USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 731 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 7 HIS :FLIP no HD1:sc= 0.282 F(o=-1.3,f=0.51) USER MOD Set 1.2: A 9 SER OG : rot 21:sc= 0.225 USER MOD Single : A 1 MET CE :methyl 163:sc= -0.0445 (180deg=-0.366) USER MOD Single : A 1 MET N :NH3+ 147:sc= 1.39 (180deg=1) USER MOD Single : A 3 HIS : no HD1:sc= -0.0856 X(o=-0.086,f=-0.086) USER MOD Single : A 4 HIS : no HD1:sc= -0.458 K(o=-0.46,f=-1.1) USER MOD Single : A 5 HIS : no HD1:sc= -0.186 X(o=-0.19,f=-0.2) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 14 SER OG : rot 35:sc= 0.0715 USER MOD Single : A 16 HIS : no HD1:sc= 0.018 K(o=0.018,f=-4.8!) USER MOD Single : A 18 HIS : no HE2:sc= 0.992 K(o=0.99,f=-4.8!) USER MOD Single : A 20 THR OG1 : rot 180:sc=-1.69e-05 USER MOD Single : A 21 HIS : no HD1:sc= -0.146 X(o=-0.15,f=-0.23) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0.00898 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 MET CE :methyl 159:sc= -0.139 (180deg=-0.684) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0132 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -166:sc=-0.00876 (180deg=-0.197) USER MOD Single : A 49 LYS NZ :NH3+ 166:sc= -0.0231 (180deg=-0.21) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.475 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0236 USER MOD Single : A 57 MET CE :methyl -144:sc= -3! (180deg=-3.65!) USER MOD Single : A 62 TYR OH : rot 50:sc= 1.28 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -0.196 USER MOD Single : A 68 LYS NZ :NH3+ 140:sc= 0.575 (180deg=-0.106) USER MOD Single : A 73 SER OG : rot -45:sc= 0.0254 USER MOD Single : A 76 SER OG : rot -81:sc= 1.28 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -1.17 X(o=-1.2,f=-0.98) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.470 4.916 -25.612 1.00 22.12 N ATOM 2 CA MET A 1 -16.524 5.259 -24.173 1.00 74.52 C ATOM 3 C MET A 1 -16.629 3.993 -23.334 1.00 43.15 C ATOM 4 O MET A 1 -17.203 2.993 -23.766 1.00 4.35 O ATOM 5 CB MET A 1 -17.706 6.191 -23.880 1.00 20.15 C ATOM 6 CG MET A 1 -17.535 7.598 -24.443 1.00 34.34 C ATOM 7 SD MET A 1 -17.560 7.658 -26.248 1.00 61.23 S ATOM 8 CE MET A 1 -19.269 7.230 -26.580 1.00 32.01 C ATOM 0 H1 MET A 1 -16.941 5.661 -26.164 1.00 22.12 H new ATOM 0 H2 MET A 1 -15.478 4.836 -25.913 1.00 22.12 H new ATOM 0 H3 MET A 1 -16.954 4.009 -25.771 1.00 22.12 H new ATOM 0 HA MET A 1 -15.604 5.781 -23.910 1.00 74.52 H new ATOM 0 HB2 MET A 1 -18.614 5.752 -24.294 1.00 20.15 H new ATOM 0 HB3 MET A 1 -17.846 6.256 -22.801 1.00 20.15 H new ATOM 0 HG2 MET A 1 -18.330 8.235 -24.055 1.00 34.34 H new ATOM 0 HG3 MET A 1 -16.592 8.012 -24.086 1.00 34.34 H new ATOM 0 HE1 MET A 1 -19.523 7.513 -27.602 1.00 32.01 H new ATOM 0 HE2 MET A 1 -19.406 6.156 -26.456 1.00 32.01 H new ATOM 0 HE3 MET A 1 -19.919 7.761 -25.884 1.00 32.01 H new ATOM 20 N GLY A 2 -16.067 4.038 -22.135 1.00 41.22 N ATOM 21 CA GLY A 2 -16.010 2.860 -21.293 1.00 75.21 C ATOM 22 C GLY A 2 -14.615 2.276 -21.275 1.00 21.51 C ATOM 23 O GLY A 2 -13.842 2.503 -22.208 1.00 14.14 O ATOM 0 H GLY A 2 -15.647 4.874 -21.728 1.00 41.22 H new ATOM 0 HA2 GLY A 2 -16.313 3.118 -20.278 1.00 75.21 H new ATOM 0 HA3 GLY A 2 -16.716 2.114 -21.657 1.00 75.21 H new ATOM 27 N HIS A 3 -14.270 1.547 -20.220 1.00 53.04 N ATOM 28 CA HIS A 3 -12.932 0.973 -20.105 1.00 33.45 C ATOM 29 C HIS A 3 -12.991 -0.433 -19.517 1.00 12.45 C ATOM 30 O HIS A 3 -13.207 -0.598 -18.317 1.00 32.01 O ATOM 31 CB HIS A 3 -12.030 1.839 -19.213 1.00 13.30 C ATOM 32 CG HIS A 3 -11.955 3.284 -19.606 1.00 55.53 C ATOM 33 ND1 HIS A 3 -12.626 4.278 -18.930 1.00 21.41 N ATOM 34 CD2 HIS A 3 -11.273 3.900 -20.599 1.00 43.44 C ATOM 35 CE1 HIS A 3 -12.361 5.442 -19.490 1.00 74.43 C ATOM 36 NE2 HIS A 3 -11.542 5.244 -20.504 1.00 55.12 N ATOM 0 H HIS A 3 -14.891 1.340 -19.438 1.00 53.04 H new ATOM 0 HA HIS A 3 -12.515 0.933 -21.111 1.00 33.45 H new ATOM 0 HB2 HIS A 3 -12.390 1.775 -18.186 1.00 13.30 H new ATOM 0 HB3 HIS A 3 -11.023 1.421 -19.225 1.00 13.30 H new ATOM 0 HD2 HIS A 3 -10.636 3.424 -21.330 1.00 43.44 H new ATOM 0 HE1 HIS A 3 -12.750 6.398 -19.171 1.00 74.43 H new ATOM 0 HE2 HIS A 3 -11.169 5.969 -21.117 1.00 55.12 H new ATOM 45 N HIS A 4 -12.801 -1.447 -20.351 1.00 53.41 N ATOM 46 CA HIS A 4 -12.664 -2.806 -19.839 1.00 63.41 C ATOM 47 C HIS A 4 -11.196 -3.082 -19.515 1.00 43.01 C ATOM 48 O HIS A 4 -10.522 -3.881 -20.160 1.00 74.43 O ATOM 49 CB HIS A 4 -13.259 -3.864 -20.796 1.00 52.24 C ATOM 50 CG HIS A 4 -12.648 -3.929 -22.170 1.00 71.32 C ATOM 51 ND1 HIS A 4 -11.663 -4.829 -22.516 1.00 70.13 N ATOM 52 CD2 HIS A 4 -12.913 -3.221 -23.293 1.00 1.24 C ATOM 53 CE1 HIS A 4 -11.347 -4.668 -23.785 1.00 12.34 C ATOM 54 NE2 HIS A 4 -12.091 -3.701 -24.281 1.00 25.23 N ATOM 0 H HIS A 4 -12.739 -1.359 -21.365 1.00 53.41 H new ATOM 0 HA HIS A 4 -13.247 -2.887 -18.921 1.00 63.41 H new ATOM 0 HB2 HIS A 4 -13.160 -4.844 -20.329 1.00 52.24 H new ATOM 0 HB3 HIS A 4 -14.326 -3.669 -20.903 1.00 52.24 H new ATOM 0 HD2 HIS A 4 -13.637 -2.426 -23.393 1.00 1.24 H new ATOM 0 HE1 HIS A 4 -10.603 -5.234 -24.327 1.00 12.34 H new ATOM 0 HE2 HIS A 4 -12.061 -3.364 -25.243 1.00 25.23 H new ATOM 63 N HIS A 5 -10.708 -2.380 -18.505 1.00 53.42 N ATOM 64 CA HIS A 5 -9.302 -2.435 -18.124 1.00 1.15 C ATOM 65 C HIS A 5 -9.093 -3.450 -16.998 1.00 4.32 C ATOM 66 O HIS A 5 -7.977 -3.643 -16.514 1.00 24.02 O ATOM 67 CB HIS A 5 -8.846 -1.034 -17.692 1.00 30.34 C ATOM 68 CG HIS A 5 -7.379 -0.910 -17.396 1.00 53.31 C ATOM 69 ND1 HIS A 5 -6.897 -0.456 -16.189 1.00 54.33 N ATOM 70 CD2 HIS A 5 -6.289 -1.156 -18.162 1.00 45.24 C ATOM 71 CE1 HIS A 5 -5.580 -0.424 -16.224 1.00 54.54 C ATOM 72 NE2 HIS A 5 -5.182 -0.844 -17.410 1.00 23.14 N ATOM 0 H HIS A 5 -11.272 -1.757 -17.926 1.00 53.42 H new ATOM 0 HA HIS A 5 -8.704 -2.758 -18.976 1.00 1.15 H new ATOM 0 HB2 HIS A 5 -9.104 -0.325 -18.479 1.00 30.34 H new ATOM 0 HB3 HIS A 5 -9.407 -0.743 -16.804 1.00 30.34 H new ATOM 0 HD2 HIS A 5 -6.290 -1.528 -19.176 1.00 45.24 H new ATOM 0 HE1 HIS A 5 -4.935 -0.107 -15.418 1.00 54.54 H new ATOM 0 HE2 HIS A 5 -4.213 -0.924 -17.718 1.00 23.14 H new ATOM 81 N HIS A 6 -10.170 -4.109 -16.597 1.00 45.40 N ATOM 82 CA HIS A 6 -10.110 -5.063 -15.504 1.00 74.22 C ATOM 83 C HIS A 6 -9.796 -6.461 -16.026 1.00 33.31 C ATOM 84 O HIS A 6 -10.432 -6.942 -16.961 1.00 44.15 O ATOM 85 CB HIS A 6 -11.424 -5.063 -14.715 1.00 21.14 C ATOM 86 CG HIS A 6 -11.410 -5.975 -13.529 1.00 4.44 C ATOM 87 ND1 HIS A 6 -10.626 -5.758 -12.420 1.00 71.13 N ATOM 88 CD2 HIS A 6 -12.089 -7.118 -13.288 1.00 0.13 C ATOM 89 CE1 HIS A 6 -10.820 -6.729 -11.551 1.00 11.44 C ATOM 90 NE2 HIS A 6 -11.706 -7.569 -12.052 1.00 51.22 N ATOM 0 H HIS A 6 -11.095 -3.999 -17.013 1.00 45.40 H new ATOM 0 HA HIS A 6 -9.307 -4.762 -14.831 1.00 74.22 H new ATOM 0 HB2 HIS A 6 -11.637 -4.048 -14.380 1.00 21.14 H new ATOM 0 HB3 HIS A 6 -12.237 -5.357 -15.379 1.00 21.14 H new ATOM 0 HD2 HIS A 6 -12.802 -7.589 -13.948 1.00 0.13 H new ATOM 0 HE1 HIS A 6 -10.335 -6.822 -10.590 1.00 11.44 H new ATOM 0 HE2 HIS A 6 -12.049 -8.414 -11.595 1.00 51.22 H new ATOM 99 N HIS A 7 -8.811 -7.098 -15.416 1.00 34.15 N ATOM 100 CA HIS A 7 -8.387 -8.435 -15.807 1.00 65.00 C ATOM 101 C HIS A 7 -8.014 -9.221 -14.551 1.00 31.54 C ATOM 102 O HIS A 7 -7.458 -8.651 -13.615 1.00 32.25 O ATOM 103 CB HIS A 7 -7.193 -8.330 -16.771 1.00 75.41 C ATOM 104 CG HIS A 7 -6.789 -9.626 -17.408 1.00 10.02 C ATOM 105 ND1 HIS A 7 -5.764 -10.470 -17.136 1.00 55.04 N flip ATOM 106 CD2 HIS A 7 -7.455 -10.176 -18.477 1.00 53.41 C flip ATOM 107 CE1 HIS A 7 -5.832 -11.501 -18.040 1.00 63.14 C flip ATOM 108 NE2 HIS A 7 -6.862 -11.297 -18.835 1.00 43.31 N flip ATOM 0 H HIS A 7 -8.282 -6.705 -14.637 1.00 34.15 H new ATOM 0 HA HIS A 7 -9.194 -8.957 -16.320 1.00 65.00 H new ATOM 0 HB2 HIS A 7 -7.439 -7.615 -17.556 1.00 75.41 H new ATOM 0 HB3 HIS A 7 -6.339 -7.925 -16.228 1.00 75.41 H new ATOM 0 HD2 HIS A 7 -8.329 -9.755 -18.951 1.00 53.41 H new ATOM 0 HE1 HIS A 7 -5.154 -12.340 -18.091 1.00 63.14 H new ATOM 0 HE2 HIS A 7 -7.152 -11.905 -19.600 1.00 43.31 H new ATOM 117 N HIS A 8 -8.332 -10.511 -14.515 1.00 2.53 N ATOM 118 CA HIS A 8 -8.089 -11.318 -13.317 1.00 24.33 C ATOM 119 C HIS A 8 -6.639 -11.784 -13.230 1.00 4.02 C ATOM 120 O HIS A 8 -5.839 -11.192 -12.502 1.00 64.31 O ATOM 121 CB HIS A 8 -9.026 -12.533 -13.265 1.00 33.11 C ATOM 122 CG HIS A 8 -10.379 -12.238 -12.698 1.00 25.30 C ATOM 123 ND1 HIS A 8 -11.532 -12.220 -13.454 1.00 72.24 N ATOM 124 CD2 HIS A 8 -10.763 -11.977 -11.426 1.00 43.24 C ATOM 125 CE1 HIS A 8 -12.564 -11.958 -12.672 1.00 50.53 C ATOM 126 NE2 HIS A 8 -12.124 -11.808 -11.435 1.00 1.11 N ATOM 0 H HIS A 8 -8.755 -11.019 -15.292 1.00 2.53 H new ATOM 0 HA HIS A 8 -8.294 -10.675 -12.461 1.00 24.33 H new ATOM 0 HB2 HIS A 8 -9.145 -12.930 -14.273 1.00 33.11 H new ATOM 0 HB3 HIS A 8 -8.557 -13.315 -12.668 1.00 33.11 H new ATOM 0 HD2 HIS A 8 -10.117 -11.914 -10.563 1.00 43.24 H new ATOM 0 HE1 HIS A 8 -13.593 -11.880 -12.990 1.00 50.53 H new ATOM 0 HE2 HIS A 8 -12.702 -11.601 -10.620 1.00 1.11 H new ATOM 135 N SER A 9 -6.315 -12.828 -13.998 1.00 33.30 N ATOM 136 CA SER A 9 -5.017 -13.508 -13.924 1.00 71.42 C ATOM 137 C SER A 9 -4.918 -14.340 -12.645 1.00 35.13 C ATOM 138 O SER A 9 -5.715 -14.187 -11.721 1.00 23.52 O ATOM 139 CB SER A 9 -3.846 -12.519 -13.997 1.00 35.33 C ATOM 140 OG SER A 9 -3.916 -11.726 -15.169 1.00 11.02 O ATOM 0 H SER A 9 -6.947 -13.228 -14.691 1.00 33.30 H new ATOM 0 HA SER A 9 -4.950 -14.168 -14.789 1.00 71.42 H new ATOM 0 HB2 SER A 9 -3.856 -11.875 -13.118 1.00 35.33 H new ATOM 0 HB3 SER A 9 -2.903 -13.066 -13.981 1.00 35.33 H new ATOM 0 HG SER A 9 -4.834 -11.729 -15.512 1.00 11.02 H new ATOM 146 N HIS A 10 -3.961 -15.248 -12.615 1.00 23.12 N ATOM 147 CA HIS A 10 -3.705 -16.048 -11.428 1.00 0.24 C ATOM 148 C HIS A 10 -2.241 -15.943 -11.045 1.00 5.11 C ATOM 149 O HIS A 10 -1.436 -15.386 -11.794 1.00 1.30 O ATOM 150 CB HIS A 10 -4.074 -17.512 -11.661 1.00 64.40 C ATOM 151 CG HIS A 10 -5.531 -17.738 -11.909 1.00 31.43 C ATOM 152 ND1 HIS A 10 -6.026 -18.215 -13.103 1.00 33.05 N ATOM 153 CD2 HIS A 10 -6.605 -17.562 -11.106 1.00 14.51 C ATOM 154 CE1 HIS A 10 -7.338 -18.321 -13.025 1.00 55.01 C ATOM 155 NE2 HIS A 10 -7.713 -17.928 -11.821 1.00 15.41 N ATOM 0 H HIS A 10 -3.345 -15.452 -13.402 1.00 23.12 H new ATOM 0 HA HIS A 10 -4.325 -15.664 -10.617 1.00 0.24 H new ATOM 0 HB2 HIS A 10 -3.508 -17.888 -12.513 1.00 64.40 H new ATOM 0 HB3 HIS A 10 -3.768 -18.096 -10.793 1.00 64.40 H new ATOM 0 HD2 HIS A 10 -6.591 -17.200 -10.089 1.00 14.51 H new ATOM 0 HE1 