USER MOD reduce.3.24.130724 H: found=0, std=0, add=1450, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1448 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 21 SER OG : rot -33:sc= 1.3 USER MOD Set 1.2: B 80 TYR OH : rot -15:sc= 1.05 USER MOD Set 2.1: B 15 ASN : amide:sc= -0.491! C(o=-1.7!,f=-5.6!) USER MOD Set 2.2: B 67 HIS : no HE2:sc= -1.17! K(o=-1.7!,f=-2.4) USER MOD Set 3.1: B 37 ASN : amide:sc= 1.76 K(o=2.4,f=-6.5!) USER MOD Set 3.2: B 40 ASN : amide:sc= 0.691 K(o=2.4,f=0.86) USER MOD Set 4.1: A 80 TYR OH : rot 120:sc= 1.04 USER MOD Set 4.2: B 21 SER OG : rot -25:sc= 1.18 USER MOD Set 5.1: A 79 TYR OH : rot -147:sc= 1.25 USER MOD Set 5.2: B 83 ASN : amide:sc= 0.66 K(o=1.9,f=-0.55) USER MOD Set 6.1: A 15 ASN : amide:sc= -0.621 X(o=-0.7,f=-0.21) USER MOD Set 6.2: A 67 HIS : no HD1:sc= -0.0811 X(o=-0.7,f=-0.71) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 132:sc= 1.21 (180deg=0.602) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 137:sc= -0.111 (180deg=-0.436) USER MOD Single : A 23 THR OG1 : rot 85:sc= 1.21 USER MOD Single : A 26 THR OG1 : rot 69:sc= 0.648 USER MOD Single : A 28 TYR OH : rot 150:sc= -0.63 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.354 K(o=-0.35,f=-6.9!) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.073) USER MOD Single : A 45 TYR OH : rot -47:sc= 0.357 USER MOD Single : A 48 SER OG : rot -19:sc= 1.01 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 62 ASN : amide:sc= -0.0865 K(o=-0.086,f=-1.1) USER MOD Single : A 73 MET CE :methyl 158:sc= 0 (180deg=-0.11) USER MOD Single : A 77 THR OG1 : rot 77:sc= 0.251 USER MOD Single : A 78 LYS NZ :NH3+ 159:sc= -0.0989 (180deg=-1.59!) USER MOD Single : A 83 ASN : amide:sc= 1.24 K(o=1.2,f=-0.11) USER MOD Single : A 84 HIS :FLIP no HD1:sc= -0.105 F(o=-0.79,f=-0.1) USER MOD Single : A 89 LYS NZ :NH3+ -175:sc= 1.26 (180deg=1.06) USER MOD Single : B 1 MET CE :methyl 161:sc= -0.108 (180deg=-0.543) USER MOD Single : B 1 MET N :NH3+ -171:sc= -0.162 (180deg=-0.474) USER MOD Single : B 4 THR OG1 : rot 45:sc= 0.445 USER MOD Single : B 7 THR OG1 : rot -31:sc= 0.727 USER MOD Single : B 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 LYS NZ :NH3+ 169:sc= -0.0466 (180deg=-0.213) USER MOD Single : B 23 THR OG1 : rot 72:sc= 1.22 USER MOD Single : B 26 THR OG1 : rot 76:sc= 1.22 USER MOD Single : B 28 TYR OH : rot 110:sc= -1.77 USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 TYR OH : rot 180:sc= 0 USER MOD Single : B 41 GLN :FLIP amide:sc= -0.154 F(o=-1.1,f=-0.15) USER MOD Single : B 45 TYR OH : rot -15:sc= 0.537 USER MOD Single : B 48 SER OG : rot -33:sc= 0.324 USER MOD Single : B 53 TYR OH : rot 180:sc= 0 USER MOD Single : B 57 TYR OH : rot -179:sc= 0.49 USER MOD Single : B 58 GLN :FLIP amide:sc= -0.0806 F(o=-1.2,f=-0.081) USER MOD Single : B 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 73 MET CE :methyl 162:sc=-0.00846 (180deg=-0.406) USER MOD Single : B 77 THR OG1 : rot 76:sc= 0.847 USER MOD Single : B 78 LYS NZ :NH3+ 137:sc= -0.267 (180deg=-2.72!) USER MOD Single : B 79 TYR OH : rot 30:sc= -0.0141 USER MOD Single : B 84 HIS :FLIP no HD1:sc= -0.0697 F(o=-0.85,f=-0.07) USER MOD Single : B 89 LYS NZ :NH3+ -151:sc= 0.331 (180deg=0.0519) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.028 13.264 26.370 1.00 12.23 N ATOM 2 CA MET A 1 -20.456 12.013 26.854 1.00 3.21 C ATOM 3 C MET A 1 -19.292 11.641 25.967 1.00 73.24 C ATOM 4 O MET A 1 -19.050 12.292 24.941 1.00 21.30 O ATOM 5 CB MET A 1 -21.499 10.869 26.858 1.00 24.35 C ATOM 6 CG MET A 1 -22.718 11.084 27.759 1.00 55.41 C ATOM 7 SD MET A 1 -23.741 12.488 27.260 1.00 2.25 S ATOM 8 CE MET A 1 -25.050 12.406 28.479 1.00 43.44 C ATOM 0 H1 MET A 1 -22.061 13.169 26.301 1.00 12.23 H new ATOM 0 H2 MET A 1 -20.794 14.032 27.032 1.00 12.23 H new ATOM 0 H3 MET A 1 -20.637 13.485 25.432 1.00 12.23 H new ATOM 0 HA MET A 1 -20.125 12.156 27.883 1.00 3.21 H new ATOM 0 HB2 MET A 1 -21.848 10.717 25.837 1.00 24.35 H new ATOM 0 HB3 MET A 1 -21.001 9.949 27.165 1.00 24.35 H new ATOM 0 HG2 MET A 1 -23.327 10.180 27.755 1.00 55.41 H new ATOM 0 HG3 MET A 1 -22.380 11.236 28.784 1.00 55.41 H new ATOM 0 HE1 MET A 1 -25.763 13.211 28.302 1.00 43.44 H new ATOM 0 HE2 MET A 1 -25.560 11.446 28.401 1.00 43.44 H new ATOM 0 HE3 MET A 1 -24.625 12.511 29.477 1.00 43.44 H new ATOM 20 N GLY A 2 -18.565 10.622 26.346 1.00 13.11 N ATOM 21 CA GLY A 2 -17.451 10.184 25.560 1.00 12.22 C ATOM 22 C GLY A 2 -16.145 10.512 26.222 1.00 63.13 C ATOM 23 O GLY A 2 -15.397 9.610 26.595 1.00 5.12 O ATOM 0 H GLY A 2 -18.728 10.082 27.196 1.00 13.11 H new ATOM 0 HA2 GLY A 2 -17.518 9.108 25.400 1.00 12.22 H new ATOM 0 HA3 GLY A 2 -17.490 10.655 24.578 1.00 12.22 H new ATOM 27 N PHE A 3 -15.879 11.817 26.388 1.00 74.42 N ATOM 28 CA PHE A 3 -14.634 12.310 27.007 1.00 60.03 C ATOM 29 C PHE A 3 -13.424 11.874 26.211 1.00 4.05 C ATOM 30 O PHE A 3 -12.351 11.618 26.763 1.00 31.42 O ATOM 31 CB PHE A 3 -14.528 11.878 28.482 1.00 14.31 C ATOM 32 CG PHE A 3 -15.573 12.506 29.357 1.00 21.44 C ATOM 33 CD1 PHE A 3 -15.330 13.718 29.982 1.00 73.31 C ATOM 34 CD2 PHE A 3 -16.796 11.896 29.546 1.00 14.41 C ATOM 35 CE1 PHE A 3 -16.290 14.305 30.779 1.00 33.13 C ATOM 36 CE2 PHE A 3 -17.758 12.476 30.339 1.00 72.14 C ATOM 37 CZ PHE A 3 -17.505 13.682 30.958 1.00 51.23 C ATOM 0 H PHE A 3 -16.516 12.559 26.099 1.00 74.42 H new ATOM 0 HA PHE A 3 -14.664 13.399 26.993 1.00 60.03 H new ATOM 0 HB2 PHE A 3 -14.615 10.793 28.544 1.00 14.31 H new ATOM 0 HB3 PHE A 3 -13.540 12.140 28.861 1.00 14.31 H new ATOM 0 HD1 PHE A 3 -14.378 14.209 29.844 1.00 73.31 H new ATOM 0 HD2 PHE A 3 -17.000 10.951 29.065 1.00 14.41 H new ATOM 0 HE1 PHE A 3 -16.090 15.250 31.261 1.00 33.13 H new ATOM 0 HE2 PHE A 3 -18.711 11.987 30.477 1.00 72.14 H new ATOM 0 HZ PHE A 3 -18.259 14.138 31.583 1.00 51.23 H new ATOM 47 N THR A 4 -13.599 11.837 24.902 1.00 22.41 N ATOM 48 CA THR A 4 -12.568 11.439 23.991 1.00 4.42 C ATOM 49 C THR A 4 -11.417 12.460 23.991 1.00 44.25 C ATOM 50 O THR A 4 -11.498 13.528 23.365 1.00 45.22 O ATOM 51 CB THR A 4 -13.149 11.283 22.574 1.00 41.03 C ATOM 52 OG1 THR A 4 -14.283 10.393 22.625 1.00 65.34 O ATOM 53 CG2 THR A 4 -12.107 10.723 21.606 1.00 64.13 C ATOM 0 H THR A 4 -14.477 12.088 24.447 1.00 22.41 H new ATOM 0 HA THR A 4 -12.169 10.478 24.316 1.00 4.42 H new ATOM 0 HB THR A 4 -13.453 12.266 22.215 1.00 41.03 H new ATOM 0 HG1 THR A 4 -14.659 10.290 21.726 1.00 65.34 H new ATOM 0 HG21 THR A 4 -12.548 10.624 20.614 1.00 64.13 H new ATOM 0 HG22 THR A 4 -11.254 11.400 21.558 1.00 64.13 H new ATOM 0 HG23 THR A 4 -11.775 9.745 21.954 1.00 64.13 H new ATOM 61 N ASP A 5 -10.404 12.151 24.749 1.00 55.32 N ATOM 62 CA ASP A 5 -9.210 12.953 24.843 1.00 53.35 C ATOM 63 C ASP A 5 -8.071 12.048 25.187 1.00 65.21 C ATOM 64 O ASP A 5 -7.925 11.618 26.331 1.00 53.22 O ATOM 65 CB ASP A 5 -9.348 14.060 25.898 1.00 44.51 C ATOM 66 CG ASP A 5 -8.091 14.904 26.027 1.00 64.42 C ATOM 67 OD1 ASP A 5 -7.296 14.670 26.961 1.00 34.30 O ATOM 68 OD2 ASP A 5 -7.883 15.820 25.195 1.00 20.14 O ATOM 0 H ASP A 5 -10.381 11.316 25.334 1.00 55.32 H new ATOM 0 HA ASP A 5 -9.035 13.447 23.888 1.00 53.35 H new ATOM 0 HB2 ASP A 5 -10.188 14.703 25.636 1.00 44.51 H new ATOM 0 HB3 ASP A 5 -9.580 13.610 26.863 1.00 44.51 H new ATOM 73 N GLU A 6 -7.321 11.695 24.199 1.00 3.24 N ATOM 74 CA GLU A 6 -6.214 10.807 24.366 1.00 61.11 C ATOM 75 C GLU A 6 -5.167 11.246 23.360 1.00 34.14 C ATOM 76 O GLU A 6 -5.276 10.956 22.165 1.00 22.40 O ATOM 77 CB GLU A 6 -6.701 9.355 24.104 1.00 53.03 C ATOM 78 CG GLU A 6 -5.800 8.212 24.596 1.00 71.23 C ATOM 79 CD GLU A 6 -4.431 8.159 23.974 1.00 44.23 C ATOM 80 OE1 GLU A 6 -4.332 7.899 22.764 1.00 42.20 O ATOM 81 OE2 GLU A 6 -3.435 8.310 24.705 1.00 64.02 O ATOM 0 H GLU A 6 -7.458 12.017 23.241 1.00 3.24 H new ATOM 0 HA GLU A 6 -5.793 10.832 25.371 1.00 61.11 H new ATOM 0 HB2 GLU A 6 -7.680 9.238 24.570 1.00 53.03 H new ATOM 0 HB3 GLU A 6 -6.843 9.235 23.030 1.00 53.03 H new ATOM 0 HG2 GLU A 6 -5.687 8.300 25.677 1.00 71.23 H new ATOM 0 HG3 GLU A 6 -6.305 7.265 24.404 1.00 71.23 H new ATOM 88 N THR A 7 -4.219 12.008 23.819 1.00 33.44 N ATOM 89 CA THR A 7 -3.213 12.542 22.951 1.00 71.23 C ATOM 90 C THR A 7 -1.853 11.953 23.288 1.00 2.01 C ATOM 91 O THR A 7 -1.522 11.746 24.464 1.00 55.25 O ATOM 92 CB THR A 7 -3.178 14.108 23.007 1.00 73.13 C ATOM 93 OG1 THR A 7 -2.188 14.625 22.112 1.00 34.35 O ATOM 94 CG2 THR A 7 -2.896 14.619 24.414 1.00 62.01 C ATOM 0 H THR A 7 -4.122 12.275 24.799 1.00 33.44 H new ATOM 0 HA THR A 7 -3.467 12.260 21.929 1.00 71.23 H new ATOM 0 HB THR A 7 -4.165 14.457 22.704 1.00 73.13 H new ATOM 0 HG1 THR A 7 -2.183 15.604 22.160 1.00 34.35 H new ATOM 0 HG21 THR A 7 -2.880 15.709 24.409 1.00 62.01 H new ATOM 0 HG22 THR A 7 -3.676 14.271 25.091 1.00 62.01 H new ATOM 0 HG23 THR A 7 -1.930 14.244 24.750 1.00 62.01 H new ATOM 102 N VAL A 8 -1.086 11.670 22.272 1.00 43.51 N ATOM 103 CA VAL A 8 0.223 11.116 22.441 1.00 32.21 C ATOM 104 C VAL A 8 1.214 11.911 21.596 1.00 30.45 C ATOM 105 O VAL A 8 0.927 12.254 20.437 1.00 31.15 O ATOM 106 CB VAL A 8 0.259 9.591 22.075 1.00 50.52 C ATOM 107 CG1 VAL A 8 -0.126 9.342 20.619 1.00 31.31 C ATOM 108 CG2 VAL A 8 1.613 8.974 22.391 1.00 43.55 C ATOM 0 H VAL A 8 -1.355 11.819 21.300 1.00 43.51 H new ATOM 0 HA VAL A 8 0.504 11.190 23.492 1.00 32.21 H new ATOM 0 HB VAL A 8 -0.489 9.101 22.698 1.00 50.52 H new ATOM 0 HG11 VAL A 8 -0.087 8.273 20.410 1.00 31.31 H new ATOM 0 HG12 VAL A 8 -1.137 9.710 20.442 1.00 31.31 H new ATOM 0 HG13 VAL A 8 0.571 9.865 19.964 1.00 31.31 H new ATOM 0 HG21 VAL A 8 1.602 7.917 22.125 1.00 43.55 H new ATOM 0 HG22 VAL A 8 2.388 9.484 21.819 1.00 43.55 H new ATOM 0 HG23 VAL A 8 1.821 9.078 23.456 1.00 43.55 H new ATOM 118 N ARG A 9 2.334 12.246 22.171 1.00 1.45 N ATOM 119 CA ARG A 9 3.340 12.984 21.455 1.00 44.11 C ATOM 120 C ARG A 9 4.182 12.034 20.656 1.00 71.03 C ATOM 121 O ARG A 9 4.642 11.005 21.173 1.00 41.34 O ATOM 122 CB ARG A 9 4.241 13.849 22.379 1.00 74.24 C ATOM 123 CG ARG A 9 3.547 15.021 23.091 1.00 64.12 C ATOM 124 CD ARG A 9 2.531 14.567 24.128 1.00 71.42 C ATOM 125 NE ARG A 9 1.846 15.693 24.764 1.00 65.31 N ATOM 126 CZ ARG A 9 0.857 15.575 25.652 1.00 44.34 C ATOM 127 NH1 ARG A 9 0.476 14.366 26.080 1.00 2.44 N ATOM 128 NH2 ARG A 9 0.266 16.664 26.128 1.00 63.35 N ATOM 0 H ARG A 9 2.575 12.020 23.136 1.00 1.45 H new ATOM 0 HA ARG A 9 2.819 13.679 20.796 1.00 44.11 H new ATOM 0 HB2 ARG A 9 4.681 13.199 23.136 1.00 74.24 H new ATOM 0 HB3 ARG A 9 5.063 14.247 21.783 1.00 74.24 H new ATOM 0 HG2 ARG A 9 4.300 15.642 23.576 1.00 64.12 H new ATOM 0 HG3 ARG A 9 3.048 15.645 22.350 1.00 64.12 H new ATOM 0 HD2 ARG A 9 1.795 13.918 23.653 1.00 71.42 H new ATOM 0 HD3 ARG A 9 3.034 13.973 24.891 1.00 71.42 H new ATOM 0 HE ARG A 9 2.146 16.634 24.511 1.00 65.31 H new ATOM 0 HH11 ARG A 9 0.942 13.530 25.727 1.00 2.44 H new ATOM 0 HH12 ARG A 9 -0.280 14.280 26.759 1.00 2.44 H new ATOM 0 HH21 ARG A 9 0.568 17.586 25.815 1.00 63.35 H new ATOM 0 HH22 ARG A 9 -0.490 16.578 26.807 1.00 63.35 H new ATOM 142 N PHE A 10 4.360 12.337 19.406 1.00 65.31 N ATOM 143 CA PHE A 10 5.154 11.507 18.554 1.00 64.40 C ATOM 144 C PHE A 10 6.573 11.985 18.625 1.00 33.44 C ATOM 145 O PHE A 10 6.955 12.936 17.937 1.00 0.30 O ATOM 146 CB PHE A 10 4.654 11.555 17.104 1.00 14.32 C ATOM 147 CG PHE A 10 3.204 11.217 16.952 1.00 72.54 C ATOM 148 CD1 PHE A 10 2.776 9.904 16.960 1.00 71.25 C ATOM 149 CD2 PHE A 10 2.263 12.223 16.813 1.00 54.00 C ATOM 150 CE1 PHE A 10 1.438 9.601 16.829 1.00 31.13 C ATOM 151 CE2 PHE A 10 0.930 11.924 16.683 1.00 63.45 C ATOM 152 CZ PHE A 10 0.513 10.613 16.692 1.00 10.04 C ATOM 0 H PHE A 10 3.963 13.159 18.951 1.00 65.31 H new ATOM 0 HA PHE A 10 5.081 10.472 18.890 1.00 64.40 H new ATOM 0 HB2 PHE A 10 4.828 12.553 16.703 1.00 14.32 H new ATOM 0 HB3 PHE A 10 5.244 10.862 16.503 1.00 14.32 H new ATOM 0 HD1 PHE A 10 3.497 9.107 17.070 1.00 71.25 H new ATOM 0 HD2 PHE A 10 2.582 13.255 16.807 1.00 54.00 H new ATOM 0 HE1 PHE A 10 1.115 8.571 16.834 1.00 31.13 H new ATOM 0 HE2 PHE A 10 0.207 12.719 16.573 1.00 63.45 H new ATOM 0 HZ PHE A 10 -0.536 10.378 16.592 1.00 10.04 H new ATOM 162 N ASP A 11 7.340 11.383 19.492 1.00 0.53 N ATOM 163 CA ASP A 11 8.718 11.787 19.668 1.00 2.01 C ATOM 164 C ASP A 11 9.497 11.398 18.440 1.00 63.11 C ATOM 165 O ASP A 11 9.300 10.286 17.909 1.00 54.35 O ATOM 166 CB ASP A 11 9.320 11.150 20.910 1.00 24.14 C ATOM 167 CG ASP A 11 10.680 11.706 21.228 1.00 62.45 C ATOM 168 OD1 ASP A 11 10.745 12.719 21.949 1.00 71.44 O ATOM 169 OD2 ASP A 11 11.687 11.160 20.771 1.00 34.11 O ATOM 0 H ASP A 11 7.040 10.612 20.089 1.00 0.53 H new ATOM 0 HA ASP A 11 8.762 12.868 19.804 1.00 2.01 H new ATOM 0 HB2 ASP A 11 8.655 11.312 21.758 1.00 24.14 H new ATOM 0 HB3 ASP A 11 9.394 10.072 20.764 1.00 24.14 H new ATOM 174 N PHE A 12 10.350 12.286 17.964 1.00 64.22 N ATOM 175 CA PHE A 12 11.056 12.041 16.731 1.00 21.13 C ATOM 176 C PHE A 12 12.166 10.995 16.812 1.00 70.32 C ATOM 177 O PHE A 12 13.346 11.301 16.944 1.00 23.10 O ATOM 178 CB PHE A 12 11.455 13.326 15.955 1.00 54.51 C ATOM 179 CG PHE A 12 12.267 14.350 16.723 1.00 14.34 C ATOM 180 CD1 PHE A 12 11.636 15.377 17.404 1.00 62.23 C ATOM 181 CD2 PHE A 12 13.653 14.294 16.743 1.00 42.02 C ATOM 182 CE1 PHE A 12 12.369 16.324 18.089 1.00 15.44 C ATOM 183 CE2 PHE A 12 14.389 15.237 17.430 1.00 53.43 C ATOM 184 CZ PHE A 12 13.748 16.252 18.104 1.00 1.12 C ATOM 0 H PHE A 12 10.566 13.176 18.413 1.00 64.22 H new ATOM 0 HA PHE A 12 10.301 11.564 16.106 1.00 21.13 H new ATOM 0 HB2 PHE A 12 12.023 13.030 15.073 1.00 54.51 H new ATOM 0 HB3 PHE A 12 10.544 13.808 15.600 1.00 54.51 H new ATOM 0 HD1 PHE A 12 10.558 15.438 17.399 1.00 62.23 H new ATOM 0 HD2 PHE A 12 14.162 13.502 16.214 1.00 42.02 H new ATOM 0 HE1 PHE A 12 11.864 17.122 18.614 1.00 15.44 H new ATOM 0 HE2 PHE A 12 15.467 15.179 17.439 1.00 53.43 H new ATOM 0 HZ PHE A 12 14.323 16.990 18.643 1.00 1.12 H new ATOM 194 N ASP A 13 11.744 9.761 16.804 1.00 54.15 N ATOM 195 CA ASP A 13 12.635 8.636 16.690 1.00 24.24 C ATOM 196 C ASP A 13 12.854 8.404 15.227 1.00 51.31 C ATOM 197 O ASP A 13 11.892 8.216 14.467 1.00 11.54 O ATOM 198 CB ASP A 13 12.040 7.387 17.353 1.00 44.31 C ATOM 199 CG ASP A 13 12.844 6.118 17.095 1.00 73.33 C ATOM 200 OD1 ASP A 13 12.467 5.336 16.185 1.00 62.21 O ATOM 201 OD2 ASP A 13 13.836 5.873 17.796 1.00 5.11 O ATOM 0 H ASP A 13 10.760 9.503 16.877 1.00 54.15 H new ATOM 0 HA ASP A 13 13.576 8.841 17.200 1.00 24.24 H new ATOM 0 HB2 ASP A 13 11.974 7.553 18.428 1.00 44.31 H new ATOM 0 HB3 ASP A 13 11.022 7.243 16.990 1.00 44.31 H new ATOM 206 N ASP A 14 14.064 8.461 14.817 1.00 44.00 N ATOM 207 CA ASP A 14 14.376 8.365 13.423 1.00 71.01 C ATOM 208 C ASP A 14 14.860 6.989 13.049 1.00 53.55 C ATOM 209 O ASP A 14 15.874 6.512 13.567 1.00 4.42 O ATOM 210 CB ASP A 14 15.400 9.416 13.049 1.00 63.21 C ATOM 211 CG ASP A 14 15.789 9.344 11.603 1.00 50.04 C ATOM 212 OD1 ASP A 14 14.994 9.767 10.743 1.00 1.15 O ATOM 213 OD2 ASP A 14 16.895 8.880 11.304 1.00 74.23 O ATOM 0 H ASP A 14 14.873 8.575 15.428 1.00 44.00 H new ATOM 0 HA ASP A 14 13.460 8.544 12.861 1.00 71.01 H new ATOM 0 HB2 ASP A 14 14.997 10.405 13.265 1.00 63.21 H new ATOM 0 HB3 ASP A 14 16.288 9.291 13.668 1.00 63.21 H new ATOM 218 N ASN A 15 14.131 6.350 12.156 1.00 3.44 N ATOM 219 CA ASN A 15 14.491 5.030 11.672 1.00 44.15 C ATOM 220 C ASN A 15 15.601 5.173 10.657 1.00 55.31 C ATOM 221 O ASN A 15 15.488 5.965 9.726 1.00 55.41 O ATOM 222 CB ASN A 15 13.290 4.324 11.027 1.00 14.43 C ATOM 223 CG ASN A 15 12.105 4.082 11.961 1.00 44.21 C ATOM 224 OD1 ASN A 15 10.948 4.049 11.517 1.00 12.41 O ATOM 225 ND2 ASN A 15 12.366 3.894 13.232 1.00 64.44 N ATOM 0 H ASN A 15 13.277 6.728 11.746 1.00 3.44 H new ATOM 0 HA ASN A 15 14.820 4.424 12.516 1.00 44.15 H new ATOM 0 HB2 ASN A 15 12.950 4.919 10.180 1.00 14.43 H new ATOM 0 HB3 ASN A 15 13.622 3.365 10.630 1.00 14.43 H new ATOM 0 HD21 ASN A 15 11.606 3.714 13.888 1.00 64.44 H new ATOM 0 HD22 ASN A 15 13.329 3.928 13.565 1.00 64.44 H new ATOM 232 N ARG A 16 16.658 4.418 10.838 1.00 25.42 N ATOM 233 CA ARG A 16 17.860 4.514 10.008 1.00 61.34 C ATOM 234 C ARG A 16 17.621 4.280 8.501 1.00 23.35 C ATOM 235 O ARG A 16 17.646 5.232 7.706 1.00 61.22 O ATOM 236 CB ARG A 16 18.944 3.584 10.541 1.00 44.25 C ATOM 237 CG ARG A 16 20.225 3.584 9.741 1.00 21.52 C ATOM 238 CD ARG A 16 21.208 2.614 10.326 1.00 55.54 C ATOM 239 NE ARG A 16 22.436 2.527 9.546 1.00 21.23 N ATOM 240 CZ ARG A 16 23.337 1.544 9.671 1.00 4.44 C ATOM 241 NH1 ARG A 16 23.114 0.535 10.506 1.00 5.54 N ATOM 242 NH2 ARG A 16 24.450 1.559 8.941 1.00 40.14 N ATOM 0 H ARG A 16 16.720 3.710 11.569 1.00 25.42 H new ATOM 0 HA ARG A 16 18.192 5.550 10.083 1.00 61.34 H new ATOM 0 HB2 ARG A 16 19.173 3.867 11.568 1.00 44.25 H new ATOM 0 HB3 ARG A 16 18.550 2.568 10.570 1.00 44.25 H new ATOM 0 HG2 ARG A 16 20.014 3.318 8.705 1.00 21.52 H new ATOM 0 HG3 ARG A 16 20.655 4.586 9.731 1.00 21.52 H new ATOM 0 HD2 ARG A 16 21.449 2.916 11.345 1.00 55.54 H new ATOM 0 HD3 ARG A 16 20.749 1.627 10.386 1.00 55.54 H new ATOM 0 HE ARG A 16 22.621 3.261 8.862 1.00 21.23 H new ATOM 0 HH11 ARG A 16 22.254 0.507 11.054 1.00 5.54 H new ATOM 0 HH12 ARG A 16 23.802 -0.212 10.599 1.00 5.54 H new ATOM 0 HH21 ARG A 16 24.619 2.321 8.284 1.00 40.14 H new ATOM 0 HH22 ARG A 16 25.134 0.809 9.039 1.00 40.14 H new ATOM 256 N LYS A 17 17.393 3.042 8.105 1.00 53.43 N ATOM 257 CA LYS A 17 17.263 2.725 6.695 1.00 40.40 C ATOM 258 C LYS A 17 16.348 1.499 6.547 1.00 53.13 C ATOM 259 O LYS A 17 16.284 0.671 7.462 1.00 12.24 O ATOM 260 CB LYS A 17 18.667 2.444 6.124 1.00 24.32 C ATOM 261 CG LYS A 17 18.760 2.426 4.613 1.00 55.43 C ATOM 262 CD LYS A 17 18.414 3.781 4.026 1.00 52.11 C ATOM 263 CE LYS A 17 18.544 3.772 2.524 1.00 52.10 C ATOM 264 NZ LYS A 17 18.243 5.084 1.940 1.00 74.23 N ATOM 0 H LYS A 17 17.295 2.245 8.734 1.00 53.43 H new ATOM 0 HA LYS A 17 16.821 3.555 6.144 1.00 40.40 H new ATOM 0 HB2 LYS A 17 19.354 3.200 6.505 1.00 24.32 H new ATOM 0 HB3 LYS A 17 19.010 1.482 6.504 1.00 24.32 H new ATOM 0 HG2 LYS A 17 19.768 2.143 4.311 1.00 55.43 H new ATOM 0 HG3 LYS A 17 18.084 1.670 4.213 1.00 55.43 H new ATOM 0 HD2 LYS A 17 17.395 4.052 4.304 1.00 52.11 H new ATOM 0 HD3 LYS A 17 19.072 4.541 4.446 1.00 52.11 H new ATOM 0 HE2 LYS A 17 19.556 3.476 2.249 1.00 52.10 H new ATOM 0 HE3 LYS A 17 17.869 3.025 2.106 1.00 52.10 H new ATOM 0 HZ1 LYS A 17 18.344 5.035 0.906 1.00 74.23 H new ATOM 0 HZ2 LYS A 17 17.268 5.356 2.180 1.00 74.23 H new ATOM 0 HZ3 LYS A 17 18.903 5.792 2.319 1.00 74.23 H new ATOM 278 N LYS A 18 15.640 1.390 5.409 1.00 72.20 N ATOM 279 CA LYS A 18 14.619 0.340 5.192 1.00 63.24 C ATOM 280 C LYS A 18 13.513 0.461 6.219 1.00 33.44 C ATOM 281 O LYS A 18 12.888 -0.526 6.594 1.00 74.01 O ATOM 282 CB LYS A 18 15.175 -1.113 5.177 1.00 13.04 C ATOM 283 CG LYS A 18 15.927 -1.535 3.912 1.00 54.24 C ATOM 284 CD LYS A 18 17.290 -0.890 3.759 1.00 61.53 C ATOM 285 CE LYS A 18 18.264 -1.356 4.841 1.00 51.13 C ATOM 286 NZ LYS A 18 18.449 -2.822 4.810 1.00 54.22 N ATOM 0 H LYS A 18 15.755 2.021 4.616 1.00 72.20 H new ATOM 0 HA LYS A 18 14.230 0.518 4.190 1.00 63.24 H new ATOM 0 HB2 LYS A 18 15.844 -1.233 6.029 1.00 13.04 H new ATOM 0 HB3 LYS A 18 14.342 -1.800 5.326 1.00 13.04 H new ATOM 0 HG2 LYS A 18 16.048 -2.618 3.918 1.00 54.24 H new ATOM 0 HG3 LYS A 18 15.320 -1.287 3.041 1.00 54.24 H new ATOM 0 HD2 LYS A 18 17.697 -1.129 2.776 1.00 61.53 H new ATOM 0 HD3 LYS A 18 17.186 0.194 3.806 1.00 61.53 H new ATOM 0 HE2 LYS A 18 19.227 -0.864 4.702 1.00 51.13 H new ATOM 0 HE3 LYS A 18 17.892 -1.056 5.821 1.00 51.13 H new ATOM 0 HZ1 LYS A 18 19.458 -3.047 4.927 1.00 54.22 H new ATOM 0 HZ2 LYS A 18 17.905 -3.257 5.582 1.00 54.22 H new ATOM 0 HZ3 LYS A 18 18.115 -3.195 3.898 1.00 54.22 H new ATOM 300 N ALA A 19 13.238 1.686 6.612 1.00 4.03 N ATOM 301 CA ALA A 19 12.260 1.982 7.643 1.00 23.05 C ATOM 302 C ALA A 19 10.863 1.569 7.247 1.00 45.40 C ATOM 303 O ALA A 19 10.108 1.037 8.060 1.00 73.31 O ATOM 304 CB ALA A 19 12.269 3.436 7.932 1.00 14.23 C ATOM 0 H ALA A 19 13.690 2.514 6.223 1.00 4.03 H new ATOM 0 HA ALA A 19 12.539 1.410 8.528 1.00 23.05 H new ATOM 0 HB1 ALA A 19 11.534 3.658 8.706 1.00 14.23 H new ATOM 0 HB2 ALA A 19 13.260 3.732 8.276 1.00 14.23 H new ATOM 0 HB3 ALA A 19 12.019 3.989 7.026 1.00 14.23 H new ATOM 310 N ILE A 20 10.520 1.806 6.004 1.00 52.12 N ATOM 311 CA ILE A 20 9.198 1.486 5.500 1.00 50.31 C ATOM 312 C ILE A 20 9.041 -0.024 5.437 1.00 24.40 C ATOM 313 O ILE A 20 7.980 -0.580 5.752 1.00 74.42 O ATOM 314 CB ILE A 20 8.987 2.112 4.098 1.00 31.15 C ATOM 315 CG1 ILE A 20 9.174 3.638 4.182 1.00 4.22 C ATOM 316 CG2 ILE A 20 7.611 1.757 3.543 1.00 50.43 C ATOM 317 CD1 ILE A 20 9.082 4.352 2.856 1.00 3.31 C ATOM 0 H ILE A 20 11.143 2.224 5.313 1.00 52.12 H new ATOM 0 HA ILE A 20 8.445 1.900 6.171 1.00 50.31 H new ATOM 0 HB ILE A 20 9.729 1.704 3.412 1.00 31.15 H new ATOM 0 HG12 ILE A 20 8.420 4.048 4.854 1.00 4.22 H new ATOM 0 HG13 ILE A 20 10.146 3.849 4.627 1.00 4.22 H new ATOM 0 HG21 ILE A 20 7.488 2.208 2.559 1.00 50.43 H new ATOM 0 HG22 ILE A 20 7.521 0.674 3.459 1.00 50.43 H new ATOM 0 HG23 ILE A 20 6.840 2.135 4.214 1.00 50.43 H new ATOM 0 HD11 ILE A 20 9.225 5.422 3.008 1.00 3.31 H new ATOM 0 HD12 ILE A 20 9.854 3.974 2.185 1.00 3.31 H new ATOM 0 HD13 ILE A 20 8.101 4.176 2.416 1.00 3.31 H new ATOM 329 N SER A 21 10.122 -0.673 5.100 1.00 32.35 N ATOM 330 CA SER A 21 10.149 -2.109 4.985 1.00 75.31 C ATOM 331 C SER A 21 10.109 -2.742 6.374 1.00 53.15 C ATOM 332 O SER A 21 9.539 -3.812 6.567 1.00 64.20 O ATOM 333 CB SER A 21 11.411 -2.543 4.234 1.00 45.54 C ATOM 334 OG SER A 21 11.485 -1.919 2.950 1.00 44.04 O ATOM 0 H SER A 21 11.013 -0.221 4.896 1.00 32.35 H new ATOM 0 HA SER A 21 9.275 -2.444 4.426 1.00 75.31 H new ATOM 0 HB2 SER A 21 12.293 -2.284 4.819 1.00 45.54 H new ATOM 0 HB3 SER A 21 11.413 -3.627 4.116 1.00 45.54 H new ATOM 0 HG SER A 21 10.581 -1.801 2.591 1.00 44.04 H new ATOM 340 N GLU A 22 10.702 -2.053 7.321 1.00 64.11 N ATOM 341 CA GLU A 22 10.796 -2.505 8.690 1.00 41.33 C ATOM 342 C GLU A 22 9.453 -2.347 9.397 1.00 15.35 C ATOM 343 O GLU A 22 8.938 -3.285 10.005 1.00 14.24 O ATOM 344 CB GLU A 22 11.833 -1.631 9.396 1.00 42.13 C ATOM 345 CG GLU A 22 12.202 -2.077 10.779 1.00 73.41 C ATOM 346 CD GLU A 22 12.833 -3.452 10.774 1.00 0.32 C ATOM 347 OE1 GLU A 22 14.032 -3.560 10.412 1.00 35.45 O ATOM 348 OE2 GLU A 22 12.152 -4.436 11.129 1.00 20.52 O ATOM 0 H GLU A 22 11.140 -1.146 7.159 1.00 64.11 H new ATOM 0 HA GLU A 22 11.080 -3.557 8.714 1.00 41.33 H new ATOM 0 HB2 GLU A 22 12.736 -1.602 8.787 1.00 42.13 H new ATOM 0 HB3 GLU A 22 11.451 -0.611 9.449 1.00 42.13 H new ATOM 0 HG2 GLU A 22 12.895 -1.360 11.220 1.00 73.41 H new ATOM 0 HG3 GLU A 22 11.312 -2.088 11.408 1.00 73.41 H new ATOM 355 N THR A 23 8.881 -1.165 9.264 1.00 72.31 N ATOM 356 CA THR A 23 7.657 -0.806 9.940 1.00 42.04 C ATOM 357 C THR A 23 6.493 -1.722 9.561 1.00 71.13 C ATOM 358 O THR A 23 5.861 -2.314 10.436 1.00 64.21 O ATOM 359 CB THR A 23 7.307 0.673 9.666 1.00 22.01 C ATOM 360 OG1 THR A 23 8.395 1.505 10.121 1.00 13.52 O ATOM 361 CG2 THR A 23 6.021 1.084 10.373 1.00 74.41 C ATOM 0 H THR A 23 9.260 -0.422 8.677 1.00 72.31 H new ATOM 0 HA THR A 23 7.825 -0.937 11.009 1.00 42.04 H new ATOM 0 HB THR A 23 7.154 0.798 8.594 1.00 22.01 H new ATOM 0 HG1 THR A 23 9.079 1.560 9.421 1.00 13.52 H new ATOM 0 HG21 THR A 23 5.806 2.131 10.158 1.00 74.41 H new ATOM 0 HG22 THR A 23 5.197 0.464 10.019 1.00 74.41 H new ATOM 0 HG23 THR A 23 6.139 0.952 11.449 1.00 74.41 H new ATOM 369 N LEU A 24 6.245 -1.884 8.269 1.00 70.30 N ATOM 370 CA LEU A 24 5.117 -2.698 7.814 1.00 11.54 C ATOM 371 C LEU A 24 5.306 -4.164 8.180 1.00 35.51 C ATOM 372 O LEU A 24 4.342 -4.881 8.434 1.00 43.32 O ATOM 373 CB LEU A 24 4.895 -2.544 6.314 1.00 0.11 C ATOM 374 CG LEU A 24 4.579 -1.137 5.810 1.00 63.32 C ATOM 375 CD1 LEU A 24 4.376 -1.160 4.313 1.00 62.33 C ATOM 376 CD2 LEU A 24 3.348 -0.567 6.510 1.00 52.51 C ATOM 0 H LEU A 24 6.801 -1.469 7.521 1.00 70.30 H new ATOM 0 HA LEU A 24 4.227 -2.335 8.328 1.00 11.54 H new ATOM 0 HB2 LEU A 24 5.788 -2.897 5.799 1.00 0.11 H new ATOM 0 HB3 LEU A 24 4.077 -3.202 6.021 1.00 0.11 H new ATOM 0 HG LEU A 24 5.424 -0.489 6.043 1.00 63.32 H new ATOM 0 HD11 LEU A 24 4.151 -0.153 3.961 1.00 62.33 H new ATOM 0 HD12 LEU A 24 5.284 -1.520 3.828 1.00 62.33 H new ATOM 0 HD13 LEU A 24 3.547 -1.824 4.068 1.00 62.33 H new ATOM 0 HD21 LEU A 24 3.146 0.435 6.132 1.00 52.51 H new ATOM 0 HD22 LEU A 24 2.489 -1.209 6.315 1.00 52.51 H new ATOM 0 HD23 LEU A 24 3.529 -0.520 7.584 1.00 52.51 H new ATOM 388 N GLU A 25 6.553 -4.588 8.239 1.00 3.30 N ATOM 389 CA GLU A 25 6.891 -5.953 8.578 1.00 62.45 C ATOM 390 C GLU A 25 6.571 -6.207 10.061 1.00 53.12 C ATOM 391 O GLU A 25 6.131 -7.299 10.447 1.00 21.13 O ATOM 392 CB GLU A 25 8.370 -6.184 8.278 1.00 60.40 C ATOM 393 CG GLU A 25 8.853 -7.601 8.465 1.00 61.35 C ATOM 394 CD GLU A 25 10.315 -7.736 8.135 1.00 34.53 C ATOM 395 OE1 GLU A 25 10.649 -7.927 6.950 1.00 71.44 O ATOM 396 OE2 GLU A 25 11.160 -7.638 9.065 1.00 40.14 O ATOM 0 H GLU A 25 7.361 -3.993 8.053 1.00 3.30 H new ATOM 0 HA GLU A 25 6.303 -6.652 7.983 1.00 62.45 H new ATOM 0 HB2 GLU A 25 8.566 -5.884 7.249 1.00 60.40 H new ATOM 0 HB3 GLU A 25 8.960 -5.529 8.919 1.00 60.40 H new ATOM 0 HG2 GLU A 25 8.682 -7.911 9.496 1.00 61.35 H new ATOM 0 HG3 GLU A 25 8.273 -8.271 7.830 1.00 61.35 H new ATOM 403 N THR A 26 6.780 -5.191 10.879 1.00 53.33 N ATOM 404 CA THR A 26 6.459 -5.264 12.283 1.00 73.14 C ATOM 405 C THR A 26 4.928 -5.203 12.471 1.00 75.34 C ATOM 406 O THR A 26 4.349 -5.970 13.250 1.00 52.03 O ATOM 407 CB THR A 26 7.126 -4.110 13.059 1.00 15.05 C ATOM 408 OG1 THR A 26 8.543 -4.105 12.796 1.00 20.30 O ATOM 409 CG2 THR A 26 6.904 -4.285 14.544 1.00 11.14 C ATOM 0 H THR A 26 7.176 -4.298 10.585 1.00 53.33 H new ATOM 0 HA THR A 26 6.838 -6.208 12.675 1.00 73.14 H new ATOM 0 HB THR A 26 6.684 -3.168 12.734 1.00 15.05 H new ATOM 0 HG1 THR A 26 8.702 -3.835 11.867 1.00 20.30 H new ATOM 0 HG21 THR A 26 7.379 -3.465 15.082 1.00 11.14 H new ATOM 0 HG22 THR A 26 5.835 -4.286 14.754 1.00 11.14 H new ATOM 0 HG23 THR A 26 7.338 -5.231 14.868 1.00 11.14 H new ATOM 417 N VAL A 27 4.287 -4.301 11.727 1.00 71.45 N ATOM 418 CA VAL A 27 2.836 -4.125 11.781 1.00 75.01 C ATOM 419 C VAL A 27 2.112 -5.413 11.379 1.00 71.04 C ATOM 420 O VAL A 27 1.124 -5.793 12.000 1.00 22.44 O ATOM 421 CB VAL A 27 2.357 -2.941 10.872 1.00 72.34 C ATOM 422 CG1 VAL A 27 0.846 -2.817 10.895 1.00 63.35 C ATOM 423 CG2 VAL A 27 2.975 -1.626 11.322 1.00 31.11 C ATOM 0 H VAL A 27 4.757 -3.675 11.073 1.00 71.45 H new ATOM 0 HA VAL A 27 2.585 -3.883 12.814 1.00 75.01 H new ATOM 0 HB VAL A 27 2.682 -3.159 9.855 1.00 72.34 H new ATOM 0 HG11 VAL A 27 0.539 -1.988 10.257 1.00 63.35 H new ATOM 0 HG12 VAL A 27 0.399 -3.742 10.529 1.00 63.35 H new ATOM 0 HG13 VAL A 27 0.512 -2.632 11.916 1.00 63.35 H new ATOM 0 HG21 VAL A 27 2.627 -0.820 10.675 1.00 31.11 H new ATOM 0 HG22 VAL A 27 2.680 -1.419 12.351 1.00 31.11 H new ATOM 0 HG23 VAL A 27 4.061 -1.695 11.263 1.00 31.11 H new ATOM 433 N TYR A 28 2.639 -6.095 10.369 1.00 63.02 N ATOM 434 CA TYR A 28 2.035 -7.330 9.862 1.00 53.25 C ATOM 435 C TYR A 28 1.900 -8.369 10.993 1.00 11.13 C ATOM 436 O TYR A 28 0.843 -8.983 11.163 1.00 50.25 O ATOM 437 CB TYR A 28 2.860 -7.892 8.676 1.00 53.23 C ATOM 438 CG TYR A 28 2.247 -9.109 7.989 1.00 60.03 C ATOM 439 CD1 TYR A 28 2.470 -10.379 8.470 1.00 61.31 C ATOM 440 CD2 TYR A 28 1.447 -8.974 6.854 1.00 54.51 C ATOM 441 CE1 TYR A 28 1.917 -11.483 7.854 1.00 64.35 C ATOM 442 CE2 TYR A 28 0.890 -10.083 6.230 1.00 43.22 C ATOM 443 CZ TYR A 28 1.132 -11.331 6.740 1.00 42.13 C ATOM 444 OH TYR A 28 0.572 -12.442 6.143 1.00 42.14 O ATOM 0 H TYR A 28 3.489 -5.815 9.880 1.00 63.02 H new ATOM 0 HA TYR A 28 1.034 -7.104 9.495 1.00 53.25 H new ATOM 0 HB2 TYR A 28 2.991 -7.102 7.936 1.00 53.23 H new ATOM 0 HB3 TYR A 28 3.854 -8.158 9.037 1.00 53.23 H new ATOM 0 HD1 TYR A 28 3.089 -10.514 9.345 1.00 61.31 H new ATOM 0 HD2 TYR A 28 1.257 -7.989 6.453 1.00 54.51 H new ATOM 0 HE1 TYR A 28 2.103 -12.470 8.251 1.00 64.35 H new ATOM 0 HE2 TYR A 28 0.273 -9.963 5.352 1.00 43.22 H new ATOM 0 HH TYR A 28 -0.276 -12.193 5.720 1.00 42.14 H new ATOM 454 N ARG A 29 2.961 -8.517 11.780 1.00 22.35 N ATOM 455 CA ARG A 29 2.974 -9.458 12.904 1.00 22.20 C ATOM 456 C ARG A 29 1.969 -9.085 13.979 1.00 61.34 C ATOM 457 O ARG A 29 1.354 -9.965 14.600 1.00 15.33 O ATOM 458 CB ARG A 29 4.368 -9.566 13.512 1.00 12.00 C ATOM 459 CG ARG A 29 5.366 -10.329 12.669 1.00 14.52 C ATOM 460 CD ARG A 29 4.930 -11.777 12.517 1.00 31.02 C ATOM 461 NE ARG A 29 4.770 -12.439 13.829 1.00 22.22 N ATOM 462 CZ ARG A 29 3.981 -13.496 14.065 1.00 20.21 C ATOM 463 NH1 ARG A 29 3.171 -13.954 13.120 1.00 35.11 N ATOM 464 NH2 ARG A 29 3.970 -14.060 15.263 1.00 30.04 N ATOM 0 H ARG A 29 3.830 -7.996 11.662 1.00 22.35 H new ATOM 0 HA ARG A 29 2.685 -10.428 12.500 1.00 22.20 H new ATOM 0 HB2 ARG A 29 4.753 -8.561 13.686 1.00 12.00 H new ATOM 0 HB3 ARG A 29 4.289 -10.050 14.485 1.00 12.00 H new ATOM 0 HG2 ARG A 29 5.454 -9.864 11.687 1.00 14.52 H new ATOM 0 HG3 ARG A 29 6.352 -10.286 13.132 1.00 14.52 H new ATOM 0 HD2 ARG A 29 3.988 -11.818 11.971 1.00 31.02 H new ATOM 0 HD3 ARG A 29 5.666 -12.319 11.923 1.00 31.02 H new ATOM 0 HE ARG A 29 5.301 -12.062 14.615 1.00 22.22 H new ATOM 0 HH11 ARG A 29 3.146 -13.501 12.206 1.00 35.11 H new ATOM 0 HH12 ARG A 29 2.573 -14.759 13.307 1.00 35.11 H new ATOM 0 HH21 ARG A 29 4.562 -13.690 16.006 1.00 30.04 H new ATOM 0 HH22 ARG A 29 3.369 -14.865 15.442 1.00 30.04 H new ATOM 478 N ALA A 30 1.784 -7.792 14.171 1.00 15.22 N ATOM 479 CA ALA A 30 0.881 -7.287 15.196 1.00 30.24 C ATOM 480 C ALA A 30 -0.544 -7.760 14.937 1.00 24.55 C ATOM 481 O ALA A 30 -1.248 -8.191 15.859 1.00 52.31 O ATOM 482 CB ALA A 30 0.948 -5.764 15.278 1.00 73.23 C ATOM 0 H ALA A 30 2.250 -7.065 13.627 1.00 15.22 H new ATOM 0 HA ALA A 30 1.200 -7.687 16.159 1.00 30.24 H new ATOM 0 HB1 ALA A 30 0.265 -5.411 16.050 1.00 73.23 H new ATOM 0 HB2 ALA A 30 1.964 -5.457 15.525 1.00 73.23 H new ATOM 0 HB3 ALA A 30 0.663 -5.335 14.317 1.00 73.23 H new ATOM 488 N LEU A 31 -0.962 -7.700 13.688 1.00 2.34 N ATOM 489 CA LEU A 31 -2.286 -8.151 13.326 1.00 52.22 C ATOM 490 C LEU A 31 -2.409 -9.657 13.340 1.00 34.50 C ATOM 491 O LEU A 31 -3.483 -10.176 13.653 1.00 22.23 O ATOM 492 CB LEU A 31 -2.805 -7.566 12.009 1.00 22.22 C ATOM 493 CG LEU A 31 -3.151 -6.065 11.984 1.00 45.22 C ATOM 494 CD1 LEU A 31 -4.101 -5.706 13.100 1.00 2.24 C ATOM 495 CD2 LEU A 31 -1.926 -5.180 11.996 1.00 12.25 C ATOM 0 H LEU A 31 -0.405 -7.344 12.911 1.00 2.34 H new ATOM 0 HA LEU A 31 -2.933 -7.756 14.109 1.00 52.22 H new ATOM 0 HB2 LEU A 31 -2.055 -7.751 11.240 1.00 22.22 H new ATOM 0 HB3 LEU A 31 -3.698 -8.122 11.723 1.00 22.22 H new ATOM 0 HG LEU A 31 -3.655 -5.878 11.036 1.00 45.22 H new ATOM 0 HD11 LEU A 31 -4.327 -4.641 13.057 1.00 2.24 H new ATOM 0 HD12 LEU A 31 -5.023 -6.277 12.991 1.00 2.24 H new ATOM 0 HD13 LEU A 31 -3.640 -5.941 14.060 1.00 2.24 H new ATOM 0 HD21 LEU A 31 -2.233 -4.134 11.977 1.00 12.25 H new ATOM 0 HD22 LEU A 31 -1.347 -5.372 12.899 1.00 12.25 H new ATOM 0 HD23 LEU A 31 -1.314 -5.394 11.120 1.00 12.25 H new ATOM 507 N GLU A 32 -1.324 -10.370 13.018 1.00 52.33 N ATOM 508 CA GLU A 32 -1.365 -11.829 13.052 1.00 35.33 C ATOM 509 C GLU A 32 -1.646 -12.324 14.451 1.00 30.04 C ATOM 510 O GLU A 32 -2.539 -13.141 14.653 1.00 62.12 O ATOM 511 CB GLU A 32 -0.089 -12.488 12.526 1.00 14.15 C ATOM 512 CG GLU A 32 0.204 -12.247 11.063 1.00 4.24 C ATOM 513 CD GLU A 32 1.375 -13.073 10.585 1.00 62.33 C ATOM 514 OE1 GLU A 32 2.525 -12.702 10.848 1.00 35.21 O ATOM 515 OE2 GLU A 32 1.155 -14.120 9.938 1.00 72.23 O ATOM 0 H GLU A 32 -0.429 -9.969 12.738 1.00 52.33 H new ATOM 0 HA GLU A 32 -2.175 -12.117 12.382 1.00 35.33 H new ATOM 0 HB2 GLU A 32 0.756 -12.128 13.113 1.00 14.15 H new ATOM 0 HB3 GLU A 32 -0.159 -13.563 12.694 1.00 14.15 H new ATOM 0 HG2 GLU A 32 -0.678 -12.489 10.470 1.00 4.24 H new ATOM 0 HG3 GLU A 32 0.415 -11.190 10.903 1.00 4.24 H new ATOM 522 N GLU A 33 -0.918 -11.809 15.421 1.00 55.42 N ATOM 523 CA GLU A 33 -1.101 -12.244 16.788 1.00 12.40 C ATOM 524 C GLU A 33 -2.425 -11.747 17.377 1.00 72.43 C ATOM 525 O GLU A 33 -2.975 -12.359 18.286 1.00 33.30 O ATOM 526 CB GLU A 33 0.109 -11.908 17.655 1.00 70.40 C ATOM 527 CG GLU A 33 1.383 -12.555 17.130 1.00 2.43 C ATOM 528 CD GLU A 33 2.572 -12.403 18.038 1.00 23.01 C ATOM 529 OE1 GLU A 33 3.276 -11.390 17.954 1.00 63.21 O ATOM 530 OE2 GLU A 33 2.846 -13.341 18.832 1.00 73.05 O ATOM 0 H GLU A 33 -0.201 -11.096 15.289 1.00 55.42 H new ATOM 0 HA GLU A 33 -1.172 -13.332 16.779 1.00 12.40 H new ATOM 0 HB2 GLU A 33 0.240 -10.827 17.692 1.00 70.40 H new ATOM 0 HB3 GLU A 33 -0.073 -12.242 18.677 1.00 70.40 H new ATOM 0 HG2 GLU A 33 1.197 -13.617 16.968 1.00 2.43 H new ATOM 0 HG3 GLU A 33 1.624 -12.122 16.159 1.00 2.43 H new ATOM 537 N LYS A 34 -2.945 -10.654 16.837 1.00 32.12 N ATOM 538 CA LYS A 34 -4.270 -10.148 17.228 1.00 15.23 C ATOM 539 C LYS A 34 -5.404 -10.913 16.529 1.00 2.43 C ATOM 540 O LYS A 34 -6.571 -10.751 16.877 1.00 20.40 O ATOM 541 CB LYS A 34 -4.404 -8.657 16.919 1.00 41.21 C ATOM 542 CG LYS A 34 -3.817 -7.699 17.940 1.00 15.02 C ATOM 543 CD LYS A 34 -4.632 -7.711 19.233 1.00 74.52 C ATOM 544 CE LYS A 34 -4.169 -6.627 20.191 1.00 31.14 C ATOM 545 NZ LYS A 34 -4.966 -6.581 21.434 1.00 52.15 N ATOM 0 H LYS A 34 -2.476 -10.094 16.125 1.00 32.12 H new ATOM 0 HA LYS A 34 -4.357 -10.304 18.303 1.00 15.23 H new ATOM 0 HB2 LYS A 34 -3.929 -8.464 15.957 1.00 41.21 H new ATOM 0 HB3 LYS A 34 -5.463 -8.426 16.804 1.00 41.21 H new ATOM 0 HG2 LYS A 34 -2.785 -7.977 18.154 1.00 15.02 H new ATOM 0 HG3 LYS A 34 -3.797 -6.690 17.528 1.00 15.02 H new ATOM 0 HD2 LYS A 34 -5.687 -7.567 19.001 1.00 74.52 H new ATOM 0 HD3 LYS A 34 -4.541 -8.686 19.713 1.00 74.52 H new ATOM 0 HE2 LYS A 34 -3.122 -6.794 20.443 1.00 31.14 H new ATOM 0 HE3 LYS A 34 -4.226 -5.659 19.692 1.00 31.14 H new ATOM 0 HZ1 LYS A 34 -4.606 -5.824 22.049 1.00 52.15 H new ATOM 0 HZ2 LYS A 34 -5.962 -6.394 21.201 1.00 52.15 H new ATOM 0 HZ3 LYS A 34 -4.892 -7.493 21.928 1.00 52.15 H new ATOM 559 N GLY A 35 -5.059 -11.740 15.557 1.00 40.43 N ATOM 560 CA GLY A 35 -6.061 -12.523 14.853 1.00 11.42 C ATOM 561 C GLY A 35 -6.846 -11.717 13.820 1.00 42.43 C ATOM 562 O GLY A 35 -8.020 -12.000 13.560 1.00 70.13 O ATOM 0 H GLY A 35 -4.101 -11.886 15.239 1.00 40.43 H new ATOM 0 HA2 GLY A 35 -5.573 -13.360 14.355 1.00 11.42 H new ATOM 0 HA3 GLY A 35 -6.757 -12.945 15.578 1.00 11.42 H new ATOM 566 N TYR A 36 -6.224 -10.718 13.244 1.00 63.44 N ATOM 567 CA TYR A 36 -6.864 -9.919 12.208 1.00 34.41 C ATOM 568 C TYR A 36 -6.174 -10.167 10.892 1.00 40.53 C ATOM 569 O TYR A 36 -5.172 -10.889 10.835 1.00 4.22 O ATOM 570 CB TYR A 36 -6.785 -8.411 12.506 1.00 44.45 C ATOM 571 CG TYR A 36 -7.479 -7.939 13.760 1.00 22.23 C ATOM 572 CD1 TYR A 36 -6.749 -7.464 14.830 1.00 73.51 C ATOM 573 CD2 TYR A 36 -8.859 -7.959 13.868 1.00 52.20 C ATOM 574 CE1 TYR A 36 -7.367 -7.018 15.979 1.00 32.42 C ATOM 575 CE2 TYR A 36 -9.489 -7.518 15.016 1.00 73.11 C ATOM 576 CZ TYR A 36 -8.733 -7.047 16.070 1.00 64.31 C ATOM 577 OH TYR A 36 -9.349 -6.600 17.219 1.00 62.14 O ATOM 0 H TYR A 36 -5.272 -10.432 13.471 1.00 63.44 H new ATOM 0 HA TYR A 36 -7.913 -10.214 12.173 1.00 34.41 H new ATOM 0 HB2 TYR A 36 -5.734 -8.130 12.570 1.00 44.45 H new ATOM 0 HB3 TYR A 36 -7.208 -7.872 11.658 1.00 44.45 H new ATOM 0 HD1 TYR A 36 -5.671 -7.441 14.766 1.00 73.51 H new ATOM 0 HD2 TYR A 36 -9.452 -8.325 13.043 1.00 52.20 H new ATOM 0 HE1 TYR A 36 -6.776 -6.647 16.804 1.00 32.42 H new ATOM 0 HE2 TYR A 36 -10.566 -7.542 15.088 1.00 73.11 H new ATOM 0 HH TYR A 36 -10.321 -6.686 17.124 1.00 62.14 H new ATOM 