HIS A 10 -7.993 -18.669 -13.810 1.00 55.01 H new ATOM 0 HE2 HIS A 10 -8.674 -17.902 -11.479 1.00 15.41 H new ATOM 164 N GLY A 11 -1.898 -16.477 -9.890 1.00 45.01 N ATOM 165 CA GLY A 11 -0.527 -16.439 -9.442 1.00 43.23 C ATOM 166 C GLY A 11 -0.400 -15.894 -8.038 1.00 4.23 C ATOM 167 O GLY A 11 -0.992 -14.864 -7.706 1.00 12.15 O ATOM 0 H GLY A 11 -2.546 -16.938 -9.251 1.00 45.01 H new ATOM 0 HA2 GLY A 11 -0.106 -17.444 -9.479 1.00 43.23 H new ATOM 0 HA3 GLY A 11 0.059 -15.823 -10.124 1.00 43.23 H new ATOM 171 N ASP A 12 0.365 -16.587 -7.213 1.00 61.32 N ATOM 172 CA ASP A 12 0.591 -16.159 -5.845 1.00 3.44 C ATOM 173 C ASP A 12 1.844 -15.295 -5.781 1.00 10.11 C ATOM 174 O ASP A 12 2.917 -15.757 -5.401 1.00 73.51 O ATOM 175 CB ASP A 12 0.719 -17.374 -4.924 1.00 23.15 C ATOM 176 CG ASP A 12 0.867 -16.991 -3.467 1.00 71.03 C ATOM 177 OD1 ASP A 12 -0.114 -16.493 -2.876 1.00 74.44 O ATOM 178 OD2 ASP A 12 1.965 -17.196 -2.904 1.00 2.10 O ATOM 0 H ASP A 12 0.842 -17.452 -7.469 1.00 61.32 H new ATOM 0 HA ASP A 12 -0.260 -15.567 -5.506 1.00 3.44 H new ATOM 0 HB2 ASP A 12 -0.160 -18.008 -5.041 1.00 23.15 H new ATOM 0 HB3 ASP A 12 1.582 -17.966 -5.229 1.00 23.15 H new ATOM 183 N ASP A 13 1.708 -14.050 -6.210 1.00 14.12 N ATOM 184 CA ASP A 13 2.843 -13.137 -6.288 1.00 15.41 C ATOM 185 C ASP A 13 2.376 -11.686 -6.234 1.00 10.13 C ATOM 186 O ASP A 13 3.021 -10.784 -6.778 1.00 22.52 O ATOM 187 CB ASP A 13 3.639 -13.390 -7.577 1.00 43.13 C ATOM 188 CG ASP A 13 2.815 -13.204 -8.842 1.00 50.02 C ATOM 189 OD1 ASP A 13 2.166 -14.175 -9.282 1.00 23.44 O ATOM 190 OD2 ASP A 13 2.829 -12.094 -9.412 1.00 53.44 O ATOM 0 H ASP A 13 0.821 -13.646 -6.511 1.00 14.12 H new ATOM 0 HA ASP A 13 3.490 -13.321 -5.430 1.00 15.41 H new ATOM 0 HB2 ASP A 13 4.494 -12.714 -7.606 1.00 43.13 H new ATOM 0 HB3 ASP A 13 4.036 -14.405 -7.557 1.00 43.13 H new ATOM 195 N SER A 14 1.262 -11.459 -5.559 1.00 4.42 N ATOM 196 CA SER A 14 0.689 -10.128 -5.486 1.00 10.31 C ATOM 197 C SER A 14 0.199 -9.802 -4.079 1.00 22.54 C ATOM 198 O SER A 14 -0.661 -10.497 -3.532 1.00 73.02 O ATOM 199 CB SER A 14 -0.462 -10.010 -6.488 1.00 55.45 C ATOM 200 OG SER A 14 -1.353 -11.108 -6.377 1.00 33.02 O ATOM 0 H SER A 14 0.739 -12.176 -5.056 1.00 4.42 H new ATOM 0 HA SER A 14 1.468 -9.408 -5.736 1.00 10.31 H new ATOM 0 HB2 SER A 14 -1.004 -9.080 -6.316 1.00 55.45 H new ATOM 0 HB3 SER A 14 -0.062 -9.963 -7.501 1.00 55.45 H new ATOM 0 HG SER A 14 -1.412 -11.388 -5.440 1.00 33.02 H new ATOM 206 N VAL A 15 0.764 -8.761 -3.483 1.00 21.01 N ATOM 207 CA VAL A 15 0.221 -8.235 -2.243 1.00 63.02 C ATOM 208 C VAL A 15 -0.919 -7.285 -2.578 1.00 5.31 C ATOM 209 O VAL A 15 -0.756 -6.344 -3.360 1.00 32.33 O ATOM 210 CB VAL A 15 1.286 -7.531 -1.364 1.00 60.24 C ATOM 211 CG1 VAL A 15 2.352 -8.523 -0.929 1.00 21.35 C ATOM 212 CG2 VAL A 15 1.923 -6.349 -2.083 1.00 33.24 C ATOM 0 H VAL A 15 1.587 -8.271 -3.834 1.00 21.01 H new ATOM 0 HA VAL A 15 -0.144 -9.074 -1.650 1.00 63.02 H new ATOM 0 HB VAL A 15 0.779 -7.143 -0.481 1.00 60.24 H new ATOM 0 HG11 VAL A 15 3.093 -8.014 -0.312 1.00 21.35 H new ATOM 0 HG12 VAL A 15 1.890 -9.325 -0.353 1.00 21.35 H new ATOM 0 HG13 VAL A 15 2.839 -8.943 -1.809 1.00 21.35 H new ATOM 0 HG21 VAL A 15 2.663 -5.884 -1.433 1.00 33.24 H new ATOM 0 HG22 VAL A 15 2.408 -6.697 -2.995 1.00 33.24 H new ATOM 0 HG23 VAL A 15 1.154 -5.620 -2.337 1.00 33.24 H new ATOM 222 N HIS A 16 -2.089 -7.565 -2.037 1.00 64.34 N ATOM 223 CA HIS A 16 -3.278 -6.823 -2.407 1.00 21.13 C ATOM 224 C HIS A 16 -3.449 -5.609 -1.509 1.00 72.32 C ATOM 225 O HIS A 16 -4.003 -5.702 -0.412 1.00 11.31 O ATOM 226 CB HIS A 16 -4.507 -7.727 -2.335 1.00 43.40 C ATOM 227 CG HIS A 16 -5.566 -7.377 -3.331 1.00 53.34 C ATOM 228 ND1 HIS A 16 -6.800 -7.981 -3.363 1.00 11.31 N ATOM 229 CD2 HIS A 16 -5.557 -6.496 -4.357 1.00 71.35 C ATOM 230 CE1 HIS A 16 -7.501 -7.492 -4.365 1.00 61.32 C ATOM 231 NE2 HIS A 16 -6.773 -6.585 -4.986 1.00 23.43 N ATOM 0 H HIS A 16 -2.241 -8.297 -1.343 1.00 64.34 H new ATOM 0 HA HIS A 16 -3.167 -6.473 -3.433 1.00 21.13 H new ATOM 0 HB2 HIS A 16 -4.198 -8.760 -2.494 1.00 43.40 H new ATOM 0 HB3 HIS A 16 -4.930 -7.672 -1.332 1.00 43.40 H new ATOM 0 HD2 HIS A 16 -4.742 -5.842 -4.631 1.00 71.35 H new ATOM 0 HE1 HIS A 16 -8.505 -7.785 -4.633 1.00 61.32 H new ATOM 0 HE2 HIS A 16 -7.065 -6.041 -5.798 1.00 23.43 H new ATOM 240 N LEU A 17 -2.958 -4.477 -1.978 1.00 3.22 N ATOM 241 CA LEU A 17 -3.001 -3.246 -1.210 1.00 34.42 C ATOM 242 C LEU A 17 -4.124 -2.347 -1.712 1.00 33.24 C ATOM 243 O LEU A 17 -4.188 -2.017 -2.896 1.00 31.41 O ATOM 244 CB LEU A 17 -1.652 -2.525 -1.297 1.00 64.34 C ATOM 245 CG LEU A 17 -0.457 -3.322 -0.765 1.00 62.52 C ATOM 246 CD1 LEU A 17 0.842 -2.563 -0.993 1.00 22.21 C ATOM 247 CD2 LEU A 17 -0.641 -3.630 0.714 1.00 64.34 C ATOM 0 H LEU A 17 -2.521 -4.384 -2.895 1.00 3.22 H new ATOM 0 HA LEU A 17 -3.198 -3.489 -0.166 1.00 34.42 H new ATOM 0 HB2 LEU A 17 -1.462 -2.266 -2.339 1.00 64.34 H new ATOM 0 HB3 LEU A 17 -1.721 -1.589 -0.743 1.00 64.34 H new ATOM 0 HG LEU A 17 -0.402 -4.263 -1.312 1.00 62.52 H new ATOM 0 HD11 LEU A 17 1.677 -3.147 -0.608 1.00 22.21 H new ATOM 0 HD12 LEU A 17 0.981 -2.392 -2.060 1.00 22.21 H new ATOM 0 HD13 LEU A 17 0.800 -1.605 -0.475 1.00 22.21 H new ATOM 0 HD21 LEU A 17 0.216 -4.197 1.077 1.00 64.34 H new ATOM 0 HD22 LEU A 17 -0.722 -2.697 1.272 1.00 64.34 H new ATOM 0 HD23 LEU A 17 -1.549 -4.217 0.853 1.00 64.34 H new ATOM 259 N HIS A 18 -5.020 -1.974 -0.813 1.00 54.23 N ATOM 260 CA HIS A 18 -6.129 -1.101 -1.170 1.00 12.43 C ATOM 261 C HIS A 18 -5.785 0.330 -0.776 1.00 74.21 C ATOM 262 O HIS A 18 -5.760 0.659 0.407 1.00 75.44 O ATOM 263 CB HIS A 18 -7.426 -1.533 -0.469 1.00 1.35 C ATOM 264 CG HIS A 18 -7.686 -3.010 -0.499 1.00 65.31 C ATOM 265 ND1 HIS A 18 -7.780 -3.749 -1.656 1.00 34.12 N ATOM 266 CD2 HIS A 18 -7.869 -3.888 0.517 1.00 2.05 C ATOM 267 CE1 HIS A 18 -8.011 -5.010 -1.353 1.00 52.22 C ATOM 268 NE2 HIS A 18 -8.070 -5.125 -0.043 1.00 62.13 N ATOM 0 H HIS A 18 -5.003 -2.260 0.166 1.00 54.23 H new ATOM 0 HA HIS A 18 -6.290 -1.166 -2.246 1.00 12.43 H new ATOM 0 HB2 HIS A 18 -7.390 -1.204 0.570 1.00 1.35 H new ATOM 0 HB3 HIS A 18 -8.266 -1.019 -0.937 1.00 1.35 H new ATOM 0 HD1 HIS A 18 -7.685 -3.378 -2.601 1.00 34.12 H new ATOM 0 HD2 HIS A 18 -7.859 -3.657 1.572 1.00 2.05 H new ATOM 0 HE1 HIS A 18 -8.132 -5.816 -2.062 1.00 52.22 H new ATOM 277 N ILE A 19 -5.504 1.164 -1.764 1.00 35.15 N ATOM 278 CA ILE A 19 -5.073 2.535 -1.516 1.00 53.04 C ATOM 279 C ILE A 19 -6.274 3.434 -1.230 1.00 11.31 C ATOM 280 O ILE A 19 -7.285 3.371 -1.928 1.00 70.44 O ATOM 281 CB ILE A 19 -4.285 3.101 -2.717 1.00 30.50 C ATOM 282 CG1 ILE A 19 -3.106 2.182 -3.057 1.00 64.21 C ATOM 283 CG2 ILE A 19 -3.791 4.513 -2.411 1.00 43.14 C ATOM 284 CD1 ILE A 19 -2.336 2.607 -4.288 1.00 43.34 C ATOM 0 H ILE A 19 -5.566 0.916 -2.751 1.00 35.15 H new ATOM 0 HA ILE A 19 -4.418 2.518 -0.645 1.00 53.04 H new ATOM 0 HB ILE A 19 -4.949 3.148 -3.580 1.00 30.50 H new ATOM 0 HG12 ILE A 19 -2.425 2.151 -2.207 1.00 64.21 H new ATOM 0 HG13 ILE A 19 -3.478 1.168 -3.205 1.00 64.21 H new ATOM 0 HG21 ILE A 19 -3.237 4.898 -3.267 1.00 43.14 H new ATOM 0 HG22 ILE A 19 -4.644 5.161 -2.209 1.00 43.14 H new ATOM 0 HG23 ILE A 19 -3.139 4.489 -1.538 1.00 43.14 H new ATOM 0 HD11 ILE A 19 -1.518 1.909 -4.464 1.00 43.34 H new ATOM 0 HD12 ILE A 19 -3.002 2.611 -5.151 1.00 43.34 H new ATOM 0 HD13 ILE A 19 -1.932 3.608 -4.137 1.00 43.34 H new ATOM 296 N THR A 20 -6.162 4.252 -0.193 1.00 23.35 N ATOM 297 CA THR A 20 -7.223 5.176 0.174 1.00 41.50 C ATOM 298 C THR A 20 -6.632 6.500 0.670 1.00 54.53 C ATOM 299 O THR A 20 -5.601 6.518 1.345 1.00 22.33 O ATOM 300 CB THR A 20 -8.131 4.561 1.262 1.00 41.20 C ATOM 301 OG1 THR A 20 -8.551 3.255 0.849 1.00 3.43 O ATOM 302 CG2 THR A 20 -9.360 5.427 1.507 1.00 31.22 C ATOM 0 H THR A 20 -5.341 4.293 0.412 1.00 23.35 H new ATOM 0 HA THR A 20 -7.826 5.370 -0.713 1.00 41.50 H new ATOM 0 HB THR A 20 -7.560 4.500 2.189 1.00 41.20 H new ATOM 0 HG1 THR A 20 -9.126 2.863 1.539 1.00 3.43 H new ATOM 0 HG21 THR A 20 -9.980 4.969 2.278 1.00 31.22 H new ATOM 0 HG22 THR A 20 -9.047 6.418 1.835 1.00 31.22 H new ATOM 0 HG23 THR A 20 -9.933 5.514 0.584 1.00 31.22 H new ATOM 310 N HIS A 21 -7.283 7.606 0.324 1.00 60.00 N ATOM 311 CA HIS A 21 -6.805 8.931 0.705 1.00 53.44 C ATOM 312 C HIS A 21 -7.483 9.364 2.006 1.00 3.33 C ATOM 313 O HIS A 21 -8.425 8.712 2.457 1.00 50.01 O ATOM 314 CB HIS A 21 -7.102 9.933 -0.417 1.00 33.01 C ATOM 315 CG HIS A 21 -5.945 10.823 -0.768 1.00 2.43 C ATOM 316 ND1 HIS A 21 -6.083 12.170 -1.017 1.00 11.24 N ATOM 317 CD2 HIS A 21 -4.631 10.545 -0.948 1.00 2.41 C ATOM 318 CE1 HIS A 21 -4.911 12.680 -1.332 1.00 12.55 C ATOM 319 NE2 HIS A 21 -4.009 11.718 -1.299 1.00 2.25 N ATOM 0 H HIS A 21 -8.145 7.611 -0.221 1.00 60.00 H new ATOM 0 HA HIS A 21 -5.727 8.899 0.864 1.00 53.44 H new ATOM 0 HB2 HIS A 21 -7.407 9.384 -1.308 1.00 33.01 H new ATOM 0 HB3 HIS A 21 -7.947 10.554 -0.120 1.00 33.01 H new ATOM 0 HD2 HIS A 21 -4.160 9.580 -0.836 1.00 2.41 H new ATOM 0 HE1 HIS A 21 -4.720 13.714 -1.577 1.00 12.55 H new ATOM 0 HE2 HIS A 21 -3.015 11.827 -1.501 1.00 2.25 H new ATOM 328 N ALA A 22 -6.995 10.436 2.620 1.00 22.31 N ATOM 329 CA ALA A 22 -7.588 10.923 3.861 1.00 61.45 C ATOM 330 C ALA A 22 -8.921 11.612 3.602 1.00 51.41 C ATOM 331 O ALA A 22 -9.945 11.225 4.164 1.00 24.14 O ATOM 332 CB ALA A 22 -6.637 11.864 4.581 1.00 42.22 C ATOM 0 H ALA A 22 -6.200 10.979 2.284 1.00 22.31 H new ATOM 0 HA ALA A 22 -7.772 10.060 4.501 1.00 61.45 H new ATOM 0 HB1 ALA A 22 -7.101 12.214 5.503 1.00 42.22 H new ATOM 0 HB2 ALA A 22 -5.713 11.337 4.817 1.00 42.22 H new ATOM 0 HB3 ALA A 22 -6.415 12.717 3.940 1.00 42.22 H new ATOM 338 N ASN A 23 -8.899 12.633 2.751 1.00 43.42 N ATOM 339 CA ASN A 23 -10.111 13.378 2.426 1.00 4.22 C ATOM 340 C ASN A 23 -11.032 12.535 1.557 1.00 24.23 C ATOM 341 O ASN A 23 -12.244 12.475 1.780 1.00 45.42 O ATOM 342 CB ASN A 23 -9.762 14.684 1.716 1.00 54.21 C ATOM 343 CG ASN A 23 -10.983 15.551 1.475 1.00 72.21 C ATOM 344 OD1 ASN A 23 -11.599 15.499 0.412 1.00 53.25 O ATOM 345 ND2 ASN A 23 -11.352 16.335 2.473 1.00 73.04 N ATOM 0 H ASN A 23 -8.059 12.963 2.275 1.00 43.42 H new ATOM 0 HA ASN A 23 -10.629 13.617 3.355 1.00 4.22 H new ATOM 0 HB2 ASN A 23 -9.038 15.238 2.314 1.00 54.21 H new ATOM 0 HB3 ASN A 23 -9.284 14.460 0.762 1.00 54.21 H new ATOM 0 HD21 ASN A 23 -12.177 16.928 2.378 1.00 73.04 H new ATOM 0 HD22 ASN A 23 -10.812 16.347 3.338 1.00 73.04 H new ATOM 352 N LEU A 24 -10.455 11.886 0.555 1.00 15.41 N ATOM 353 CA LEU A 24 -11.196 10.930 -0.250 