587 N ASN A 37 -6.697 -9.582 9.846 1.00 54.14 N ATOM 588 CA ASN A 37 -6.057 -9.614 8.557 1.00 55.02 C ATOM 589 C ASN A 37 -5.121 -8.423 8.513 1.00 62.42 C ATOM 590 O ASN A 37 -5.578 -7.273 8.484 1.00 71.21 O ATOM 591 CB ASN A 37 -7.097 -9.518 7.416 1.00 10.34 C ATOM 592 CG ASN A 37 -6.483 -9.602 6.002 1.00 63.10 C ATOM 593 OD1 ASN A 37 -5.333 -9.218 5.767 1.00 53.24 O ATOM 594 ND2 ASN A 37 -7.248 -10.077 5.062 1.00 3.31 N ATOM 0 H ASN A 37 -7.579 -9.070 9.864 1.00 54.14 H new ATOM 0 HA ASN A 37 -5.519 -10.552 8.418 1.00 55.02 H new ATOM 0 HB2 ASN A 37 -7.826 -10.320 7.533 1.00 10.34 H new ATOM 0 HB3 ASN A 37 -7.640 -8.578 7.511 1.00 10.34 H new ATOM 0 HD21 ASN A 37 -6.901 -10.139 4.105 1.00 3.31 H new ATOM 0 HD22 ASN A 37 -8.194 -10.387 5.283 1.00 3.31 H new ATOM 601 N PRO A 38 -3.802 -8.664 8.538 1.00 72.40 N ATOM 602 CA PRO A 38 -2.813 -7.591 8.581 1.00 72.42 C ATOM 603 C PRO A 38 -2.927 -6.643 7.407 1.00 62.20 C ATOM 604 O PRO A 38 -2.827 -5.433 7.569 1.00 51.14 O ATOM 605 CB PRO A 38 -1.472 -8.325 8.542 1.00 62.14 C ATOM 606 CG PRO A 38 -1.776 -9.716 8.981 1.00 3.10 C ATOM 607 CD PRO A 38 -3.170 -9.998 8.526 1.00 3.31 C ATOM 0 HA PRO A 38 -2.945 -6.966 9.464 1.00 72.42 H new ATOM 0 HB2 PRO A 38 -1.045 -8.313 7.539 1.00 62.14 H new ATOM 0 HB3 PRO A 38 -0.745 -7.853 9.203 1.00 62.14 H new ATOM 0 HG2 PRO A 38 -1.073 -10.425 8.544 1.00 3.10 H new ATOM 0 HG3 PRO A 38 -1.693 -9.810 10.064 1.00 3.10 H new ATOM 0 HD2 PRO A 38 -3.187 -10.443 7.531 1.00 3.31 H new ATOM 0 HD3 PRO A 38 -3.680 -10.692 9.195 1.00 3.31 H new ATOM 615 N ILE A 39 -3.190 -7.194 6.244 1.00 21.50 N ATOM 616 CA ILE A 39 -3.250 -6.419 5.026 1.00 40.43 C ATOM 617 C ILE A 39 -4.417 -5.453 5.069 1.00 22.34 C ATOM 618 O ILE A 39 -4.248 -4.265 4.800 1.00 72.14 O ATOM 619 CB ILE A 39 -3.367 -7.346 3.792 1.00 52.33 C ATOM 620 CG1 ILE A 39 -2.182 -8.326 3.760 1.00 1.34 C ATOM 621 CG2 ILE A 39 -3.447 -6.542 2.493 1.00 3.23 C ATOM 622 CD1 ILE A 39 -0.820 -7.660 3.689 1.00 54.14 C ATOM 0 H ILE A 39 -3.368 -8.190 6.116 1.00 21.50 H new ATOM 0 HA ILE A 39 -2.326 -5.847 4.941 1.00 40.43 H new ATOM 0 HB ILE A 39 -4.293 -7.915 3.877 1.00 52.33 H new ATOM 0 HG12 ILE A 39 -2.220 -8.953 4.651 1.00 1.34 H new ATOM 0 HG13 ILE A 39 -2.295 -8.986 2.900 1.00 1.34 H new ATOM 0 HG21 ILE A 39 -3.528 -7.225 1.647 1.00 3.23 H new ATOM 0 HG22 ILE A 39 -4.322 -5.892 2.520 1.00 3.23 H new ATOM 0 HG23 ILE A 39 -2.548 -5.935 2.385 1.00 3.23 H new ATOM 0 HD11 ILE A 39 -0.042 -8.423 3.670 1.00 54.14 H new ATOM 0 HD12 ILE A 39 -0.757 -7.056 2.784 1.00 54.14 H new ATOM 0 HD13 ILE A 39 -0.681 -7.022 4.562 1.00 54.14 H new ATOM 634 N ASN A 40 -5.581 -5.970 5.456 1.00 33.42 N ATOM 635 CA ASN A 40 -6.802 -5.220 5.567 1.00 34.43 C ATOM 636 C ASN A 40 -6.620 -4.002 6.472 1.00 70.50 C ATOM 637 O ASN A 40 -7.064 -2.897 6.156 1.00 20.53 O ATOM 638 CB ASN A 40 -7.850 -6.137 6.162 1.00 14.34 C ATOM 639 CG ASN A 40 -9.221 -5.581 6.064 1.00 42.31 C ATOM 640 OD1 ASN A 40 -9.715 -4.883 6.957 1.00 64.03 O ATOM 641 ND2 ASN A 40 -9.850 -5.887 4.985 1.00 13.02 N ATOM 0 H ASN A 40 -5.690 -6.953 5.706 1.00 33.42 H new ATOM 0 HA ASN A 40 -7.102 -4.862 4.582 1.00 34.43 H new ATOM 0 HB2 ASN A 40 -7.816 -7.100 5.652 1.00 14.34 H new ATOM 0 HB3 ASN A 40 -7.612 -6.322 7.209 1.00 14.34 H new ATOM 0 HD21 ASN A 40 -10.801 -5.550 4.836 1.00 13.02 H new ATOM 0 HD22 ASN A 40 -9.398 -6.466 4.278 1.00 13.02 H new ATOM 648 N GLN A 41 -5.942 -4.210 7.576 1.00 64.23 N ATOM 649 CA GLN A 41 -5.726 -3.155 8.539 1.00 43.12 C ATOM 650 C GLN A 41 -4.706 -2.135 8.033 1.00 50.24 C ATOM 651 O GLN A 41 -4.881 -0.926 8.226 1.00 21.04 O ATOM 652 CB GLN A 41 -5.294 -3.741 9.878 1.00 52.21 C ATOM 653 CG GLN A 41 -6.284 -4.761 10.442 1.00 61.41 C ATOM 654 CD GLN A 41 -7.683 -4.206 10.665 1.00 33.42 C ATOM 655 OE1 GLN A 41 -8.667 -4.928 10.558 1.00 41.23 O ATOM 656 NE2 GLN A 41 -7.780 -2.943 11.006 1.00 23.51 N ATOM 0 H GLN A 41 -5.528 -5.107 7.831 1.00 64.23 H new ATOM 0 HA GLN A 41 -6.670 -2.628 8.679 1.00 43.12 H new ATOM 0 HB2 GLN A 41 -4.320 -4.217 9.761 1.00 52.21 H new ATOM 0 HB3 GLN A 41 -5.169 -2.931 10.597 1.00 52.21 H new ATOM 0 HG2 GLN A 41 -6.345 -5.609 9.760 1.00 61.41 H new ATOM 0 HG3 GLN A 41 -5.899 -5.141 11.389 1.00 61.41 H new ATOM 0 HE21 GLN A 41 -6.940 -2.370 11.086 1.00 23.51 H new ATOM 0 HE22 GLN A 41 -8.696 -2.534 11.191 1.00 23.51 H new ATOM 665 N ILE A 42 -3.654 -2.618 7.377 1.00 33.55 N ATOM 666 CA ILE A 42 -2.625 -1.732 6.831 1.00 32.42 C ATOM 667 C ILE A 42 -3.198 -0.841 5.724 1.00 50.12 C ATOM 668 O ILE A 42 -3.037 0.386 5.764 1.00 0.20 O ATOM 669 CB ILE A 42 -1.372 -2.507 6.318 1.00 35.11 C ATOM 670 CG1 ILE A 42 -0.697 -3.255 7.481 1.00 62.31 C ATOM 671 CG2 ILE A 42 -0.380 -1.549 5.657 1.00 4.21 C ATOM 672 CD1 ILE A 42 0.509 -4.088 7.074 1.00 72.24 C ATOM 0 H ILE A 42 -3.490 -3.611 7.210 1.00 33.55 H new ATOM 0 HA ILE A 42 -2.292 -1.100 7.654 1.00 32.42 H new ATOM 0 HB ILE A 42 -1.696 -3.234 5.573 1.00 35.11 H new ATOM 0 HG12 ILE A 42 -0.386 -2.529 8.232 1.00 62.31 H new ATOM 0 HG13 ILE A 42 -1.432 -3.907 7.953 1.00 62.31 H new ATOM 0 HG21 ILE A 42 0.487 -2.108 5.306 1.00 4.21 H new ATOM 0 HG22 ILE A 42 -0.859 -1.055 4.812 1.00 4.21 H new ATOM 0 HG23 ILE A 42 -0.060 -0.800 6.381 1.00 4.21 H new ATOM 0 HD11 ILE A 42 0.924 -4.581 7.953 1.00 72.24 H new ATOM 0 HD12 ILE A 42 0.203 -4.840 6.347 1.00 72.24 H new ATOM 0 HD13 ILE A 42 1.265 -3.441 6.630 1.00 72.24 H new ATOM 684 N VAL A 43 -3.899 -1.448 4.757 1.00 43.15 N ATOM 685 CA VAL A 43 -4.504 -0.682 3.665 1.00 24.51 C ATOM 686 C VAL A 43 -5.543 0.313 4.213 1.00 50.41 C ATOM 687 O VAL A 43 -5.631 1.460 3.747 1.00 34.52 O ATOM 688 CB VAL A 43 -5.110 -1.595 2.515 1.00 41.32 C ATOM 689 CG1 VAL A 43 -6.130 -2.581 3.052 1.00 44.34 C ATOM 690 CG2 VAL A 43 -5.765 -0.745 1.441 1.00 14.32 C ATOM 0 H VAL A 43 -4.059 -2.454 4.710 1.00 43.15 H new ATOM 0 HA VAL A 43 -3.700 -0.118 3.193 1.00 24.51 H new ATOM 0 HB VAL A 43 -4.277 -2.154 2.088 1.00 41.32 H new ATOM 0 HG11 VAL A 43 -6.519 -3.185 2.232 1.00 44.34 H new ATOM 0 HG12 VAL A 43 -5.656 -3.230 3.788 1.00 44.34 H new ATOM 0 HG13 VAL A 43 -6.949 -2.037 3.522 1.00 44.34 H new ATOM 0 HG21 VAL A 43 -6.173 -1.391 0.664 1.00 14.32 H new ATOM 0 HG22 VAL A 43 -6.569 -0.157 1.883 1.00 14.32 H new ATOM 0 HG23 VAL A 43 -5.024 -0.076 1.004 1.00 14.32 H new ATOM 700 N GLY A 44 -6.269 -0.114 5.244 1.00 61.42 N ATOM 701 CA GLY A 44 -7.245 0.738 5.884 1.00 10.01 C ATOM 702 C GLY A 44 -6.591 1.947 6.513 1.00 2.31 C ATOM 703 O GLY A 44 -7.088 3.073 6.386 1.00 64.14 O ATOM 0 H GLY A 44 -6.193 -1.048 5.648 1.00 61.42 H new ATOM 0 HA2 GLY A 44 -7.984 1.062 5.151 1.00 10.01 H new ATOM 0 HA3 GLY A 44 -7.779 0.173 6.647 1.00 10.01 H new ATOM 707 N TYR A 45 -5.468 1.724 7.189 1.00 55.41 N ATOM 708 CA TYR A 45 -4.724 2.813 7.782 1.00 35.22 C ATOM 709 C TYR A 45 -4.204 3.747 6.718 1.00 52.23 C ATOM 710 O TYR A 45 -4.443 4.939 6.769 1.00 71.50 O ATOM 711 CB TYR A 45 -3.541 2.317 8.642 1.00 30.41 C ATOM 712 CG TYR A 45 -2.663 3.464 9.138 1.00 2.45 C ATOM 713 CD1 TYR A 45 -1.569 3.895 8.390 1.00 43.51 C ATOM 714 CD2 TYR A 45 -2.942 4.130 10.314 1.00 60.31 C ATOM 715 CE1 TYR A 45 -0.789 4.941 8.805 1.00 2.31 C ATOM 716 CE2 TYR A 45 -2.166 5.191 10.733 1.00 33.02 C ATOM 717 CZ TYR A 45 -1.091 5.591 9.975 1.00 33.13 C ATOM 718 OH TYR A 45 -0.328 6.651 10.380 1.00 74.31 O ATOM 0 H TYR A 45 -5.060 0.801 7.336 1.00 55.41 H new ATOM 0 HA TYR A 45 -5.419 3.343 8.433 1.00 35.22 H new ATOM 0 HB2 TYR A 45 -3.925 1.760 9.497 1.00 30.41 H new ATOM 0 HB3 TYR A 45 -2.935 1.625 8.057 1.00 30.41 H new ATOM 0 HD1 TYR A 45 -1.331 3.393 7.464 1.00 43.51 H new ATOM 0 HD2 TYR A 45 -3.782 3.816 10.916 1.00 60.31 H new ATOM 0 HE1 TYR A 45 0.060 5.253 8.214 1.00 2.31 H new ATOM 0 HE2 TYR A 45 -2.402 5.705 11.653 1.00 33.02 H new ATOM 0 HH TYR A 45 0.621 6.417 10.309 1.00 74.31 H new ATOM 728 N LEU A 46 -3.500 3.191 5.763 1.00 75.41 N ATOM 729 CA LEU A 46 -2.821 3.955 4.730 1.00 44.20 C ATOM 730 C LEU A 46 -3.742 4.895 3.960 1.00 3.22 C ATOM 731 O LEU A 46 -3.339 5.999 3.591 1.00 52.11 O ATOM 732 CB LEU A 46 -2.045 3.029 3.808 1.00 63.03 C ATOM 733 CG LEU A 46 -0.895 2.257 4.474 1.00 40.24 C ATOM 734 CD1 LEU A 46 -0.310 1.248 3.520 1.00 33.43 C ATOM 735 CD2 LEU A 46 0.192 3.211 4.950 1.00 64.03 C ATOM 0 H LEU A 46 -3.377 2.182 5.675 1.00 75.41 H new ATOM 0 HA LEU A 46 -2.112 4.610 5.237 1.00 44.20 H new ATOM 0 HB2 LEU A 46 -2.739 2.311 3.372 1.00 63.03 H new ATOM 0 HB3 LEU A 46 -1.638 3.618 2.986 1.00 63.03 H new ATOM 0 HG LEU A 46 -1.301 1.731 5.338 1.00 40.24 H new ATOM 0 HD11 LEU A 46 0.503 0.712 4.010 1.00 33.43 H new ATOM 0 HD12 LEU A 46 -1.083 0.540 3.220 1.00 33.43 H new ATOM 0 HD13 LEU A 46 0.074 1.761 2.638 1.00 33.43 H new ATOM 0 HD21 LEU A 46 0.996 2.642 5.418 1.00 64.03 H new ATOM 0 HD22 LEU A 46 0.588 3.765 4.099 1.00 64.03 H new ATOM 0 HD23 LEU A 46 -0.228 3.909 5.674 1.00 64.03 H new ATOM 747 N LEU A 47 -4.967 4.484 3.746 1.00 41.13 N ATOM 748 CA LEU A 47 -5.911 5.307 3.014 1.00 53.43 C ATOM 749 C LEU A 47 -6.490 6.459 3.859 1.00 32.43 C ATOM 750 O LEU A 47 -7.007 7.417 3.306 1.00 70.34 O ATOM 751 CB LEU A 47 -7.044 4.456 2.423 1.00 4.44 C ATOM 752 CG LEU A 47 -6.632 3.381 1.403 1.00 35.11 C ATOM 753 CD1 LEU A 47 -7.848 2.608 0.926 1.00 55.33 C ATOM 754 CD2 LEU A 47 -5.899 4.005 0.218 1.00 32.30 C ATOM 0 H LEU A 47 -5.338 3.589 4.065 1.00 41.13 H new ATOM 0 HA LEU A 47 -5.347 5.763 2.200 1.00 53.43 H new ATOM 0 HB2 LEU A 47 -7.567 3.965 3.244 1.00 4.44 H new ATOM 0 HB3 LEU A 47 -7.759 5.125 1.944 1.00 4.44 H new ATOM 0 HG LEU A 47 -5.951 2.689 1.897 1.00 35.11 H new ATOM 0 HD11 LEU A 47 -7.538 1.852 0.205 1.00 55.33 H new ATOM 0 HD12 LEU A 47 -8.328 2.124 1.776 1.00 55.33 H new ATOM 0 HD13 LEU A 47 -8.552 3.293 0.454 1.00 55.33 H new ATOM 0 HD21 LEU A 47 -5.619 3.224 -0.489 1.00 32.30 H new ATOM 0 HD22 LEU A 47 -6.552 4.724 -0.276 1.00 32.30 H new ATOM 0 HD23 LEU A 47 -5.002 4.513 0.572 1.00 32.30 H new ATOM 766 N SER A 48 -6.378 6.398 5.185 1.00 20.54 N ATOM 767 CA SER A 48 -7.011 7.433 6.003 1.00 31.00 C ATOM 768 C SER A 48 -6.046 8.102 7.010 1.00 12.13 C ATOM 769 O SER A 48 -6.315 9.212 7.474 1.00 3.22 O ATOM 770 CB SER A 48 -8.244 6.847 6.726 1.00 31.22 C ATOM 771 OG SER A 48 -8.998 7.846 7.429 1.00 21.22 O ATOM 0 H SER A 48 -5.876 5.675 5.700 1.00 20.54 H new ATOM 0 HA SER A 48 -7.324 8.226 5.324 1.00 31.00 H new ATOM 0 HB2 SER A 48 -8.889 6.356 5.997 1.00 31.22 H new ATOM 0 HB3 SER A 48 -7.918 6.081 7.430 1.00 31.22 H new ATOM 0 HG SER A 48 -8.438 8.638 7.572 1.00 21.22 H new ATOM 777 N GLY A 49 -4.928 7.458 7.310 1.00 62.03 N ATOM 778 CA GLY A 49 -4.023 7.964 8.332 1.00 42.24 C ATOM 779 C GLY A 49 -4.633 8.022 9.708 1.00 15.44 C ATOM 780 O GLY A 49 -4.424 8.986 10.448 1.00 24.44 O ATOM 0 H GLY A 49 -4.627 6.591 6.865 1.00 62.03 H new ATOM 0 HA2 GLY A 49 -3.136 7.332 8.364 1.00 42.24 H new ATOM 0 HA3 GLY A 49 -3.692 8.963 8.049 1.00 42.24 H new ATOM 784 N ASP A 50 -5.370 7.000 10.065 1.00 22.45 N ATOM 785 CA ASP A 50 -5.980 6.957 11.373 1.00 11.42 C ATOM 786 C ASP A 50 -5.419 5.786 12.165 1.00 50.11 C ATOM 787 O ASP A 50 -5.514 4.640 11.734 1.00 53.43 O ATOM 788 CB ASP A 50 -7.491 6.871 11.284 1.00 5.43 C ATOM 789 CG ASP A 50 -8.117 6.945 12.646 1.00 12.13 C ATOM 790 OD1 ASP A 50 -8.296 8.058 13.156 1.00 34.31 O ATOM 791 OD2 ASP A 50 -8.411 5.888 13.240 1.00 51.40 O ATOM 0 H ASP A 50 -5.562 6.191 9.474 1.00 22.45 H new ATOM 0 HA ASP A 50 -5.741 7.886 11.890 1.00 11.42 H new ATOM 0 HB2 ASP A 50 -7.869 7.683 10.662 1.00 5.43 H new ATOM 0 HB3 ASP A 50 -7.777 5.938 10.799 1.00 5.43 H new ATOM 796 N PRO A 51 -4.836 6.059 13.341 1.00 60.43 N ATOM 797 CA PRO A 51 -4.140 5.055 14.157 1.00 70.23 C ATOM 798 C PRO A 51 -5.010 3.885 14.636 1.00 33.22 C ATOM 799 O PRO A 51 -4.485 2.812 14.898 1.00 42.24 O ATOM 800 CB PRO A 51 -3.588 5.854 15.337 1.00 10.24 C ATOM 801 CG PRO A 51 -4.459 7.057 15.414 1.00 53.52 C ATOM 802 CD PRO A 51 -4.823 7.384 13.994 1.00 12.23 C ATOM 0 HA PRO A 51 -3.375 4.556 13.562 1.00 70.23 H new ATOM 0 HB2 PRO A 51 -3.627 5.276 16.260 1.00 10.24 H new ATOM 0 HB3 PRO A 51 -2.545 6.129 15.177 1.00 10.24 H new ATOM 0 HG2 PRO A 51 -5.349 6.859 16.011 1.00 53.52 H new ATOM 0 HG3 PRO A 51 -3.937 7.889 15.886 1.00 53.52 H new ATOM 0 HD2 PRO A 51 -5.794 7.876 13.929 1.00 12.23 H new ATOM 0 HD3 PRO A 51 -4.096 8.053 13.535 1.00 12.23 H new ATOM 810 N ALA A 52 -6.328 4.084 14.731 1.00 64.32 N ATOM 811 CA ALA A 52 -7.229 3.034 15.237 1.00 73.42 C ATOM 812 C ALA A 52 -7.280 1.816 14.311 1.00 62.53 C ATOM 813 O ALA A 52 -7.795 0.763 14.692 1.00 13.50 O ATOM 814 CB ALA A 52 -8.624 3.574 15.498 1.00 64.54 C ATOM 0 H ALA A 52 -6.795 4.952 14.468 1.00 64.32 H new ATOM 0 HA ALA A 52 -6.812 2.700 16.187 1.00 73.42 H new ATOM 0 HB1 ALA A 52 -9.261 2.772 15.870 1.00 64.54 H new ATOM 0 HB2 ALA A 52 -8.573 4.371 16.240 1.00 64.54 H new ATOM 0 HB3 ALA A 52 -9.041 3.968 14.571 1.00 64.54 H new ATOM 820 N TYR A 53 -6.759 1.962 13.100 1.00 55.12 N ATOM 821 CA TYR A 53 -6.665 0.851 12.182 1.00 22.42 C ATOM 822 C TYR A 53 -5.652 -0.185 12.644 1.00 13.51 C ATOM 823 O TYR A 53 -5.786 -1.378 12.341 1.00 53.51 O ATOM 824 CB TYR A 53 -6.370 1.317 10.768 1.00 13.14 C ATOM 825 CG TYR A 53 -7.563 1.945 10.130 1.00 12.41 C ATOM 826 CD1 TYR A 53 -8.567 1.146 9.635 1.00 42.32 C ATOM 827 CD2 TYR A 53 -7.706 3.318 10.030 1.00 33.32 C ATOM 828 CE1 TYR A 53 -9.680 1.678 9.061 1.00 75.42 C ATOM 829 CE2 TYR A 53 -8.825 3.872 9.447 1.00 42.41 C ATOM 830 CZ TYR A 53 -9.812 3.048 8.963 1.00 3.34 C ATOM 831 OH TYR A 53 -10.944 3.590 8.391 1.00 22.32 O ATOM 0 H TYR A 53 -6.396 2.843 12.736 1.00 55.12 H new ATOM 0 HA TYR A 53 -7.641 0.366 12.172 1.00 22.42 H new ATOM 0 HB2 TYR A 53 -5.548 2.033 10.786 1.00 13.14 H new ATOM 0 HB3 TYR A 53 -6.041 0.469 10.167 1.00 13.14 H new ATOM 0 HD1 TYR A 53 -8.470 0.073 9.703 1.00 42.32 H new ATOM 0 HD2 TYR A 53 -6.930 3.964 10.414 1.00 33.32 H new ATOM 0 HE1 TYR A 53 -10.457 1.030 8.683 1.00 75.42 H new ATOM 0 HE2 TYR A 53 -8.925 4.945 9.371 1.00 42.41 H new ATOM 0 HH TYR A 53 -10.879 4.568 8.401 1.00 22.32 H new ATOM 841 N ILE A 54 -4.647 0.258 13.382 1.00 63.43 N ATOM 842 CA ILE A 54 -3.657 -0.646 13.920 1.00 64.21 C ATOM 843 C ILE A 54 -3.832 -0.695 15.437 1.00 20.13 C ATOM 844 O ILE A 54 -3.596 0.299 16.119 1.00 63.12 O ATOM 845 CB ILE A 54 -2.192 -0.210 13.579 1.00 31.53 C ATOM 846 CG1 ILE A 54 -2.025 0.017 12.058 1.00 53.01 C ATOM 847 CG2 ILE A 54 -1.187 -1.254 14.076 1.00 42.35 C ATOM 848 CD1 ILE A 54 -2.369 -1.189 11.194 1.00 11.41 C ATOM 0 H ILE A 54 -4.500 1.239 13.619 1.00 63.43 H new ATOM 0 HA ILE A 54 -3.809 -1.626 13.468 1.00 64.21 H new ATOM 0 HB ILE A 54 -1.993 0.732 14.090 1.00 31.53 H new ATOM 0 HG12 ILE A 54 -2.656 0.854 11.758 1.00 53.01 H new ATOM 0 HG13 ILE A 54 -0.994 0.308 11.859 1.00 53.01 H new ATOM 0 HG21 ILE A 54 -0.175 -0.932 13.829 1.00 42.35 H new ATOM 0 HG22 ILE A 54 -1.280 -1.363 15.157 1.00 42.35 H new ATOM 0 HG23 ILE A 54 -1.390 -2.212 13.596 1.00 42.35 H new ATOM 0 HD11 ILE A 54 -2.223 -0.938 10.144 1.00 11.41 H new ATOM 0 HD12 ILE A 54 -1.722 -2.024 11.461 1.00 11.41 H new ATOM 0 HD13 ILE A 54 -3.409 -1.469 11.358 1.00 11.41 H new ATOM 860 N PRO A 55 -4.279 -1.832 15.981 1.00 23.20 N ATOM 861 CA PRO A 55 -4.509 -1.973 17.413 1.00 13.21 C ATOM 862 C PRO A 55 -3.205 -1.908 18.207 1.00 74.21 C ATOM 863 O PRO A 55 -2.141 -2.355 17.734 1.00 1.12 O ATOM 864 CB PRO A 55 -5.158 -3.355 17.548 1.00 5.33 C ATOM 865 CG PRO A 55 -4.732 -4.093 16.335 1.00 24.52 C ATOM 866 CD PRO A 55 -4.580 -3.065 15.250 1.00 32.23 C ATOM 0 HA PRO A 55 -5.129 -1.169 17.809 1.00 13.21 H new ATOM 0 HB2 PRO A 55 -4.827 -3.861 18.455 1.00 5.33 H new ATOM 0 HB3 PRO A 55 -6.244 -3.278 17.604 1.00 5.33 H new ATOM 0 HG2 PRO A 55 -3.792 -4.618 16.509 1.00 24.52 H new ATOM 0 HG3 PRO A 55 -5.470 -4.845 16.058 1.00 24.52 H new ATOM 0 HD2 PRO A 55 -3.779 -3.327 14.559 1.00 32.23 H new ATOM 0 HD3 PRO A 55 -5.491 -2.968 14.659 1.00 32.23 H new ATOM 874 N ARG A 56 -3.282 -1.365 19.399 1.00 51.24 N ATOM 875 CA ARG A 56 -2.117 -1.205 20.238 1.00 31.43 C ATOM 876 C ARG A 56 -1.674 -2.515 20.882 1.00 2.23 C ATOM 877 O ARG A 56 -1.984 -2.816 22.032 1.00 62.13 O ATOM 878 CB ARG A 56 -2.282 -0.056 21.257 1.00 2.34 C ATOM 879 CG ARG A 56 -3.510 -0.154 22.149 1.00 5.44 C ATOM 880 CD ARG A 56 -3.629 1.049 23.077 1.00 2.22 C ATOM 881 NE ARG A 56 -2.523 1.148 24.043 1.00 62.22 N ATOM 882 CZ ARG A 56 -2.375 2.140 24.941 1.00 24.52 C ATOM 883 NH1 ARG A 56 -3.215 3.174 24.946 1.00 72.22 N ATOM 884 NH2 ARG A 56 -1.381 2.099 25.818 1.00 64.03 N ATOM 0 H ARG A 56 -4.149 -1.023 19.813 1.00 51.24 H new ATOM 0 HA ARG A 56 -1.300 -0.909 19.580 1.00 31.43 H new ATOM 0 HB2 ARG A 56 -1.395 -0.022 21.889 1.00 2.34 H new ATOM 0 HB3 ARG A 56 -2.322 0.888 20.713 1.00 2.34 H new ATOM 0 HG2 ARG A 56 -4.404 -0.226 21.530 1.00 5.44 H new ATOM 0 HG3 ARG A 56 -3.458 -1.067 22.742 1.00 5.44 H new ATOM 0 HD2 ARG A 56 -3.663 1.959 22.479 1.00 2.22 H new ATOM 0 HD3 ARG A 56 -4.572 0.989 23.620 1.00 2.22 H new ATOM 0 HE ARG A 56 -1.817 0.412 24.031 1.00 62.22 H new ATOM 0 HH11 ARG A 56 -3.975 3.217 24.267 1.00 72.22 H new ATOM 0 HH12 ARG A 56 -3.098 3.923 25.629 1.00 72.22 H new ATOM 0 HH21 ARG A 56 -0.728 1.315 25.812 1.00 64.03 H new ATOM 0 HH22 ARG A 56 -1.270 2.851 26.498 1.00 64.03 H new ATOM 898 N TYR A 57 -1.020 -3.322 20.085 1.00 1.40 N ATOM 899 CA TYR A 57 -0.466 -4.577 20.534 1.00 3.21 C ATOM 900 C TYR A 57 1.013 -4.392 20.777 1.00 34.23 C ATOM 901 O TYR A 57 1.567 -4.883 21.755 1.00 43.20 O ATOM 902 CB TYR A 57 -0.716 -5.670 19.480 1.00 33.31 C ATOM 903 CG TYR A 57 -0.231 -7.056 19.877 1.00 41.22 C ATOM 904 CD1 TYR A 57 -0.792 -7.722 20.956 1.00 3.15 C ATOM 905 CD2 TYR A 57 0.786 -7.690 19.176 1.00 62.23 C ATOM 906 CE1 TYR A 57 -0.362 -8.973 21.322 1.00 21.31 C ATOM 907 CE2 TYR A 57 1.224 -8.949 19.540 1.00 4.41 C ATOM 908 CZ TYR A 57 0.643 -9.584 20.617 1.00 1.21 C ATOM 909 OH TYR A 57 1.066 -10.836 20.987 1.00 62.20 O ATOM 0 H TYR A 57 -0.855 -3.126 19.098 1.00 1.40 H new ATOM 0 HA TYR A 57 -0.947 -4.890 21.461 1.00 3.21 H new ATOM 0 HB2 TYR A 57 -1.785 -5.719 19.273 1.00 33.31 H new ATOM 0 HB3 TYR A 57 -0.225 -5.380 18.551 1.00 33.31 H new ATOM 0 HD1 TYR A 57 -1.582 -7.248 21.519 1.00 3.15 H new ATOM 0 HD2 TYR A 57 1.242 -7.192 18.333 1.00 62.23 H new ATOM 0 HE1 TYR A 57 -0.815 -9.475 22.164 1.00 21.31 H new ATOM 0 HE2 TYR A 57 2.015 -9.432 18.985 1.00 4.41 H new ATOM 0 HH TYR A 57 1.783 -11.130 20.387 1.00 62.20 H new ATOM 919 N GLN A 58 1.641 -3.659 19.884 1.00 4.22 N ATOM 920 CA GLN A 58 3.046 -3.348 19.967 1.00 23.54 C ATOM 921 C GLN A 58 3.220 -1.904 19.548 1.00 74.21 C ATOM 922 O GLN A 58 2.256 -1.278 19.075 1.00 54.14 O ATOM 923 CB GLN A 58 3.889 -4.273 19.058 1.00 2.23 C ATOM 924 CG GLN A 58 3.778 -5.762 19.380 1.00 13.23 C ATOM 925 CD GLN A 58 4.647 -6.659 18.495 1.00 43.14 C ATOM 926 OE1 GLN A 58 4.910 -6.248 17.275 1.00 23.54 O flip ATOM 927 NE2 GLN A 58 5.083 -7.718 18.925 1.00 5.30 N flip ATOM 0 H GLN A 58 1.180 -3.257 19.068 1.00 4.22 H new ATOM 0 HA GLN A 58 3.395 -3.503 20.988 1.00 23.54 H new ATOM 0 HB2 GLN A 58 3.586 -4.116 18.023 1.00 2.23 H new ATOM 0 HB3 GLN A 58 4.935 -3.977 19.132 1.00 2.23 H new ATOM 0 HG2 GLN A 58 4.056 -5.919 20.422 1.00 13.23 H new ATOM 0 HG3 GLN A 58 2.737 -6.068 19.278 1.00 13.23 H new ATOM 0 HE21 GLN A 58 4.862 -8.012 19.877 1.00 5.30 H new ATOM 0 HE22 GLN A 58 5.667 -8.307 18.332 1.00 5.30 H new ATOM 936 N ASP A 59 4.435 -1.389 19.668 1.00 62.14 N ATOM 937 CA ASP A 59 4.741 0.019 19.340 1.00 13.01 C ATOM 938 C ASP A 59 4.589 0.317 17.860 1.00 60.31 C ATOM 939 O ASP A 59 4.687 1.462 17.444 1.00 55.51 O ATOM 940 CB ASP A 59 6.092 0.503 19.886 1.00 34.15 C ATOM 941 CG ASP A 59 7.290 -0.125 19.252 1.00 1.41 C ATOM 942 OD1 ASP A 59 8.123 0.603 18.669 1.00 55.11 O ATOM 943 OD2 ASP A 59 7.434 -1.355 19.336 1.00 72.14 O ATOM 0 H ASP A 59 5.241 -1.922 19.993 1.00 62.14 H new ATOM 0 HA ASP A 59 3.985 0.602 19.866 1.00 13.01 H new ATOM 0 HB2 ASP A 59 6.154 1.583 19.754 1.00 34.15 H new ATOM 0 HB3 ASP A 59 6.124 0.310 20.958 1.00 34.15 H new ATOM 948 N ALA A 60 4.411 -0.735 17.061 1.00 14.13 N ATOM 949 CA ALA A 60 4.146 -0.632 15.620 1.00 50.31 C ATOM 950 C ALA A 60 3.014 0.371 15.318 1.00 13.01 C ATOM 951 O ALA A 60 3.014 1.024 14.274 1.00 30.54 O ATOM 952 CB ALA A 60 3.795 -2.000 15.062 1.00 12.15 C ATOM 0 H ALA A 60 4.447 -1.697 17.398 1.00 14.13 H new ATOM 0 HA ALA A 60 5.051 -0.262 15.138 1.00 50.31 H new ATOM 0 HB1 ALA A 60 3.599 -1.918 13.993 1.00 12.15 H new ATOM 0 HB2 ALA A 60 4.627 -2.685 15.227 1.00 12.15 H new ATOM 0 HB3 ALA A 60 2.906 -2.381 15.565 1.00 12.15 H new ATOM 958 N ARG A 61 2.079 0.484 16.250 1.00 22.42 N ATOM 959 CA ARG A 61 0.976 1.430 16.197 1.00 30.14 C ATOM 960 C ARG A 61 1.547 2.874 16.121 1.00 32.14 C ATOM 961 O ARG A 61 1.061 3.707 15.354 1.00 55.32 O ATOM 962 CB ARG A 61 0.115 1.172 17.467 1.00 71.33 C ATOM 963 CG ARG A 61 -1.216 1.917 17.643 1.00 65.30 C ATOM 964 CD ARG A 61 -1.093 3.399 17.982 1.00 4.11 C ATOM 965 NE ARG A 61 -2.418 3.935 18.337 1.00 75.03 N ATOM 966 CZ ARG A 61 -2.677 5.132 18.885 1.00 23.02 C ATOM 967 NH1 ARG A 61 -1.713 6.034 19.040 1.00 3.31 N ATOM 968 NH2 ARG A 61 -3.920 5.425 19.265 1.00 24.04 N ATOM 0 H ARG A 61 2.067 -0.097 17.088 1.00 22.42 H new ATOM 0 HA ARG A 61 0.348 1.307 15.315 1.00 30.14 H new ATOM 0 HB2 ARG A 61 -0.101 0.104 17.503 1.00 71.33 H new ATOM 0 HB3 ARG A 61 0.735 1.402 18.334 1.00 71.33 H new ATOM 0 HG2 ARG A 61 -1.793 1.818 16.724 1.00 65.30 H new ATOM 0 HG3 ARG A 61 -1.786 1.427 18.432 1.00 65.30 H new ATOM 0 HD2 ARG A 61 -0.399 3.537 18.812 1.00 4.11 H new ATOM 0 HD3 ARG A 61 -0.685 3.945 17.131 1.00 4.11 H new ATOM 0 HE ARG A 61 -3.221 3.335 18.147 1.00 75.03 H new ATOM 0 HH11 ARG A 61 -0.762 5.820 18.741 1.00 3.31 H new ATOM 0 HH12 ARG A 61 -1.925 6.940 19.458 1.00 3.31 H new ATOM 0 HH21 ARG A 61 -4.666 4.741 19.139 1.00 24.04 H new ATOM 0 HH22 ARG A 61 -4.125 6.333 19.682 1.00 24.04 H new ATOM 982 N ASN A 62 2.579 3.145 16.911 1.00 1.50 N ATOM 983 CA ASN A 62 3.280 4.437 16.882 1.00 31.33 C ATOM 984 C ASN A 62 4.196 4.509 15.663 1.00 44.14 C ATOM 985 O ASN A 62 4.322 5.555 15.032 1.00 31.23 O ATOM 986 CB ASN A 62 4.122 4.655 18.148 1.00 24.10 C ATOM 987 CG ASN A 62 4.769 6.037 18.200 1.00 52.15 C ATOM 988 OD1 ASN A 62 4.217 7.017 17.707 1.00 3.15 O ATOM 989 ND2 ASN A 62 5.940 6.117 18.778 1.00 63.03 N ATOM 0 H ASN A 62 2.957 2.483 17.589 1.00 1.50 H new ATOM 0 HA ASN A 62 2.520 5.217 16.831 1.00 31.33 H new ATOM 0 HB2 ASN A 62 3.490 4.522 19.026 1.00 24.10 H new ATOM 0 HB3 ASN A 62 4.900 3.893 18.197 1.00 24.10 H new ATOM 0 HD21 ASN A 62 6.423 7.014 18.829 1.00 63.03 H new ATOM 0 HD22 ASN A 62 6.370 5.283 19.177 1.00 63.03 H new ATOM 996 N LEU A 63 4.844 3.383 15.344 1.00 31.44 N ATOM 997 CA LEU A 63 5.772 3.295 14.203 1.00 41.10 C ATOM 998 C LEU A 63 5.104 3.744 12.911 1.00 52.12 C ATOM 999 O LEU A 63 5.649 4.568 12.161 1.00 32.01 O ATOM 1000 CB LEU A 63 6.311 1.855 14.013 1.00 44.15 C ATOM 1001 CG LEU A 63 7.177 1.259 15.133 1.00 35.13 C ATOM 1002 CD1 LEU A 63 7.620 -0.155 14.764 1.00 74.13 C ATOM 1003 CD2 LEU A 63 8.391 2.115 15.334 1.00 2.43 C ATOM 0 H LEU A 63 4.743 2.511 15.863 1.00 31.44 H new ATOM 0 HA LEU A 63 6.605 3.960 14.431 1.00 41.10 H new ATOM 0 HB2 LEU A 63 5.457 1.195 13.864 1.00 44.15 H new ATOM 0 HB3 LEU A 63 6.894 1.835 13.092 1.00 44.15 H new ATOM 0 HG LEU A 63 6.589 1.223 16.050 1.00 35.13 H new ATOM 0 HD11 LEU A 63 8.233 -0.565 15.567 1.00 74.13 H new ATOM 0 HD12 LEU A 63 6.742 -0.785 14.619 1.00 74.13 H new ATOM 0 HD13 LEU A 63 8.201 -0.125 13.842 1.00 74.13 H new ATOM 0 HD21 LEU A 63 9.006 1.693 16.129 1.00 2.43 H new ATOM 0 HD22 LEU A 63 8.967 2.152 14.410 1.00 2.43 H new ATOM 0 HD23 LEU A 63 8.083 3.124 15.610 1.00 2.43 H new ATOM 1015 N ILE A 64 3.918 3.231 12.673 1.00 20.24 N ATOM 1016 CA ILE A 64 3.190 3.527 11.458 1.00 10.22 C ATOM 1017 C ILE A 64 2.654 4.986 11.500 1.00 43.21 C ATOM 1018 O ILE A 64 2.473 5.630 10.472 1.00 43.43 O ATOM 1019 CB ILE A 64 2.048 2.478 11.241 1.00 3.23 C ATOM 1020 CG1 ILE A 64 1.496 2.537 9.817 1.00 11.43 C ATOM 1021 CG2 ILE A 64 0.917 2.674 12.260 1.00 35.32 C ATOM 1022 CD1 ILE A 64 0.481 1.443 9.514 1.00 21.32 C ATOM 0 H ILE A 64 3.433 2.601 13.311 1.00 20.24 H new ATOM 0 HA ILE A 64 3.861 3.452 10.602 1.00 10.22 H new ATOM 0 HB ILE A 64 2.483 1.490 11.394 1.00 3.23 H new ATOM 0 HG12 ILE A 64 1.030 3.509 9.656 1.00 11.43 H new ATOM 0 HG13 ILE A 64 2.323 2.460 9.111 1.00 11.43 H new ATOM 0 HG21 ILE A 64 0.138 1.932 12.086 1.00 35.32 H new ATOM 0 HG22 ILE A 64 1.312 2.556 13.269 1.00 35.32 H new ATOM 0 HG23 ILE A 64 0.497 3.674 12.150 1.00 35.32 H new ATOM 0 HD11 ILE A 64 0.131 1.545 8.487 1.00 21.32 H new ATOM 0 HD12 ILE A 64 0.949 0.467 9.642 1.00 21.32 H new ATOM 0 HD13 ILE A 64 -0.365 1.532 10.196 1.00 21.32 H new ATOM 1034 N ARG A 65 2.475 5.499 12.718 1.00 45.44 N ATOM 1035 CA ARG A 65 2.010 6.864 12.970 1.00 53.41 C ATOM 1036 C ARG A 65 3.093 7.901 12.773 1.00 75.35 C ATOM 1037 O ARG A 65 2.798 9.086 12.660 1.00 43.32 O ATOM 1038 CB ARG A 65 1.385 6.968 14.363 1.00 31.52 C ATOM 1039 CG ARG A 65 -0.126 6.873 14.341 1.00 74.04 C ATOM 1040 CD ARG A 65 -0.785 8.259 14.183 1.00 65.31 C ATOM 1041 NE ARG A 65 -0.125 9.144 13.193 1.00 11.13 N ATOM 1042 CZ ARG A 65 -0.729 10.135 12.520 1.00 33.00 C ATOM 1043 NH1 ARG A 65 -2.049 10.275 12.564 1.00 2.10 N ATOM 1044 NH2 ARG A 65 -0.003 10.988 11.819 1.00 43.51 N ATOM 0 H ARG A 65 2.652 4.969 13.571 1.00 45.44 H new ATOM 0 HA ARG A 65 1.244 7.083 12.226 1.00 53.41 H new ATOM 0 HB2 ARG A 65 1.784 6.175 14.995 1.00 31.52 H new ATOM 0 HB3 ARG A 65 1.678 7.915 14.817 1.00 31.52 H new ATOM 0 HG2 ARG A 65 -0.438 6.227 13.520 1.00 74.04 H new ATOM 0 HG3 ARG A 65 -0.474 6.408 15.263 1.00 74.04 H new ATOM 0 HD2 ARG A 65 -1.826 8.121 13.891 1.00 65.31 H new ATOM 0 HD3 ARG A 65 -0.789 8.758 15.152 1.00 65.31 H new ATOM 0 HE ARG A 65 0.866 8.987 13.009 1.00 11.13 H new ATOM 0 HH11 ARG A 65 -2.613 9.626 13.113 1.00 2.10 H new ATOM 0 HH12 ARG A 65 -2.499 11.032 12.049 1.00 2.10 H new ATOM 0 HH21 ARG A 65 1.012 10.891 11.791 1.00 43.51 H new ATOM 0 HH22 ARG A 65 -0.458 11.743 11.306 1.00 43.51 H new ATOM 1058 N ARG A 66 4.329 7.458 12.726 1.00 74.04 N ATOM 1059 CA ARG A 66 5.460 8.341 12.500 1.00 11.14 C ATOM 1060 C ARG A 66 5.810 8.463 11.019 1.00 72.10 C ATOM 1061 O ARG A 66 6.849 9.015 10.645 1.00 13.00 O ATOM 1062 CB ARG A 66 6.665 7.955 13.363 1.00 51.23 C ATOM 1063 CG ARG A 66 6.473 8.315 14.829 1.00 24.40 C ATOM 1064 CD ARG A 66 7.700 8.010 15.663 1.00 40.02 C ATOM 1065 NE ARG A 66 7.831 6.589 16.008 1.00 61.44 N ATOM 1066 CZ ARG A 66 8.982 5.916 16.024 1.00 63.40 C ATOM 1067 NH1 ARG A 66 10.023 6.351 15.334 1.00 31.14 N ATOM 1068 NH2 ARG A 66 9.071 4.779 16.681 1.00 23.21 N ATOM 0 H ARG A 66 4.583 6.477 12.843 1.00 74.04 H new ATOM 0 HA ARG A 66 5.157 9.338 12.821 1.00 11.14 H new ATOM 0 HB2 ARG A 66 6.841 6.883 13.276 1.00 51.23 H new ATOM 0 HB3 ARG A 66 7.555 8.456 12.983 1.00 51.23 H new ATOM 0 HG2 ARG A 66 6.235 9.375 14.912 1.00 24.40 H new ATOM 0 HG3 ARG A 66 5.620 7.765 15.227 1.00 24.40 H new ATOM 0 HD2 ARG A 66 8.589 8.328 15.118 1.00 40.02 H new ATOM 0 HD3 ARG A 66 7.662 8.597 16.581 1.00 40.02 H new ATOM 0 HE ARG A 66 6.981 6.081 16.253 1.00 61.44 H new ATOM 0 HH11 ARG A 66 9.949 7.207 14.784 1.00 31.14 H new ATOM 0 HH12 ARG A 66 10.900 5.830 15.351 1.00 31.14 H new ATOM 0 HH21 ARG A 66 8.259 4.412 17.178 1.00 23.21 H new ATOM 0 HH22 ARG A 66 9.952 4.264 16.693 1.00 23.21 H new ATOM 1082 N HIS A 67 4.951 7.937 10.184 1.00 13.03 N ATOM 1083 CA HIS A 67 5.083 8.076 8.751 1.00 65.01 C ATOM 1084 C HIS A 67 3.767 8.582 8.193 1.00 1.42 C ATOM 1085 O HIS A 67 2.700 8.117 8.596 1.00 22.03 O ATOM 1086 CB HIS A 67 5.539 6.763 8.072 1.00 1.13 C ATOM 1087 CG HIS A 67 6.949 6.341 8.438 1.00 22.31 C ATOM 1088 ND1 HIS A 67 8.034 6.509 7.600 1.00 1.53 N ATOM 1089 CD2 HIS A 67 7.444 5.752 9.563 1.00 33.44 C ATOM 1090 CE1 HIS A 67 9.121 6.051 8.191 1.00 22.51 C ATOM 1091 NE2 HIS A 67 8.796 5.588 9.380 1.00 72.24 N ATOM 0 H HIS A 67 4.136 7.398 10.477 1.00 13.03 H new ATOM 0 HA HIS A 67 5.869 8.799 8.533 1.00 65.01 H new ATOM 0 HB2 HIS A 67 4.849 5.965 8.345 1.00 1.13 H new ATOM 0 HB3 HIS A 67 5.475 6.883 6.991 1.00 1.13 H new ATOM 0 HD2 HIS A 67 6.878 5.467 10.437 1.00 33.44 H new ATOM 0 HE1 HIS A 67 10.115 6.055 7.769 1.00 22.51 H new ATOM 0 HE2 HIS A 67 9.441 5.176 10.054 1.00 72.24 H new ATOM 1100 N GLU A 68 3.840 9.511 7.260 1.00 64.11 N ATOM 1101 CA GLU A 68 2.665 10.226 6.735 1.00 5.23 C ATOM 1102 C GLU A 68 1.964 9.487 5.601 1.00 34.55 C ATOM 1103 O GLU A 68 1.217 10.081 4.834 1.00 12.02 O ATOM 1104 CB GLU A 68 3.050 11.643 6.312 1.00 53.14 C ATOM 1105 CG GLU A 68 3.465 12.537 7.474 1.00 1.02 C ATOM 1106 CD GLU A 68 2.348 12.715 8.486 1.00 32.34 C ATOM 1107 OE1 GLU A 68 1.451 13.560 8.254 1.00 61.10 O ATOM 1108 OE2 GLU A 68 2.342 12.018 9.527 1.00 72.44 O ATOM 0 H GLU A 68 4.719 9.802 6.833 1.00 64.11 H new ATOM 0 HA GLU A 68 1.942 10.279 7.549 1.00 5.23 H new ATOM 0 HB2 GLU A 68 3.870 11.589 5.596 1.00 53.14 H new ATOM 0 HB3 GLU A 68 2.206 12.101 5.796 1.00 53.14 H new ATOM 0 HG2 GLU A 68 4.336 12.107 7.968 1.00 1.02 H new ATOM 0 HG3 GLU A 68 3.765 13.512 7.091 1.00 1.02 H new ATOM 1115 N ARG A 69 2.151 8.174 5.562 1.00 3.00 N ATOM 1116 CA ARG A 69 1.566 7.273 4.548 1.00 22.11 C ATOM 1117 C ARG A 69 2.205 7.457 3.164 1.00 4.14 C ATOM 1118 O ARG A 69 2.556 6.481 2.522 1.00 61.50 O ATOM 1119 CB ARG A 69 0.000 7.323 4.413 1.00 35.34 C ATOM 1120 CG ARG A 69 -0.859 6.894 5.606 1.00 32.13 C ATOM 1121 CD ARG A 69 -1.235 8.025 6.541 1.00 30.21 C ATOM 1122 NE ARG A 69 -0.229 8.427 7.498 1.00 53.23 N ATOM 1123 CZ ARG A 69 -0.295 9.567 8.205 1.00 33.42 C ATOM 1124 NH1 ARG A 69 -1.312 10.415 8.031 1.00 43.01 N ATOM 1125 NH2 ARG A 69 0.652 9.851 9.068 1.00 1.12 N ATOM 0 H ARG A 69 2.726 7.683 6.247 1.00 3.00 H new ATOM 0 HA ARG A 69 1.805 6.284 4.939 1.00 22.11 H new ATOM 0 HB2 ARG A 69 -0.276 8.346 4.159 1.00 35.34 H new ATOM 0 HB3 ARG A 69 -0.278 6.697 3.565 1.00 35.34 H new ATOM 0 HG2 ARG A 69 -1.771 6.428 5.233 1.00 32.13 H new ATOM 0 HG3 ARG A 69 -0.321 6.134 6.172 1.00 32.13 H new ATOM 0 HD2 ARG A 69 -1.500 8.894 5.938 1.00 30.21 H new ATOM 0 HD3 ARG A 69 -2.131 7.732 7.089 1.00 30.21 H new ATOM 0 HE ARG A 69 0.572 7.813 7.644 1.00 53.23 H new ATOM 0 HH11 ARG A 69 -2.046 10.199 7.357 1.00 43.01 H new ATOM 0 HH12 ARG A 69 -1.354 11.279 8.572 1.00 43.01 H new ATOM 0 HH21 ARG A 69 1.433 9.208 9.199 1.00 1.12 H new ATOM 0 HH22 ARG A 69 0.608 10.715 9.608 1.00 1.12 H new ATOM 1139 N ASP A 70 2.357 8.710 2.730 1.00 55.11 N ATOM 1140 CA ASP A 70 2.933 9.071 1.415 1.00 24.53 C ATOM 1141 C ASP A 70 4.252 8.389 1.138 1.00 63.05 C ATOM 1142 O ASP A 70 4.461 7.851 0.032 1.00 64.12 O ATOM 1143 CB ASP A 70 3.117 10.582 1.287 1.00 73.14 C ATOM 1144 CG ASP A 70 1.828 11.341 1.138 1.00 14.44 C ATOM 1145 OD1 ASP A 70 1.104 11.510 2.133 1.00 21.05 O ATOM 1146 OD2 ASP A 70 1.529 11.807 0.010 1.00 12.40 O ATOM 0 H ASP A 70 2.082 9.521 3.284 1.00 55.11 H new ATOM 0 HA ASP A 70 2.213 8.721 0.675 1.00 24.53 H new ATOM 0 HB2 ASP A 70 3.645 10.950 2.167 1.00 73.14 H new ATOM 0 HB3 ASP A 70 3.751 10.789 0.425 1.00 73.14 H new ATOM 1151 N GLU A 71 5.146 8.420 2.115 1.00 41.11 N ATOM 1152 CA GLU A 71 6.461 7.797 1.990 1.00 11.23 C ATOM 1153 C GLU A 71 6.290 6.320 1.699 1.00 25.04 C ATOM 1154 O GLU A 71 6.865 5.775 0.759 1.00 74.51 O ATOM 1155 CB GLU A 71 7.290 7.913 3.286 1.00 71.24 C ATOM 1156 CG GLU A 71 7.375 9.292 3.932 1.00 62.41 C ATOM 1157 CD GLU A 71 6.151 9.636 4.744 1.00 33.12 C ATOM 1158 OE1 GLU A 71 6.175 9.403 5.971 1.00 13.45 O ATOM 1159 OE2 GLU A 71 5.163 10.121 4.177 1.00 4.22 O ATOM 0 H GLU A 71 4.984 8.875 3.014 1.00 41.11 H new ATOM 0 HA GLU A 71 6.983 8.316 1.186 1.00 11.23 H new ATOM 0 HB2 GLU A 71 6.873 7.221 4.018 1.00 71.24 H new ATOM 0 HB3 GLU A 71 8.304 7.577 3.071 1.00 71.24 H new ATOM 0 HG2 GLU A 71 8.255 9.333 4.575 1.00 62.41 H new ATOM 0 HG3 GLU A 71 7.513 10.044 3.155 1.00 62.41 H new ATOM 1166 N ILE A 72 5.461 5.701 2.513 1.00 53.34 N ATOM 1167 CA ILE A 72 5.188 4.289 2.440 1.00 14.02 C ATOM 1168 C ILE A 72 4.572 3.944 1.096 1.00 21.33 C ATOM 1169 O ILE A 72 4.979 2.997 0.444 1.00 32.22 O ATOM 1170 CB ILE A 72 4.217 3.867 3.580 1.00 11.43 C ATOM 1171 CG1 ILE A 72 4.821 4.205 4.957 1.00 34.14 C ATOM 1172 CG2 ILE A 72 3.870 2.383 3.485 1.00 14.14 C ATOM 1173 CD1 ILE A 72 3.922 3.863 6.133 1.00 53.44 C ATOM 0 H ILE A 72 4.951 6.178 3.256 1.00 53.34 H new ATOM 0 HA ILE A 72 6.128 3.750 2.554 1.00 14.02 H new ATOM 0 HB ILE A 72 3.292 4.432 3.464 1.00 11.43 H new ATOM 0 HG12 ILE A 72 5.765 3.671 5.068 1.00 34.14 H new ATOM 0 HG13 ILE A 72 5.052 5.270 4.988 1.00 34.14 H new ATOM 0 HG21 ILE A 72 3.190 2.116 4.294 1.00 14.14 H new ATOM 0 HG22 ILE A 72 3.391 2.182 2.527 1.00 14.14 H new ATOM 0 HG23 ILE A 72 4.781 1.790 3.566 1.00 14.14 H new ATOM 0 HD11 ILE A 72 4.422 4.132 7.063 1.00 53.44 H new ATOM 0 HD12 ILE A 72 2.987 4.417 6.050 1.00 53.44 H new ATOM 0 HD13 ILE A 72 3.711 2.794 6.131 1.00 53.44 H new ATOM 1185 N MET A 73 3.626 4.754 0.686 1.00 53.33 N ATOM 1186 CA MET A 73 2.875 4.533 -0.529 1.00 21.22 C ATOM 1187 C MET A 73 3.751 4.564 -1.788 1.00 1.13 C ATOM 1188 O MET A 73 3.610 3.693 -2.672 1.00 33.13 O ATOM 1189 CB MET A 73 1.725 5.522 -0.640 1.00 15.14 C ATOM 1190 CG MET A 73 0.874 5.298 -1.858 1.00 34.21 C ATOM 1191 SD MET A 73 0.184 3.660 -1.894 1.00 5.43 S ATOM 1192 CE MET A 73 -0.717 3.723 -3.426 1.00 15.24 C ATOM 0 H MET A 73 3.352 5.596 1.192 1.00 53.33 H new ATOM 0 HA MET A 73 2.466 3.525 -0.464 1.00 21.22 H new ATOM 0 HB2 MET A 73 1.101 5.447 0.251 1.00 15.14 H new ATOM 0 HB3 MET A 73 2.126 6.535 -0.665 1.00 15.14 H new ATOM 0 HG2 MET A 73 0.068 6.032 -1.877 1.00 34.21 H new ATOM 0 HG3 MET A 73 1.473 5.459 -2.754 1.00 34.21 H new ATOM 0 HE1 MET A 73 -0.877 2.710 -3.796 1.00 15.24 H new ATOM 0 HE2 MET A 73 -1.680 4.206 -3.262 1.00 15.24 H new ATOM 0 HE3 MET A 73 -0.146 4.291 -4.161 1.00 15.24 H new ATOM 1202 N GLU A 74 4.667 5.541 -1.887 1.00 13.22 N ATOM 1203 CA GLU A 74 5.531 5.583 -3.063 1.00 3.43 C ATOM 1204 C GLU A 74 6.436 4.369 -3.072 1.00 23.31 C ATOM 1205 O GLU A 74 6.680 3.777 -4.116 1.00 2.01 O ATOM 1206 CB GLU A 74 6.367 6.886 -3.188 1.00 44.41 C ATOM 1207 CG GLU A 74 7.363 7.136 -2.063 1.00 1.21 C ATOM 1208 CD GLU A 74 8.241 8.344 -2.307 1.00 75.32 C ATOM 1209 OE1 GLU A 74 9.386 8.179 -2.802 1.00 51.32 O ATOM 1210 OE2 GLU A 74 7.803 9.481 -2.019 1.00 55.32 O ATOM 0 H GLU A 74 4.821 6.278 -1.199 1.00 13.22 H new ATOM 0 HA GLU A 74 4.873 5.573 -3.932 1.00 3.43 H new ATOM 0 HB2 GLU A 74 6.911 6.859 -4.132 1.00 44.41 H new ATOM 0 HB3 GLU A 74 5.683 7.733 -3.239 1.00 44.41 H new ATOM 0 HG2 GLU A 74 6.820 7.272 -1.128 1.00 1.21 H new ATOM 0 HG3 GLU A 74 7.993 6.255 -1.941 1.00 1.21 H new ATOM 1217 N GLU A 75 6.883 3.976 -1.888 1.00 2.21 N ATOM 1218 CA GLU A 75 7.759 2.848 -1.740 1.00 34.30 C ATOM 1219 C GLU A 75 7.041 1.550 -2.111 1.00 74.01 C ATOM 1220 O GLU A 75 7.612 0.698 -2.781 1.00 62.15 O ATOM 1221 CB GLU A 75 8.310 2.774 -0.320 1.00 25.01 C ATOM 1222 CG GLU A 75 9.352 1.693 -0.135 1.00 43.32 C ATOM 1223 CD GLU A 75 10.541 1.907 -1.038 1.00 62.12 C ATOM 1224 OE1 GLU A 75 10.481 1.527 -2.211 1.00 52.00 O ATOM 1225 OE2 GLU A 75 11.549 2.468 -0.577 1.00 4.12 O ATOM 0 H GLU A 75 6.643 4.437 -1.010 1.00 2.21 H new ATOM 0 HA GLU A 75 8.598 2.979 -2.424 1.00 34.30 H new ATOM 0 HB2 GLU A 75 8.746 3.738 -0.057 1.00 25.01 H new ATOM 0 HB3 GLU A 75 7.487 2.597 0.372 1.00 25.01 H new ATOM 0 HG2 GLU A 75 9.681 1.679 0.904 1.00 43.32 H new ATOM 0 HG3 GLU A 75 8.908 0.719 -0.342 1.00 43.32 H new ATOM 1232 N LEU A 76 5.782 1.415 -1.684 1.00 65.35 N ATOM 1233 CA LEU A 76 4.970 0.236 -2.018 1.00 21.43 C ATOM 1234 C LEU A 76 4.947 0.023 -3.513 1.00 14.13 C ATOM 1235 O LEU A 76 5.201 -1.075 -3.998 1.00 74.32 O ATOM 1236 CB