1.00 0.50 C ATOM 354 C LEU A 24 -11.276 9.604 0.493 1.00 62.32 C ATOM 355 O LEU A 24 -10.480 8.696 0.255 1.00 62.23 O ATOM 356 CB LEU A 24 -10.542 10.733 -1.621 1.00 50.25 C ATOM 357 CG LEU A 24 -10.466 11.986 -2.502 1.00 63.42 C ATOM 358 CD1 LEU A 24 -9.763 11.674 -3.817 1.00 70.44 C ATOM 359 CD2 LEU A 24 -11.862 12.549 -2.757 1.00 24.12 C ATOM 0 H LEU A 24 -9.479 12.005 0.282 1.00 15.41 H new ATOM 0 HA LEU A 24 -12.201 11.318 -0.417 1.00 0.50 H new ATOM 0 HB2 LEU A 24 -9.531 10.354 -1.471 1.00 50.25 H new ATOM 0 HB3 LEU A 24 -11.094 9.964 -2.161 1.00 50.25 H new ATOM 0 HG LEU A 24 -9.884 12.742 -1.974 1.00 63.42 H new ATOM 0 HD11 LEU A 24 -9.719 12.575 -4.429 1.00 70.44 H new ATOM 0 HD12 LEU A 24 -8.751 11.323 -3.614 1.00 70.44 H new ATOM 0 HD13 LEU A 24 -10.315 10.900 -4.350 1.00 70.44 H new ATOM 0 HD21 LEU A 24 -11.787 13.438 -3.384 1.00 24.12 H new ATOM 0 HD22 LEU A 24 -12.470 11.799 -3.262 1.00 24.12 H new ATOM 0 HD23 LEU A 24 -12.327 12.813 -1.807 1.00 24.12 H new ATOM 371 N LYS A 25 -12.222 9.518 1.415 1.00 53.45 N ATOM 372 CA LYS A 25 -12.367 8.345 2.261 1.00 2.12 C ATOM 373 C LYS A 25 -12.980 7.194 1.474 1.00 72.15 C ATOM 374 O LYS A 25 -12.719 6.022 1.747 1.00 11.55 O ATOM 375 CB LYS A 25 -13.225 8.693 3.477 1.00 30.44 C ATOM 376 CG LYS A 25 -13.275 7.602 4.531 1.00 32.12 C ATOM 377 CD LYS A 25 -14.001 8.088 5.773 1.00 72.14 C ATOM 378 CE LYS A 25 -14.026 7.037 6.867 1.00 33.32 C ATOM 379 NZ LYS A 25 -14.636 7.563 8.117 1.00 2.24 N ATOM 0 H LYS A 25 -12.905 10.253 1.597 1.00 53.45 H new ATOM 0 HA LYS A 25 -11.383 8.027 2.606 1.00 2.12 H new ATOM 0 HB2 LYS A 25 -12.839 9.605 3.932 1.00 30.44 H new ATOM 0 HB3 LYS A 25 -14.240 8.908 3.143 1.00 30.44 H new ATOM 0 HG2 LYS A 25 -13.780 6.724 4.129 1.00 32.12 H new ATOM 0 HG3 LYS A 25 -12.262 7.295 4.792 1.00 32.12 H new ATOM 0 HD2 LYS A 25 -13.515 8.989 6.147 1.00 72.14 H new ATOM 0 HD3 LYS A 25 -15.023 8.363 5.511 1.00 72.14 H new ATOM 0 HE2 LYS A 25 -14.588 6.168 6.525 1.00 33.32 H new ATOM 0 HE3 LYS A 25 -13.010 6.699 7.071 1.00 33.32 H new ATOM 0 HZ1 LYS A 25 -14.637 6.818 8.843 1.00 2.24 H new ATOM 0 HZ2 LYS A 25 -14.085 8.377 8.456 1.00 2.24 H new ATOM 0 HZ3 LYS A 25 -15.614 7.862 7.927 1.00 2.24 H new ATOM 393 N SER A 26 -13.795 7.534 0.490 1.00 73.01 N ATOM 394 CA SER A 26 -14.338 6.540 -0.411 1.00 75.14 C ATOM 395 C SER A 26 -13.501 6.518 -1.685 1.00 54.31 C ATOM 396 O SER A 26 -13.985 6.810 -2.781 1.00 32.04 O ATOM 397 CB SER A 26 -15.809 6.831 -0.726 1.00 20.11 C ATOM 398 OG SER A 26 -16.428 5.723 -1.362 1.00 11.21 O ATOM 0 H SER A 26 -14.093 8.490 0.297 1.00 73.01 H new ATOM 0 HA SER A 26 -14.297 5.560 0.065 1.00 75.14 H new ATOM 0 HB2 SER A 26 -16.341 7.068 0.196 1.00 20.11 H new ATOM 0 HB3 SER A 26 -15.879 7.708 -1.369 1.00 20.11 H new ATOM 0 HG SER A 26 -17.366 5.936 -1.550 1.00 11.21 H new ATOM 404 N PHE A 27 -12.226 6.209 -1.524 1.00 62.03 N ATOM 405 CA PHE A 27 -11.305 6.150 -2.641 1.00 51.01 C ATOM 406 C PHE A 27 -10.986 4.697 -2.966 1.00 73.42 C ATOM 407 O PHE A 27 -10.114 4.089 -2.350 1.00 51.45 O ATOM 408 CB PHE A 27 -10.028 6.930 -2.312 1.00 21.01 C ATOM 409 CG PHE A 27 -9.077 7.082 -3.469 1.00 71.23 C ATOM 410 CD1 PHE A 27 -9.489 7.676 -4.651 1.00 74.22 C ATOM 411 CD2 PHE A 27 -7.765 6.644 -3.366 1.00 10.41 C ATOM 412 CE1 PHE A 27 -8.614 7.829 -5.710 1.00 73.41 C ATOM 413 CE2 PHE A 27 -6.884 6.792 -4.423 1.00 64.15 C ATOM 414 CZ PHE A 27 -7.309 7.388 -5.596 1.00 70.11 C ATOM 0 H PHE A 27 -11.804 5.994 -0.621 1.00 62.03 H new ATOM 0 HA PHE A 27 -11.766 6.608 -3.516 1.00 51.01 H new ATOM 0 HB2 PHE A 27 -10.305 7.921 -1.952 1.00 21.01 H new ATOM 0 HB3 PHE A 27 -9.510 6.427 -1.495 1.00 21.01 H new ATOM 0 HD1 PHE A 27 -10.507 8.024 -4.746 1.00 74.22 H new ATOM 0 HD2 PHE A 27 -7.427 6.182 -2.450 1.00 10.41 H new ATOM 0 HE1 PHE A 27 -8.950 8.293 -6.626 1.00 73.41 H new ATOM 0 HE2 PHE A 27 -5.866 6.443 -4.332 1.00 64.15 H new ATOM 0 HZ PHE A 27 -6.623 7.509 -6.421 1.00 70.11 H new ATOM 424 N SER A 28 -11.725 4.138 -3.911 1.00 43.10 N ATOM 425 CA SER A 28 -11.542 2.749 -4.290 1.00 24.32 C ATOM 426 C SER A 28 -10.391 2.605 -5.284 1.00 20.43 C ATOM 427 O SER A 28 -10.601 2.571 -6.498 1.00 42.51 O ATOM 428 CB SER A 28 -12.833 2.193 -4.895 1.00 54.25 C ATOM 429 OG SER A 28 -13.939 2.404 -4.029 1.00 31.44 O ATOM 0 H SER A 28 -12.456 4.626 -4.428 1.00 43.10 H new ATOM 0 HA SER A 28 -11.295 2.179 -3.394 1.00 24.32 H new ATOM 0 HB2 SER A 28 -13.023 2.672 -5.855 1.00 54.25 H new ATOM 0 HB3 SER A 28 -12.717 1.126 -5.088 1.00 54.25 H new ATOM 0 HG SER A 28 -14.751 2.041 -4.441 1.00 31.44 H new ATOM 435 N ALA A 29 -9.171 2.568 -4.763 1.00 2.13 N ATOM 436 CA ALA A 29 -7.994 2.331 -5.585 1.00 21.42 C ATOM 437 C ALA A 29 -7.374 0.992 -5.223 1.00 0.31 C ATOM 438 O ALA A 29 -6.639 0.882 -4.243 1.00 13.01 O ATOM 439 CB ALA A 29 -6.985 3.455 -5.412 1.00 3.22 C ATOM 0 H ALA A 29 -8.972 2.700 -3.771 1.00 2.13 H new ATOM 0 HA ALA A 29 -8.294 2.307 -6.633 1.00 21.42 H new ATOM 0 HB1 ALA A 29 -6.112 3.259 -6.035 1.00 3.22 H new ATOM 0 HB2 ALA A 29 -7.439 4.400 -5.710 1.00 3.22 H new ATOM 0 HB3 ALA A 29 -6.680 3.512 -4.367 1.00 3.22 H new ATOM 445 N ASP A 30 -7.691 -0.028 -5.996 1.00 31.13 N ATOM 446 CA ASP A 30 -7.238 -1.374 -5.693 1.00 1.43 C ATOM 447 C ASP A 30 -6.055 -1.750 -6.574 1.00 12.41 C ATOM 448 O ASP A 30 -6.134 -1.668 -7.801 1.00 71.02 O ATOM 449 CB ASP A 30 -8.383 -2.364 -5.884 1.00 63.31 C ATOM 450 CG ASP A 30 -8.017 -3.750 -5.409 1.00 24.24 C ATOM 451 OD1 ASP A 30 -7.565 -3.880 -4.255 1.00 53.34 O ATOM 452 OD2 ASP A 30 -8.177 -4.719 -6.184 1.00 74.31 O ATOM 0 H ASP A 30 -8.260 0.048 -6.839 1.00 31.13 H new ATOM 0 HA ASP A 30 -6.913 -1.409 -4.653 1.00 1.43 H new ATOM 0 HB2 ASP A 30 -9.260 -2.014 -5.339 1.00 63.31 H new ATOM 0 HB3 ASP A 30 -8.657 -2.403 -6.938 1.00 63.31 H new ATOM 457 N ALA A 31 -4.957 -2.152 -5.949 1.00 75.45 N ATOM 458 CA ALA A 31 -3.744 -2.474 -6.683 1.00 40.31 C ATOM 459 C ALA A 31 -3.055 -3.705 -6.112 1.00 54.43 C ATOM 460 O ALA A 31 -3.395 -4.180 -5.027 1.00 63.41 O ATOM 461 CB ALA A 31 -2.796 -1.285 -6.674 1.00 14.23 C ATOM 0 H ALA A 31 -4.882 -2.262 -4.938 1.00 75.45 H new ATOM 0 HA ALA A 31 -4.025 -2.700 -7.712 1.00 40.31 H new ATOM 0 HB1 ALA A 31 -1.891 -1.537 -7.226 1.00 14.23 H new ATOM 0 HB2 ALA A 31 -3.281 -0.429 -7.143 1.00 14.23 H new ATOM 0 HB3 ALA A 31 -2.536 -1.035 -5.646 1.00 14.23 H new ATOM 467 N ARG A 32 -2.081 -4.212 -6.853 1.00 30.40 N ATOM 468 CA ARG A 32 -1.308 -5.366 -6.428 1.00 51.03 C ATOM 469 C ARG A 32 0.177 -5.101 -6.643 1.00 22.13 C ATOM 470 O ARG A 32 0.586 -4.651 -7.716 1.00 40.03 O ATOM 471 CB ARG A 32 -1.743 -6.620 -7.196 1.00 1.31 C ATOM 472 CG ARG A 32 -1.670 -6.465 -8.707 1.00 33.23 C ATOM 473 CD ARG A 32 -2.115 -7.725 -9.431 1.00 52.33 C ATOM 474 NE ARG A 32 -2.162 -7.513 -10.874 1.00 15.15 N ATOM 475 CZ ARG A 32 -2.823 -8.286 -11.732 1.00 55.33 C ATOM 476 NH1 ARG A 32 -3.419 -9.400 -11.320 1.00 14.24 N ATOM 477 NH2 ARG A 32 -2.860 -7.948 -13.012 1.00 5.05 N ATOM 0 H ARG A 32 -1.806 -3.836 -7.761 1.00 30.40 H new ATOM 0 HA ARG A 32 -1.488 -5.537 -5.367 1.00 51.03 H new ATOM 0 HB2 ARG A 32 -1.113 -7.457 -6.894 1.00 1.31 H new ATOM 0 HB3 ARG A 32 -2.765 -6.872 -6.914 1.00 1.31 H new ATOM 0 HG2 ARG A 32 -2.297 -5.629 -9.016 1.00 33.23 H new ATOM 0 HG3 ARG A 32 -0.648 -6.222 -8.997 1.00 33.23 H new ATOM 0 HD2 ARG A 32 -1.429 -8.541 -9.202 1.00 52.33 H new ATOM 0 HD3 ARG A 32 -3.099 -8.026 -9.072 1.00 52.33 H new ATOM 0 HE ARG A 32 -1.652 -6.715 -11.252 1.00 15.15 H new ATOM 0 HH11 ARG A 32 -3.372 -9.670 -10.337 1.00 14.24 H new ATOM 0 HH12 ARG A 32 -3.923 -9.985 -11.986 1.00 14.24 H new ATOM 0 HH21 ARG A 32 -2.385 -7.103 -13.330 1.00 5.05 H new ATOM 0 HH22 ARG A 32 -3.363 -8.532 -13.679 1.00 5.05 H new ATOM 491 N PHE A 33 0.974 -5.355 -5.622 1.00 50.41 N ATOM 492 CA PHE A 33 2.409 -5.112 -5.699 1.00 23.33 C ATOM 493 C PHE A 33 3.182 -6.354 -5.268 1.00 22.22 C ATOM 494 O PHE A 33 2.599 -7.426 -5.087 1.00 30.14 O ATOM 495 CB PHE A 33 2.801 -3.914 -4.825 1.00 73.21 C ATOM 496 CG PHE A 33 2.169 -2.617 -5.250 1.00 12.15 C ATOM 497 CD1 PHE A 33 2.701 -1.881 -6.296 1.00 42.12 C ATOM 498 CD2 PHE A 33 1.044 -2.134 -4.598 1.00 60.13 C ATOM 499 CE1 PHE A 33 2.125 -0.688 -6.686 1.00 73.02 C ATOM 500 CE2 PHE A 33 0.463 -0.941 -4.985 1.00 63.24 C ATOM 501 CZ PHE A 33 1.004 -0.217 -6.029 1.00 15.44 C ATOM 0 H PHE A 33 0.656 -5.729 -4.728 1.00 50.41 H new ATOM 0 HA PHE A 33 2.663 -4.883 -6.734 1.00 23.33 H new ATOM 0 HB2 PHE A 33 2.520 -4.123 -3.793 1.00 73.21 H new ATOM 0 HB3 PHE A 33 3.885 -3.802 -4.844 1.00 73.21 H new ATOM 0 HD1 PHE A 33 3.577 -2.245 -6.813 1.00 42.12 H new ATOM 0 HD2 PHE A 33 0.618 -2.696 -3.780 1.00 60.13 H new ATOM 0 HE1 PHE A 33 2.550 -0.124 -7.503 1.00 73.02 H new ATOM 0 HE2 PHE A 33 -0.414 -0.575 -4.471 1.00 63.24 H new ATOM 0 HZ PHE A 33 0.552 0.716 -6.332 1.00 15.44 H new ATOM 511 N SER A 34 4.486 -6.207 -5.108 1.00 22.11 N ATOM 512 CA SER A 34 5.333 -7.309 -4.689 1.00 50.41 C ATOM 513 C SER A 34 5.704 -7.170 -3.213 1.00 34.14 C ATOM 514 O SER A 34 5.831 -6.056 -2.700 1.00 72.42 O ATOM 515 CB SER A 34 6.587 -7.349 -5.563 1.00 33.20 C ATOM 516 OG SER A 34 7.152 -6.057 -5.713 1.00 72.21 O ATOM 0 H SER A 34 4.983 -5.330 -5.263 1.00 22.11 H new ATOM 0 HA SER A 34 4.788 -8.245 -4.809 1.00 50.41 H new ATOM 0 HB2 SER A 34 7.322 -8.020 -5.118 1.00 33.20 H new ATOM 0 HB3 SER A 34 6.337 -7.755 -6.543 1.00 33.20 H new ATOM 0 HG SER A 34 7.953 -6.113 -6.275 1.00 72.21 H new ATOM 522 N PRO A 35 5.890 -8.304 -2.512 1.00 10.21 N ATOM 523 CA PRO A 35 6.245 -8.315 -1.086 1.00 33.11 C ATOM 524 C PRO A 35 7.677 -7.841 -0.832 1.00 13.13 C ATOM 525 O PRO A 35 8.151 -7.833 0.305 1.00 51.42 O ATOM 526 CB PRO A 35 6.097 -9.790 -0.679 1.00 24.12 C ATOM 527 CG PRO A 35 5.390 -10.452 -1.817 1.00 44.44 C ATOM 528 CD PRO A 35 5.755 -9.667 -3.042 1.00 4.33 C ATOM 0 HA PRO A 35 5.612 -7.636 -0.515 1.00 33.11 H new ATOM 0 HB2 PRO A 35 7.071 -10.248 -0.503 1.00 24.12 H new ATOM 0 HB3 PRO A 35 5.528 -9.886 0.245 1.00 24.12 H new ATOM 0 HG2 PRO A 35 5.697 -11.493 -1.915 1.00 44.44 H new ATOM 0 HG3 PRO A 35 4.311 -10.451 -1.660 1.00 44.44 H new ATOM 0 HD2 PRO A 35 6.682 -10.022 -3.491 1.00 4.33 H new ATOM 0 HD3 PRO A 35 4.984 -9.730 -3.810 1.00 4.33 H new ATOM 536 N GLN A 36 8.357 -7.451 -1.901 1.00 2.12 N ATOM 537 CA GLN A 36 9.715 -6.940 -1.803 1.00 31.42 C ATOM 538 C GLN A 36 9.699 -5.445 -1.496 1.00 44.25 C ATOM 539 O GLN A 36 10.717 -4.864 -1.121 1.00 4.23 O ATOM 540 CB GLN A 36 10.479 -7.204 -3.109 1.00 13.50 C ATOM 541 CG GLN A 36 10.642 -8.681 -3.435 1.00 63.32 C ATOM 542 CD GLN A 36 11.485 -8.910 -4.677 1.00 52.41 C ATOM 543 OE1 GLN A 36 12.709 -9.024 -4.603 1.00 62.15 O ATOM 544 NE2 GLN A 36 10.836 -8.997 -5.824 1.00 14.42 N ATOM 0 H GLN A 36 7.987 -7.480 -2.851 1.00 2.12 H new ATOM 0 HA GLN A 36 10.222 -7.458 -0.989 1.00 31.42 H new ATOM 0 HB2 GLN A 36 9.956 -6.715 -3.931 1.00 13.50 H new ATOM 0 HB3 GLN A 36 11.465 -6.745 -3.042 1.00 13.50 H new ATOM 0 HG2 GLN A 36 11.103 -9.189 -2.588 1.00 63.32 H new ATOM 0 HG3 GLN A 36 9.659 -9.129 -3.579 1.00 63.32 H new ATOM 0 HE21 GLN A 36 9.821 -8.897 -5.845 1.00 14.42 H new ATOM 0 HE22 GLN A 36 11.350 -9.164 -6.689 1.00 14.42 H new ATOM 553 N MET A 37 8.533 -4.828 -1.648 1.00 31.44 N ATOM 554 CA MET A 37 8.389 -3.404 -1.390 1.00 73.02 C ATOM 555 C MET A 37 7.989 -3.162 0.061 1.00 34.53 C ATOM 556 O MET A 37 6.911 -3.566 0.493 1.00 53.23 O ATOM 557 CB MET A 37 7.344 -2.788 -2.323 1.00 74.13 C ATOM 558 CG MET A 37 7.185 -1.284 -2.147 1.00 71.55 C ATOM 559 SD MET A 37 5.880 -0.588 -3.180 1.00 14.42 S ATOM 560 CE MET A 37 4.441 -1.410 -2.499 1.00 65.20 C ATOM 0 H MET A 37 7.676 -5.292 -1.948 1.00 31.44 H new ATOM 0 HA MET A 37 9.352 -2.929 -1.577 1.00 73.02 H new ATOM 0 HB2 MET A 37 7.622 -2.998 -3.356 1.00 74.13 H new ATOM 0 HB3 MET A 37 6.382 -3.270 -2.147 1.00 74.13 H new ATOM 0 HG2 MET A 37 6.968 -1.067 -1.101 1.00 71.55 H new ATOM 0 HG3 MET A 37 8.129 -0.794 -2.385 1.00 71.55 H new ATOM 0 HE1 MET A 37 3.545 -0.841 -2.748 1.00 65.20 H new ATOM 0 HE2 MET A 37 4.363 -2.413 -2.918 1.00 65.20 H new ATOM 0 HE3 MET A 37 4.539 -1.476 -1.415 1.00 65.20 H new ATOM 570 N SER A 38 8.866 -2.510 0.805 1.00 65.35 N ATOM 571 CA SER A 38 8.596 -2.186 2.194 1.00 54.10 C ATOM 572 C SER A 38 8.055 -0.762 2.313 1.00 12.34 C ATOM 573 O SER A 38 8.000 -0.022 1.325 1.00 42.15 O ATOM 574 CB SER A 38 9.878 -2.340 3.013 1.00 12.31 C ATOM 575 OG SER A 38 10.954 -1.654 2.397 1.00 34.14 O ATOM 0 H SER A 38 9.775 -2.194 0.468 1.00 65.35 H new ATOM 0 HA SER A 38 7.841 -2.871 2.581 1.00 54.10 H new ATOM 0 HB2 SER A 38 9.721 -1.951 4.019 1.00 12.31 H new ATOM 0 HB3 SER A 38 10.125 -3.397 3.115 1.00 12.31 H new ATOM 0 HG SER A 38 11.764 -1.764 2.938 1.00 34.14 H new ATOM 581 N VAL A 39 7.672 -0.373 3.523 1.00 20.43 N ATOM 582 CA VAL A 39 7.174 0.974 3.773 1.00 45.32 C ATOM 583 C VAL A 39 8.289 1.994 3.558 1.00 10.11 C ATOM 584 O VAL A 39 8.066 3.066 3.004 1.00 64.02 O ATOM 585 CB VAL A 39 6.611 1.113 5.206 1.00 20.13 C ATOM 586 CG1 VAL A 39 6.029 2.502 5.436 1.00 63.52 C ATOM 587 CG2 VAL A 39 5.565 0.043 5.480 1.00 63.45 C ATOM 0 H VAL A 39 7.697 -0.972 4.348 1.00 20.43 H new ATOM 0 HA VAL A 39 6.364 1.164 3.069 1.00 45.32 H new ATOM 0 HB VAL A 39 7.437 0.974 5.904 1.00 20.13 H new ATOM 0 HG11 VAL A 39 5.641 2.570 6.452 1.00 63.52 H new ATOM 0 HG12 VAL A 39 6.808 3.251 5.294 1.00 63.52 H new ATOM 0 HG13 VAL A 39 5.221 2.680 4.726 1.00 63.52 H new ATOM 0 HG21 VAL A 39 5.182 0.160 6.494 1.00 63.45 H new ATOM 0 HG22 VAL A 39 4.745 0.145 4.769 1.00 63.45 H new ATOM 0 HG23 VAL A 39 6.017 -0.943 5.374 1.00 63.45 H new ATOM 597 N GLU A 40 9.494 1.638 3.982 1.00 23.22 N ATOM 598 CA GLU A 40 10.659 2.501 3.814 1.00 24.11 C ATOM 599 C GLU A 40 10.940 2.739 2.328 1.00 1.32 C ATOM 600 O GLU A 40 11.387 3.815 1.926 1.00 22.10 O ATOM 601 CB GLU A 40 11.878 1.866 4.492 1.00 51.23 C ATOM 602 CG GLU A 40 13.084 2.786 4.583 1.00 45.44 C ATOM 603 CD GLU A 40 12.816 4.011 5.433 1.00 54.10 C ATOM 604 OE1 GLU A 40 12.873 3.902 6.677 1.00 60.42 O ATOM 605 OE2 GLU A 40 12.551 5.089 4.865 1.00 45.12 O ATOM 0 H GLU A 40 9.692 0.752 4.448 1.00 23.22 H new ATOM 0 HA GLU A 40 10.454 3.464 4.282 1.00 24.11 H new ATOM 0 HB2 GLU A 40 11.598 1.550 5.497 1.00 51.23 H new ATOM 0 HB3 GLU A 40 12.160 0.968 3.942 1.00 51.23 H new ATOM 0 HG2 GLU A 40 13.927 2.235 5.001 1.00 45.44 H new ATOM 0 HG3 GLU A 40 13.374 3.100 3.580 1.00 45.44 H new ATOM 612 N ALA A 41 10.648 1.731 1.516 1.00 13.12 N ATOM 613 CA ALA A 41 10.862 1.815 0.080 1.00 24.12 C ATOM 614 C ALA A 41 9.937 2.851 -0.556 1.00 41.35 C ATOM 615 O ALA A 41 10.379 3.691 -1.342 1.00 74.42 O ATOM 616 CB ALA A 41 10.664 0.452 -0.567 1.00 23.02 C ATOM 0 H ALA A 41 10.260 0.842 1.831 1.00 13.12 H new ATOM 0 HA ALA A 41 11.890 2.135 -0.090 1.00 24.12 H new ATOM 0 HB1 ALA A 41 10.828 0.532 -1.642 1.00 23.02 H new ATOM 0 HB2 ALA A 41 11.374 -0.258 -0.144 1.00 23.02 H new ATOM 0 HB3 ALA A 41 9.648 0.104 -0.380 1.00 23.02 H new ATOM 622 N VAL A 42 8.655 2.805 -0.202 1.00 51.22 N ATOM 623 CA VAL A 42 7.689 3.737 -0.774 1.00 25.41 C ATOM 624 C VAL A 42 7.911 5.145 -0.213 1.00 20.03 C ATOM 625 O VAL A 42 7.686 6.139 -0.908 1.00 21.00 O ATOM 626 CB VAL A 42 6.222 3.282 -0.550 1.00 50.02 C ATOM 627 CG1 VAL A 42 5.845 3.306 0.923 1.00 31.42 C ATOM 628 CG2 VAL A 42 5.265 4.140 -1.366 1.00 55.34 C ATOM 0 H VAL A 42 8.266 2.142 0.468 1.00 51.22 H new ATOM 0 HA VAL A 42 7.854 3.752 -1.851 1.00 25.41 H new ATOM 0 HB VAL A 42 6.141 2.250 -0.891 1.00 50.02 H new ATOM 0 HG11 VAL A 42 4.811 2.981 1.039 1.00 31.42 H new ATOM 0 HG12 VAL A 42 6.501 2.635 1.477 1.00 31.42 H new ATOM 0 HG13 VAL A 42 5.953 4.319 1.310 1.00 31.42 H new ATOM 0 HG21 VAL A 42 4.242 3.806 -1.196 1.00 55.34 H new ATOM 0 HG22 VAL A 42 5.362 5.182 -1.062 1.00 55.34 H new ATOM 0 HG23 VAL A 42 5.506 4.047 -2.425 1.00 55.34 H new ATOM 638 N LYS A 43 8.388 5.222 1.031 1.00 40.41 N ATOM 639 CA LYS A 43 8.725 6.504 1.652 1.00 51.44 C ATOM 640 C LYS A 43 9.753 7.250 0.815 1.00 75.14 C ATOM 641 O LYS A 43 9.610 8.442 0.554 1.00 24.13 O ATOM 642 CB LYS A 43 9.286 6.302 3.063 1.00 5.25 C ATOM 643 CG LYS A 43 8.250 5.932 4.105 1.00 72.22 C ATOM 644 CD LYS A 43 8.894 5.818 5.477 1.00 53.21 C ATOM 645 CE LYS A 43 7.866 5.588 6.568 1.00 73.50 C ATOM 646 NZ LYS A 43 8.504 5.477 7.906 1.00 12.44 N ATOM 0 H LYS A 43 8.550 4.411 1.628 1.00 40.41 H new ATOM 0 HA LYS A 43 7.807 7.089 1.712 1.00 51.44 H new ATOM 0 HB2 LYS A 43 10.045 5.520 3.030 1.00 5.25 H new ATOM 0 HB3 LYS A 43 9.786 7.219 3.376 1.00 5.25 H new ATOM 0 HG2 LYS A 43 7.463 6.686 4.128 1.00 72.22 H new ATOM 0 HG3 LYS A 43 7.778 4.986 3.838 1.00 72.22 H new ATOM 0 HD2 LYS A 43 9.610 4.996 5.474 1.00 53.21 H new ATOM 0 HD3 LYS A 43 9.454 6.728 5.692 1.00 53.21 H new ATOM 0 HE2 LYS A 43 7.150 6.410 6.573 1.00 73.50 H new ATOM 0 HE3 LYS A 43 7.306 4.678 6.355 1.00 73.50 H new ATOM 0 HZ1 LYS A 43 7.772 5.320 8.628 1.00 12.44 H new ATOM 0 HZ2 LYS A 43 9.169 4.678 7.908 1.00 12.44 H new ATOM 0 HZ3 LYS A 43 9.018 6.356 8.119 1.00 12.44 H new ATOM 660 N GLU A 44 10.784 6.529 0.399 1.00 3.40 N ATOM 661 CA GLU A 44 11.853 7.106 -0.400 1.00 53.14 C ATOM 662 C GLU A 44 11.312 7.683 -1.703 1.00 31.02 C ATOM 663 O GLU A 44 11.714 8.765 -2.125 1.00 10.50 O ATOM 664 CB GLU A 44 12.911 6.048 -0.707 1.00 42.13 C ATOM 665 CG GLU A 44 14.103 6.591 -1.479 1.00 2.44 C ATOM 666 CD GLU A 44 15.023 5.495 -1.962 1.00 21.45 C ATOM 667 OE1 GLU A 44 15.802 4.967 -1.144 1.00 24.43 O ATOM 668 OE2 GLU A 44 14.970 5.155 -3.160 1.00 1.51 O ATOM 0 H GLU A 44 10.902 5.537 0.604 1.00 3.40 H new ATOM 0 HA GLU A 44 12.305 7.914 0.175 1.00 53.14 H new ATOM 0 HB2 GLU A 44 13.262 5.613 0.229 1.00 42.13 H new ATOM 0 HB3 GLU A 44 12.453 5.242 -1.281 1.00 42.13 H new ATOM 0 HG2 GLU A 44 13.747 7.166 -2.334 1.00 2.44 H new ATOM 0 HG3 GLU A 44 14.662 7.277 -0.843 1.00 2.44 H new ATOM 675 N LYS A 45 10.387 6.963 -2.328 1.00 51.50 N ATOM 676 CA LYS A 45 9.869 7.366 -3.626 1.00 0.30 C ATOM 677 C LYS A 45 8.927 8.561 -3.490 1.00 13.11 C ATOM 678 O LYS A 45 8.902 9.439 -4.347 1.00 74.23 O ATOM 679 CB LYS A 45 9.163 6.195 -4.308 1.00 15.22 C ATOM 680 CG LYS A 45 8.924 6.423 -5.792 1.00 32.34 C ATOM 681 CD LYS A 45 8.487 5.145 -6.488 1.00 34.31 C ATOM 682 CE LYS A 45 8.431 5.330 -7.993 1.00 74.54 C ATOM 683 NZ LYS A 45 8.170 4.047 -8.696 1.00 71.03 N ATOM 0 H LYS A 45 9.984 6.102 -1.958 1.00 51.50 H new ATOM 0 HA LYS A 45 10.710 7.670 -4.249 1.00 0.30 H new ATOM 0 HB2 LYS A 45 9.760 5.293 -4.177 1.00 15.22 H new ATOM 0 HB3 LYS A 45 8.207 6.019 -3.815 1.00 15.22 H new ATOM 0 HG2 LYS A 45 8.161 7.190 -5.925 1.00 32.34 H new ATOM 0 HG3 LYS A 45 9.837 6.797 -6.255 1.00 32.34 H new ATOM 0 HD2 LYS A 45 9.180 4.340 -6.244 1.00 34.31 H new ATOM 0 HD3 LYS A 45 7.506 4.844 -6.119 1.00 34.31 H new ATOM 0 HE2 LYS A 45 7.649 6.047 -8.242 1.00 74.54 H new ATOM 0 HE3 LYS A 45 9.373 5.751 -8.343 1.00 74.54 H new ATOM 0 HZ1 LYS A 45 8.139 4.213 -9.722 1.00 71.03 H new ATOM 0 HZ2 LYS A 45 8.930 3.371 -8.478 1.00 71.03 H new ATOM 0 HZ3 LYS A 45 7.259 3.657 -8.381 1.00 71.03 H new ATOM 697 N LEU A 46 8.164 8.601 -2.405 1.00 4.32 N ATOM 698 CA LEU A 46 7.287 9.739 -2.131 1.00 11.40 C ATOM 699 C LEU A 46 8.123 10.977 -1.829 1.00 43.12 C ATOM 700 O LEU A 46 7.770 12.099 -2.207 1.00 21.12 O ATOM 701 CB LEU A 46 6.356 9.425 -0.958 1.00 40.21 C ATOM 702 CG LEU A 46 5.383 8.269 -1.204 1.00 51.14 C ATOM 703 CD1 LEU A 46 4.647 7.908 0.075 1.00 53.20 C ATOM 704 CD2 LEU A 46 4.391 8.633 -2.299 1.00 0.44 C ATOM 0 H LEU A 46 8.132 7.863 -1.701 1.00 4.32 H new ATOM 0 HA LEU A 46 6.675 9.933 -3.012 1.00 11.40 H new ATOM 0 HB2 LEU A 46 6.963 9.191 -0.083 1.00 40.21 H new ATOM 0 HB3 LEU A 46 5.782 10.320 -0.718 1.00 40.21 H new ATOM 0 HG LEU A 46 5.957 7.401 -1.529 1.00 51.14 H new ATOM 0 HD11 LEU A 46 3.960 7.084 -0.120 1.00 53.20 H new ATOM 0 HD12 LEU A 46 5.367 7.607 0.836 1.00 53.20 H new ATOM 0 HD13 LEU A 46 4.085 8.773 0.428 1.00 53.20 H new ATOM 0 HD21 LEU A 46 3.707 7.800 -2.461 1.00 0.44 H new ATOM 0 HD22 LEU A 46 3.825 9.515 -1.999 1.00 0.44 H new ATOM 0 HD23 LEU A 46 4.930 8.845 -3.222 1.00 0.44 H new ATOM 716 N TRP A 47 9.250 10.748 -1.167 1.00 34.12 N ATOM 717 CA TRP A 47 10.208 11.801 -0.859 1.00 65.23 C ATOM 718 C TRP A 47 10.878 12.314 -2.138 1.00 73.54 C ATOM 719 O TRP A 47 11.461 13.396 -2.157 1.00 71.13 O ATOM 720 CB TRP A 47 11.246 11.258 0.134 1.00 50.12 C ATOM 721 CG TRP A 47 12.385 12.183 0.419 1.00 34.42 C ATOM 722 CD1 TRP A 47 12.323 13.425 0.984 1.00 74.21 C ATOM 723 CD2 TRP A 47 13.769 11.925 0.160 1.00 12.43 C ATOM 724 NE1 TRP A 47 13.584 13.959 1.083 1.00 34.11 N ATOM 725 CE2 TRP A 47 14.489 13.053 0.585 1.00 50.33 C ATOM 726 CE3 TRP A 47 14.464 10.846 -0.393 1.00 13.31 C ATOM 727 CZ2 TRP A 47 15.872 13.136 0.474 1.00 3.12 C ATOM 728 CZ3 TRP A 47 15.840 10.930 -0.502 1.00 23.14 C ATOM 729 CH2 TRP A 47 16.529 12.068 -0.070 1.00 54.04 C ATOM 0 H TRP A 47 9.525 9.826 -0.828 1.00 34.12 H new ATOM 0 HA TRP A 47 9.690 12.645 -0.404 1.00 65.23 H new ATOM 0 HB2 TRP A 47 10.743 11.024 1.072 1.00 50.12 H new ATOM 0 HB3 TRP A 47 11.646 10.322 -0.255 1.00 50.12 H new ATOM 0 HD1 TRP A 47 11.416 13.915 1.305 1.00 74.21 H new ATOM 0 HE1 TRP A 47 13.812 14.877 1.464 1.00 34.11 H new ATOM 0 HE3 TRP A 47 13.937 9.965 -0.728 1.00 13.31 H new ATOM 0 HZ2 TRP A 47 16.408 14.013 0.806 1.00 3.12 H new ATOM 0 HZ3 TRP A 47 16.391 10.104 -0.927 1.00 23.14 H new ATOM 0 HH2 TRP A 47 17.604 12.104 -0.168 1.00 54.04 H new ATOM 740 N LYS A 48 10.782 11.538 -3.207 1.00 22.34 N ATOM 741 CA LYS A 48 11.326 11.946 -4.496 1.00 74.55 C ATOM 742 C LYS A 48 10.237 12.536 -5.389 1.00 2.32 C ATOM 743 O LYS A 48 10.480 13.490 -6.127 1.00 13.33 O ATOM 744 CB LYS A 48 11.982 10.757 -5.198 1.00 40.12 C ATOM 745 CG LYS A 48 13.214 10.229 -4.485 1.00 22.33 C ATOM 746 CD LYS A 48 13.741 8.967 -5.150 1.00 43.23 C ATOM 747 CE LYS A 48 15.036 8.497 -4.515 1.00 3.24 C ATOM 748 NZ LYS A 48 16.144 9.461 -4.741 1.00 32.34 N ATOM 0 H LYS A 48 10.333 10.622 -3.209 1.00 22.34 H new ATOM 0 HA LYS A 48 12.078 12.714 -4.313 1.00 74.55 H new ATOM 0 HB2 LYS A 48 11.252 9.952 -5.288 1.00 40.12 H new ATOM 0 HB3 LYS A 48 12.258 11.052 -6.211 1.00 40.12 H new ATOM 0 HG2 LYS A 48 13.991 10.993 -4.484 1.00 22.33 H new ATOM 0 HG3 LYS A 48 12.972 10.019 -3.443 1.00 22.33 H new ATOM 0 HD2 LYS A 48 12.993 8.178 -5.077 1.00 43.23 H new ATOM 0 HD3 LYS A 48 13.904 9.156 -6.211 1.00 43.23 H new ATOM 0 HE2 LYS A 48 14.887 8.360 -3.444 1.00 3.24 H new ATOM 0 HE3 LYS A 48 15.310 7.525 -4.926 1.00 3.24 H new ATOM 0 HZ1 LYS A 48 17.051 9.009 -4.508 1.00 32.34 H new ATOM 0 HZ2 LYS A 48 16.150 9.755 -5.739 1.00 32.34 H new ATOM 0 HZ3 LYS A 48 16.007 10.295 -4.135 1.00 32.34 H new ATOM 762 N LYS A 49 9.044 11.960 -5.312 1.00 5.02 N ATOM 763 CA LYS A 49 7.925 12.377 -6.149 1.00 3.34 C ATOM 764 C LYS A 49 7.520 13.818 -5.856 1.00 74.41 C ATOM 765 O LYS A 49 7.433 14.644 -6.763 1.00 2.01 O ATOM 766 CB LYS A 49 6.727 11.449 -5.931 1.00 13.42 C ATOM 767 CG LYS A 49 5.554 11.740 -6.857 1.00 21.12 C ATOM 768 CD LYS A 49 4.371 10.822 -6.582 1.00 3.24 C ATOM 769 CE LYS A 49 3.221 11.090 -7.543 1.00 64.21 C ATOM 770 NZ LYS A 49 3.598 10.808 -8.954 1.00 42.03 N ATOM 0 H LYS A 49 8.825 11.196 -4.673 1.00 5.02 H new ATOM 0 HA LYS A 49 8.246 12.317 -7.189 1.00 3.34 H new ATOM 0 HB2 LYS A 49 7.046 10.417 -6.076 1.00 13.42 H new ATOM 0 HB3 LYS A 49 6.393 11.537 -4.897 1.00 13.42 H new ATOM 0 HG2 LYS A 49 5.244 12.778 -6.735 1.00 21.12 H new ATOM 0 HG3 LYS A 49 5.872 11.622 -7.893 1.00 21.12 H new ATOM 0 HD2 LYS A 49 4.687 9.783 -6.672 1.00 3.24 H new ATOM 0 HD3 LYS A 49 4.030 10.964 -5.556 1.00 3.24 H new ATOM 0 HE2 LYS A 49 2.366 10.474 -7.266 1.00 64.21 H new ATOM 0 HE3 LYS A 49 2.907 12.130 -7.452 1.00 64.21 H new ATOM 0 HZ1 LYS A 49 2.741 10.771 -9.542 1.00 42.03 H new ATOM 0 HZ2 LYS A 49 4.225 11.561 -9.303 1.00 42.03 H new ATOM 0 HZ3 LYS A 49 4.092 9.894 -9.005 1.00 42.03 H new ATOM 784 N CYS A 50 7.271 14.119 -4.589 1.00 12.50 N ATOM 785 CA CYS A 50 6.843 15.457 -4.200 1.00 71.21 C ATOM 786 C CYS A 50 7.756 16.047 -3.134 1.00 35.22 C ATOM 787 O CYS A 50 7.590 17.200 -2.735 1.00 32.40 O ATOM 788 CB CYS A 50 5.402 15.428 -3.687 1.00 10.52 C ATOM 789 SG CYS A 50 4.188 14.887 -4.915 1.00 23.31 S ATOM 0 H CYS A 50 7.357 13.459 -3.816 1.00 12.50 H new ATOM 0 HA CYS A 50 6.899 16.090 -5.086 1.00 71.21 H new ATOM 0 HB2 CYS A 50 5.349 14.765 -2.824 1.00 10.52 H new ATOM 0 HB3 CYS A 50 5.132 16.425 -3.340 1.00 10.52 H new ATOM 0 HG CYS A 50 3.001 14.894 -4.384 1.00 23.31 H new ATOM 795 N GLY A 51 8.727 15.261 -2.681 1.00 35.33 N ATOM 796 CA GLY A 51 9.581 15.697 -1.592 1.00 52.24 C ATOM 797 C GLY A 51 8.828 15.721 -0.279 1.00 30.01 C ATOM 798 O GLY A 51 9.133 16.512 0.612 1.00 11.52 O ATOM 0 H GLY A 51 8.937 14.333 -3.047 1.00 35.33 H new ATOM 0 HA2 GLY A 51 10.439 15.029 -1.510 1.00 52.24 H new ATOM 0 HA3 GLY A 51 9.971 16.692 -1.808 1.00 52.24 H new ATOM 802 N THR A 52 7.836 14.851 -0.170 1.00 64.54 N ATOM 803 CA THR A 52 6.987 14.797 1.004 1.00 12.55 C ATOM 804 C THR A 52 7.719 14.157 2.178 1.00 5.22 C ATOM 805 O THR A 52 8.049 12.971 2.143 1.00 43.15 O ATOM 806 CB THR A 52 5.695 14.008 0.713 1.00 11.01 C ATOM 807 OG1 THR A 52 5.105 14.484 -0.508 1.00 51.22 O ATOM 808 CG2 THR A 52 4.696 14.155 1.858 1.00 35.50 C ATOM 0 H THR A 52 7.600 14.168 -0.889 1.00 64.54 H new ATOM 0 HA THR A 52 6.726 15.822 1.266 1.00 12.55 H new ATOM 0 HB THR A 52 5.950 12.953 0.613 1.00 11.01 H new ATOM 0 HG1 THR A 52 4.285 13.981 -0.693 1.00 51.22 H new ATOM 0 HG21 THR A 52 3.793 13.589 1.628 1.00 35.50 H new ATOM 0 HG22 THR A 52 5.139 13.774 2.778 1.00 35.50 H new ATOM 0 HG23 THR A 52 4.442 15.207 1.986 1.00 35.50 H new ATOM 816 N SER A 53 8.001 14.957 3.197 1.00 34.34 N ATOM 817 CA SER A 53 8.587 14.449 4.422 1.00 21.23 C ATOM 818 C SER A 53 7.609 13.494 5.098 1.00 20.11 C ATOM 819 O SER A 53 6.493 13.880 5.453 1.00 42.30 O ATOM 820 CB SER A 53 8.932 15.606 5.356 1.00 13.42 C ATOM 821 OG SER A 53 9.677 16.600 4.675 1.00 63.20 O ATOM 0 H SER A 53 7.832 15.963 3.196 1.00 34.34 H new ATOM 0 HA SER A 53 9.504 13.909 4.187 1.00 21.23 H new ATOM 0 HB2 SER A 53 8.016 16.042 5.755 1.00 13.42 H new ATOM 0 HB3 SER A 53 9.505 15.234 6.206 1.00 13.42 H new ATOM 0 HG SER A 53 9.886 17.332 5.292 1.00 63.20 H new ATOM 827 N VAL A 54 8.031 12.249 5.270 1.00 71.23 N ATOM 828 CA VAL A 54 7.162 11.203 5.799 1.00 73.52 C ATOM 829 C VAL A 54 6.871 11.396 7.286 1.00 64.13 C ATOM 830 O VAL A 54 6.067 10.669 7.866 1.00 30.12 O ATOM 831 CB VAL A 54 7.765 9.804 5.567 1.00 20.24 C ATOM 832 CG1 VAL A 54 7.873 9.521 4.079 1.00 1.30 C ATOM 833 CG2 VAL A 54 9.127 9.680 6.234 1.00 65.15 C ATOM 0 H VAL A 54 8.976 11.936 5.050 1.00 71.23 H new ATOM 0 HA VAL A 54 6.221 11.279 5.255 1.00 73.52 H new ATOM 0 HB VAL A 54 7.102 9.066 6.018 1.00 20.24 H new ATOM 0 HG11 VAL A 54 8.300 8.530 3.927 1.00 1.30 H new ATOM 0 HG12 VAL A 54 6.882 9.562 3.628 1.00 1.30 H new ATOM 0 HG13 VAL A 54 8.515 10.268 3.612 1.00 1.30 H new ATOM 0 HG21 VAL A 54 9.530 8.683 6.055 1.00 65.15 H new ATOM 0 HG22 VAL A 54 9.805 10.426 5.819 1.00 65.15 H new ATOM 0 HG23 VAL A 54 9.023 9.842 7.307 1.00 65.15 H new ATOM 843 N ASN A 55 7.527 12.374 7.898 1.00 63.34 N ATOM 844 CA ASN A 55 7.247 12.724 9.286 1.00 43.51 C ATOM 845 C ASN A 55 5.856 13.335 9.401 1.00 31.24 C ATOM 846 O ASN A 55 5.140 13.115 10.379 1.00 75.22 O ATOM 847 CB ASN A 55 8.281 13.719 9.813 1.00 61.13 C ATOM 848 CG ASN A 55 8.119 13.986 11.298 1.00 55.42 C ATOM 849 OD1 ASN A 55 7.787 13.085 12.069 1.00 60.31 O ATOM 850 ND2 ASN A 55 8.319 15.229 11.705 1.00 15.41 N ATOM 0 H ASN A 55 8.254 12.938 7.458 1.00 63.34 H new ATOM 0 HA ASN A 55 7.297 11.813 9.882 1.00 43.51 H new ATOM 0 HB2 ASN A 55 9.283 13.334 9.623 1.00 61.13 H new ATOM 0 HB3 ASN A 55 8.191 14.657 9.266 1.00 61.13 H new ATOM 0 HD21 ASN A 55 8.199 15.469 12.689 1.00 15.41 H new ATOM 0 HD22 ASN A 55 8.593 15.947 11.035 1.00 15.41 H new ATOM 857 N SER A 56 5.475 14.091 8.381 1.00 24.33 N ATOM 858 CA SER A 56 4.199 14.785 8.370 1.00 0.31 C ATOM 859 C SER A 56 3.177 14.048 7.508 1.00 21.01 C ATOM 860 O SER A 56 2.196 14.630 7.054 1.00 24.13 O ATOM 861 CB SER A 56 4.406 16.211 7.865 1.00 32.42 C ATOM 862 OG SER A 56 5.317 16.236 6.774 1.00 54.44 O ATOM 0 H SER A 56 6.039 14.239 7.544 1.00 24.33 H new ATOM 0 HA SER A 56 3.805 14.815 9.386 1.00 0.31 H new ATOM 0 HB2 SER A 56 3.450 16.634 7.555 1.00 32.42 H new ATOM 0 HB3 SER A 56 4.784 16.836 8.674 1.00 32.42 H new ATOM 0 HG SER A 56 5.433 17.159 6.466 1.00 54.44 H new ATOM 868 N MET A 57 3.408 12.762 7.294 1.00 55.24 N ATOM 869 CA MET A 57 2.483 11.945 6.523 1.00 20.14 C ATOM 870 C MET A 57 2.451 10.526 7.074 1.00 15.22 C ATOM 871 O MET A 57 3.342 9.720 6.807 1.00 43.54 O ATOM 872 CB MET A 57 2.875 11.925 5.044 1.00 40.52 C ATOM 873 CG MET A 57 1.874 11.198 4.159 1.00 53.04 C ATOM 874 SD MET A 57 2.440 11.053 2.452 1.00 12.21 S ATOM 875 CE MET A 57 3.945 10.112 2.689 1.00 55.14 C ATOM 0 H MET A 57 4.226 12.262 7.642 1.00 55.24 H new ATOM 0 HA MET A 57 1.489 12.383 6.608 1.00 20.14 H new ATOM 0 HB2 MET A 57 2.982 12.951 4.691 1.00 40.52 H new ATOM 0 HB3 MET A 57 3.850 11.450 4.942 1.00 40.52 H new ATOM 0 HG2 MET A 57 1.692 10.203 4.564 1.00 53.04 H new ATOM 0 HG3 MET A 57 0.923 11.730 4.179 1.00 53.04 H new ATOM 0 HE1 MET A 57 4.699 10.447 1.977 1.00 55.14 H new ATOM 0 HE2 MET A 57 4.312 10.262 3.704 1.00 55.14 H new ATOM 0 HE3 MET A 57 3.741 9.053 2.530 1.00 55.14 H new ATOM 885 N ALA A 58 1.428 10.233 7.859 1.00 5.02 N ATOM 886 CA ALA A 58 1.298 8.928 8.483 1.00 14.22 C ATOM 887 C ALA A 58 0.573 7.960 7.562 1.00 64.21 C ATOM 888 O ALA A 58 -0.326 8.352 6.815 1.00 61.13 O ATOM 889 CB ALA A 58 0.563 9.048 9.807 1.00 62.50 C ATOM 0 H ALA A 58 0.674 10.883 8.079 1.00 5.02 H new ATOM 0 HA ALA A 58 2.298 8.537 8.671 1.00 14.22 H new ATOM 0 HB1 ALA A 58 0.473 8.062 10.264 1.00 62.50 H new ATOM 0 HB2 ALA A 58 1.119 9.707 10.473 1.00 62.50 H new ATOM 0 HB3 ALA A 58 -0.431 9.461 9.635 1.00 62.50 H new ATOM 895 N LEU A 59 0.970 6.699 7.607 1.00 20.22 N ATOM 896 CA LEU A 59 0.321 5.673 6.812 1.00 31.41 C ATOM 897 C LEU A 59 -0.487 4.748 7.711 1.00 10.30 C ATOM 898 O LEU A 59 0.065 3.904 8.417 1.00 33.44 O ATOM 899 CB LEU A 59 1.351 4.875 6.007 1.00 71.23 C ATOM 900 CG LEU A 59 2.122 5.682 4.957 1.00 0.45 C ATOM 901 CD1 LEU A 59 3.132 4.801 4.241 1.00 74.22 C ATOM 902 CD2 LEU A 59 1.162 6.311 3.956 1.00 64.44 C ATOM 0 H LEU A 59 1.739 6.362 8.186 1.00 20.22 H new ATOM 0 HA LEU A 59 -0.355 6.157 6.108 1.00 31.41 H new ATOM 0 HB2 LEU A 59 2.067 4.432 6.700 1.00 71.23 H new ATOM 0 HB3 LEU A 59 0.840 4.052 5.507 1.00 71.23 H new ATOM 0 HG LEU A 59 2.662 6.480 5.467 1.00 0.45 H new ATOM 0 HD11 LEU A 59 3.669 5.392 3.499 1.00 74.22 H new ATOM 0 HD12 LEU A 59 3.840 4.397 4.965 1.00 74.22 H new ATOM 0 HD13 LEU A 59 2.613 3.981 3.745 1.00 74.22 H new ATOM 0 HD21 LEU A 59 1.727 6.880 3.218 1.00 64.44 H new ATOM 0 HD22 LEU A 59 0.595 5.527 3.453 1.00 64.44 H new ATOM 0 HD23 LEU A 59 0.475 6.977 4.479 1.00 64.44 H new ATOM 914 N GLU A 60 -1.796 4.936 7.701 1.00 25.15 N ATOM 915 CA GLU A 60 -2.693 4.112 8.493 1.00 74.12 C ATOM 916 C GLU A 60 -3.069 2.851 7.734 1.00 53.32 C ATOM 917 O GLU A 60 -3.948 2.869 6.869 1.00 10.11 O ATOM 918 CB GLU A 60 -3.947 4.900 8.873 1.00 33.23 C ATOM 919 CG GLU A 60 -3.785 5.741 10.130 1.00 1.33 C ATOM 920 CD GLU A 60 -3.910 4.917 11.399 1.00 23.33 C ATOM 921 OE1 GLU A 60 -2.967 4.171 11.734 1.00 14.32 O ATOM 922 OE2 GLU A 60 -4.964 5.009 12.065 1.00 20.15 O ATOM 0 H GLU A 60 -2.263 5.656 7.150 1.00 25.15 H new ATOM 0 HA GLU A 60 -2.176 3.822 9.408 1.00 74.12 H new ATOM 0 HB2 GLU A 60 -4.221 5.552 8.043 1.00 33.23 H new ATOM 0 HB3 GLU A 60 -4.773 4.203 9.017 1.00 33.23 H new ATOM 0 HG2 GLU A 60 -2.811 6.231 10.113 1.00 