LEU A 76 3.523 0.389 -1.519 1.00 23.34 C ATOM 1237 CG LEU A 76 3.311 0.494 -0.010 1.00 50.44 C ATOM 1238 CD1 LEU A 76 1.836 0.667 0.302 1.00 71.34 C ATOM 1239 CD2 LEU A 76 3.853 -0.732 0.696 1.00 14.24 C ATOM 0 H LEU A 76 5.301 2.105 -1.107 1.00 65.35 H new ATOM 0 HA LEU A 76 5.425 -0.622 -1.523 1.00 21.43 H new ATOM 0 HB2 LEU A 76 3.099 1.280 -1.982 1.00 23.34 H new ATOM 0 HB3 LEU A 76 2.949 -0.463 -1.882 1.00 23.34 H new ATOM 0 HG LEU A 76 3.854 1.367 0.352 1.00 50.44 H new ATOM 0 HD11 LEU A 76 1.698 0.741 1.381 1.00 71.34 H new ATOM 0 HD12 LEU A 76 1.468 1.576 -0.174 1.00 71.34 H new ATOM 0 HD13 LEU A 76 1.281 -0.191 -0.077 1.00 71.34 H new ATOM 0 HD21 LEU A 76 3.691 -0.635 1.770 1.00 14.24 H new ATOM 0 HD22 LEU A 76 3.338 -1.620 0.330 1.00 14.24 H new ATOM 0 HD23 LEU A 76 4.921 -0.824 0.497 1.00 14.24 H new ATOM 1251 N THR A 77 4.692 1.091 -4.225 1.00 32.11 N ATOM 1252 CA THR A 77 4.603 1.053 -5.655 1.00 50.04 C ATOM 1253 C THR A 77 6.006 0.829 -6.288 1.00 1.04 C ATOM 1254 O THR A 77 6.170 0.002 -7.201 1.00 0.31 O ATOM 1255 CB THR A 77 3.996 2.379 -6.168 1.00 30.04 C ATOM 1256 OG1 THR A 77 2.765 2.646 -5.464 1.00 42.30 O ATOM 1257 CG2 THR A 77 3.700 2.300 -7.658 1.00 24.32 C ATOM 0 H THR A 77 4.540 2.016 -3.822 1.00 32.11 H new ATOM 0 HA THR A 77 3.961 0.221 -5.946 1.00 50.04 H new ATOM 0 HB THR A 77 4.717 3.177 -5.992 1.00 30.04 H new ATOM 0 HG1 THR A 77 2.968 2.981 -4.566 1.00 42.30 H new ATOM 0 HG21 THR A 77 3.274 3.245 -7.995 1.00 24.32 H new ATOM 0 HG22 THR A 77 4.624 2.104 -8.203 1.00 24.32 H new ATOM 0 HG23 THR A 77 2.990 1.494 -7.846 1.00 24.32 H new ATOM 1265 N LYS A 78 7.001 1.539 -5.763 1.00 21.10 N ATOM 1266 CA LYS A 78 8.340 1.532 -6.272 1.00 70.45 C ATOM 1267 C LYS A 78 8.955 0.139 -6.127 1.00 62.23 C ATOM 1268 O LYS A 78 9.510 -0.411 -7.063 1.00 61.32 O ATOM 1269 CB LYS A 78 9.142 2.564 -5.458 1.00 23.32 C ATOM 1270 CG LYS A 78 10.274 3.225 -6.198 1.00 53.41 C ATOM 1271 CD LYS A 78 11.413 2.316 -6.569 1.00 52.30 C ATOM 1272 CE LYS A 78 12.371 1.991 -5.417 1.00 30.41 C ATOM 1273 NZ LYS A 78 11.801 1.116 -4.368 1.00 13.22 N ATOM 0 H LYS A 78 6.880 2.145 -4.952 1.00 21.10 H new ATOM 0 HA LYS A 78 8.353 1.787 -7.332 1.00 70.45 H new ATOM 0 HB2 LYS A 78 8.458 3.337 -5.107 1.00 23.32 H new ATOM 0 HB3 LYS A 78 9.546 2.071 -4.574 1.00 23.32 H new ATOM 0 HG2 LYS A 78 9.878 3.675 -7.108 1.00 53.41 H new ATOM 0 HG3 LYS A 78 10.663 4.037 -5.584 1.00 53.41 H new ATOM 0 HD2 LYS A 78 11.004 1.384 -6.959 1.00 52.30 H new ATOM 0 HD3 LYS A 78 11.981 2.777 -7.377 1.00 52.30 H new ATOM 0 HE2 LYS A 78 13.261 1.513 -5.826 1.00 30.41 H new ATOM 0 HE3 LYS A 78 12.694 2.925 -4.957 1.00 30.41 H new ATOM 0 HZ1 LYS A 78 12.572 0.663 -3.837 1.00 13.22 H new ATOM 0 HZ2 LYS A 78 11.222 1.685 -3.718 1.00 13.22 H new ATOM 0 HZ3 LYS A 78 11.208 0.385 -4.810 1.00 13.22 H new ATOM 1287 N TYR A 79 8.834 -0.415 -4.961 1.00 40.03 N ATOM 1288 CA TYR A 79 9.414 -1.700 -4.652 1.00 12.53 C ATOM 1289 C TYR A 79 8.689 -2.816 -5.421 1.00 3.14 C ATOM 1290 O TYR A 79 9.324 -3.748 -5.927 1.00 30.32 O ATOM 1291 CB TYR A 79 9.330 -1.911 -3.151 1.00 45.21 C ATOM 1292 CG TYR A 79 10.050 -3.111 -2.605 1.00 15.54 C ATOM 1293 CD1 TYR A 79 11.293 -2.973 -2.010 1.00 42.32 C ATOM 1294 CD2 TYR A 79 9.484 -4.366 -2.655 1.00 2.42 C ATOM 1295 CE1 TYR A 79 11.951 -4.056 -1.474 1.00 62.30 C ATOM 1296 CE2 TYR A 79 10.133 -5.457 -2.130 1.00 52.40 C ATOM 1297 CZ TYR A 79 11.368 -5.297 -1.535 1.00 4.03 C ATOM 1298 OH TYR A 79 12.016 -6.387 -0.991 1.00 4.24 O ATOM 0 H TYR A 79 8.327 0.010 -4.185 1.00 40.03 H new ATOM 0 HA TYR A 79 10.459 -1.728 -4.961 1.00 12.53 H new ATOM 0 HB2 TYR A 79 9.724 -1.022 -2.658 1.00 45.21 H new ATOM 0 HB3 TYR A 79 8.278 -1.988 -2.875 1.00 45.21 H new ATOM 0 HD1 TYR A 79 11.754 -1.997 -1.966 1.00 42.32 H new ATOM 0 HD2 TYR A 79 8.515 -4.494 -3.114 1.00 2.42 H new ATOM 0 HE1 TYR A 79 12.918 -3.931 -1.009 1.00 62.30 H new ATOM 0 HE2 TYR A 79 9.679 -6.435 -2.183 1.00 52.40 H new ATOM 0 HH TYR A 79 11.813 -7.186 -1.520 1.00 4.24 H new ATOM 1308 N TYR A 80 7.364 -2.700 -5.519 1.00 20.04 N ATOM 1309 CA TYR A 80 6.530 -3.670 -6.243 1.00 22.12 C ATOM 1310 C TYR A 80 7.011 -3.777 -7.688 1.00 43.43 C ATOM 1311 O TYR A 80 7.273 -4.870 -8.205 1.00 71.43 O ATOM 1312 CB TYR A 80 5.064 -3.176 -6.232 1.00 21.52 C ATOM 1313 CG TYR A 80 4.022 -4.106 -6.847 1.00 5.13 C ATOM 1314 CD1 TYR A 80 3.197 -4.861 -6.039 1.00 10.32 C ATOM 1315 CD2 TYR A 80 3.844 -4.199 -8.227 1.00 3.42 C ATOM 1316 CE1 TYR A 80 2.230 -5.690 -6.569 1.00 62.14 C ATOM 1317 CE2 TYR A 80 2.875 -5.026 -8.768 1.00 60.11 C ATOM 1318 CZ TYR A 80 2.071 -5.770 -7.930 1.00 31.55 C ATOM 1319 OH TYR A 80 1.098 -6.595 -8.456 1.00 61.11 O ATOM 0 H TYR A 80 6.836 -1.934 -5.101 1.00 20.04 H new ATOM 0 HA TYR A 80 6.600 -4.646 -5.763 1.00 22.12 H new ATOM 0 HB2 TYR A 80 4.778 -2.982 -5.198 1.00 21.52 H new ATOM 0 HB3 TYR A 80 5.022 -2.223 -6.759 1.00 21.52 H new ATOM 0 HD1 TYR A 80 3.311 -4.802 -4.967 1.00 10.32 H new ATOM 0 HD2 TYR A 80 4.472 -3.616 -8.884 1.00 3.42 H new ATOM 0 HE1 TYR A 80 1.600 -6.274 -5.915 1.00 62.14 H new ATOM 0 HE2 TYR A 80 2.749 -5.088 -9.839 1.00 60.11 H new ATOM 0 HH TYR A 80 0.465 -6.061 -8.981 1.00 61.11 H new ATOM 1329 N LEU A 81 7.134 -2.635 -8.317 1.00 2.02 N ATOM 1330 CA LEU A 81 7.514 -2.553 -9.700 1.00 12.43 C ATOM 1331 C LEU A 81 8.979 -2.870 -9.950 1.00 41.15 C ATOM 1332 O LEU A 81 9.325 -3.400 -11.018 1.00 3.32 O ATOM 1333 CB LEU A 81 7.084 -1.223 -10.298 1.00 20.13 C ATOM 1334 CG LEU A 81 5.562 -1.023 -10.356 1.00 72.23 C ATOM 1335 CD1 LEU A 81 5.217 0.356 -10.854 1.00 10.21 C ATOM 1336 CD2 LEU A 81 4.928 -2.075 -11.256 1.00 22.04 C ATOM 0 H LEU A 81 6.971 -1.729 -7.877 1.00 2.02 H new ATOM 0 HA LEU A 81 6.974 -3.342 -10.224 1.00 12.43 H new ATOM 0 HB2 LEU A 81 7.524 -0.415 -9.713 1.00 20.13 H new ATOM 0 HB3 LEU A 81 7.489 -1.143 -11.307 1.00 20.13 H new ATOM 0 HG LEU A 81 5.167 -1.131 -9.346 1.00 72.23 H new ATOM 0 HD11 LEU A 81 4.134 0.471 -10.885 1.00 10.21 H new ATOM 0 HD12 LEU A 81 5.642 1.102 -10.183 1.00 10.21 H new ATOM 0 HD13 LEU A 81 5.626 0.494 -11.855 1.00 10.21 H new ATOM 0 HD21 LEU A 81 3.849 -1.923 -11.289 1.00 22.04 H new ATOM 0 HD22 LEU A 81 5.338 -1.988 -12.262 1.00 22.04 H new ATOM 0 HD23 LEU A 81 5.143 -3.068 -10.862 1.00 22.04 H new ATOM 1348 N ALA A 82 9.834 -2.615 -8.965 1.00 42.50 N ATOM 1349 CA ALA A 82 11.263 -2.869 -9.132 1.00 55.14 C ATOM 1350 C ALA A 82 11.532 -4.360 -9.235 1.00 14.34 C ATOM 1351 O ALA A 82 12.448 -4.803 -9.940 1.00 33.25 O ATOM 1352 CB ALA A 82 12.057 -2.265 -7.993 1.00 72.15 C ATOM 0 H ALA A 82 9.569 -2.238 -8.055 1.00 42.50 H new ATOM 0 HA ALA A 82 11.584 -2.394 -10.059 1.00 55.14 H new ATOM 0 HB1 ALA A 82 13.118 -2.468 -8.141 1.00 72.15 H new ATOM 0 HB2 ALA A 82 11.894 -1.188 -7.967 1.00 72.15 H new ATOM 0 HB3 ALA A 82 11.732 -2.704 -7.050 1.00 72.15 H new ATOM 1358 N ASN A 83 10.692 -5.137 -8.578 1.00 52.24 N ATOM 1359 CA ASN A 83 10.826 -6.587 -8.568 1.00 61.31 C ATOM 1360 C ASN A 83 10.329 -7.248 -9.841 1.00 11.10 C ATOM 1361 O ASN A 83 10.333 -8.461 -9.956 1.00 43.14 O ATOM 1362 CB ASN A 83 10.228 -7.217 -7.320 1.00 51.25 C ATOM 1363 CG ASN A 83 11.093 -7.014 -6.095 1.00 4.21 C ATOM 1364 OD1 ASN A 83 11.958 -7.836 -5.797 1.00 1.44 O ATOM 1365 ND2 ASN A 83 10.885 -5.936 -5.386 1.00 70.34 N ATOM 0 H ASN A 83 9.901 -4.787 -8.038 1.00 52.24 H new ATOM 0 HA ASN A 83 11.898 -6.780 -8.535 1.00 61.31 H new ATOM 0 HB2 ASN A 83 9.242 -6.790 -7.139 1.00 51.25 H new ATOM 0 HB3 ASN A 83 10.087 -8.285 -7.488 1.00 51.25 H new ATOM 0 HD21 ASN A 83 11.449 -5.755 -4.556 1.00 70.34 H new ATOM 0 HD22 ASN A 83 10.159 -5.276 -5.663 1.00 70.34 H new ATOM 1372 N HIS A 84 9.921 -6.444 -10.815 1.00 30.14 N ATOM 1373 CA HIS A 84 9.608 -6.980 -12.144 1.00 2.14 C ATOM 1374 C HIS A 84 10.858 -7.005 -12.989 1.00 24.32 C ATOM 1375 O HIS A 84 10.812 -7.281 -14.182 1.00 32.52 O ATOM 1376 CB HIS A 84 8.495 -6.200 -12.877 1.00 71.32 C ATOM 1377 CG HIS A 84 7.108 -6.477 -12.395 1.00 53.45 C ATOM 1378 ND1 HIS A 84 6.362 -5.897 -11.437 1.00 61.11 N flip ATOM 1379 CD2 HIS A 84 6.331 -7.470 -12.921 1.00 70.24 C flip ATOM 1380 CE1 HIS A 84 5.165 -6.554 -11.402 1.00 3.41 C flip ATOM 1381 NE2 HIS A 84 5.181 -7.497 -12.315 1.00 21.31 N flip ATOM 0 H HIS A 84 9.799 -5.436 -10.719 1.00 30.14 H new ATOM 0 HA HIS A 84 9.228 -7.990 -11.992 1.00 2.14 H new ATOM 0 HB2 HIS A 84 8.693 -5.133 -12.775 1.00 71.32 H new ATOM 0 HB3 HIS A 84 8.548 -6.434 -13.940 1.00 71.32 H new ATOM 0 HD2 HIS A 84 6.628 -8.133 -13.720 1.00 70.24 H new ATOM 0 HE1 HIS A 84 4.344 -6.335 -10.736 1.00 3.41 H new ATOM 0 HE2 HIS A 84 4.418 -8.144 -12.516 1.00 21.31 H new ATOM 1390 N GLY A 85 11.984 -6.718 -12.356 1.00 44.14 N ATOM 1391 CA GLY A 85 13.241 -6.670 -13.051 1.00 31.11 C ATOM 1392 C GLY A 85 13.414 -5.332 -13.705 1.00 74.42 C ATOM 1393 O GLY A 85 14.248 -5.156 -14.585 1.00 51.23 O ATOM 0 H GLY A 85 12.043 -6.515 -11.358 1.00 44.14 H new ATOM 0 HA2 GLY A 85 14.059 -6.852 -12.354 1.00 31.11 H new ATOM 0 HA3 GLY A 85 13.281 -7.459 -13.802 1.00 31.11 H new ATOM 1397 N ILE A 86 12.615 -4.392 -13.263 1.00 34.20 N ATOM 1398 CA ILE A 86 12.601 -3.068 -13.804 1.00 52.14 C ATOM 1399 C ILE A 86 13.382 -2.153 -12.903 1.00 1.04 C ATOM 1400 O ILE A 86 13.208 -2.178 -11.682 1.00 21.11 O ATOM 1401 CB ILE A 86 11.149 -2.538 -13.943 1.00 52.15 C ATOM 1402 CG1 ILE A 86 10.347 -3.415 -14.917 1.00 52.40 C ATOM 1403 CG2 ILE A 86 11.137 -1.077 -14.384 1.00 20.34 C ATOM 1404 CD1 ILE A 86 8.914 -2.971 -15.107 1.00 25.34 C ATOM 0 H ILE A 86 11.948 -4.534 -12.505 1.00 34.20 H new ATOM 0 HA ILE A 86 13.054 -3.095 -14.795 1.00 52.14 H new ATOM 0 HB ILE A 86 10.672 -2.591 -12.964 1.00 52.15 H new ATOM 0 HG12 ILE A 86 10.848 -3.416 -15.885 1.00 52.40 H new ATOM 0 HG13 ILE A 86 10.353 -4.443 -14.554 1.00 52.40 H new ATOM 0 HG21 ILE A 86 10.107 -0.732 -14.473 1.00 20.34 H new ATOM 0 HG22 ILE A 86 11.660 -0.470 -13.645 1.00 20.34 H new ATOM 0 HG23 ILE A 86 11.635 -0.984 -15.349 1.00 20.34 H new ATOM 0 HD11 ILE A 86 8.416 -3.640 -15.808 1.00 25.34 H new ATOM 0 HD12 ILE A 86 8.395 -2.997 -14.149 1.00 25.34 H new ATOM 0 HD13 ILE A 86 8.897 -1.955 -15.501 1.00 25.34 H new ATOM 1416 N ASP A 87 14.246 -1.376 -13.480 1.00 14.50 N ATOM 1417 CA ASP A 87 14.996 -0.422 -12.709 1.00 44.11 C ATOM 1418 C ASP A 87 14.310 0.914 -12.765 1.00 64.21 C ATOM 1419 O ASP A 87 14.129 1.494 -13.851 1.00 11.11 O ATOM 1420 CB ASP A 87 16.441 -0.314 -13.183 1.00 73.12 C ATOM 1421 CG ASP A 87 17.205 0.748 -12.422 1.00 53.32 C ATOM 1422 OD1 ASP A 87 17.464 0.565 -11.215 1.00 1.53 O ATOM 1423 OD2 ASP A 87 17.569 1.774 -13.022 1.00 54.31 O ATOM 0 H ASP A 87 14.452 -1.380 -14.479 1.00 14.50 H new ATOM 0 HA ASP A 87 15.031 -0.768 -11.676 1.00 44.11 H new ATOM 0 HB2 ASP A 87 16.937 -1.277 -13.060 1.00 73.12 H new ATOM 0 HB3 ASP A 87 16.458 -0.081 -14.248 1.00 73.12 H new ATOM 1428 N ILE A 88 13.923 1.394 -11.620 1.00 34.34 N ATOM 1429 CA ILE A 88 13.198 2.620 -11.518 1.00 73.04 C ATOM 1430 C ILE A 88 14.150 3.751 -11.250 1.00 74.41 C ATOM 1431 O ILE A 88 15.013 3.668 -10.362 1.00 41.23 O ATOM 1432 CB ILE A 88 12.135 2.546 -10.409 1.00 61.43 C ATOM 1433 CG1 ILE A 88 11.203 1.358 -10.670 1.00 44.41 C ATOM 1434 CG2 ILE A 88 11.340 3.851 -10.343 1.00 2.21 C ATOM 1435 CD1 ILE A 88 10.109 1.203 -9.657 1.00 1.21 C ATOM 0 H ILE A 88 14.105 0.940 -10.725 1.00 34.34 H new ATOM 0 HA ILE A 88 12.684 2.796 -12.463 1.00 73.04 H new ATOM 0 HB ILE A 88 12.630 2.403 -9.448 1.00 61.43 H new ATOM 0 HG12 ILE A 88 10.756 1.471 -11.657 1.00 44.41 H new ATOM 0 HG13 ILE A 88 11.795 0.443 -10.692 1.00 44.41 H new ATOM 0 HG21 ILE A 88 10.592 3.782 -9.553 1.00 2.21 H new ATOM 0 HG22 ILE A 88 12.017 4.679 -10.131 1.00 2.21 H new ATOM 0 HG23 ILE A 88 10.844 4.024 -11.298 1.00 2.21 H new ATOM 0 HD11 ILE A 88 9.495 0.340 -9.914 1.00 1.21 H new ATOM 0 HD12 ILE A 88 10.546 1.056 -8.669 1.00 1.21 H new ATOM 0 HD13 ILE A 88 9.490 2.100 -9.650 1.00 1.21 H new ATOM 1447 N LYS A 89 13.993 4.799 -11.990 1.00 73.11 N ATOM 1448 CA LYS A 89 14.889 5.933 -11.915 1.00 71.01 C ATOM 1449 C LYS A 89 14.436 6.899 -10.822 1.00 22.12 C ATOM 1450 O LYS A 89 13.332 6.741 -10.263 1.00 13.30 O ATOM 1451 CB LYS A 89 14.931 6.646 -13.271 1.00 31.41 C ATOM 1452 CG LYS A 89 15.170 5.706 -14.458 1.00 34.22 C ATOM 1453 CD LYS A 89 16.441 4.885 -14.306 1.00 53.24 C ATOM 1454 CE LYS A 89 16.609 3.931 -15.474 1.00 3.02 C ATOM 1455 NZ LYS A 89 17.801 3.073 -15.328 1.00 53.24 N ATOM 0 H LYS A 89 13.240 4.905 -12.670 1.00 73.11 H new ATOM 0 HA LYS A 89 15.889 5.579 -11.666 1.00 71.01 H new ATOM 0 HB2 LYS A 89 13.990 7.175 -13.422 1.00 31.41 H new ATOM 0 HB3 LYS A 89 15.719 7.398 -13.251 1.00 31.41 H new ATOM 0 HG2 LYS A 89 14.318 5.034 -14.562 1.00 34.22 H new ATOM 0 HG3 LYS A 89 15.228 6.292 -15.375 1.00 34.22 H new ATOM 0 HD2 LYS A 89 17.303 5.549 -14.246 1.00 53.24 H new ATOM 0 HD3 LYS A 89 16.407 4.322 -13.373 1.00 53.24 H new ATOM 0 HE2 LYS A 89 15.721 3.305 -15.559 1.00 3.02 H new ATOM 0 HE3 LYS A 89 16.686 4.502 -16.399 1.00 3.02 H new ATOM 0 HZ1 LYS A 89 17.923 2.499 -16.186 1.00 53.24 H new ATOM 0 HZ2 LYS A 89 18.642 3.668 -15.188 1.00 53.24 H new ATOM 0 HZ3 LYS A 89 17.679 2.447 -14.507 1.00 53.24 H new TER 1469 LYS A 89 ATOM 1470 N MET B 1 -2.088 12.922 14.120 1.00 50.44 N ATOM 1471 CA MET B 1 -2.103 13.806 15.279 1.00 33.12 C ATOM 1472 C MET B 1 -3.532 14.084 15.701 1.00 2.51 C ATOM 1473 O MET B 1 -3.786 14.587 16.794 1.00 51.53 O ATOM 1474 CB MET B 1 -1.382 15.122 14.975 1.00 74.34 C ATOM 1475 CG MET B 1 0.079 14.962 14.575 1.00 15.30 C ATOM 1476 SD MET B 1 0.893 16.542 14.208 1.00 42.23 S ATOM 1477 CE MET B 1 0.776 17.372 15.799 1.00 62.13 C ATOM 0 H1 MET B 1 -1.113 12.614 13.931 1.00 50.44 H new ATOM 0 H2 MET B 1 -2.683 12.090 14.310 1.00 50.44 H new ATOM 0 H3 MET B 1 -2.458 13.430 13.291 1.00 50.44 H new ATOM 0 HA MET B 1 -1.577 13.309 16.094 1.00 33.12 H new ATOM 0 HB2 MET B 1 -1.912 15.635 14.172 1.00 74.34 H new ATOM 0 HB3 MET B 1 -1.437 15.764 15.854 1.00 74.34 H new ATOM 0 HG2 MET B 1 0.617 14.461 15.380 1.00 15.30 H new ATOM 0 HG3 MET B 1 0.141 14.316 13.699 1.00 15.30 H new ATOM 0 HE1 MET B 1 1.503 18.183 15.841 1.00 62.13 H new ATOM 0 HE2 MET B 1 -0.228 17.778 15.925 1.00 62.13 H new ATOM 0 HE3 MET B 1 0.981 16.659 16.597 1.00 62.13 H new ATOM 1487 N GLY B 2 -4.452 13.753 14.832 1.00 61.14 N ATOM 1488 CA GLY B 2 -5.842 13.966 15.115 1.00 25.21 C ATOM 1489 C GLY B 2 -6.694 12.872 14.533 1.00 45.51 C ATOM 1490 O GLY B 2 -6.208 11.752 14.302 1.00 0.21 O ATOM 0 H GLY B 2 -4.260 13.334 13.922 1.00 61.14 H new ATOM 0 HA2 GLY B 2 -5.992 14.012 16.194 1.00 25.21 H new ATOM 0 HA3 GLY B 2 -6.154 14.928 14.709 1.00 25.21 H new ATOM 1494 N PHE B 3 -7.949 13.174 14.296 1.00 22.24 N ATOM 1495 CA PHE B 3 -8.861 12.215 13.714 1.00 71.00 C ATOM 1496 C PHE B 3 -9.229 12.647 12.304 1.00 12.01 C ATOM 1497 O PHE B 3 -10.160 13.436 12.092 1.00 14.55 O ATOM 1498 CB PHE B 3 -10.121 12.023 14.600 1.00 31.42 C ATOM 1499 CG PHE B 3 -11.113 10.998 14.079 1.00 23.15 C ATOM 1500 CD1 PHE B 3 -12.264 11.395 13.410 1.00 73.12 C ATOM 1501 CD2 PHE B 3 -10.893 9.645 14.266 1.00 31.31 C ATOM 1502 CE1 PHE B 3 -13.166 10.463 12.938 1.00 40.22 C ATOM 1503 CE2 PHE B 3 -11.794 8.709 13.796 1.00 43.11 C ATOM 1504 CZ PHE B 3 -12.931 9.117 13.132 1.00 30.02 C ATOM 0 H PHE B 3 -8.365 14.083 14.499 1.00 22.24 H new ATOM 0 HA PHE B 3 -8.364 11.247 13.660 1.00 71.00 H new ATOM 0 HB2 PHE B 3 -9.804 11.726 15.600 1.00 31.42 H new ATOM 0 HB3 PHE B 3 -10.629 12.982 14.699 1.00 31.42 H new ATOM 0 HD1 PHE B 3 -12.456 12.447 13.257 1.00 73.12 H new ATOM 0 HD2 PHE B 3 -10.005 9.316 14.786 1.00 31.31 H new ATOM 0 HE1 PHE B 3 -14.055 10.787 12.417 1.00 40.22 H new ATOM 0 HE2 PHE B 3 -11.607 7.656 13.949 1.00 43.11 H new ATOM 0 HZ PHE B 3 -13.636 8.386 12.765 1.00 30.02 H new ATOM 1514 N THR B 4 -8.458 12.188 11.357 1.00 22.14 N ATOM 1515 CA THR B 4 -8.693 12.495 9.981 1.00 1.05 C ATOM 1516 C THR B 4 -9.334 11.304 9.283 1.00 23.43 C ATOM 1517 O THR B 4 -8.648 10.354 8.897 1.00 42.35 O ATOM 1518 CB THR B 4 -7.377 12.899 9.276 1.00 53.03 C ATOM 1519 OG1 THR B 4 -6.381 11.884 9.508 1.00 43.43 O ATOM 1520 CG2 THR B 4 -6.869 14.236 9.800 1.00 44.14 C ATOM 0 H THR B 4 -7.649 11.590 11.522 1.00 22.14 H new ATOM 0 HA THR B 4 -9.377 13.342 9.925 1.00 1.05 H new ATOM 0 HB THR B 4 -7.570 12.997 8.208 1.00 53.03 H new ATOM 0 HG1 THR B 4 -6.779 10.999 9.373 1.00 43.43 H new ATOM 0 HG21 THR B 4 -5.943 14.499 9.289 1.00 44.14 H new ATOM 0 HG22 THR B 4 -7.617 15.007 9.615 1.00 44.14 H new ATOM 0 HG23 THR B 4 -6.684 14.160 10.871 1.00 44.14 H new ATOM 1528 N ASP B 5 -10.641 11.327 9.175 1.00 0.41 N ATOM 1529 CA ASP B 5 -11.345 10.224 8.555 1.00 34.45 C ATOM 1530 C ASP B 5 -11.524 10.493 7.082 1.00 43.01 C ATOM 1531 O ASP B 5 -12.233 11.437 6.683 1.00 14.43 O ATOM 1532 CB ASP B 5 -12.701 9.971 9.231 1.00 51.31 C ATOM 1533 CG ASP B 5 -13.417 8.738 8.687 1.00 21.12 C ATOM 1534 OD1 ASP B 5 -14.370 8.873 7.903 1.00 71.03 O ATOM 1535 OD2 ASP B 5 -13.038 7.605 9.063 1.00 52.35 O ATOM 0 H ASP B 5 -11.236 12.088 9.504 1.00 0.41 H new ATOM 0 HA ASP B 5 -10.746 9.322 8.681 1.00 34.45 H new ATOM 0 HB2 ASP B 5 -12.550 9.853 10.304 1.00 51.31 H new ATOM 0 HB3 ASP B 5 -13.338 10.845 9.093 1.00 51.31 H new ATOM 1540 N GLU B 6 -10.845 9.716 6.282 1.00 22.33 N ATOM 1541 CA GLU B 6 -10.933 9.824 4.853 1.00 44.30 C ATOM 1542 C GLU B 6 -12.217 9.175 4.393 1.00 22.43 C ATOM 1543 O GLU B 6 -12.551 8.101 4.838 1.00 25.30 O ATOM 1544 CB GLU B 6 -9.711 9.175 4.200 1.00 62.34 C ATOM 1545 CG GLU B 6 -9.709 9.228 2.689 1.00 44.52 C ATOM 1546 CD GLU B 6 -9.877 10.628 2.173 1.00 13.25 C ATOM 1547 OE1 GLU B 6 -11.011 10.992 1.805 1.00 64.43 O ATOM 1548 OE2 GLU B 6 -8.887 11.394 2.153 1.00 5.22 O ATOM 0 H GLU B 6 -10.211 8.986 6.607 1.00 22.33 H new ATOM 0 HA GLU B 6 -10.944 10.872 4.555 1.00 44.30 H new ATOM 0 HB2 GLU B 6 -8.812 9.668 4.570 1.00 62.34 H new ATOM 0 HB3 GLU B 6 -9.656 8.133 4.515 1.00 62.34 H new ATOM 0 HG2 GLU B 6 -8.774 8.813 2.313 1.00 44.52 H new ATOM 0 HG3 GLU B 6 -10.513 8.601 2.304 1.00 44.52 H new ATOM 1555 N THR B 7 -12.913 9.822 3.503 1.00 41.53 N ATOM 1556 CA THR B 7 -14.208 9.364 3.103 1.00 55.33 C ATOM 1557 C THR B 7 -14.193 8.766 1.697 1.00 13.24 C ATOM 1558 O THR B 7 -15.228 8.287 1.212 1.00 30.44 O ATOM 1559 CB THR B 7 -15.253 10.514 3.196 1.00 31.31 C ATOM 1560 OG1 THR B 7 -16.568 10.045 2.836 1.00 30.44 O ATOM 1561 CG2 THR B 7 -14.865 11.676 2.293 1.00 62.30 C ATOM 0 H THR B 7 -12.600 10.675 3.039 1.00 41.53 H new ATOM 0 HA THR B 7 -14.497 8.571 3.793 1.00 55.33 H new ATOM 0 HB THR B 7 -15.269 10.858 4.230 1.00 31.31 H new ATOM 0 HG1 THR B 7 -16.489 9.329 2.171 1.00 30.44 H new ATOM 0 HG21 THR B 7 -15.611 12.466 2.376 1.00 62.30 H new ATOM 0 HG22 THR B 7 -13.892 12.063 2.595 1.00 62.30 H new ATOM 0 HG23 THR B 7 -14.814 11.333 1.260 1.00 62.30 H new ATOM 1569 N VAL B 8 -13.054 8.773 1.039 1.00 72.42 N ATOM 1570 CA VAL B 8 -13.007 8.226 -0.296 1.00 51.14 C ATOM 1571 C VAL B 8 -12.948 6.682 -0.299 1.00 31.41 C ATOM 1572 O VAL B 8 -11.888 6.069 -0.213 1.00 2.12 O ATOM 1573 CB VAL B 8 -11.916 8.878 -1.230 1.00 1.11 C ATOM 1574 CG1 VAL B 8 -10.495 8.678 -0.721 1.00 51.14 C ATOM 1575 CG2 VAL B 8 -12.059 8.390 -2.665 1.00 35.32 C ATOM 0 H VAL B 8 -12.172 9.141 1.395 1.00 72.42 H new ATOM 0 HA VAL B 8 -13.958 8.508 -0.747 1.00 51.14 H new ATOM 0 HB VAL B 8 -12.099 9.952 -1.210 1.00 1.11 H new ATOM 0 HG11 VAL B 8 -9.793 9.150 -1.408 1.00 51.14 H new ATOM 0 HG12 VAL B 8 -10.395 9.129 0.266 1.00 51.14 H new ATOM 0 HG13 VAL B 8 -10.278 7.612 -0.656 1.00 51.14 H new ATOM 0 HG21 VAL B 8 -11.294 8.856 -3.286 1.00 35.32 H new ATOM 0 HG22 VAL B 8 -11.940 7.307 -2.695 1.00 35.32 H new ATOM 0 HG23 VAL B 8 -13.046 8.657 -3.044 1.00 35.32 H new ATOM 1585 N ARG B 9 -14.113 6.073 -0.309 1.00 60.23 N ATOM 1586 CA ARG B 9 -14.210 4.635 -0.444 1.00 2.51 C ATOM 1587 C ARG B 9 -14.679 4.333 -1.838 1.00 71.11 C ATOM 1588 O ARG B 9 -15.695 4.883 -2.290 1.00 72.12 O ATOM 1589 CB ARG B 9 -15.167 3.964 0.586 1.00 23.35 C ATOM 1590 CG ARG B 9 -14.742 3.998 2.067 1.00 71.23 C ATOM 1591 CD ARG B 9 -14.794 5.389 2.657 1.00 70.32 C ATOM 1592 NE ARG B 9 -14.366 5.433 4.062 1.00 11.43 N ATOM 1593 CZ ARG B 9 -14.920 6.219 5.000 1.00 54.54 C ATOM 1594 NH1 ARG B 9 -16.060 6.856 4.741 1.00 25.02 N ATOM 1595 NH2 ARG B 9 -14.355 6.332 6.203 1.00 62.35 N ATOM 0 H ARG B 9 -15.010 6.552 -0.225 1.00 60.23 H new ATOM 0 HA ARG B 9 -13.222 4.220 -0.244 1.00 2.51 H new ATOM 0 HB2 ARG B 9 -16.142 4.443 0.503 1.00 23.35 H new ATOM 0 HB3 ARG B 9 -15.298 2.922 0.296 1.00 23.35 H new ATOM 0 HG2 ARG B 9 -15.392 3.339 2.643 1.00 71.23 H new ATOM 0 HG3 ARG B 9 -13.729 3.606 2.159 1.00 71.23 H new ATOM 0 HD2 ARG B 9 -14.159 6.051 2.069 1.00 70.32 H new ATOM 0 HD3 ARG B 9 -15.812 5.772 2.581 1.00 70.32 H new ATOM 0 HE ARG B 9 -13.596 4.826 4.344 1.00 11.43 H new ATOM 0 HH11 ARG B 9 -16.510 6.747 3.832 1.00 25.02 H new ATOM 0 HH12 ARG B 9 -16.483 7.453 5.451 1.00 25.02 H new ATOM 0 HH21 ARG B 9 -13.498 5.820 6.414 1.00 62.35 H new ATOM 0 HH22 ARG B 9 -14.780 6.930 6.912 1.00 62.35 H new ATOM 1609 N PHE B 10 -13.966 3.498 -2.525 1.00 20.45 N ATOM 1610 CA PHE B 10 -14.319 3.163 -3.889 1.00 24.10 C ATOM 1611 C PHE B 10 -15.256 1.956 -3.903 1.00 72.23 C ATOM 1612 O PHE B 10 -15.676 1.467 -2.833 1.00 43.21 O ATOM 1613 CB PHE B 10 -13.058 2.870 -4.701 1.00 73.44 C ATOM 1614 CG PHE B 10 -12.052 3.999 -4.720 1.00 65.32 C ATOM 1615 CD1 PHE B 10 -12.215 5.072 -5.575 1.00 70.24 C ATOM 1616 CD2 PHE B 10 -10.944 3.975 -3.884 1.00 33.20 C ATOM 1617 CE1 PHE B 10 -11.296 6.101 -5.600 1.00 10.31 C ATOM 1618 CE2 PHE B 10 -10.021 5.000 -3.907 1.00 13.14 C ATOM 1619 CZ PHE B 10 -10.196 6.067 -4.766 1.00 42.23 C ATOM 0 H PHE B 10 -13.132 3.029 -2.173 1.00 20.45 H new ATOM 0 HA PHE B 10 -14.834 4.010 -4.342 1.00 24.10 H new ATOM 0 HB2 PHE B 10 -12.578 1.979 -4.296 1.00 73.44 H new ATOM 0 HB3 PHE B 10 -13.346 2.639 -5.726 1.00 73.44 H new ATOM 0 HD1 PHE B 10 -13.072 5.106 -6.232 1.00 70.24 H new ATOM 0 HD2 PHE B 10 -10.803 3.145 -3.208 1.00 33.20 H new ATOM 0 HE1 PHE B 10 -11.437 6.934 -6.273 1.00 10.31 H new ATOM 0 HE2 PHE B 10 -9.162 4.968 -3.253 1.00 13.14 H new ATOM 0 HZ PHE B 10 -9.476 6.871 -4.785 1.00 42.23 H new ATOM 1629 N ASP B 11 -15.586 1.473 -5.074 1.00 71.23 N ATOM 1630 CA ASP B 11 -16.459 0.312 -5.196 1.00 54.43 C ATOM 1631 C ASP B 11 -15.591 -0.959 -5.107 1.00 0.32 C ATOM 1632 O ASP B 11 -14.381 -0.867 -4.869 1.00 25.11 O ATOM 1633 CB ASP B 11 -17.267 0.390 -6.528 1.00 74.20 C ATOM 1634 CG ASP B 11 -18.304 -0.708 -6.705 1.00 33.44 C ATOM 1635 OD1 ASP B 11 -19.385 -0.630 -6.089 1.00 24.02 O ATOM 1636 OD2 ASP B 11 -18.061 -1.649 -7.473 1.00 24.21 O ATOM 0 H ASP B 11 -15.268 1.860 -5.963 1.00 71.23 H new ATOM 0 HA ASP B 11 -17.190 0.287 -4.388 1.00 54.43 H new ATOM 0 HB2 ASP B 11 -17.769 1.357 -6.577 1.00 74.20 H new ATOM 0 HB3 ASP B 11 -16.569 0.350 -7.364 1.00 74.20 H new ATOM 1641 N PHE B 12 -16.176 -2.113 -5.261 1.00 41.42 N ATOM 1642 CA PHE B 12 -15.430 -3.336 -5.173 1.00 72.32 C ATOM 1643 C PHE B 12 -15.177 -3.907 -6.556 1.00 24.02 C ATOM 1644 O PHE B 12 -16.042 -3.835 -7.437 1.00 25.04 O ATOM 1645 CB PHE B 12 -16.127 -4.356 -4.246 1.00 1.33 C ATOM 1646 CG PHE B 12 -17.531 -4.723 -4.643 1.00 74.22 C ATOM 1647 CD1 PHE B 12 -18.606 -3.953 -4.228 1.00 22.40 C ATOM 1648 CD2 PHE B 12 -17.777 -5.840 -5.421 1.00 33.33 C ATOM 1649 CE1 PHE B 12 -19.891 -4.287 -4.585 1.00 21.33 C ATOM 1650 CE2 PHE B 12 -19.060 -6.181 -5.781 1.00 0.43 C ATOM 1651 CZ PHE B 12 -20.119 -5.402 -5.363 1.00 65.33 C ATOM 0 H PHE B 12 -17.171 -2.233 -5.449 1.00 41.42 H new ATOM 0 HA PHE B 12 -14.462 -3.114 -4.725 1.00 72.32 H new ATOM 0 HB2 PHE B 12 -15.526 -5.265 -4.214 1.00 1.33 H new ATOM 0 HB3 PHE B 12 -16.146 -3.950 -3.234 1.00 1.33 H new ATOM 0 HD1 PHE B 12 -18.432 -3.080 -3.617 1.00 22.40 H new ATOM 0 HD2 PHE B 12 -16.951 -6.453 -5.750 1.00 33.33 H new ATOM 0 HE1 PHE B 12 -20.720 -3.677 -4.257 1.00 21.33 H new ATOM 0 HE2 PHE B 12 -19.238 -7.056 -6.389 1.00 0.43 H new ATOM 0 HZ PHE B 12 -21.127 -5.666 -5.645 1.00 65.33 H new ATOM 1661 N ASP B 13 -13.997 -4.432 -6.758 1.00 61.25 N ATOM 1662 CA ASP B 13 -13.630 -5.029 -8.032 1.00 64.02 C ATOM 1663 C ASP B 13 -12.775 -6.262 -7.776 1.00 73.43 C ATOM 1664 O ASP B 13 -11.820 -6.212 -6.998 1.00 32.21 O ATOM 1665 CB ASP B 13 -12.881 -3.994 -8.916 1.00 3.22 C ATOM 1666 CG ASP B 13 -12.530 -4.503 -10.311 1.00 3.34 C ATOM 1667 OD1 ASP B 13 -11.345 -4.538 -10.669 1.00 2.01 O ATOM 1668 OD2 ASP B 13 -13.457 -4.868 -11.072 1.00 63.40 O ATOM 0 H ASP B 13 -13.261 -4.462 -6.053 1.00 61.25 H new ATOM 0 HA ASP B 13 -14.528 -5.332 -8.571 1.00 64.02 H new ATOM 0 HB2 ASP B 13 -13.498 -3.100 -9.012 1.00 3.22 H new ATOM 0 HB3 ASP B 13 -11.964 -3.695 -8.409 1.00 3.22 H new ATOM 1673 N ASP B 14 -13.143 -7.372 -8.371 1.00 52.00 N ATOM 1674 CA ASP B 14 -12.390 -8.611 -8.198 1.00 14.43 C ATOM 1675 C ASP B 14 -11.436 -8.771 -9.339 1.00 55.20 C ATOM 1676 O ASP B 14 -11.826 -8.634 -10.504 1.00 3.03 O ATOM 1677 CB ASP B 14 -13.317 -9.817 -8.114 1.00 55.14 C ATOM 1678 CG ASP B 14 -12.570 -11.123 -7.965 1.00 64.21 C ATOM 1679 OD1 ASP B 14 -12.046 -11.396 -6.869 1.00 64.55 O ATOM 1680 OD2 ASP B 14 -12.524 -11.911 -8.936 1.00 3.32 O ATOM 0 H ASP B 14 -13.957 -7.452 -8.980 1.00 52.00 H new ATOM 0 HA ASP B 14 -11.838 -8.554 -7.260 1.00 14.43 H new ATOM 0 HB2 ASP B 14 -13.992 -9.692 -7.268 1.00 55.14 H new ATOM 0 HB3 ASP B 14 -13.935 -9.858 -9.011 1.00 55.14 H new ATOM 1685 N ASN B 15 -10.191 -9.051 -9.039 1.00 45.24 N ATOM 1686 CA ASN B 15 -9.201 -9.117 -10.083 1.00 25.23 C ATOM 1687 C ASN B 15 -8.694 -10.492 -10.313 1.00 53.42 C ATOM 1688 O ASN B 15 -8.610 -11.313 -9.386 1.00 51.14 O ATOM 1689 CB ASN B 15 -8.036 -8.144 -9.855 1.00 1.13 C ATOM 1690 CG ASN B 15 -8.483 -6.702 -9.807 1.00 53.35 C ATOM 1691 OD1 ASN B 15 -7.843 -5.859 -9.198 1.00 3.01 O ATOM 1692 ND2 ASN B 15 -9.574 -6.410 -10.441 1.00 54.44 N ATOM 0 H ASN B 15 -9.844 -9.234 -8.097 1.00 45.24 H new ATOM 0 HA ASN B 15 -9.722 -8.806 -10.988 1.00 25.23 H new ATOM 0 HB2 ASN B 15 -7.535 -8.396 -8.921 1.00 1.13 H new ATOM 0 HB3 ASN B 15 -7.304 -8.267 -10.653 1.00 1.13 H new ATOM 0 HD21 ASN B 15 -9.923 -5.451 -10.441 1.00 54.44 H new ATOM 0 HD22 ASN B 15 -10.085 -7.139 -10.940 1.00 54.44 H new ATOM 1699 N ARG B 16 -8.370 -10.745 -11.555 1.00 72.22 N ATOM 1700 CA ARG B 16 -7.794 -11.987 -11.992 1.00 72.25 C ATOM 1701 C ARG B 16 -6.399 -12.129 -11.361 1.00 23.20 C ATOM 1702 O ARG B 16 -5.760 -11.122 -11.019 1.00 32.02 O ATOM 1703 CB ARG B 16 -7.704 -11.965 -13.525 1.00 21.30 C ATOM 1704 CG ARG B 16 -7.111 -13.198 -14.157 1.00 11.02 C ATOM 1705 CD ARG B 16 -6.961 -13.017 -15.642 1.00 60.52 C ATOM 1706 NE ARG B 16 -6.365 -14.182 -16.268 1.00 61.23 N ATOM 1707 CZ ARG B 16 -5.582 -14.158 -17.348 1.00 32.50 C ATOM 1708 NH1 ARG B 16 -5.241 -12.998 -17.913 1.00 42.41 N ATOM 1709 NH2 ARG B 16 -5.126 -15.292 -17.842 1.00 14.32 N ATOM 0 H ARG B 16 -8.504 -10.073 -12.310 1.00 72.22 H new ATOM 0 HA ARG B 16 -8.404 -12.836 -11.685 1.00 72.25 H new ATOM 0 HB2 ARG B 16 -8.706 -11.817 -13.928 1.00 21.30 H new ATOM 0 HB3 ARG B 16 -7.109 -11.102 -13.824 1.00 21.30 H new ATOM 0 HG2 ARG B 16 -6.139 -13.409 -13.712 1.00 11.02 H new ATOM 0 HG3 ARG B 16 -7.748 -14.059 -13.953 1.00 11.02 H new ATOM 0 HD2 ARG B 16 -7.938 -12.826 -16.086 1.00 60.52 H new ATOM 0 HD3 ARG B 16 -6.343 -12.141 -15.841 1.00 60.52 H new ATOM 0 HE ARG B 16 -6.560 -15.091 -15.849 1.00 61.23 H new ATOM 0 HH11 ARG B 16 -5.579 -12.120 -17.519 1.00 42.41 H new ATOM 0 HH12 ARG B 16 -4.642 -12.989 -18.738 1.00 42.41 H new ATOM 0 HH21 ARG B 16 -5.372 -16.177 -17.399 1.00 14.32 H new ATOM 0 HH22 ARG B 16 -4.527 -15.284 -18.667 1.00 14.32 H new ATOM 1723 N LYS B 17 -5.939 -13.343 -11.187 1.00 10.02 N ATOM 1724 CA LYS B 17 -4.656 -13.558 -10.570 1.00 61.40 C ATOM 1725 C LYS B 17 -3.547 -13.013 -11.513 1.00 32.11 C ATOM 1726 O LYS B 17 -3.528 -13.327 -12.714 1.00 63.43 O ATOM 1727 CB LYS B 17 -4.472 -15.058 -10.242 1.00 25.44 C ATOM 1728 CG LYS B 17 -3.316 -15.379 -9.298 1.00 61.42 C ATOM 1729 CD LYS B 17 -3.516 -14.734 -7.927 1.00 63.04 C ATOM 1730 CE LYS B 17 -2.331 -14.988 -7.006 1.00 0.13 C ATOM 1731 NZ LYS B 17 -2.541 -14.405 -5.659 1.00 10.24 N ATOM 0 H LYS B 17 -6.431 -14.193 -11.463 1.00 10.02 H new ATOM 0 HA LYS B 17 -4.589 -13.019 -9.625 1.00 61.40 H new ATOM 0 HB2 LYS B 17 -5.395 -15.433 -9.801 1.00 25.44 H new ATOM 0 HB3 LYS B 17 -4.320 -15.602 -11.175 1.00 25.44 H new ATOM 0 HG2 LYS B 17 -3.228 -16.459 -9.183 1.00 61.42 H new ATOM 0 HG3 LYS B 17 -2.381 -15.027 -9.734 1.00 61.42 H new ATOM 0 HD2 LYS B 17 -3.659 -13.660 -8.048 1.00 63.04 H new ATOM 0 HD3 LYS B 17 -4.424 -15.127 -7.469 1.00 63.04 H new ATOM 0 HE2 LYS B 17 -2.166 -16.062 -6.915 1.00 0.13 H new ATOM 0 HE3 LYS B 17 -1.430 -14.563 -7.449 1.00 0.13 H new ATOM 0 HZ1 LYS B 17 -1.711 -14.600 -5.063 1.00 10.24 H new ATOM 0 HZ2 LYS B 17 -2.673 -13.377 -5.742 1.00 10.24 H new ATOM 0 HZ3 LYS B 17 -3.386 -14.828 -5.225 1.00 10.24 H new ATOM 1745 N LYS B 18 -2.661 -12.178 -10.952 1.00 64.21 N ATOM 1746 CA LYS B 18 -1.574 -11.453 -11.680 1.00 54.12 C ATOM 1747 C LYS B 18 -2.085 -10.286 -12.520 1.00 63.32 C ATOM 1748 O LYS B 18 -1.302 -9.646 -13.215 1.00 51.04 O ATOM 1749 CB LYS B 18 -0.636 -12.329 -12.558 1.00 20.10 C ATOM 1750 CG LYS B 18 0.333 -13.268 -11.832 1.00 10.01 C ATOM 1751 CD LYS B 18 -0.338 -14.461 -11.196 1.00 23.55 C ATOM 1752 CE LYS B 18 -1.016 -15.361 -12.241 1.00 14.01 C ATOM 1753 NZ LYS B 18 -0.069 -15.837 -13.278 1.00 21.44 N ATOM 0 H LYS B 18 -2.669 -11.973 -9.953 1.00 64.21 H new ATOM 0 HA LYS B 18 -0.970 -11.080 -10.853 1.00 54.12 H new ATOM 0 HB2 LYS B 18 -1.259 -12.932 -13.219 1.00 20.10 H new ATOM 0 HB3 LYS B 18 -0.050 -11.664 -13.192 1.00 20.10 H new ATOM 0 HG2 LYS B 18 1.083 -13.619 -12.540 1.00 10.01 H new ATOM 0 HG3 LYS B 18 0.861 -12.706 -11.062 1.00 10.01 H new ATOM 0 HD2 LYS B 18 0.401 -15.040 -10.642 1.00 23.55 H new ATOM 0 HD3 LYS B 18 -1.080 -14.119 -10.475 1.00 23.55 H new ATOM 0 HE2 LYS B 18 -1.464 -16.220 -11.741 1.00 14.01 H new ATOM 0 HE3 LYS B 18 -1.827 -14.811 -12.719 1.00 14.01 H new ATOM 0 HZ1 LYS B 18 -0.522 -16.581 -13.846 1.00 21.44 H new ATOM 0 HZ2 LYS B 18 0.197 -15.044 -13.895 1.00 21.44 H new ATOM 0 HZ3 LYS B 18 0.782 -16.221 -12.821 1.00 21.44 H new ATOM 1767 N ALA B 19 -3.361 -9.969 -12.428 1.00 43.34 N ATOM 1768 CA ALA B 19 -3.918 -8.889 -13.242 1.00 25.31 C ATOM 1769 C ALA B 19 -3.386 -7.549 -12.819 1.00 41.31 C ATOM 1770 O ALA B 19 -3.051 -6.713 -13.651 1.00 3.13 O ATOM 1771 CB ALA B 19 -5.399 -8.870 -13.163 1.00 0.55 C ATOM 0 H ALA B 19 -4.029 -10.431 -11.810 1.00 43.34 H new ATOM 0 HA ALA B 19 -3.614 -9.081 -14.271 1.00 25.31 H new ATOM 0 HB1 ALA B 19 -5.786 -8.057 -13.778 1.00 0.55 H new ATOM 0 HB2 ALA B 19 -5.795 -9.819 -13.525 1.00 0.55 H new ATOM 0 HB3 ALA B 19 -5.706 -8.720 -12.128 1.00 0.55 H new ATOM 1777 N ILE B 20 -3.301 -7.344 -11.528 1.00 51.43 N ATOM 1778 CA ILE B 20 -2.794 -6.102 -10.984 1.00 75.32 C ATOM 1779 C ILE B 20 -1.316 -5.994 -11.309 1.00 52.33 C ATOM 1780 O ILE B 20 -0.808 -4.919 -11.636 1.00 25.34 O ATOM 1781 CB ILE B 20 -3.015 -6.039 -9.454 1.00 53.40 C ATOM 1782 CG1 ILE B 20 -4.514 -6.153 -9.150 1.00 44.34 C ATOM 1783 CG2 ILE B 20 -2.442 -4.749 -8.869 1.00 4.54 C ATOM 1784 CD1 ILE B 20 -4.853 -6.167 -7.680 1.00 55.05 C ATOM 0 H ILE B 20 -3.579 -8.028 -10.825 1.00 51.43 H new ATOM 0 HA ILE B 20 -3.333 -5.266 -11.431 1.00 75.32 H new ATOM 0 HB ILE B 20 -2.490 -6.873 -8.988 1.00 53.40 H new ATOM 0 HG12 ILE B 20 -5.032 -5.318 -9.622 1.00 44.34 H new ATOM 0 HG13 ILE B 20 -4.897 -7.065 -9.607 1.00 44.34 H new ATOM 0 HG21 ILE B 20 -2.611 -4.731 -7.792 1.00 4.54 H new ATOM 0 HG22 ILE B 20 -1.371 -4.703 -9.069 1.00 4.54 H new ATOM 0 HG23 ILE B 20 -2.934 -3.891 -9.328 1.00 4.54 H new ATOM 0 HD11 ILE B 20 -5.933 -6.250 -7.556 1.00 55.05 H new ATOM 0 HD12 ILE B 20 -4.367 -7.018 -7.203 1.00 55.05 H new ATOM 0 HD13 ILE B 20 -4.505 -5.243 -7.217 1.00 55.05 H new ATOM 1796 N SER B 21 -0.662 -7.128 -11.292 1.00 72.51 N ATOM 1797 CA SER B 21 0.750 -7.211 -11.587 1.00 24.12 C ATOM 1798 C SER B 21 0.993 -6.872 -13.062 1.00 22.32 C ATOM 1799 O SER B 21 1.971 -6.203 -13.420 1.00 73.43 O ATOM 1800 CB SER B 21 1.239 -8.617 -11.259 1.00 34.41 C ATOM 1801 OG SER B 21 0.951 -8.928 -9.897 1.00 63.22 O ATOM 0 H SER B 21 -1.094 -8.025 -11.072 1.00 72.51 H new ATOM 0 HA SER B 21 1.305 -6.494 -10.982 1.00 24.12 H new ATOM 0 HB2 SER B 21 0.757 -9.341 -11.916 1.00 34.41 H new ATOM 0 HB3 SER B 21 2.312 -8.689 -11.438 1.00 34.41 H new ATOM 0 HG SER B 21 0.888 -8.099 -9.378 1.00 63.22 H new ATOM 1807 N GLU B 22 0.082 -7.321 -13.893 1.00 21.23 N ATOM 1808 CA GLU B 22 0.104 -7.078 -15.316 1.00 71.15 C ATOM 1809 C GLU B 22 -0.187 -5.596 -15.580 1.00 71.05 C ATOM 1810 O GLU B 22 0.540 -4.920 -16.324 1.00 55.20 O ATOM 1811 CB GLU B 22 -0.982 -7.947 -15.957 1.00 74.22 C ATOM 1812 CG GLU B 22 -1.009 -7.938 -17.463 1.00 65.13 C ATOM 1813 CD GLU B 22 0.271 -8.482 -18.047 1.00 62.30 C ATOM 1814 OE1 GLU B 22 0.462 -9.724 -18.030 1.00 63.00 O ATOM 1815 OE2 GLU B 22 1.107 -7.686 -18.531 1.00 13.44 O ATOM 0 H GLU B 22 -0.716 -7.880 -13.590 1.00 21.23 H new ATOM 0 HA GLU B 22 1.079 -7.324 -15.737 1.00 71.15 H new ATOM 0 HB2 GLU B 22 -0.848 -8.975 -15.619 1.00 74.22 H new ATOM 0 HB3 GLU B 22 -1.953 -7.614 -15.591 1.00 74.22 H new ATOM 0 HG2 GLU B 22 -1.852 -8.533 -17.815 1.00 65.13 H new ATOM 0 HG3 GLU B 22 -1.167 -6.920 -17.818 1.00 65.13 H new ATOM 1822 N THR B 23 -1.232 -5.102 -14.935 1.00 74.24 N ATOM 1823 CA THR B 23 -1.684 -3.737 -15.091 1.00 62.05 C ATOM 1824 C THR B 23 -0.609 -2.731 -14.674 1.00 14.42 C ATOM 1825 O THR B 23 -0.247 -1.865 -15.454 1.00 55.53 O ATOM 1826 CB THR B 23 -2.976 -3.492 -14.269 1.00 0.23 C ATOM 1827 OG1 THR B 23 -3.973 -4.445 -14.662 1.00 44.32 O ATOM 1828 CG2 THR B 23 -3.519 -2.084 -14.498 1.00 70.23 C ATOM 0 H THR B 23 -1.794 -5.648 -14.282 1.00 74.24 H new ATOM 0 HA THR B 23 -1.896 -3.588 -16.150 1.00 62.05 H new ATOM 0 HB THR B 23 -2.735 -3.603 -13.212 1.00 0.23 H new ATOM 0 HG1 THR B 23 -3.731 -5.331 -14.320 1.00 44.32 H new ATOM 0 HG21 THR B 23 -4.425 -1.943 -13.908 1.00 70.23 H new ATOM 0 HG22 THR B 23 -2.771 -1.352 -14.195 1.00 70.23 H new ATOM 0 HG23 THR B 23 -3.750 -1.950 -15.555 1.00 70.23 H new ATOM 1836 N LEU B 24 -0.071 -2.881 -13.467 1.00 74.23 N ATOM 1837 CA LEU B 24 0.907 -1.926 -12.951 1.00 31.41 C ATOM 1838 C LEU B 24 2.181 -1.912 -13.771 1.00 73.03 C ATOM 1839 O LEU B 24 2.777 -0.859 -13.973 1.00 42.43 O ATOM 1840 CB LEU B 24 1.210 -2.171 -11.479 1.00 23.31 C ATOM 1841 CG LEU B 24 0.028 -2.048 -10.521 1.00 40.12 C ATOM 1842 CD1 LEU B 24 0.483 -2.320 -9.106 1.00 51.44 C ATOM 1843 CD2 LEU B 24 -0.610 -0.667 -10.623 1.00 33.12 C ATOM 0 H LEU B 24 -0.293 -3.648 -12.832 1.00 74.23 H new ATOM 0 HA LEU B 24 0.453 -0.939 -13.040 1.00 31.41 H new ATOM 0 HB2 LEU B 24 1.632 -3.171 -11.377 1.00 23.31 H new ATOM 0 HB3 LEU B 24 1.981 -1.467 -11.165 1.00 23.31 H new ATOM 0 HG LEU B 24 -0.724 -2.787 -10.798 1.00 40.12 H new ATOM 0 HD11 LEU B 24 -0.365 -2.231 -8.427 1.00 51.44 H new ATOM 0 HD12 LEU B 24 0.893 -3.328 -9.043 1.00 51.44 H new ATOM 0 HD13 LEU B 24 1.250 -1.598 -8.825 1.00 51.44 H new ATOM 0 HD21 LEU B 24 -1.450 -0.602 -9.931 1.00 33.12 H new ATOM 0 HD22 LEU B 24 0.128 0.094 -10.370 1.00 33.12 H new ATOM 0 HD23 LEU B 24 -0.965 -0.504 -11.641 1.00 33.12 H new ATOM 1855 N GLU B 25 2.583 -3.081 -14.265 1.00 24.24 N ATOM 1856 CA GLU B 25 3.755 -3.182 -15.111 1.00 61.50 C ATOM 1857 C GLU B 25 3.513 -2.358 -16.390 1.00 74.10 C ATOM 1858 O GLU B 25 4.384 -1.616 -16.851 1.00 30.32 O ATOM 1859 CB GLU B 25 4.000 -4.645 -15.480 1.00 55.11 C ATOM 1860 CG GLU B 25 5.253 -4.881 -16.304 1.00 64.41 C ATOM 1861 CD GLU B 25 5.411 -6.321 -16.699 1.00 20.14 C ATOM 1862 OE1 GLU B 25 5.030 -6.681 -17.823 1.00 41.23 O ATOM 1863 OE2 GLU B 25 5.897 -7.129 -15.876 1.00 2.20 O ATOM 0 H GLU B 25 