1.33 H new ATOM 0 HG3 GLU A 60 -4.538 6.529 10.136 1.00 1.33 H new ATOM 929 N LEU A 61 -2.375 1.769 8.038 1.00 52.12 N ATOM 930 CA LEU A 61 -2.649 0.489 7.421 1.00 44.25 C ATOM 931 C LEU A 61 -3.770 -0.210 8.176 1.00 52.01 C ATOM 932 O LEU A 61 -3.547 -0.820 9.229 1.00 34.22 O ATOM 933 CB LEU A 61 -1.385 -0.378 7.397 1.00 14.23 C ATOM 934 CG LEU A 61 -1.486 -1.674 6.593 1.00 22.31 C ATOM 935 CD1 LEU A 61 -1.759 -1.374 5.130 1.00 24.32 C ATOM 936 CD2 LEU A 61 -0.214 -2.494 6.746 1.00 34.23 C ATOM 0 H LEU A 61 -1.612 1.755 8.715 1.00 52.12 H new ATOM 0 HA LEU A 61 -2.964 0.649 6.390 1.00 44.25 H new ATOM 0 HB2 LEU A 61 -0.566 0.217 6.992 1.00 14.23 H new ATOM 0 HB3 LEU A 61 -1.119 -0.629 8.424 1.00 14.23 H new ATOM 0 HG LEU A 61 -2.320 -2.258 6.982 1.00 22.31 H new ATOM 0 HD11 LEU A 61 -1.828 -2.309 4.574 1.00 24.32 H new ATOM 0 HD12 LEU A 61 -2.698 -0.828 5.040 1.00 24.32 H new ATOM 0 HD13 LEU A 61 -0.948 -0.769 4.725 1.00 24.32 H new ATOM 0 HD21 LEU A 61 -0.302 -3.414 6.167 1.00 34.23 H new ATOM 0 HD22 LEU A 61 0.637 -1.917 6.383 1.00 34.23 H new ATOM 0 HD23 LEU A 61 -0.064 -2.740 7.797 1.00 34.23 H new ATOM 948 N TYR A 62 -4.978 -0.081 7.658 1.00 61.14 N ATOM 949 CA TYR A 62 -6.146 -0.691 8.272 1.00 2.11 C ATOM 950 C TYR A 62 -6.432 -2.042 7.645 1.00 61.41 C ATOM 951 O TYR A 62 -5.994 -2.323 6.529 1.00 72.31 O ATOM 952 CB TYR A 62 -7.390 0.190 8.101 1.00 3.42 C ATOM 953 CG TYR A 62 -7.316 1.547 8.763 1.00 33.02 C ATOM 954 CD1 TYR A 62 -7.259 1.670 10.144 1.00 71.01 C ATOM 955 CD2 TYR A 62 -7.319 2.707 8.002 1.00 32.31 C ATOM 956 CE1 TYR A 62 -7.208 2.910 10.749 1.00 34.21 C ATOM 957 CE2 TYR A 62 -7.272 3.950 8.598 1.00 3.24 C ATOM 958 CZ TYR A 62 -7.214 4.046 9.970 1.00 71.51 C ATOM 959 OH TYR A 62 -7.164 5.286 10.564 1.00 42.20 O ATOM 0 H TYR A 62 -5.178 0.445 6.807 1.00 61.14 H new ATOM 0 HA TYR A 62 -5.926 -0.807 9.333 1.00 2.11 H new ATOM 0 HB2 TYR A 62 -7.570 0.333 7.036 1.00 3.42 H new ATOM 0 HB3 TYR A 62 -8.252 -0.345 8.501 1.00 3.42 H new ATOM 0 HD1 TYR A 62 -7.254 0.780 10.756 1.00 71.01 H new ATOM 0 HD2 TYR A 62 -7.359 2.636 6.925 1.00 32.31 H new ATOM 0 HE1 TYR A 62 -7.164 2.989 11.825 1.00 34.21 H new ATOM 0 HE2 TYR A 62 -7.281 4.843 7.991 1.00 3.24 H new ATOM 0 HH TYR A 62 -6.435 5.306 11.219 1.00 42.20 H new ATOM 969 N ASP A 63 -7.164 -2.869 8.367 1.00 1.43 N ATOM 970 CA ASP A 63 -7.712 -4.090 7.802 1.00 11.23 C ATOM 971 C ASP A 63 -9.235 -4.006 7.874 1.00 2.14 C ATOM 972 O ASP A 63 -9.778 -2.931 8.144 1.00 41.23 O ATOM 973 CB ASP A 63 -7.175 -5.338 8.521 1.00 75.31 C ATOM 974 CG ASP A 63 -7.814 -5.595 9.870 1.00 23.54 C ATOM 975 OD1 ASP A 63 -7.475 -4.897 10.844 1.00 53.31 O ATOM 976 OD2 ASP A 63 -8.648 -6.522 9.960 1.00 43.34 O ATOM 0 H ASP A 63 -7.394 -2.718 9.349 1.00 1.43 H new ATOM 0 HA ASP A 63 -7.400 -4.186 6.762 1.00 11.23 H new ATOM 0 HB2 ASP A 63 -7.333 -6.208 7.884 1.00 75.31 H new ATOM 0 HB3 ASP A 63 -6.098 -5.233 8.655 1.00 75.31 H new ATOM 981 N ASP A 64 -9.928 -5.102 7.620 1.00 4.20 N ATOM 982 CA ASP A 64 -11.389 -5.064 7.566 1.00 5.02 C ATOM 983 C ASP A 64 -12.022 -5.655 8.823 1.00 55.24 C ATOM 984 O ASP A 64 -13.163 -5.335 9.162 1.00 31.43 O ATOM 985 CB ASP A 64 -11.892 -5.811 6.329 1.00 34.42 C ATOM 986 CG ASP A 64 -13.394 -5.686 6.147 1.00 73.43 C ATOM 987 OD1 ASP A 64 -13.854 -4.617 5.695 1.00 53.30 O ATOM 988 OD2 ASP A 64 -14.116 -6.665 6.423 1.00 71.13 O ATOM 0 H ASP A 64 -9.516 -6.019 7.449 1.00 4.20 H new ATOM 0 HA ASP A 64 -11.686 -4.017 7.506 1.00 5.02 H new ATOM 0 HB2 ASP A 64 -11.388 -5.423 5.444 1.00 34.42 H new ATOM 0 HB3 ASP A 64 -11.625 -6.865 6.411 1.00 34.42 H new ATOM 993 N SER A 65 -11.271 -6.481 9.535 1.00 53.42 N ATOM 994 CA SER A 65 -11.818 -7.241 10.645 1.00 34.11 C ATOM 995 C SER A 65 -11.462 -6.596 11.987 1.00 25.34 C ATOM 996 O SER A 65 -12.298 -6.514 12.891 1.00 32.22 O ATOM 997 CB SER A 65 -11.293 -8.678 10.585 1.00 23.22 C ATOM 998 OG SER A 65 -11.945 -9.511 11.528 1.00 30.12 O ATOM 0 H SER A 65 -10.279 -6.641 9.362 1.00 53.42 H new ATOM 0 HA SER A 65 -12.905 -7.248 10.562 1.00 34.11 H new ATOM 0 HB2 SER A 65 -11.440 -9.078 9.582 1.00 23.22 H new ATOM 0 HB3 SER A 65 -10.220 -8.682 10.776 1.00 23.22 H new ATOM 0 HG SER A 65 -11.588 -10.421 11.463 1.00 30.12 H new ATOM 1004 N GLY A 66 -10.225 -6.137 12.111 1.00 62.34 N ATOM 1005 CA GLY A 66 -9.786 -5.523 13.347 1.00 23.35 C ATOM 1006 C GLY A 66 -9.785 -4.012 13.267 1.00 30.24 C ATOM 1007 O GLY A 66 -10.842 -3.379 13.298 1.00 60.44 O ATOM 0 H GLY A 66 -9.517 -6.179 11.377 1.00 62.34 H new ATOM 0 HA2 GLY A 66 -10.438 -5.841 14.160 1.00 23.35 H new ATOM 0 HA3 GLY A 66 -8.782 -5.873 13.588 1.00 23.35 H new ATOM 1011 N SER A 67 -8.599 -3.433 13.167 1.00 65.02 N ATOM 1012 CA SER A 67 -8.449 -1.989 13.074 1.00 11.31 C ATOM 1013 C SER A 67 -7.110 -1.630 12.432 1.00 75.32 C ATOM 1014 O SER A 67 -7.059 -1.144 11.305 1.00 43.41 O ATOM 1015 CB SER A 67 -8.545 -1.349 14.464 1.00 3.55 C ATOM 1016 OG SER A 67 -9.780 -1.642 15.094 1.00 12.21 O ATOM 0 H SER A 67 -7.718 -3.947 13.148 1.00 65.02 H new ATOM 0 HA SER A 67 -9.255 -1.603 12.450 1.00 11.31 H new ATOM 0 HB2 SER A 67 -7.725 -1.707 15.087 1.00 3.55 H new ATOM 0 HB3 SER A 67 -8.429 -0.269 14.376 1.00 3.55 H new ATOM 0 HG SER A 67 -9.805 -1.219 15.978 1.00 12.21 H new ATOM 1022 N LYS A 68 -6.028 -1.897 13.152 1.00 11.34 N ATOM 1023 CA LYS A 68 -4.694 -1.520 12.706 1.00 12.01 C ATOM 1024 C LYS A 68 -3.824 -2.747 12.489 1.00 43.03 C ATOM 1025 O LYS A 68 -3.655 -3.568 13.393 1.00 22.42 O ATOM 1026 CB LYS A 68 -4.029 -0.610 13.744 1.00 11.52 C ATOM 1027 CG LYS A 68 -4.646 0.776 13.852 1.00 54.44 C ATOM 1028 CD LYS A 68 -4.180 1.481 15.116 1.00 32.53 C ATOM 1029 CE LYS A 68 -4.663 2.921 15.179 1.00 42.22 C ATOM 1030 NZ LYS A 68 -3.810 3.838 14.372 1.00 40.21 N ATOM 0 H LYS A 68 -6.049 -2.376 14.052 1.00 11.34 H new ATOM 0 HA LYS A 68 -4.796 -0.988 11.760 1.00 12.01 H new ATOM 0 HB2 LYS A 68 -4.080 -1.094 14.719 1.00 11.52 H new ATOM 0 HB3 LYS A 68 -2.973 -0.506 13.495 1.00 11.52 H new ATOM 0 HG2 LYS A 68 -4.373 1.369 12.979 1.00 54.44 H new ATOM 0 HG3 LYS A 68 -5.733 0.695 13.856 1.00 54.44 H new ATOM 0 HD2 LYS A 68 -4.544 0.938 15.988 1.00 32.53 H new ATOM 0 HD3 LYS A 68 -3.091 1.462 15.161 1.00 32.53 H new ATOM 0 HE2 LYS A 68 -5.691 2.973 14.820 1.00 42.22 H new ATOM 0 HE3 LYS A 68 -4.671 3.254 16.217 1.00 42.22 H new ATOM 0 HZ1 LYS A 68 -4.412 4.530 13.882 1.00 40.21 H new ATOM 0 HZ2 LYS A 68 -3.148 4.338 14.999 1.00 40.21 H new ATOM 0 HZ3 LYS A 68 -3.274 3.287 13.671 1.00 40.21 H new ATOM 1044 N VAL A 69 -3.281 -2.875 11.292 1.00 62.12 N ATOM 1045 CA VAL A 69 -2.315 -3.925 11.003 1.00 60.42 C ATOM 1046 C VAL A 69 -0.939 -3.318 10.758 1.00 75.05 C ATOM 1047 O VAL A 69 0.007 -4.008 10.388 1.00 41.22 O ATOM 1048 CB VAL A 69 -2.736 -4.794 9.799 1.00 60.32 C ATOM 1049 CG1 VAL A 69 -3.911 -5.686 10.171 1.00 41.34 C ATOM 1050 CG2 VAL A 69 -3.084 -3.931 8.597 1.00 71.31 C ATOM 0 H VAL A 69 -3.491 -2.265 10.502 1.00 62.12 H new ATOM 0 HA VAL A 69 -2.276 -4.578 11.875 1.00 60.42 H new ATOM 0 HB VAL A 69 -1.890 -5.426 9.528 1.00 60.32 H new ATOM 0 HG11 VAL A 69 -4.195 -6.292 9.310 1.00 41.34 H new ATOM 0 HG12 VAL A 69 -3.625 -6.339 10.996 1.00 41.34 H new ATOM 0 HG13 VAL A 69 -4.756 -5.067 10.474 1.00 41.34 H new ATOM 0 HG21 VAL A 69 -3.377 -4.569 7.763 1.00 71.31 H new ATOM 0 HG22 VAL A 69 -3.909 -3.267 8.853 1.00 71.31 H new ATOM 0 HG23 VAL A 69 -2.215 -3.337 8.312 1.00 71.31 H new ATOM 1060 N ALA A 70 -0.840 -2.015 10.988 1.00 42.43 N ATOM 1061 CA ALA A 70 0.424 -1.305 10.870 1.00 4.24 C ATOM 1062 C ALA A 70 1.257 -1.486 12.135 1.00 41.32 C ATOM 1063 O ALA A 70 1.044 -0.795 13.130 1.00 21.12 O ATOM 1064 CB ALA A 70 0.183 0.178 10.611 1.00 72.42 C ATOM 0 H ALA A 70 -1.627 -1.426 11.259 1.00 42.43 H new ATOM 0 HA ALA A 70 0.972 -1.722 10.026 1.00 4.24 H new ATOM 0 HB1 ALA A 70 1.140 0.693 10.526 1.00 72.42 H new ATOM 0 HB2 ALA A 70 -0.378 0.299 9.684 1.00 72.42 H new ATOM 0 HB3 ALA A 70 -0.386 0.604 11.438 1.00 72.42 H new ATOM 1070 N VAL A 71 2.188 -2.429 12.102 1.00 31.30 N ATOM 1071 CA VAL A 71 3.035 -2.695 13.256 1.00 31.03 C ATOM 1072 C VAL A 71 4.199 -1.707 13.309 1.00 60.25 C ATOM 1073 O VAL A 71 4.544 -1.200 14.378 1.00 3.34 O ATOM 1074 CB VAL A 71 3.581 -4.140 13.241 1.00 53.23 C ATOM 1075 CG1 VAL A 71 4.400 -4.422 14.490 1.00 35.24 C ATOM 1076 CG2 VAL A 71 2.445 -5.147 13.112 1.00 50.24 C ATOM 0 H VAL A 71 2.376 -3.020 11.292 1.00 31.30 H new ATOM 0 HA VAL A 71 2.417 -2.572 14.145 1.00 31.03 H new ATOM 0 HB VAL A 71 4.232 -4.243 12.373 1.00 53.23 H new ATOM 0 HG11 VAL A 71 4.774 -5.445 14.457 1.00 35.24 H new ATOM 0 HG12 VAL A 71 5.241 -3.730 14.538 1.00 35.24 H new ATOM 0 HG13 VAL A 71 3.774 -4.293 15.373 1.00 35.24 H new ATOM 0 HG21 VAL A 71 2.854 -6.157 13.104 1.00 50.24 H new ATOM 0 HG22 VAL A 71 1.764 -5.038 13.956 1.00 50.24 H new ATOM 0 HG23 VAL A 71 1.903 -4.967 12.184 1.00 50.24 H new ATOM 1086 N LEU A 72 4.786 -1.431 12.145 1.00 44.53 N ATOM 1087 CA LEU A 72 5.907 -0.494 12.028 1.00 40.44 C ATOM 1088 C LEU A 72 7.142 -1.016 12.752 1.00 53.22 C ATOM 1089 O LEU A 72 7.961 -0.252 13.262 1.00 32.30 O ATOM 1090 CB LEU A 72 5.535 0.908 12.530 1.00 44.23 C ATOM 1091 CG LEU A 72 4.905 1.833 11.480 1.00 60.05 C ATOM 1092 CD1 LEU A 72 3.564 1.297 11.011 1.00 52.41 C ATOM 1093 CD2 LEU A 72 4.748 3.240 12.033 1.00 63.10 C ATOM 0 H LEU A 72 4.501 -1.848 11.259 1.00 44.53 H new ATOM 0 HA LEU A 72 6.144 -0.412 10.967 1.00 40.44 H new ATOM 0 HB2 LEU A 72 4.840 0.805 13.364 1.00 44.23 H new ATOM 0 HB3 LEU A 72 6.433 1.387 12.920 1.00 44.23 H new ATOM 0 HG LEU A 72 5.575 1.868 10.621 1.00 60.05 H new ATOM 0 HD11 LEU A 72 3.142 1.973 10.268 1.00 52.41 H new ATOM 0 HD12 LEU A 72 3.701 0.311 10.568 1.00 52.41 H new ATOM 0 HD13 LEU A 72 2.885 1.222 11.860 1.00 52.41 H new ATOM 0 HD21 LEU A 72 4.300 3.881 11.274 1.00 63.10 H new ATOM 0 HD22 LEU A 72 4.105 3.215 12.913 1.00 63.10 H new ATOM 0 HD23 LEU A 72 5.726 3.634 12.309 1.00 63.10 H new ATOM 1105 N SER A 73 7.260 -2.331 12.794 1.00 4.43 N ATOM 1106 CA SER A 73 8.495 -2.980 13.192 1.00 34.33 C ATOM 1107 C SER A 73 8.984 -3.757 11.979 1.00 73.41 C ATOM 1108 O SER A 73 9.909 -4.565 12.035 1.00 62.11 O ATOM 1109 CB SER A 73 8.254 -3.902 14.393 1.00 41.22 C ATOM 1110 OG SER A 73 9.473 -4.268 15.024 1.00 31.40 O ATOM 0 H SER A 73 6.507 -2.976 12.555 1.00 4.43 H new ATOM 0 HA SER A 73 9.245 -2.254 13.507 1.00 34.33 H new ATOM 0 HB2 SER A 73 7.607 -3.401 15.113 1.00 41.22 H new ATOM 0 HB3 SER A 73 7.730 -4.799 14.064 1.00 41.22 H new ATOM 0 HG SER A 73 10.131 -4.520 14.343 1.00 31.40 H new ATOM 1116 N ASP A 74 8.329 -3.458 10.871 1.00 3.33 N ATOM 1117 CA ASP A 74 8.519 -4.150 9.608 1.00 34.51 C ATOM 1118 C ASP A 74 8.613 -3.144 8.465 1.00 33.50 C ATOM 1119 O ASP A 74 8.814 -3.516 7.310 1.00 34.14 O ATOM 1120 CB ASP A 74 7.333 -5.084 9.373 1.00 43.22 C ATOM 1121 CG ASP A 74 6.009 -4.387 9.644 1.00 35.34 C ATOM 1122 OD1 ASP A 74 5.505 -3.687 8.747 1.00 52.13 O ATOM 1123 OD2 ASP A 74 5.492 -4.515 10.782 1.00 72.25 O ATOM 0 H ASP A 74 7.635 -2.712 10.823 1.00 3.33 H new ATOM 0 HA ASP A 74 9.445 -4.724 9.645 1.00 34.51 H new ATOM 0 HB2 ASP A 74 7.351 -5.444 8.344 1.00 43.22 H new ATOM 0 HB3 ASP A 74 7.424 -5.958 10.018 1.00 43.22 H new ATOM 1128 N ASP A 75 8.500 -1.865 8.810 1.00 14.01 N ATOM 1129 CA ASP A 75 8.420 -0.794 7.816 1.00 14.04 C ATOM 1130 C ASP A 75 9.669 -0.737 6.942 1.00 72.41 C ATOM 1131 O ASP A 75 9.587 -0.457 5.748 1.00 44.35 O ATOM 1132 CB ASP A 75 8.202 0.561 8.502 1.00 1.45 C ATOM 1133 CG ASP A 75 9.294 0.903 9.496 1.00 72.43 C ATOM 1134 OD1 ASP A 75 10.342 1.442 9.084 1.00 22.14 O ATOM 1135 OD2 ASP A 75 9.111 0.631 10.696 1.00 31.44 O ATOM 0 H ASP A 75 8.461 -1.541 9.776 1.00 14.01 H new ATOM 0 HA ASP A 75 7.569 -1.014 7.172 1.00 14.04 H new ATOM 0 HB2 ASP A 75 8.151 1.342 7.744 1.00 1.45 H new ATOM 0 HB3 ASP A 75 7.241 0.552 9.015 1.00 1.45 H new ATOM 1140 N SER A 76 10.817 -1.010 7.536 1.00 53.01 N ATOM 1141 CA SER A 76 12.076 -0.982 6.809 1.00 2.22 C ATOM 1142 C SER A 76 12.661 -2.383 6.690 1.00 60.43 C ATOM 1143 O SER A 76 13.829 -2.558 6.343 1.00 63.21 O ATOM 1144 CB SER A 76 13.052 -0.032 7.506 1.00 3.50 C ATOM 1145 OG SER A 76 12.687 0.155 8.866 1.00 62.35 O ATOM 0 H SER A 76 10.905 -1.254 8.522 1.00 53.01 H new ATOM 0 HA SER A 76 11.896 -0.615 5.798 1.00 2.22 H new ATOM 0 HB2 SER A 76 14.063 -0.435 7.448 1.00 3.50 H new ATOM 0 HB3 SER A 76 13.062 0.929 6.992 1.00 3.50 H new ATOM 0 HG SER A 76 11.971 0.822 8.924 1.00 62.35 H new ATOM 1151 N ARG A 77 11.832 -3.381 6.963 1.00 22.54 N ATOM 1152 CA ARG A 77 12.244 -4.772 6.863 1.00 61.22 C ATOM 1153 C ARG A 77 11.616 -5.394 5.619 1.00 12.44 C ATOM 1154 O ARG A 77 10.699 -4.816 5.035 1.00 11.43 O ATOM 1155 CB ARG A 77 11.813 -5.558 8.110 1.00 61.24 C ATOM 1156 CG ARG A 77 12.208 -4.921 9.436 1.00 60.41 C ATOM 1157 CD ARG A 77 13.706 -4.659 9.550 1.00 32.53 C ATOM 1158 NE ARG A 77 14.520 -5.850 9.299 1.00 13.15 N ATOM 1159 CZ ARG A 77 14.638 -6.880 10.146 1.00 13.02 C ATOM 1160 NH1 ARG A 77 13.972 -6.893 11.294 1.00 34.25 N ATOM 1161 NH2 ARG A 77 15.439 -7.896 9.842 1.00 10.13 N ATOM 0 H ARG A 77 10.864 -3.250 7.257 1.00 22.54 H new ATOM 0 HA ARG A 77 13.331 -4.813 6.790 1.00 61.22 H new ATOM 0 HB2 ARG A 77 10.730 -5.679 8.090 1.00 61.24 H new ATOM 0 HB3 ARG A 77 12.246 -6.557 8.060 1.00 61.24 H new ATOM 0 HG2 ARG A 77 11.670 -3.980 9.555 1.00 60.41 H new ATOM 0 HG3 ARG A 77 11.896 -5.572 10.253 1.00 60.41 H new ATOM 0 HD2 ARG A 77 13.987 -3.879 8.842 1.00 32.53 H new ATOM 0 HD3 ARG A 77 13.927 -4.279 10.547 1.00 32.53 H new ATOM 0 HE ARG A 77 15.032 -5.898 8.418 1.00 13.15 H new ATOM 0 HH11 ARG A 77 13.362 -6.113 11.539 1.00 34.25 H new ATOM 0 HH12 ARG A 77 14.070 -7.683 11.931 1.00 34.25 H new ATOM 0 HH21 ARG A 77 15.961 -7.889 8.966 1.00 10.13 H new ATOM 0 HH22 ARG A 77 15.532 -8.683 10.485 1.00 10.13 H new ATOM 1175 N PRO A 78 12.104 -6.565 5.180 1.00 35.41 N ATOM 1176 CA PRO A 78 11.494 -7.290 4.064 1.00 3.24 C ATOM 1177 C PRO A 78 10.056 -7.709 4.378 1.00 23.53 C ATOM 1178 O PRO A 78 9.819 -8.571 5.226 1.00 74.13 O ATOM 1179 CB PRO A 78 12.393 -8.518 3.886 1.00 41.20 C ATOM 1180 CG PRO A 78 13.132 -8.654 5.173 1.00 4.11 C ATOM 1181 CD PRO A 78 13.287 -7.262 5.712 1.00 51.31 C ATOM 0 HA PRO A 78 11.427 -6.677 3.165 1.00 3.24 H new ATOM 0 HB2 PRO A 78 11.803 -9.410 3.675 1.00 41.20 H new ATOM 0 HB3 PRO A 78 13.080 -8.385 3.050 1.00 41.20 H new ATOM 0 HG2 PRO A 78 12.583 -9.284 5.873 1.00 4.11 H new ATOM 0 HG3 PRO A 78 14.104 -9.122 5.017 1.00 4.11 H new ATOM 0 HD2 PRO A 78 13.305 -7.251 6.802 1.00 51.31 H new ATOM 0 HD3 PRO A 78 14.214 -6.799 5.373 1.00 51.31 H new ATOM 1189 N LEU A 79 9.100 -7.084 3.692 1.00 23.34 N ATOM 1190 CA LEU A 79 7.679 -7.338 3.930 1.00 12.33 C ATOM 1191 C LEU A 79 7.321 -8.796 3.633 1.00 0.45 C ATOM 1192 O LEU A 79 6.393 -9.353 4.221 1.00 52.02 O ATOM 1193 CB LEU A 79 6.826 -6.395 3.075 1.00 62.02 C ATOM 1194 CG LEU A 79 5.313 -6.482 3.309 1.00 24.00 C ATOM 1195 CD1 LEU A 79 4.969 -6.091 4.738 1.00 75.53 C ATOM 1196 CD2 LEU A 79 4.570 -5.598 2.319 1.00 11.11 C ATOM 0 H LEU A 79 9.285 -6.395 2.963 1.00 23.34 H new ATOM 0 HA LEU A 79 7.471 -7.150 4.983 1.00 12.33 H new ATOM 0 HB2 LEU A 79 7.147 -5.371 3.264 1.00 62.02 H new ATOM 0 HB3 LEU A 79 7.027 -6.604 2.024 1.00 62.02 H new ATOM 0 HG LEU A 79 4.999 -7.514 3.152 1.00 24.00 H new ATOM 0 HD11 LEU A 79 3.891 -6.159 4.884 1.00 75.53 H new ATOM 0 HD12 LEU A 79 5.473 -6.765 5.431 1.00 75.53 H new ATOM 0 HD13 LEU A 79 5.297 -5.068 4.924 1.00 75.53 H new ATOM 0 HD21 LEU A 79 3.498 -5.672 2.499 1.00 11.11 H new ATOM 0 HD22 LEU A 79 4.889 -4.563 2.445 1.00 11.11 H new ATOM 0 HD23 LEU A 79 4.790 -5.925 1.303 1.00 11.11 H new ATOM 1208 N GLY A 80 8.073 -9.412 2.726 1.00 51.51 N ATOM 1209 CA GLY A 80 7.852 -10.806 2.385 1.00 73.41 C ATOM 1210 C GLY A 80 8.075 -11.739 3.559 1.00 45.33 C ATOM 1211 O GLY A 80 7.541 -12.847 3.590 1.00 34.12 O ATOM 0 H GLY A 80 8.837 -8.967 2.218 1.00 51.51 H new ATOM 0 HA2 GLY A 80 6.833 -10.929 2.017 1.00 73.41 H new ATOM 0 HA3 GLY A 80 8.520 -11.087 1.571 1.00 73.41 H new ATOM 1215 N PHE A 81 8.848 -11.283 4.536 1.00 70.25 N ATOM 1216 CA PHE A 81 9.143 -12.085 5.716 1.00 15.52 C ATOM 1217 C PHE A 81 7.963 -12.042 6.685 1.00 41.11 C ATOM 1218 O PHE A 81 7.790 -12.933 7.516 1.00 73.21 O ATOM 1219 CB PHE A 81 10.415 -11.563 6.397 1.00 73.15 C ATOM 1220 CG PHE A 81 10.958 -12.469 7.470 1.00 53.13 C ATOM 1221 CD1 PHE A 81 11.692 -13.594 7.135 1.00 72.42 C ATOM 1222 CD2 PHE A 81 10.745 -12.187 8.809 1.00 73.43 C ATOM 1223 CE1 PHE A 81 12.202 -14.425 8.114 1.00 62.05 C ATOM 1224 CE2 PHE A 81 11.252 -13.014 9.794 1.00 71.25 C ATOM 1225 CZ PHE A 81 11.982 -14.135 9.447 1.00 11.13 C ATOM 0 H PHE A 81 9.283 -10.360 4.534 1.00 70.25 H new ATOM 0 HA PHE A 81 9.307 -13.119 5.414 1.00 15.52 H new ATOM 0 HB2 PHE A 81 11.184 -11.414 5.639 1.00 73.15 H new ATOM 0 HB3 PHE A 81 10.205 -10.587 6.834 1.00 73.15 H new ATOM 0 HD1 PHE A 81 11.868 -13.825 6.095 1.00 72.42 H new ATOM 0 HD2 PHE A 81 10.177 -11.312 9.087 1.00 73.43 H new ATOM 0 HE1 PHE A 81 12.772 -15.300 7.838 1.00 62.05 H new ATOM 0 HE2 PHE A 81 11.078 -12.784 10.835 1.00 71.25 H new ATOM 0 HZ PHE A 81 12.379 -14.782 10.215 1.00 11.13 H new ATOM 1235 N PHE A 82 7.145 -11.004 6.561 1.00 44.14 N ATOM 1236 CA PHE A 82 5.983 -10.828 7.420 1.00 34.43 C ATOM 1237 C PHE A 82 4.818 -11.700 6.947 1.00 14.40 C ATOM 1238 O PHE A 82 3.961 -12.089 7.747 1.00 72.15 O ATOM 1239 CB PHE A 82 5.567 -9.350 7.436 1.00 70.31 C ATOM 1240 CG PHE A 82 4.314 -9.062 8.216 1.00 51.24 C ATOM 1241 CD1 PHE A 82 4.347 -8.971 9.597 1.00 50.15 C ATOM 1242 CD2 PHE A 82 3.101 -8.881 7.565 1.00 52.03 C ATOM 1243 CE1 PHE A 82 3.195 -8.706 10.315 1.00 0.52 C ATOM 1244 CE2 PHE A 82 1.947 -8.616 8.277 1.00 12.50 C ATOM 1245 CZ PHE A 82 1.995 -8.529 9.657 1.00 34.43 C ATOM 0 H PHE A 82 7.268 -10.266 5.867 1.00 44.14 H new ATOM 0 HA PHE A 82 6.249 -11.137 8.431 1.00 34.43 H new ATOM 0 HB2 PHE A 82 6.383 -8.761 7.854 1.00 70.31 H new ATOM 0 HB3 PHE A 82 5.425 -9.015 6.409 1.00 70.31 H new ATOM 0 HD1 PHE A 82 5.282 -9.108 10.119 1.00 50.15 H new ATOM 0 HD2 PHE A 82 3.059 -8.948 6.488 1.00 52.03 H new ATOM 0 HE1 PHE A 82 3.235 -8.638 11.392 1.00 0.52 H new ATOM 0 HE2 PHE A 82 1.010 -8.477 7.758 1.00 12.50 H new ATOM 0 HZ PHE A 82 1.095 -8.323 10.218 1.00 34.43 H new ATOM 1255 N SER A 83 4.822 -12.017 5.651 1.00 5.31 N ATOM 1256 CA SER A 83 3.725 -12.739 5.006 1.00 13.21 C ATOM 1257 C SER A 83 2.458 -11.879 5.020 1.00 51.43 C ATOM 1258 O SER A 83 1.630 -11.969 5.930 1.00 53.45 O ATOM 1259 CB SER A 83 3.484 -14.098 5.681 1.00 34.24 C ATOM 1260 OG SER A 83 2.513 -14.866 4.983 1.00 4.42 O ATOM 0 H SER A 83 5.587 -11.780 5.019 1.00 5.31 H new ATOM 0 HA SER A 83 3.998 -12.938 3.970 1.00 13.21 H new ATOM 0 HB2 SER A 83 4.421 -14.652 5.728 1.00 34.24 H new ATOM 0 HB3 SER A 83 3.154 -13.941 6.708 1.00 34.24 H new ATOM 0 HG SER A 83 2.386 -15.724 5.439 1.00 4.42 H new ATOM 1266 N PRO A 84 2.319 -11.002 4.017 1.00 40.12 N ATOM 1267 CA PRO A 84 1.213 -10.050 3.932 1.00 61.31 C ATOM 1268 C PRO A 84 -0.110 -10.697 3.526 1.00 53.52 C ATOM 1269 O PRO A 84 -0.140 -11.756 2.888 1.00 54.44 O ATOM 1270 CB PRO A 84 1.667 -9.050 2.856 1.00 33.13 C ATOM 1271 CG PRO A 84 3.083 -9.405 2.542 1.00 34.05 C ATOM 1272 CD PRO A 84 3.233 -10.855 2.885 1.00 0.45 C ATOM 0 HA PRO A 84 1.014 -9.596 4.903 1.00 61.31 H new ATOM 0 HB2 PRO A 84 1.040 -9.120 1.967 1.00 33.13 H new ATOM 0 HB3 PRO A 84 1.592 -8.025 3.218 1.00 33.13 H new ATOM 0 HG2 PRO A 84 3.305 -9.228 1.490 1.00 34.05 H new ATOM 0 HG3 PRO A 84 3.776 -8.794 3.121 1.00 34.05 H new ATOM 0 HD2 PRO A 84 2.956 -11.501 2.052 1.00 0.45 H new ATOM 0 HD3 PRO A 84 4.259 -11.105 3.155 1.00 0.45 H new ATOM 1280 N PHE A 85 -1.200 -10.041 3.900 1.00 25.14 N ATOM 1281 CA PHE A 85 -2.538 -10.506 3.567 1.00 13.43 C ATOM 1282 C PHE A 85 -3.085 -9.719 2.377 1.00 41.34 C ATOM 1283 O PHE A 85 -2.388 -8.879 1.809 1.00 72.13 O ATOM 1284 CB PHE A 85 -3.469 -10.358 4.776 1.00 61.54 C ATOM 1285 CG PHE A 85 -3.026 -11.143 5.980 1.00 63.12 C ATOM 1286 CD1 PHE A 85 -3.392 -12.469 6.131 1.00 4.52 C ATOM 1287 CD2 PHE A 85 -2.247 -10.552 6.963 1.00 33.11 C ATOM 1288 CE1 PHE A 85 -2.987 -13.194 7.236 1.00 44.23 C ATOM 1289 CE2 PHE A 85 -1.840 -11.273 8.070 1.00 34.11 C ATOM 1290 CZ PHE A 85 -2.212 -12.594 8.207 1.00 11.55 C ATOM 0 H PHE A 85 -1.182 -9.176 4.440 1.00 25.14 H new ATOM 0 HA PHE A 85 -2.486 -11.561 3.297 1.00 13.43 H new ATOM 0 HB2 PHE A 85 -3.536 -9.304 5.045 1.00 61.54 H new ATOM 0 HB3 PHE A 85 -4.471 -10.679 4.493 1.00 61.54 H new ATOM 0 HD1 PHE A 85 -4.002 -12.943 5.376 1.00 4.52 H new ATOM 0 HD2 PHE A 85 -1.955 -9.517 6.863 1.00 33.11 H new ATOM 0 HE1 PHE A 85 -3.277 -14.229 7.339 1.00 44.23 H new ATOM 0 HE2 PHE A 85 -1.231 -10.802 8.827 1.00 34.11 H new ATOM 0 HZ PHE A 85 -1.897 -13.158 9.073 1.00 11.55 H new ATOM 1300 N ASP A 86 -4.334 -9.982 2.013 1.00 3.42 N ATOM 1301 CA ASP A 86 -4.944 -9.334 0.855 1.00 2.42 C ATOM 1302 C ASP A 86 -5.975 -8.295 1.281 1.00 25.34 C ATOM 1303 O ASP A 86 -6.691 -7.741 0.446 1.00 61.15 O ATOM 1304 CB ASP A 86 -5.600 -10.379 -0.064 1.00 3.13 C ATOM 1305 CG ASP A 86 -6.798 -11.071 0.568 1.00 50.10 