2.110 -3.968 -14.090 1.00 24.24 H new ATOM 0 HA GLU B 25 4.628 -2.800 -14.582 1.00 61.50 H new ATOM 0 HB2 GLU B 25 4.066 -5.232 -14.564 1.00 55.11 H new ATOM 0 HB3 GLU B 25 3.139 -5.016 -16.036 1.00 55.11 H new ATOM 0 HG2 GLU B 25 5.218 -4.262 -17.201 1.00 64.41 H new ATOM 0 HG3 GLU B 25 6.126 -4.565 -15.733 1.00 64.41 H new ATOM 1870 N THR B 26 2.296 -2.470 -16.914 1.00 10.14 N ATOM 1871 CA THR B 26 1.891 -1.771 -18.110 1.00 4.23 C ATOM 1872 C THR B 26 1.800 -0.248 -17.849 1.00 54.23 C ATOM 1873 O THR B 26 2.272 0.561 -18.657 1.00 43.40 O ATOM 1874 CB THR B 26 0.523 -2.303 -18.608 1.00 30.32 C ATOM 1875 OG1 THR B 26 0.594 -3.734 -18.817 1.00 51.54 O ATOM 1876 CG2 THR B 26 0.129 -1.634 -19.909 1.00 43.41 C ATOM 0 H THR B 26 1.564 -3.055 -16.511 1.00 10.14 H new ATOM 0 HA THR B 26 2.643 -1.949 -18.879 1.00 4.23 H new ATOM 0 HB THR B 26 -0.225 -2.076 -17.848 1.00 30.32 H new ATOM 0 HG1 THR B 26 0.563 -4.193 -17.952 1.00 51.54 H new ATOM 0 HG21 THR B 26 -0.834 -2.022 -20.241 1.00 43.41 H new ATOM 0 HG22 THR B 26 0.053 -0.557 -19.756 1.00 43.41 H new ATOM 0 HG23 THR B 26 0.884 -1.841 -20.668 1.00 43.41 H new ATOM 1884 N VAL B 27 1.209 0.122 -16.710 1.00 13.54 N ATOM 1885 CA VAL B 27 1.056 1.524 -16.328 1.00 35.21 C ATOM 1886 C VAL B 27 2.422 2.184 -16.150 1.00 52.43 C ATOM 1887 O VAL B 27 2.618 3.333 -16.534 1.00 14.15 O ATOM 1888 CB VAL B 27 0.205 1.694 -15.024 1.00 24.35 C ATOM 1889 CG1 VAL B 27 0.073 3.159 -14.645 1.00 44.45 C ATOM 1890 CG2 VAL B 27 -1.180 1.090 -15.197 1.00 43.54 C ATOM 0 H VAL B 27 0.826 -0.538 -16.033 1.00 13.54 H new ATOM 0 HA VAL B 27 0.519 2.018 -17.138 1.00 35.21 H new ATOM 0 HB VAL B 27 0.726 1.168 -14.224 1.00 24.35 H new ATOM 0 HG11 VAL B 27 -0.522 3.248 -13.736 1.00 44.45 H new ATOM 0 HG12 VAL B 27 1.063 3.581 -14.473 1.00 44.45 H new ATOM 0 HG13 VAL B 27 -0.417 3.701 -15.454 1.00 44.45 H new ATOM 0 HG21 VAL B 27 -1.751 1.221 -14.278 1.00 43.54 H new ATOM 0 HG22 VAL B 27 -1.695 1.589 -16.018 1.00 43.54 H new ATOM 0 HG23 VAL B 27 -1.088 0.027 -15.419 1.00 43.54 H new ATOM 1900 N TYR B 28 3.367 1.435 -15.598 1.00 51.32 N ATOM 1901 CA TYR B 28 4.715 1.937 -15.395 1.00 41.21 C ATOM 1902 C TYR B 28 5.334 2.318 -16.743 1.00 71.23 C ATOM 1903 O TYR B 28 5.896 3.409 -16.904 1.00 41.33 O ATOM 1904 CB TYR B 28 5.587 0.885 -14.676 1.00 33.21 C ATOM 1905 CG TYR B 28 6.984 1.376 -14.359 1.00 22.34 C ATOM 1906 CD1 TYR B 28 8.016 1.199 -15.254 1.00 4.50 C ATOM 1907 CD2 TYR B 28 7.259 2.036 -13.171 1.00 11.04 C ATOM 1908 CE1 TYR B 28 9.280 1.669 -14.982 1.00 71.25 C ATOM 1909 CE2 TYR B 28 8.527 2.504 -12.892 1.00 14.14 C ATOM 1910 CZ TYR B 28 9.532 2.317 -13.808 1.00 10.43 C ATOM 1911 OH TYR B 28 10.795 2.799 -13.551 1.00 43.20 O ATOM 0 H TYR B 28 3.222 0.476 -15.283 1.00 51.32 H new ATOM 0 HA TYR B 28 4.668 2.824 -14.763 1.00 41.21 H new ATOM 0 HB2 TYR B 28 5.095 0.588 -13.750 1.00 33.21 H new ATOM 0 HB3 TYR B 28 5.656 -0.006 -15.300 1.00 33.21 H new ATOM 0 HD1 TYR B 28 7.830 0.683 -16.184 1.00 4.50 H new ATOM 0 HD2 TYR B 28 6.467 2.186 -12.452 1.00 11.04 H new ATOM 0 HE1 TYR B 28 10.074 1.525 -15.699 1.00 71.25 H new ATOM 0 HE2 TYR B 28 8.727 3.013 -11.961 1.00 14.14 H new ATOM 0 HH TYR B 28 10.784 3.778 -13.583 1.00 43.20 H new ATOM 1921 N ARG B 29 5.186 1.421 -17.708 1.00 65.14 N ATOM 1922 CA ARG B 29 5.696 1.622 -19.063 1.00 23.31 C ATOM 1923 C ARG B 29 5.078 2.847 -19.719 1.00 13.43 C ATOM 1924 O ARG B 29 5.750 3.569 -20.458 1.00 33.12 O ATOM 1925 CB ARG B 29 5.425 0.384 -19.913 1.00 55.34 C ATOM 1926 CG ARG B 29 6.215 -0.847 -19.503 1.00 1.01 C ATOM 1927 CD ARG B 29 7.697 -0.628 -19.730 1.00 62.54 C ATOM 1928 NE ARG B 29 7.985 -0.365 -21.153 1.00 53.21 N ATOM 1929 CZ ARG B 29 8.898 0.503 -21.608 1.00 23.35 C ATOM 1930 NH1 ARG B 29 9.553 1.272 -20.772 1.00 71.11 N ATOM 1931 NH2 ARG B 29 9.124 0.619 -22.910 1.00 23.22 N ATOM 0 H ARG B 29 4.708 0.530 -17.576 1.00 65.14 H new ATOM 0 HA ARG B 29 6.771 1.787 -18.992 1.00 23.31 H new ATOM 0 HB2 ARG B 29 4.361 0.151 -19.864 1.00 55.34 H new ATOM 0 HB3 ARG B 29 5.652 0.616 -20.953 1.00 55.34 H new ATOM 0 HG2 ARG B 29 6.031 -1.070 -18.452 1.00 1.01 H new ATOM 0 HG3 ARG B 29 5.877 -1.710 -20.076 1.00 1.01 H new ATOM 0 HD2 ARG B 29 8.040 0.212 -19.125 1.00 62.54 H new ATOM 0 HD3 ARG B 29 8.252 -1.506 -19.400 1.00 62.54 H new ATOM 0 HE ARG B 29 7.446 -0.885 -21.845 1.00 53.21 H new ATOM 0 HH11 ARG B 29 9.368 1.211 -19.771 1.00 71.11 H new ATOM 0 HH12 ARG B 29 10.247 1.932 -21.123 1.00 71.11 H new ATOM 0 HH21 ARG B 29 8.601 0.045 -23.572 1.00 23.22 H new ATOM 0 HH22 ARG B 29 9.821 1.282 -23.250 1.00 23.22 H new ATOM 1945 N ALA B 30 3.812 3.088 -19.420 1.00 12.44 N ATOM 1946 CA ALA B 30 3.081 4.209 -19.989 1.00 24.44 C ATOM 1947 C ALA B 30 3.739 5.540 -19.644 1.00 44.23 C ATOM 1948 O ALA B 30 3.901 6.397 -20.510 1.00 13.10 O ATOM 1949 CB ALA B 30 1.626 4.193 -19.536 1.00 20.23 C ATOM 0 H ALA B 30 3.264 2.515 -18.779 1.00 12.44 H new ATOM 0 HA ALA B 30 3.105 4.100 -21.073 1.00 24.44 H new ATOM 0 HB1 ALA B 30 1.099 5.041 -19.974 1.00 20.23 H new ATOM 0 HB2 ALA B 30 1.154 3.266 -19.860 1.00 20.23 H new ATOM 0 HB3 ALA B 30 1.583 4.261 -18.449 1.00 20.23 H new ATOM 1955 N LEU B 31 4.138 5.705 -18.393 1.00 1.51 N ATOM 1956 CA LEU B 31 4.784 6.943 -17.987 1.00 72.45 C ATOM 1957 C LEU B 31 6.199 7.061 -18.516 1.00 32.35 C ATOM 1958 O LEU B 31 6.668 8.167 -18.753 1.00 21.14 O ATOM 1959 CB LEU B 31 4.743 7.212 -16.473 1.00 65.11 C ATOM 1960 CG LEU B 31 3.383 7.564 -15.835 1.00 54.13 C ATOM 1961 CD1 LEU B 31 2.724 8.735 -16.521 1.00 22.55 C ATOM 1962 CD2 LEU B 31 2.458 6.374 -15.735 1.00 71.11 C ATOM 0 H LEU B 31 4.029 5.011 -17.653 1.00 1.51 H new ATOM 0 HA LEU B 31 4.181 7.723 -18.451 1.00 72.45 H new ATOM 0 HB2 LEU B 31 5.130 6.328 -15.966 1.00 65.11 H new ATOM 0 HB3 LEU B 31 5.433 8.029 -16.260 1.00 65.11 H new ATOM 0 HG LEU B 31 3.597 7.870 -14.811 1.00 54.13 H new ATOM 0 HD11 LEU B 31 1.770 8.948 -16.040 1.00 22.55 H new ATOM 0 HD12 LEU B 31 3.370 9.610 -16.449 1.00 22.55 H new ATOM 0 HD13 LEU B 31 2.555 8.494 -17.571 1.00 22.55 H new ATOM 0 HD21 LEU B 31 1.517 6.682 -15.279 1.00 71.11 H new ATOM 0 HD22 LEU B 31 2.265 5.978 -16.732 1.00 71.11 H new ATOM 0 HD23 LEU B 31 2.923 5.602 -15.122 1.00 71.11 H new ATOM 1974 N GLU B 32 6.881 5.938 -18.712 1.00 60.30 N ATOM 1975 CA GLU B 32 8.241 5.977 -19.251 1.00 53.03 C ATOM 1976 C GLU B 32 8.231 6.482 -20.673 1.00 21.24 C ATOM 1977 O GLU B 32 9.046 7.323 -21.052 1.00 31.22 O ATOM 1978 CB GLU B 32 8.918 4.621 -19.220 1.00 64.34 C ATOM 1979 CG GLU B 32 9.069 4.022 -17.855 1.00 23.34 C ATOM 1980 CD GLU B 32 9.898 2.779 -17.902 1.00 73.21 C ATOM 1981 OE1 GLU B 32 9.361 1.699 -18.194 1.00 53.54 O ATOM 1982 OE2 GLU B 32 11.124 2.867 -17.666 1.00 72.21 O ATOM 0 H GLU B 32 6.525 5.003 -18.511 1.00 60.30 H new ATOM 0 HA GLU B 32 8.806 6.655 -18.611 1.00 53.03 H new ATOM 0 HB2 GLU B 32 8.347 3.932 -19.842 1.00 64.34 H new ATOM 0 HB3 GLU B 32 9.906 4.714 -19.671 1.00 64.34 H new ATOM 0 HG2 GLU B 32 9.532 4.747 -17.186 1.00 23.34 H new ATOM 0 HG3 GLU B 32 8.086 3.792 -17.445 1.00 23.34 H new ATOM 1989 N GLU B 33 7.290 5.984 -21.453 1.00 73.22 N ATOM 1990 CA GLU B 33 7.154 6.381 -22.839 1.00 71.53 C ATOM 1991 C GLU B 33 6.692 7.832 -22.945 1.00 60.44 C ATOM 1992 O GLU B 33 6.914 8.497 -23.944 1.00 32.54 O ATOM 1993 CB GLU B 33 6.206 5.446 -23.583 1.00 23.32 C ATOM 1994 CG GLU B 33 6.663 3.995 -23.610 1.00 51.05 C ATOM 1995 CD GLU B 33 5.753 3.110 -24.427 1.00 41.33 C ATOM 1996 OE1 GLU B 33 5.870 3.109 -25.671 1.00 24.12 O ATOM 1997 OE2 GLU B 33 4.924 2.375 -23.852 1.00 1.00 O ATOM 0 H GLU B 33 6.602 5.297 -21.144 1.00 73.22 H new ATOM 0 HA GLU B 33 8.134 6.306 -23.311 1.00 71.53 H new ATOM 0 HB2 GLU B 33 5.222 5.498 -23.118 1.00 23.32 H new ATOM 0 HB3 GLU B 33 6.093 5.800 -24.608 1.00 23.32 H new ATOM 0 HG2 GLU B 33 7.673 3.944 -24.017 1.00 51.05 H new ATOM 0 HG3 GLU B 33 6.711 3.615 -22.590 1.00 51.05 H new ATOM 2004 N LYS B 34 6.043 8.306 -21.908 1.00 64.32 N ATOM 2005 CA LYS B 34 5.572 9.680 -21.857 1.00 25.43 C ATOM 2006 C LYS B 34 6.584 10.628 -21.217 1.00 75.21 C ATOM 2007 O LYS B 34 6.398 11.844 -21.234 1.00 12.34 O ATOM 2008 CB LYS B 34 4.215 9.754 -21.168 1.00 21.23 C ATOM 2009 CG LYS B 34 3.099 9.132 -21.990 1.00 41.31 C ATOM 2010 CD LYS B 34 2.809 9.954 -23.246 1.00 61.20 C ATOM 2011 CE LYS B 34 2.154 11.274 -22.897 1.00 21.23 C ATOM 2012 NZ LYS B 34 1.934 12.125 -24.078 1.00 74.05 N ATOM 0 H LYS B 34 5.825 7.757 -21.076 1.00 64.32 H new ATOM 0 HA LYS B 34 5.454 10.020 -22.886 1.00 25.43 H new ATOM 0 HB2 LYS B 34 4.275 9.248 -20.204 1.00 21.23 H new ATOM 0 HB3 LYS B 34 3.972 10.797 -20.966 1.00 21.23 H new ATOM 0 HG2 LYS B 34 3.376 8.117 -22.273 1.00 41.31 H new ATOM 0 HG3 LYS B 34 2.196 9.059 -21.384 1.00 41.31 H new ATOM 0 HD2 LYS B 34 3.738 10.137 -23.786 1.00 61.20 H new ATOM 0 HD3 LYS B 34 2.159 9.387 -23.913 1.00 61.20 H new ATOM 0 HE2 LYS B 34 1.199 11.084 -22.408 1.00 21.23 H new ATOM 0 HE3 LYS B 34 2.779 11.807 -22.180 1.00 21.23 H new ATOM 0 HZ1 LYS B 34 1.484 13.016 -23.785 1.00 74.05 H new ATOM 0 HZ2 LYS B 34 2.847 12.331 -24.532 1.00 74.05 H new ATOM 0 HZ3 LYS B 34 1.316 11.630 -24.752 1.00 74.05 H new ATOM 2026 N GLY B 35 7.643 10.075 -20.664 1.00 12.13 N ATOM 2027 CA GLY B 35 8.694 10.896 -20.092 1.00 12.44 C ATOM 2028 C GLY B 35 8.352 11.450 -18.727 1.00 23.40 C ATOM 2029 O GLY B 35 8.659 12.604 -18.428 1.00 62.43 O ATOM 0 H GLY B 35 7.800 9.069 -20.598 1.00 12.13 H new ATOM 0 HA2 GLY B 35 9.606 10.304 -20.017 1.00 12.44 H new ATOM 0 HA3 GLY B 35 8.906 11.724 -20.769 1.00 12.44 H new ATOM 2033 N TYR B 36 7.700 10.661 -17.915 1.00 64.05 N ATOM 2034 CA TYR B 36 7.379 11.074 -16.564 1.00 15.43 C ATOM 2035 C TYR B 36 7.926 10.067 -15.593 1.00 63.13 C ATOM 2036 O TYR B 36 8.417 8.999 -15.999 1.00 11.25 O ATOM 2037 CB TYR B 36 5.860 11.178 -16.337 1.00 43.31 C ATOM 2038 CG TYR B 36 5.137 12.145 -17.229 1.00 51.43 C ATOM 2039 CD1 TYR B 36 4.281 11.690 -18.217 1.00 74.24 C ATOM 2040 CD2 TYR B 36 5.311 13.510 -17.090 1.00 71.21 C ATOM 2041 CE1 TYR B 36 3.616 12.572 -19.044 1.00 52.21 C ATOM 2042 CE2 TYR B 36 4.650 14.397 -17.909 1.00 60.30 C ATOM 2043 CZ TYR B 36 3.804 13.923 -18.884 1.00 64.31 C ATOM 2044 OH TYR B 36 3.149 14.812 -19.715 1.00 20.33 O ATOM 0 H TYR B 36 7.378 9.725 -18.161 1.00 64.05 H new ATOM 0 HA TYR B 36 7.823 12.057 -16.410 1.00 15.43 H new ATOM 0 HB2 TYR B 36 5.422 10.189 -16.472 1.00 43.31 H new ATOM 0 HB3 TYR B 36 5.684 11.466 -15.301 1.00 43.31 H new ATOM 0 HD1 TYR B 36 4.131 10.628 -18.343 1.00 74.24 H new ATOM 0 HD2 TYR B 36 5.976 13.886 -16.327 1.00 71.21 H new ATOM 0 HE1 TYR B 36 2.952 12.202 -19.812 1.00 52.21 H new ATOM 0 HE2 TYR B 36 4.795 15.460 -17.786 1.00 60.30 H new ATOM 0 HH TYR B 36 3.390 15.729 -19.468 1.00 20.33 H new ATOM 2054 N ASN B 37 7.859 10.394 -14.326 1.00 13.40 N ATOM 2055 CA ASN B 37 8.206 9.462 -13.282 1.00 53.30 C ATOM 2056 C ASN B 37 6.977 8.626 -12.988 1.00 51.13 C ATOM 2057 O ASN B 37 5.994 9.139 -12.436 1.00 52.20 O ATOM 2058 CB ASN B 37 8.625 10.184 -12.009 1.00 0.43 C ATOM 2059 CG ASN B 37 9.043 9.217 -10.921 1.00 74.24 C ATOM 2060 OD1 ASN B 37 8.215 8.744 -10.147 1.00 41.52 O ATOM 2061 ND2 ASN B 37 10.313 8.934 -10.839 1.00 51.22 N ATOM 0 H ASN B 37 7.563 11.311 -13.990 1.00 13.40 H new ATOM 0 HA ASN B 37 9.044 8.848 -13.612 1.00 53.30 H new ATOM 0 HB2 ASN B 37 9.451 10.860 -12.230 1.00 0.43 H new ATOM 0 HB3 ASN B 37 7.798 10.798 -11.651 1.00 0.43 H new ATOM 0 HD21 ASN B 37 10.648 8.300 -10.114 1.00 51.22 H new ATOM 0 HD22 ASN B 37 10.971 9.346 -11.500 1.00 51.22 H new ATOM 2068 N PRO B 38 6.986 7.344 -13.354 1.00 74.22 N ATOM 2069 CA PRO B 38 5.817 6.485 -13.214 1.00 63.53 C ATOM 2070 C PRO B 38 5.355 6.321 -11.777 1.00 53.24 C ATOM 2071 O PRO B 38 4.166 6.369 -11.506 1.00 13.14 O ATOM 2072 CB PRO B 38 6.272 5.148 -13.793 1.00 31.23 C ATOM 2073 CG PRO B 38 7.471 5.471 -14.617 1.00 60.31 C ATOM 2074 CD PRO B 38 8.130 6.618 -13.934 1.00 32.35 C ATOM 0 HA PRO B 38 4.954 6.913 -13.725 1.00 63.53 H new ATOM 0 HB2 PRO B 38 6.516 4.438 -13.002 1.00 31.23 H new ATOM 0 HB3 PRO B 38 5.488 4.693 -14.399 1.00 31.23 H new ATOM 0 HG2 PRO B 38 8.143 4.615 -14.683 1.00 60.31 H new ATOM 0 HG3 PRO B 38 7.187 5.733 -15.636 1.00 60.31 H new ATOM 0 HD2 PRO B 38 8.831 6.286 -13.168 1.00 32.35 H new ATOM 0 HD3 PRO B 38 8.692 7.238 -14.633 1.00 32.35 H new ATOM 2082 N ILE B 39 6.296 6.185 -10.861 1.00 41.24 N ATOM 2083 CA ILE B 39 5.972 5.950 -9.459 1.00 60.50 C ATOM 2084 C ILE B 39 5.188 7.113 -8.868 1.00 63.35 C ATOM 2085 O ILE B 39 4.146 6.908 -8.248 1.00 22.25 O ATOM 2086 CB ILE B 39 7.240 5.619 -8.615 1.00 64.44 C ATOM 2087 CG1 ILE B 39 7.900 4.351 -9.171 1.00 51.41 C ATOM 2088 CG2 ILE B 39 6.900 5.446 -7.132 1.00 63.15 C ATOM 2089 CD1 ILE B 39 7.005 3.129 -9.178 1.00 15.41 C ATOM 0 H ILE B 39 7.295 6.233 -11.060 1.00 41.24 H new ATOM 0 HA ILE B 39 5.330 5.070 -9.420 1.00 60.50 H new ATOM 0 HB ILE B 39 7.936 6.455 -8.689 1.00 64.44 H new ATOM 0 HG12 ILE B 39 8.234 4.547 -10.190 1.00 51.41 H new ATOM 0 HG13 ILE B 39 8.790 4.131 -8.581 1.00 51.41 H new ATOM 0 HG21 ILE B 39 7.808 5.216 -6.575 1.00 63.15 H new ATOM 0 HG22 ILE B 39 6.463 6.368 -6.749 1.00 63.15 H new ATOM 0 HG23 ILE B 39 6.186 4.630 -7.015 1.00 63.15 H new ATOM 0 HD11 ILE B 39 7.552 2.280 -9.587 1.00 15.41 H new ATOM 0 HD12 ILE B 39 6.691 2.902 -8.159 1.00 15.41 H new ATOM 0 HD13 ILE B 39 6.127 3.325 -9.793 1.00 15.41 H new ATOM 2101 N ASN B 40 5.659 8.324 -9.110 1.00 71.14 N ATOM 2102 CA ASN B 40 4.976 9.521 -8.625 1.00 61.23 C ATOM 2103 C ASN B 40 3.621 9.726 -9.269 1.00 22.00 C ATOM 2104 O ASN B 40 2.693 10.227 -8.626 1.00 21.32 O ATOM 2105 CB ASN B 40 5.836 10.784 -8.725 1.00 11.41 C ATOM 2106 CG ASN B 40 6.899 10.855 -7.640 1.00 43.11 C ATOM 2107 OD1 ASN B 40 6.656 11.398 -6.558 1.00 23.53 O ATOM 2108 ND2 ASN B 40 8.056 10.308 -7.897 1.00 61.21 N ATOM 0 H ASN B 40 6.511 8.509 -9.639 1.00 71.14 H new ATOM 0 HA ASN B 40 4.803 9.339 -7.564 1.00 61.23 H new ATOM 0 HB2 ASN B 40 6.317 10.815 -9.703 1.00 11.41 H new ATOM 0 HB3 ASN B 40 5.194 11.662 -8.658 1.00 11.41 H new ATOM 0 HD21 ASN B 40 8.794 10.321 -7.193 1.00 61.21 H new ATOM 0 HD22 ASN B 40 8.222 9.868 -8.802 1.00 61.21 H new ATOM 2115 N GLN B 41 3.482 9.332 -10.520 1.00 61.23 N ATOM 2116 CA GLN B 41 2.208 9.453 -11.184 1.00 22.43 C ATOM 2117 C GLN B 41 1.212 8.443 -10.646 1.00 3.04 C ATOM 2118 O GLN B 41 0.056 8.772 -10.432 1.00 44.32 O ATOM 2119 CB GLN B 41 2.363 9.339 -12.699 1.00 34.44 C ATOM 2120 CG GLN B 41 3.191 10.471 -13.294 1.00 75.21 C ATOM 2121 CD GLN B 41 2.547 11.839 -13.097 1.00 65.34 C ATOM 2122 OE1 GLN B 41 1.233 11.893 -13.134 1.00 23.52 O flip ATOM 2123 NE2 GLN B 41 3.239 12.847 -12.956 1.00 35.30 N flip ATOM 0 H GLN B 41 4.228 8.931 -11.088 1.00 61.23 H new ATOM 0 HA GLN B 41 1.812 10.446 -10.971 1.00 22.43 H new ATOM 0 HB2 GLN B 41 2.832 8.385 -12.941 1.00 34.44 H new ATOM 0 HB3 GLN B 41 1.376 9.335 -13.161 1.00 34.44 H new ATOM 0 HG2 GLN B 41 4.180 10.471 -12.837 1.00 75.21 H new ATOM 0 HG3 GLN B 41 3.332 10.291 -14.360 1.00 75.21 H new ATOM 0 HE21 GLN B 41 4.256 12.768 -12.932 1.00 35.30 H new ATOM 0 HE22 GLN B 41 2.796 13.761 -12.863 1.00 35.30 H new ATOM 2132 N ILE B 42 1.676 7.228 -10.395 1.00 42.51 N ATOM 2133 CA ILE B 42 0.817 6.175 -9.882 1.00 5.42 C ATOM 2134 C ILE B 42 0.366 6.463 -8.432 1.00 1.12 C ATOM 2135 O ILE B 42 -0.823 6.378 -8.131 1.00 63.32 O ATOM 2136 CB ILE B 42 1.481 4.767 -9.990 1.00 32.51 C ATOM 2137 CG1 ILE B 42 1.802 4.443 -11.461 1.00 35.42 C ATOM 2138 CG2 ILE B 42 0.565 3.695 -9.410 1.00 45.42 C ATOM 2139 CD1 ILE B 42 2.510 3.114 -11.668 1.00 33.44 C ATOM 0 H ILE B 42 2.646 6.948 -10.539 1.00 42.51 H new ATOM 0 HA ILE B 42 -0.071 6.164 -10.514 1.00 5.42 H new ATOM 0 HB ILE B 42 2.408 4.780 -9.417 1.00 32.51 H new ATOM 0 HG12 ILE B 42 0.873 4.439 -12.031 1.00 35.42 H new ATOM 0 HG13 ILE B 42 2.423 5.240 -11.869 1.00 35.42 H new ATOM 0 HG21 ILE B 42 1.046 2.721 -9.495 1.00 45.42 H new ATOM 0 HG22 ILE B 42 0.369 3.913 -8.360 1.00 45.42 H new ATOM 0 HG23 ILE B 42 -0.376 3.684 -9.960 1.00 45.42 H new ATOM 0 HD11 ILE B 42 2.699 2.964 -12.731 1.00 33.44 H new ATOM 0 HD12 ILE B 42 3.457 3.118 -11.129 1.00 33.44 H new ATOM 0 HD13 ILE B 42 1.883 2.305 -11.293 1.00 33.44 H new ATOM 2151 N VAL B 43 1.311 6.830 -7.551 1.00 51.00 N ATOM 2152 CA VAL B 43 0.969 7.139 -6.142 1.00 60.24 C ATOM 2153 C VAL B 43 -0.070 8.264 -6.041 1.00 2.42 C ATOM 2154 O VAL B 43 -1.078 8.131 -5.332 1.00 60.04 O ATOM 2155 CB VAL B 43 2.236 7.453 -5.245 1.00 71.35 C ATOM 2156 CG1 VAL B 43 3.088 8.545 -5.846 1.00 3.55 C ATOM 2157 CG2 VAL B 43 1.821 7.877 -3.845 1.00 33.23 C ATOM 0 H VAL B 43 2.301 6.921 -7.778 1.00 51.00 H new ATOM 0 HA VAL B 43 0.524 6.229 -5.741 1.00 60.24 H new ATOM 0 HB VAL B 43 2.818 6.533 -5.195 1.00 71.35 H new ATOM 0 HG11 VAL B 43 3.947 8.732 -5.202 1.00 3.55 H new ATOM 0 HG12 VAL B 43 3.434 8.235 -6.832 1.00 3.55 H new ATOM 0 HG13 VAL B 43 2.499 9.457 -5.938 1.00 3.55 H new ATOM 0 HG21 VAL B 43 2.710 8.087 -3.250 1.00 33.23 H new ATOM 0 HG22 VAL B 43 1.204 8.774 -3.904 1.00 33.23 H new ATOM 0 HG23 VAL B 43 1.251 7.075 -3.376 1.00 33.23 H new ATOM 2167 N GLY B 44 0.147 9.321 -6.796 1.00 3.43 N ATOM 2168 CA GLY B 44 -0.747 10.463 -6.759 1.00 64.22 C ATOM 2169 C GLY B 44 -2.092 10.110 -7.319 1.00 52.30 C ATOM 2170 O GLY B 44 -3.135 10.544 -6.806 1.00 45.40 O ATOM 0 H GLY B 44 0.932 9.415 -7.441 1.00 3.43 H new ATOM 0 HA2 GLY B 44 -0.857 10.811 -5.732 1.00 64.22 H new ATOM 0 HA3 GLY B 44 -0.316 11.286 -7.330 1.00 64.22 H new ATOM 2174 N TYR B 45 -2.063 9.303 -8.363 1.00 53.42 N ATOM 2175 CA TYR B 45 -3.250 8.815 -9.015 1.00 41.14 C ATOM 2176 C TYR B 45 -4.117 8.048 -8.022 1.00 13.32 C ATOM 2177 O TYR B 45 -5.297 8.348 -7.843 1.00 4.33 O ATOM 2178 CB TYR B 45 -2.842 7.881 -10.178 1.00 72.25 C ATOM 2179 CG TYR B 45 -3.992 7.274 -10.932 1.00 12.32 C ATOM 2180 CD1 TYR B 45 -4.675 6.200 -10.421 1.00 42.44 C ATOM 2181 CD2 TYR B 45 -4.395 7.783 -12.136 