C ATOM 1306 OD1 ASP A 86 -6.602 -12.060 1.306 1.00 24.41 O ATOM 1307 OD2 ASP A 86 -7.944 -10.643 0.314 1.00 54.14 O ATOM 0 H ASP A 86 -4.944 -10.638 2.501 1.00 3.42 H new ATOM 0 HA ASP A 86 -4.152 -8.824 0.306 1.00 2.42 H new ATOM 0 HB2 ASP A 86 -5.916 -9.893 -0.987 1.00 3.13 H new ATOM 0 HB3 ASP A 86 -4.858 -11.130 -0.336 1.00 3.13 H new ATOM 1312 N GLY A 87 -6.038 -8.019 2.574 1.00 10.11 N ATOM 1313 CA GLY A 87 -7.008 -7.069 3.077 1.00 45.22 C ATOM 1314 C GLY A 87 -6.371 -5.811 3.629 1.00 1.13 C ATOM 1315 O GLY A 87 -6.956 -5.132 4.470 1.00 41.14 O ATOM 0 H GLY A 87 -5.435 -8.435 3.284 1.00 10.11 H new ATOM 0 HA2 GLY A 87 -7.695 -6.800 2.275 1.00 45.22 H new ATOM 0 HA3 GLY A 87 -7.601 -7.543 3.859 1.00 45.22 H new ATOM 1319 N PHE A 88 -5.181 -5.486 3.145 1.00 31.33 N ATOM 1320 CA PHE A 88 -4.448 -4.328 3.637 1.00 11.53 C ATOM 1321 C PHE A 88 -4.952 -3.039 2.996 1.00 54.51 C ATOM 1322 O PHE A 88 -5.012 -2.921 1.770 1.00 73.14 O ATOM 1323 CB PHE A 88 -2.950 -4.492 3.375 1.00 10.12 C ATOM 1324 CG PHE A 88 -2.268 -5.479 4.286 1.00 53.33 C ATOM 1325 CD1 PHE A 88 -2.901 -5.950 5.428 1.00 74.22 C ATOM 1326 CD2 PHE A 88 -0.987 -5.919 4.005 1.00 50.42 C ATOM 1327 CE1 PHE A 88 -2.263 -6.840 6.271 1.00 1.21 C ATOM 1328 CE2 PHE A 88 -0.346 -6.809 4.844 1.00 42.11 C ATOM 1329 CZ PHE A 88 -0.984 -7.270 5.978 1.00 40.42 C ATOM 0 H PHE A 88 -4.702 -6.008 2.411 1.00 31.33 H new ATOM 0 HA PHE A 88 -4.616 -4.262 4.712 1.00 11.53 H new ATOM 0 HB2 PHE A 88 -2.806 -4.808 2.342 1.00 10.12 H new ATOM 0 HB3 PHE A 88 -2.466 -3.521 3.482 1.00 10.12 H new ATOM 0 HD1 PHE A 88 -3.902 -5.618 5.660 1.00 74.22 H new ATOM 0 HD2 PHE A 88 -0.482 -5.562 3.119 1.00 50.42 H new ATOM 0 HE1 PHE A 88 -2.764 -7.199 7.158 1.00 1.21 H new ATOM 0 HE2 PHE A 88 0.654 -7.144 4.613 1.00 42.11 H new ATOM 0 HZ PHE A 88 -0.484 -7.966 6.635 1.00 40.42 H new ATOM 1339 N ARG A 89 -5.329 -2.083 3.832 1.00 4.44 N ATOM 1340 CA ARG A 89 -5.793 -0.783 3.365 1.00 44.43 C ATOM 1341 C ARG A 89 -4.754 0.296 3.650 1.00 21.14 C ATOM 1342 O ARG A 89 -4.446 0.584 4.804 1.00 22.23 O ATOM 1343 CB ARG A 89 -7.111 -0.414 4.047 1.00 74.43 C ATOM 1344 CG ARG A 89 -8.283 -1.288 3.639 1.00 72.44 C ATOM 1345 CD ARG A 89 -9.532 -0.936 4.431 1.00 22.34 C ATOM 1346 NE ARG A 89 -10.717 -1.635 3.935 1.00 51.45 N ATOM 1347 CZ ARG A 89 -11.667 -2.144 4.718 1.00 30.12 C ATOM 1348 NH1 ARG A 89 -11.554 -2.093 6.040 1.00 22.21 N ATOM 1349 NH2 ARG A 89 -12.734 -2.713 4.178 1.00 73.23 N ATOM 0 H ARG A 89 -5.323 -2.184 4.847 1.00 4.44 H new ATOM 0 HA ARG A 89 -5.949 -0.847 2.288 1.00 44.43 H new ATOM 0 HB2 ARG A 89 -6.980 -0.480 5.127 1.00 74.43 H new ATOM 0 HB3 ARG A 89 -7.349 0.625 3.818 1.00 74.43 H new ATOM 0 HG2 ARG A 89 -8.478 -1.166 2.574 1.00 72.44 H new ATOM 0 HG3 ARG A 89 -8.031 -2.336 3.799 1.00 72.44 H new ATOM 0 HD2 ARG A 89 -9.377 -1.187 5.480 1.00 22.34 H new ATOM 0 HD3 ARG A 89 -9.700 0.140 4.382 1.00 22.34 H new ATOM 0 HE ARG A 89 -10.823 -1.739 2.926 1.00 51.45 H new ATOM 0 HH11 ARG A 89 -10.734 -1.661 6.465 1.00 22.21 H new ATOM 0 HH12 ARG A 89 -12.287 -2.486 6.630 1.00 22.21 H new ATOM 0 HH21 ARG A 89 -12.828 -2.761 3.163 1.00 73.23 H new ATOM 0 HH22 ARG A 89 -13.462 -3.103 4.777 1.00 73.23 H new ATOM 1363 N LEU A 90 -4.223 0.890 2.593 1.00 25.41 N ATOM 1364 CA LEU A 90 -3.256 1.967 2.724 1.00 60.42 C ATOM 1365 C LEU A 90 -3.976 3.303 2.819 1.00 63.10 C ATOM 1366 O LEU A 90 -4.212 3.963 1.807 1.00 34.44 O ATOM 1367 CB LEU A 90 -2.297 1.986 1.532 1.00 11.35 C ATOM 1368 CG LEU A 90 -1.335 0.802 1.439 1.00 1.33 C ATOM 1369 CD1 LEU A 90 -0.556 0.857 0.134 1.00 62.23 C ATOM 1370 CD2 LEU A 90 -0.381 0.802 2.623 1.00 71.34 C ATOM 0 H LEU A 90 -4.448 0.642 1.629 1.00 25.41 H new ATOM 0 HA LEU A 90 -2.679 1.798 3.633 1.00 60.42 H new ATOM 0 HB2 LEU A 90 -2.886 2.025 0.616 1.00 11.35 H new ATOM 0 HB3 LEU A 90 -1.711 2.904 1.574 1.00 11.35 H new ATOM 0 HG LEU A 90 -1.915 -0.120 1.460 1.00 1.33 H new ATOM 0 HD11 LEU A 90 0.125 0.008 0.081 1.00 62.23 H new ATOM 0 HD12 LEU A 90 -1.250 0.819 -0.706 1.00 62.23 H new ATOM 0 HD13 LEU A 90 0.016 1.784 0.090 1.00 62.23 H new ATOM 0 HD21 LEU A 90 0.298 -0.047 2.543 1.00 71.34 H new ATOM 0 HD22 LEU A 90 0.194 1.728 2.627 1.00 71.34 H new ATOM 0 HD23 LEU A 90 -0.951 0.725 3.549 1.00 71.34 H new ATOM 1382 N HIS A 91 -4.358 3.684 4.027 1.00 42.35 N ATOM 1383 CA HIS A 91 -5.051 4.943 4.225 1.00 54.41 C ATOM 1384 C HIS A 91 -4.051 6.047 4.528 1.00 51.41 C ATOM 1385 O HIS A 91 -3.596 6.194 5.665 1.00 44.02 O ATOM 1386 CB HIS A 91 -6.076 4.834 5.353 1.00 23.42 C ATOM 1387 CG HIS A 91 -6.981 6.024 5.464 1.00 23.42 C ATOM 1388 ND1 HIS A 91 -6.615 7.199 6.078 1.00 1.22 N ATOM 1389 CD2 HIS A 91 -8.249 6.206 5.031 1.00 35.32 C ATOM 1390 CE1 HIS A 91 -7.618 8.054 6.019 1.00 43.11 C ATOM 1391 NE2 HIS A 91 -8.625 7.478 5.387 1.00 31.53 N ATOM 0 H HIS A 91 -4.201 3.144 4.878 1.00 42.35 H new ATOM 0 HA HIS A 91 -5.584 5.187 3.306 1.00 54.41 H new ATOM 0 HB2 HIS A 91 -6.682 3.942 5.196 1.00 23.42 H new ATOM 0 HB3 HIS A 91 -5.550 4.700 6.298 1.00 23.42 H new ATOM 0 HD2 HIS A 91 -8.854 5.484 4.503 1.00 35.32 H new ATOM 0 HE1 HIS A 91 -7.616 9.057 6.420 1.00 43.11 H new ATOM 0 HE2 HIS A 91 -9.531 7.906 5.195 1.00 31.53 H new ATOM 1400 N ILE A 92 -3.703 6.803 3.503 1.00 43.23 N ATOM 1401 CA ILE A 92 -2.752 7.893 3.638 1.00 74.31 C ATOM 1402 C ILE A 92 -3.335 9.006 4.500 1.00 2.34 C ATOM 1403 O ILE A 92 -4.448 9.476 4.254 1.00 23.34 O ATOM 1404 CB ILE A 92 -2.367 8.465 2.254 1.00 24.20 C ATOM 1405 CG1 ILE A 92 -1.844 7.347 1.348 1.00 33.33 C ATOM 1406 CG2 ILE A 92 -1.324 9.568 2.397 1.00 24.14 C ATOM 1407 CD1 ILE A 92 -1.556 7.796 -0.071 1.00 74.41 C ATOM 0 H ILE A 92 -4.068 6.681 2.559 1.00 43.23 H new ATOM 0 HA ILE A 92 -1.857 7.496 4.117 1.00 74.31 H new ATOM 0 HB ILE A 92 -3.258 8.897 1.798 1.00 24.20 H new ATOM 0 HG12 ILE A 92 -0.932 6.937 1.782 1.00 33.33 H new ATOM 0 HG13 ILE A 92 -2.576 6.540 1.323 1.00 33.33 H new ATOM 0 HG21 ILE A 92 -1.068 9.956 1.411 1.00 24.14 H new ATOM 0 HG22 ILE A 92 -1.728 10.373 3.010 1.00 24.14 H new ATOM 0 HG23 ILE A 92 -0.430 9.164 2.872 1.00 24.14 H new ATOM 0 HD11 ILE A 92 -1.189 6.950 -0.653 1.00 74.41 H new ATOM 0 HD12 ILE A 92 -2.470 8.179 -0.524 1.00 74.41 H new ATOM 0 HD13 ILE A 92 -0.801 8.582 -0.058 1.00 74.41 H new ATOM 1419 N ILE A 93 -2.605 9.399 5.532 1.00 30.25 N ATOM 1420 CA ILE A 93 -3.015 10.519 6.359 1.00 61.44 C ATOM 1421 C ILE A 93 -2.470 11.812 5.762 1.00 43.43 C ATOM 1422 O ILE A 93 -1.335 12.213 6.033 1.00 4.40 O ATOM 1423 CB ILE A 93 -2.542 10.368 7.824 1.00 35.13 C ATOM 1424 CG1 ILE A 93 -3.078 9.064 8.429 1.00 1.23 C ATOM 1425 CG2 ILE A 93 -2.988 11.562 8.665 1.00 1.45 C ATOM 1426 CD1 ILE A 93 -4.590 8.965 8.444 1.00 13.41 C ATOM 0 H ILE A 93 -1.729 8.960 5.815 1.00 30.25 H new ATOM 0 HA ILE A 93 -4.105 10.544 6.375 1.00 61.44 H new ATOM 0 HB ILE A 93 -1.453 10.334 7.826 1.00 35.13 H new ATOM 0 HG12 ILE A 93 -2.675 8.222 7.866 1.00 1.23 H new ATOM 0 HG13 ILE A 93 -2.708 8.971 9.450 1.00 1.23 H new ATOM 0 HG21 ILE A 93 -2.644 11.433 9.691 1.00 1.45 H new ATOM 0 HG22 ILE A 93 -2.563 12.477 8.252 1.00 1.45 H new ATOM 0 HG23 ILE A 93 -4.076 11.629 8.653 1.00 1.45 H new ATOM 0 HD11 ILE A 93 -4.888 8.015 8.887 1.00 13.41 H new ATOM 0 HD12 ILE A 93 -5.002 9.785 9.032 1.00 13.41 H new ATOM 0 HD13 ILE A 93 -4.969 9.024 7.424 1.00 13.41 H new ATOM 1438 N ASP A 94 -3.275 12.419 4.907 1.00 54.11 N ATOM 1439 CA ASP A 94 -2.896 13.640 4.214 1.00 23.43 C ATOM 1440 C ASP A 94 -2.873 14.828 5.158 1.00 11.31 C ATOM 1441 O ASP A 94 -3.920 15.346 5.551 1.00 65.52 O ATOM 1442 CB ASP A 94 -3.860 13.929 3.061 1.00 74.20 C ATOM 1443 CG ASP A 94 -3.795 12.889 1.964 1.00 65.04 C ATOM 1444 OD1 ASP A 94 -2.867 12.965 1.128 1.00 2.11 O ATOM 1445 OD2 ASP A 94 -4.686 12.010 1.917 1.00 74.32 O ATOM 0 H ASP A 94 -4.208 12.081 4.673 1.00 54.11 H new ATOM 0 HA ASP A 94 -1.892 13.489 3.818 1.00 23.43 H new ATOM 0 HB2 ASP A 94 -4.878 13.978 3.449 1.00 74.20 H new ATOM 0 HB3 ASP A 94 -3.632 14.908 2.640 1.00 74.20 H new ATOM 1450 N LEU A 95 -1.676 15.233 5.541 1.00 15.42 N ATOM 1451 CA LEU A 95 -1.489 16.441 6.319 1.00 24.34 C ATOM 1452 C LEU A 95 -0.927 17.528 5.414 1.00 35.53 C ATOM 1453 O LEU A 95 -1.006 17.416 4.191 1.00 25.43 O ATOM 1454 CB LEU A 95 -0.547 16.179 7.500 1.00 72.00 C ATOM 1455 CG LEU A 95 -1.031 15.122 8.497 1.00 64.20 C ATOM 1456 CD1 LEU A 95 -0.006 14.925 9.605 1.00 4.42 C ATOM 1457 CD2 LEU A 95 -2.378 15.522 9.083 1.00 15.32 C ATOM 0 H LEU A 95 -0.812 14.737 5.323 1.00 15.42 H new ATOM 0 HA LEU A 95 -2.447 16.767 6.724 1.00 24.34 H new ATOM 0 HB2 LEU A 95 0.423 15.870 7.109 1.00 72.00 H new ATOM 0 HB3 LEU A 95 -0.391 17.116 8.035 1.00 72.00 H new ATOM 0 HG LEU A 95 -1.151 14.177 7.967 1.00 64.20 H new ATOM 0 HD11 LEU A 95 -0.367 14.171 10.304 1.00 4.42 H new ATOM 0 HD12 LEU A 95 0.939 14.597 9.172 1.00 4.42 H new ATOM 0 HD13 LEU A 95 0.145 15.867 10.133 1.00 4.42 H new ATOM 0 HD21 LEU A 95 -2.708 14.760 9.790 1.00 15.32 H new ATOM 0 HD22 LEU A 95 -2.281 16.478 9.598 1.00 15.32 H new ATOM 0 HD23 LEU A 95 -3.111 15.615 8.281 1.00 15.32 H new ATOM 1469 N ASP A 96 -0.356 18.563 6.003 1.00 53.53 N ATOM 1470 CA ASP A 96 0.191 19.671 5.229 1.00 72.41 C ATOM 1471 C ASP A 96 1.584 19.330 4.710 1.00 64.25 C ATOM 1472 O ASP A 96 2.499 19.051 5.486 1.00 64.22 O ATOM 1473 CB ASP A 96 0.231 20.956 6.069 1.00 32.23 C ATOM 1474 CG ASP A 96 1.139 20.850 7.281 1.00 32.24 C ATOM 1475 OD1 ASP A 96 0.760 20.163 8.253 1.00 24.13 O ATOM 1476 OD2 ASP A 96 2.228 21.465 7.271 1.00 30.34 O ATOM 0 H ASP A 96 -0.257 18.663 7.013 1.00 53.53 H new ATOM 0 HA ASP A 96 -0.463 19.841 4.374 1.00 72.41 H new ATOM 0 HB2 ASP A 96 0.567 21.782 5.442 1.00 32.23 H new ATOM 0 HB3 ASP A 96 -0.779 21.198 6.400 1.00 32.23 H new ATOM 1481 N PRO A 97 1.752 19.301 3.382 1.00 72.52 N ATOM 1482 CA PRO A 97 3.035 19.064 2.749 1.00 65.44 C ATOM 1483 C PRO A 97 3.760 20.371 2.445 1.00 62.20 C ATOM 1484 O PRO A 97 4.330 20.969 3.381 1.00 37.47 O ATOM 1485 CB PRO A 97 2.647 18.336 1.451 1.00 10.14 C ATOM 1486 CG PRO A 97 1.169 18.553 1.269 1.00 13.31 C ATOM 1487 CD PRO A 97 0.705 19.465 2.377 1.00 73.52 C ATOM 1488 OXT PRO A 97 3.750 20.804 1.272 1.00 37.47 O ATOM 0 HA PRO A 97 3.721 18.497 3.378 1.00 65.44 H new ATOM 0 HB2 PRO A 97 3.205 18.731 0.602 1.00 10.14 H new ATOM 0 HB3 PRO A 97 2.878 17.273 1.518 1.00 10.14 H new ATOM 0 HG2 PRO A 97 0.964 18.998 0.295 1.00 13.31 H new ATOM 0 HG3 PRO A 97 0.635 17.604 1.305 1.00 13.31 H new ATOM 0 HD2 PRO A 97 0.622 20.499 2.043 1.00 73.52 H new ATOM 0 HD3 PRO A 97 -0.273 19.174 2.759 1.00 73.52 H new TER 1496 PRO A 97