1.00 3.13 C ATOM 2182 CE1 TYR B 45 -5.724 5.652 -11.078 1.00 61.11 C ATOM 2183 CE2 TYR B 45 -5.462 7.244 -12.811 1.00 12.51 C ATOM 2184 CZ TYR B 45 -6.125 6.178 -12.278 1.00 52.20 C ATOM 2185 OH TYR B 45 -7.219 5.648 -12.933 1.00 41.11 O ATOM 0 H TYR B 45 -1.197 8.966 -8.784 1.00 53.42 H new ATOM 0 HA TYR B 45 -3.821 9.659 -9.402 1.00 41.14 H new ATOM 0 HB2 TYR B 45 -2.224 8.444 -10.877 1.00 72.25 H new ATOM 0 HB3 TYR B 45 -2.222 7.078 -9.780 1.00 72.25 H new ATOM 0 HD1 TYR B 45 -4.369 5.782 -9.473 1.00 42.44 H new ATOM 0 HD2 TYR B 45 -3.865 8.622 -12.562 1.00 3.13 H new ATOM 0 HE1 TYR B 45 -6.243 4.803 -10.658 1.00 61.11 H new ATOM 0 HE2 TYR B 45 -5.774 7.661 -13.757 1.00 12.51 H new ATOM 0 HH TYR B 45 -7.441 4.775 -12.546 1.00 41.11 H new ATOM 2195 N LEU B 46 -3.509 7.069 -7.384 1.00 2.53 N ATOM 2196 CA LEU B 46 -4.194 6.155 -6.486 1.00 43.13 C ATOM 2197 C LEU B 46 -4.768 6.844 -5.260 1.00 11.43 C ATOM 2198 O LEU B 46 -5.896 6.563 -4.877 1.00 15.43 O ATOM 2199 CB LEU B 46 -3.251 5.026 -6.081 1.00 12.40 C ATOM 2200 CG LEU B 46 -2.745 4.143 -7.227 1.00 5.34 C ATOM 2201 CD1 LEU B 46 -1.681 3.201 -6.730 1.00 45.44 C ATOM 2202 CD2 LEU B 46 -3.889 3.358 -7.855 1.00 2.15 C ATOM 0 H LEU B 46 -2.511 6.881 -7.474 1.00 2.53 H new ATOM 0 HA LEU B 46 -5.045 5.745 -7.030 1.00 43.13 H new ATOM 0 HB2 LEU B 46 -2.390 5.460 -5.573 1.00 12.40 H new ATOM 0 HB3 LEU B 46 -3.762 4.392 -5.356 1.00 12.40 H new ATOM 0 HG LEU B 46 -2.315 4.791 -7.991 1.00 5.34 H new ATOM 0 HD11 LEU B 46 -1.331 2.580 -7.555 1.00 45.44 H new ATOM 0 HD12 LEU B 46 -0.846 3.775 -6.328 1.00 45.44 H new ATOM 0 HD13 LEU B 46 -2.095 2.565 -5.947 1.00 45.44 H new ATOM 0 HD21 LEU B 46 -3.504 2.739 -8.666 1.00 2.15 H new ATOM 0 HD22 LEU B 46 -4.351 2.721 -7.100 1.00 2.15 H new ATOM 0 HD23 LEU B 46 -4.632 4.051 -8.249 1.00 2.15 H new ATOM 2214 N LEU B 47 -4.010 7.771 -4.679 1.00 23.23 N ATOM 2215 CA LEU B 47 -4.425 8.474 -3.449 1.00 42.21 C ATOM 2216 C LEU B 47 -5.759 9.217 -3.587 1.00 1.11 C ATOM 2217 O LEU B 47 -6.454 9.442 -2.590 1.00 4.22 O ATOM 2218 CB LEU B 47 -3.335 9.441 -2.959 1.00 34.32 C ATOM 2219 CG LEU B 47 -2.012 8.814 -2.503 1.00 42.55 C ATOM 2220 CD1 LEU B 47 -1.032 9.895 -2.089 1.00 24.51 C ATOM 2221 CD2 LEU B 47 -2.242 7.842 -1.351 1.00 62.03 C ATOM 0 H LEU B 47 -3.099 8.060 -5.036 1.00 23.23 H new ATOM 0 HA LEU B 47 -4.573 7.690 -2.706 1.00 42.21 H new ATOM 0 HB2 LEU B 47 -3.119 10.145 -3.762 1.00 34.32 H new ATOM 0 HB3 LEU B 47 -3.741 10.019 -2.129 1.00 34.32 H new ATOM 0 HG LEU B 47 -1.591 8.259 -3.341 1.00 42.55 H new ATOM 0 HD11 LEU B 47 -0.097 9.435 -1.768 1.00 24.51 H new ATOM 0 HD12 LEU B 47 -0.840 10.555 -2.935 1.00 24.51 H new ATOM 0 HD13 LEU B 47 -1.454 10.473 -1.266 1.00 24.51 H new ATOM 0 HD21 LEU B 47 -1.290 7.409 -1.044 1.00 62.03 H new ATOM 0 HD22 LEU B 47 -2.687 8.374 -0.510 1.00 62.03 H new ATOM 0 HD23 LEU B 47 -2.914 7.047 -1.674 1.00 62.03 H new ATOM 2233 N SER B 48 -6.121 9.593 -4.796 1.00 12.51 N ATOM 2234 CA SER B 48 -7.354 10.320 -4.984 1.00 23.11 C ATOM 2235 C SER B 48 -8.259 9.649 -6.021 1.00 23.50 C ATOM 2236 O SER B 48 -9.390 10.086 -6.235 1.00 13.00 O ATOM 2237 CB SER B 48 -7.044 11.772 -5.378 1.00 14.03 C ATOM 2238 OG SER B 48 -8.215 12.571 -5.436 1.00 42.14 O ATOM 0 H SER B 48 -5.589 9.411 -5.647 1.00 12.51 H new ATOM 0 HA SER B 48 -7.900 10.316 -4.041 1.00 23.11 H new ATOM 0 HB2 SER B 48 -6.348 12.202 -4.658 1.00 14.03 H new ATOM 0 HB3 SER B 48 -6.548 11.786 -6.348 1.00 14.03 H new ATOM 0 HG SER B 48 -8.971 12.022 -5.732 1.00 42.14 H new ATOM 2244 N GLY B 49 -7.778 8.574 -6.642 1.00 45.42 N ATOM 2245 CA GLY B 49 -8.520 7.959 -7.704 1.00 23.40 C ATOM 2246 C GLY B 49 -8.745 8.917 -8.853 1.00 44.43 C ATOM 2247 O GLY B 49 -9.829 8.970 -9.417 1.00 55.23 O ATOM 0 H GLY B 49 -6.888 8.127 -6.421 1.00 45.42 H new ATOM 0 HA2 GLY B 49 -7.984 7.080 -8.062 1.00 23.40 H new ATOM 0 HA3 GLY B 49 -9.481 7.613 -7.324 1.00 23.40 H new ATOM 2251 N ASP B 50 -7.718 9.662 -9.201 1.00 35.14 N ATOM 2252 CA ASP B 50 -7.837 10.688 -10.235 1.00 31.45 C ATOM 2253 C ASP B 50 -7.396 10.121 -11.555 1.00 15.42 C ATOM 2254 O ASP B 50 -6.217 9.937 -11.758 1.00 42.22 O ATOM 2255 CB ASP B 50 -6.947 11.870 -9.913 1.00 43.54 C ATOM 2256 CG ASP B 50 -7.271 13.064 -10.778 1.00 24.11 C ATOM 2257 OD1 ASP B 50 -8.052 13.927 -10.324 1.00 14.03 O ATOM 2258 OD2 ASP B 50 -6.778 13.158 -11.917 1.00 21.15 O ATOM 0 H ASP B 50 -6.789 9.583 -8.788 1.00 35.14 H new ATOM 0 HA ASP B 50 -8.877 11.011 -10.280 1.00 31.45 H new ATOM 0 HB2 ASP B 50 -7.064 12.139 -8.863 1.00 43.54 H new ATOM 0 HB3 ASP B 50 -5.903 11.589 -10.056 1.00 43.54 H new ATOM 2263 N PRO B 51 -8.326 9.846 -12.485 1.00 52.04 N ATOM 2264 CA PRO B 51 -8.003 9.175 -13.741 1.00 72.10 C ATOM 2265 C PRO B 51 -7.074 9.965 -14.668 1.00 52.22 C ATOM 2266 O PRO B 51 -6.364 9.374 -15.487 1.00 64.32 O ATOM 2267 CB PRO B 51 -9.352 8.909 -14.400 1.00 45.34 C ATOM 2268 CG PRO B 51 -10.291 9.891 -13.780 1.00 71.51 C ATOM 2269 CD PRO B 51 -9.765 10.185 -12.395 1.00 24.11 C ATOM 0 HA PRO B 51 -7.436 8.266 -13.540 1.00 72.10 H new ATOM 0 HB2 PRO B 51 -9.296 9.045 -15.480 1.00 45.34 H new ATOM 0 HB3 PRO B 51 -9.681 7.885 -14.224 1.00 45.34 H new ATOM 0 HG2 PRO B 51 -10.344 10.803 -14.375 1.00 71.51 H new ATOM 0 HG3 PRO B 51 -11.300 9.483 -13.731 1.00 71.51 H new ATOM 0 HD2 PRO B 51 -9.914 11.230 -12.124 1.00 24.11 H new ATOM 0 HD3 PRO B 51 -10.271 9.585 -11.639 1.00 24.11 H new ATOM 2277 N ALA B 52 -7.062 11.278 -14.522 1.00 62.41 N ATOM 2278 CA ALA B 52 -6.292 12.141 -15.400 1.00 73.12 C ATOM 2279 C ALA B 52 -4.799 12.094 -15.100 1.00 44.31 C ATOM 2280 O ALA B 52 -3.993 12.576 -15.893 1.00 33.24 O ATOM 2281 CB ALA B 52 -6.801 13.562 -15.320 1.00 2.10 C ATOM 0 H ALA B 52 -7.582 11.773 -13.797 1.00 62.41 H new ATOM 0 HA ALA B 52 -6.426 11.767 -16.415 1.00 73.12 H new ATOM 0 HB1 ALA B 52 -6.214 14.197 -15.984 1.00 2.10 H new ATOM 0 HB2 ALA B 52 -7.848 13.591 -15.622 1.00 2.10 H new ATOM 0 HB3 ALA B 52 -6.709 13.924 -14.296 1.00 2.10 H new ATOM 2287 N TYR B 53 -4.425 11.525 -13.960 1.00 71.51 N ATOM 2288 CA TYR B 53 -3.015 11.417 -13.612 1.00 42.12 C ATOM 2289 C TYR B 53 -2.248 10.472 -14.533 1.00 1.30 C ATOM 2290 O TYR B 53 -1.024 10.600 -14.673 1.00 64.32 O ATOM 2291 CB TYR B 53 -2.781 11.116 -12.125 1.00 72.00 C ATOM 2292 CG TYR B 53 -2.986 12.309 -11.208 1.00 63.11 C ATOM 2293 CD1 TYR B 53 -3.616 13.465 -11.649 1.00 2.13 C ATOM 2294 CD2 TYR B 53 -2.531 12.281 -9.905 1.00 1.51 C ATOM 2295 CE1 TYR B 53 -3.786 14.546 -10.821 1.00 41.11 C ATOM 2296 CE2 TYR B 53 -2.700 13.358 -9.064 1.00 11.41 C ATOM 2297 CZ TYR B 53 -3.327 14.489 -9.526 1.00 3.55 C ATOM 2298 OH TYR B 53 -3.494 15.572 -8.691 1.00 41.03 O ATOM 0 H TYR B 53 -5.068 11.137 -13.270 1.00 71.51 H new ATOM 0 HA TYR B 53 -2.596 12.409 -13.781 1.00 42.12 H new ATOM 0 HB2 TYR B 53 -3.454 10.316 -11.818 1.00 72.00 H new ATOM 0 HB3 TYR B 53 -1.764 10.744 -11.997 1.00 72.00 H new ATOM 0 HD1 TYR B 53 -3.980 13.514 -12.665 1.00 2.13 H new ATOM 0 HD2 TYR B 53 -2.032 11.396 -9.538 1.00 1.51 H new ATOM 0 HE1 TYR B 53 -4.277 15.436 -11.184 1.00 41.11 H new ATOM 0 HE2 TYR B 53 -2.341 13.314 -8.046 1.00 11.41 H new ATOM 0 HH TYR B 53 -3.115 15.368 -7.811 1.00 41.03 H new ATOM 2308 N ILE B 54 -2.946 9.531 -15.156 1.00 30.10 N ATOM 2309 CA ILE B 54 -2.323 8.694 -16.164 1.00 64.13 C ATOM 2310 C ILE B 54 -2.741 9.243 -17.521 1.00 61.53 C ATOM 2311 O ILE B 54 -3.935 9.323 -17.808 1.00 34.04 O ATOM 2312 CB ILE B 54 -2.738 7.180 -16.072 1.00 15.14 C ATOM 2313 CG1 ILE B 54 -2.470 6.617 -14.662 1.00 60.44 C ATOM 2314 CG2 ILE B 54 -1.994 6.349 -17.123 1.00 33.14 C ATOM 2315 CD1 ILE B 54 -1.026 6.716 -14.202 1.00 61.33 C ATOM 0 H ILE B 54 -3.931 9.332 -14.982 1.00 30.10 H new ATOM 0 HA ILE B 54 -1.244 8.722 -16.010 1.00 64.13 H new ATOM 0 HB ILE B 54 -3.808 7.116 -16.269 1.00 15.14 H new ATOM 0 HG12 ILE B 54 -3.101 7.146 -13.948 1.00 60.44 H new ATOM 0 HG13 ILE B 54 -2.773 5.570 -14.640 1.00 60.44 H new ATOM 0 HG21 ILE B 54 -2.296 5.305 -17.042 1.00 33.14 H new ATOM 0 HG22 ILE B 54 -2.236 6.720 -18.119 1.00 33.14 H new ATOM 0 HG23 ILE B 54 -0.920 6.430 -16.957 1.00 33.14 H new ATOM 0 HD11 ILE B 54 -0.934 6.296 -13.201 1.00 61.33 H new ATOM 0 HD12 ILE B 54 -0.387 6.161 -14.889 1.00 61.33 H new ATOM 0 HD13 ILE B 54 -0.720 7.762 -14.186 1.00 61.33 H new ATOM 2327 N PRO B 55 -1.785 9.660 -18.355 1.00 60.15 N ATOM 2328 CA PRO B 55 -2.092 10.222 -19.671 1.00 51.53 C ATOM 2329 C PRO B 55 -2.604 9.143 -20.626 1.00 42.54 C ATOM 2330 O PRO B 55 -2.113 7.997 -20.618 1.00 1.14 O ATOM 2331 CB PRO B 55 -0.745 10.773 -20.151 1.00 54.31 C ATOM 2332 CG PRO B 55 0.279 9.974 -19.416 1.00 55.41 C ATOM 2333 CD PRO B 55 -0.335 9.605 -18.095 1.00 50.52 C ATOM 0 HA PRO B 55 -2.875 10.980 -19.631 1.00 51.53 H new ATOM 0 HB2 PRO B 55 -0.634 10.661 -21.230 1.00 54.31 H new ATOM 0 HB3 PRO B 55 -0.651 11.836 -19.929 1.00 54.31 H new ATOM 0 HG2 PRO B 55 0.553 9.082 -19.979 1.00 55.41 H new ATOM 0 HG3 PRO B 55 1.192 10.552 -19.272 1.00 55.41 H new ATOM 0 HD2 PRO B 55 -0.024 8.611 -17.772 1.00 50.52 H new ATOM 0 HD3 PRO B 55 -0.043 10.301 -17.309 1.00 50.52 H new ATOM 2341 N ARG B 56 -3.567 9.489 -21.451 1.00 11.24 N ATOM 2342 CA ARG B 56 -4.153 8.521 -22.365 1.00 14.23 C ATOM 2343 C ARG B 56 -3.321 8.300 -23.629 1.00 62.11 C ATOM 2344 O ARG B 56 -3.674 8.708 -24.742 1.00 41.44 O ATOM 2345 CB ARG B 56 -5.648 8.765 -22.622 1.00 11.33 C ATOM 2346 CG ARG B 56 -6.004 10.171 -23.066 1.00 51.54 C ATOM 2347 CD ARG B 56 -7.507 10.334 -23.168 1.00 23.15 C ATOM 2348 NE ARG B 56 -8.096 9.458 -24.181 1.00 30.12 N ATOM 2349 CZ ARG B 56 -9.332 8.952 -24.125 1.00 51.33 C ATOM 2350 NH1 ARG B 56 -10.118 9.200 -23.076 1.00 54.30 N ATOM 2351 NH2 ARG B 56 -9.778 8.206 -25.122 1.00 42.42 N ATOM 0 H ARG B 56 -3.963 10.427 -21.512 1.00 11.24 H new ATOM 0 HA ARG B 56 -4.116 7.561 -21.849 1.00 14.23 H new ATOM 0 HB2 ARG B 56 -5.989 8.063 -23.383 1.00 11.33 H new ATOM 0 HB3 ARG B 56 -6.199 8.538 -21.709 1.00 11.33 H new ATOM 0 HG2 ARG B 56 -5.602 10.895 -22.357 1.00 51.54 H new ATOM 0 HG3 ARG B 56 -5.544 10.381 -24.032 1.00 51.54 H new ATOM 0 HD2 ARG B 56 -7.959 10.120 -22.200 1.00 23.15 H new ATOM 0 HD3 ARG B 56 -7.742 11.371 -23.408 1.00 23.15 H new ATOM 0 HE ARG B 56 -7.522 9.216 -24.989 1.00 30.12 H new ATOM 0 HH11 ARG B 56 -9.777 9.780 -22.309 1.00 54.30 H new ATOM 0 HH12 ARG B 56 -11.060 8.810 -23.041 1.00 54.30 H new ATOM 0 HH21 ARG B 56 -9.180 8.020 -25.927 1.00 42.42 H new ATOM 0 HH22 ARG B 56 -10.720 7.817 -25.086 1.00 42.42 H new ATOM 2365 N TYR B 57 -2.172 7.723 -23.396 1.00 30.33 N ATOM 2366 CA TYR B 57 -1.213 7.354 -24.408 1.00 51.23 C ATOM 2367 C TYR B 57 -1.260 5.861 -24.677 1.00 23.41 C ATOM 2368 O TYR B 57 -1.034 5.409 -25.797 1.00 12.13 O ATOM 2369 CB TYR B 57 0.172 7.748 -23.903 1.00 25.20 C ATOM 2370 CG TYR B 57 1.349 7.182 -24.677 1.00 41.44 C ATOM 2371 CD1 TYR B 57 1.835 7.799 -25.817 1.00 42.54 C ATOM 2372 CD2 TYR B 57 1.977 6.025 -24.238 1.00 51.42 C ATOM 2373 CE1 TYR B 57 2.917 7.276 -26.496 1.00 2.34 C ATOM 2374 CE2 TYR B 57 3.048 5.501 -24.900 1.00 53.33 C ATOM 2375 CZ TYR B 57 3.524 6.123 -26.028 1.00 34.13 C ATOM 2376 OH TYR B 57 4.611 5.598 -26.690 1.00 42.12 O ATOM 0 H TYR B 57 -1.863 7.486 -22.453 1.00 30.33 H new ATOM 0 HA TYR B 57 -1.444 7.867 -25.342 1.00 51.23 H new ATOM 0 HB2 TYR B 57 0.245 8.836 -23.914 1.00 25.20 H new ATOM 0 HB3 TYR B 57 0.261 7.433 -22.863 1.00 25.20 H new ATOM 0 HD1 TYR B 57 1.362 8.700 -26.179 1.00 42.54 H new ATOM 0 HD2 TYR B 57 1.609 5.528 -23.352 1.00 51.42 H new ATOM 0 HE1 TYR B 57 3.287 7.763 -27.386 1.00 2.34 H new ATOM 0 HE2 TYR B 57 3.520 4.600 -24.538 1.00 53.33 H new ATOM 0 HH TYR B 57 4.906 4.780 -26.238 1.00 42.12 H new ATOM 2386 N GLN B 58 -1.550 5.104 -23.657 1.00 41.33 N ATOM 2387 CA GLN B 58 -1.539 3.683 -23.774 1.00 1.40 C ATOM 2388 C GLN B 58 -2.789 3.174 -23.118 1.00 14.23 C ATOM 2389 O GLN B 58 -3.385 3.883 -22.286 1.00 52.11 O ATOM 2390 CB GLN B 58 -0.281 3.113 -23.076 1.00 25.30 C ATOM 2391 CG GLN B 58 0.034 1.658 -23.400 1.00 63.21 C ATOM 2392 CD GLN B 58 1.349 1.174 -22.785 1.00 23.22 C ATOM 2393 OE1 GLN B 58 2.315 2.057 -22.673 1.00 3.44 O flip ATOM 2394 NE2 GLN B 58 1.500 -0.002 -22.449 1.00 41.11 N flip ATOM 0 H GLN B 58 -1.798 5.455 -22.732 1.00 41.33 H new ATOM 0 HA GLN B 58 -1.509 3.372 -24.818 1.00 1.40 H new ATOM 0 HB2 GLN B 58 0.578 3.725 -23.353 1.00 25.30 H new ATOM 0 HB3 GLN B 58 -0.407 3.210 -21.998 1.00 25.30 H new ATOM 0 HG2 GLN B 58 -0.780 1.028 -23.042 1.00 63.21 H new ATOM 0 HG3 GLN B 58 0.080 1.535 -24.482 1.00 63.21 H new ATOM 0 HE21 GLN B 58 0.730 -0.664 -22.548 1.00 41.11 H new ATOM 0 HE22 GLN B 58 2.395 -0.314 -22.071 1.00 41.11 H new ATOM 2403 N ASP B 59 -3.174 1.957 -23.451 1.00 64.12 N ATOM 2404 CA ASP B 59 -4.385 1.320 -22.924 1.00 72.42 C ATOM 2405 C ASP B 59 -4.367 1.212 -21.405 1.00 23.42 C ATOM 2406 O ASP B 59 -5.395 0.994 -20.793 1.00 20.20 O ATOM 2407 CB ASP B 59 -4.632 -0.052 -23.591 1.00 20.42 C ATOM 2408 CG ASP B 59 -3.468 -1.018 -23.456 1.00 15.41 C ATOM 2409 OD1 ASP B 59 -3.545 -1.946 -22.640 1.00 63.01 O ATOM 2410 OD2 ASP B 59 -2.456 -0.844 -24.187 1.00 14.13 O ATOM 0 H ASP B 59 -2.654 1.368 -24.102 1.00 64.12 H new ATOM 0 HA ASP B 59 -5.223 1.968 -23.179 1.00 72.42 H new ATOM 0 HB2 ASP B 59 -5.521 -0.505 -23.151 1.00 20.42 H new ATOM 0 HB3 ASP B 59 -4.843 0.102 -24.649 1.00 20.42 H new ATOM 2415 N ALA B 60 -3.187 1.422 -20.819 1.00 74.32 N ATOM 2416 CA ALA B 60 -2.978 1.438 -19.374 1.00 73.11 C ATOM 2417 C ALA B 60 -3.943 2.393 -18.668 1.00 42.51 C ATOM 2418 O ALA B 60 -4.447 2.087 -17.591 1.00 61.24 O ATOM 2419 CB ALA B 60 -1.545 1.826 -19.067 1.00 45.30 C ATOM 0 H ALA B 60 -2.332 1.589 -21.350 1.00 74.32 H new ATOM 0 HA ALA B 60 -3.176 0.434 -18.998 1.00 73.11 H new ATOM 0 HB1 ALA B 60 -1.394 1.837 -17.988 1.00 45.30 H new ATOM 0 HB2 ALA B 60 -0.867 1.103 -19.521 1.00 45.30 H new ATOM 0 HB3 ALA B 60 -1.342 2.818 -19.471 1.00 45.30 H new ATOM 2425 N ARG B 61 -4.205 3.534 -19.291 1.00 24.12 N ATOM 2426 CA ARG B 61 -5.111 4.534 -18.754 1.00 53.22 C ATOM 2427 C ARG B 61 -6.537 3.939 -18.646 1.00 54.24 C ATOM 2428 O ARG B 61 -7.257 4.192 -17.680 1.00 2.32 O ATOM 2429 CB ARG B 61 -5.040 5.797 -19.663 1.00 71.14 C ATOM 2430 CG ARG B 61 -5.755 7.073 -19.177 1.00 32.21 C ATOM 2431 CD ARG B 61 -7.266 6.998 -19.249 1.00 14.32 C ATOM 2432 NE ARG B 61 -7.891 8.259 -18.835 1.00 22.03 N ATOM 2433 CZ ARG B 61 -9.193 8.537 -18.947 1.00 12.43 C ATOM 2434 NH1 ARG B 61 -10.017 7.664 -19.520 1.00 5.23 N ATOM 2435 NH2 ARG B 61 -9.664 9.701 -18.521 1.00 52.31 N ATOM 0 H ARG B 61 -3.792 3.791 -20.187 1.00 24.12 H new ATOM 0 HA ARG B 61 -4.824 4.833 -17.746 1.00 53.22 H new ATOM 0 HB2 ARG B 61 -3.989 6.040 -19.817 1.00 71.14 H new ATOM 0 HB3 ARG B 61 -5.452 5.532 -20.637 1.00 71.14 H new ATOM 0 HG2 ARG B 61 -5.460 7.272 -18.147 1.00 32.21 H new ATOM 0 HG3 ARG B 61 -5.415 7.918 -19.775 1.00 32.21 H new ATOM 0 HD2 ARG B 61 -7.571 6.758 -20.268 1.00 14.32 H new ATOM 0 HD3 ARG B 61 -7.621 6.189 -18.611 1.00 14.32 H new ATOM 0 HE ARG B 61 -7.287 8.976 -18.432 1.00 22.03 H new ATOM 0 HH11 ARG B 61 -9.655 6.779 -19.876 1.00 5.23 H new ATOM 0 HH12 ARG B 61 -11.010 7.880 -19.604 1.00 5.23 H new ATOM 0 HH21 ARG B 61 -9.032 10.386 -18.107 1.00 52.31 H new ATOM 0 HH22 ARG B 61 -10.658 9.911 -18.607 1.00 52.31 H new ATOM 2449 N ASN B 62 -6.920 3.141 -19.632 1.00 55.33 N ATOM 2450 CA ASN B 62 -8.220 2.472 -19.617 1.00 1.22 C ATOM 2451 C ASN B 62 -8.194 1.278 -18.656 1.00 33.43 C ATOM 2452 O ASN B 62 -9.169 1.009 -17.952 1.00 54.23 O ATOM 2453 CB ASN B 62 -8.641 2.036 -21.036 1.00 71.03 C ATOM 2454 CG ASN B 62 -10.033 1.401 -21.089 1.00 63.34 C ATOM 2455 OD1 ASN B 62 -11.039 2.105 -21.218 1.00 21.22 O ATOM 2456 ND2 ASN B 62 -10.102 0.089 -21.040 1.00 23.22 N ATOM 0 H ASN B 62 -6.351 2.939 -20.454 1.00 55.33 H new ATOM 0 HA ASN B 62 -8.965 3.183 -19.260 1.00 1.22 H new ATOM 0 HB2 ASN B 62 -8.620 2.903 -21.696 1.00 71.03 H new ATOM 0 HB3 ASN B 62 -7.910 1.325 -21.421 1.00 71.03 H new ATOM 0 HD21 ASN B 62 -11.007 -0.377 -21.109 1.00 23.22 H new ATOM 0 HD22 ASN B 62 -9.251 -0.463 -20.933 1.00 23.22 H new ATOM 2463 N LEU B 63 -7.053 0.576 -18.630 1.00 31.10 N ATOM 2464 CA LEU B 63 -6.847 -0.594 -17.760 1.00 14.01 C ATOM 2465 C LEU B 63 -7.051 -0.217 -16.312 1.00 11.10 C ATOM 2466 O LEU B 63 -7.811 -0.856 -15.586 1.00 30.33 O ATOM 2467 CB LEU B 63 -5.411 -1.144 -17.907 1.00 31.22 C ATOM 2468 CG LEU B 63 -4.968 -1.576 -19.300 1.00 20.14 C ATOM 2469 CD1 LEU B 63 -3.539 -2.108 -19.282 1.00 4.53 C ATOM 2470 CD2 LEU B 63 -5.908 -2.605 -19.859 1.00 52.41 C ATOM 0 H LEU B 63 -6.246 0.802 -19.211 1.00 31.10 H new ATOM 0 HA LEU B 63 -7.569 -1.353 -18.061 1.00 14.01 H new ATOM 0 HB2 LEU B 63 -4.719 -0.379 -17.555 1.00 31.22 H new ATOM 0 HB3 LEU B 63 -5.307 -1.999 -17.239 1.00 31.22 H new ATOM 0 HG LEU B 63 -4.992 -0.699 -19.947 1.00 20.14 H new ATOM 0 HD11 LEU B 63 -3.250 -2.409 -20.289 1.00 4.53 H new ATOM 0 HD12 LEU B 63 -2.865 -1.328 -18.929 1.00 4.53 H new ATOM 0 HD13 LEU B 63 -3.479 -2.968 -18.615 1.00 4.53 H new ATOM 0 HD21 LEU B 63 -5.574 -2.900 -20.854 1.00 52.41 H new ATOM 0 HD22 LEU B 63 -5.921 -3.478 -19.207 1.00 52.41 H new ATOM 0 HD23 LEU B 63 -6.912 -2.184 -19.923 1.00 52.41 H new ATOM 2482 N ILE B 64 -6.405 0.858 -15.913 1.00 63.34 N ATOM 2483 CA ILE B 64 -6.421 1.304 -14.538 1.00 21.23 C ATOM 2484 C ILE B 64 -7.818 1.877 -14.173 1.00 34.11 C ATOM 2485 O ILE B 64 -8.163 2.038 -13.002 1.00 31.22 O ATOM 2486 CB ILE B 64 -5.270 2.332 -14.293 1.00 10.13 C ATOM 2487 CG1 ILE B 64 -5.010 2.542 -12.799 1.00 1.00 C ATOM 2488 CG2 ILE B 64 -5.579 3.672 -14.977 1.00 65.31 C ATOM 2489 CD1 ILE B 64 -3.769 3.375 -12.516 1.00 62.44 C ATOM 0 H ILE B 64 -5.853 1.448 -16.535 1.00 63.34 H new ATOM 0 HA ILE B 64 -6.242 0.456 -13.877 1.00 21.23 H new ATOM 0 HB ILE B 64 -4.364 1.917 -14.734 1.00 10.13 H new ATOM 0 HG12 ILE B 64 -5.876 3.029 -12.351 1.00 1.00 H new ATOM 0 HG13 ILE B 64 -4.905 1.571 -12.315 1.00 1.00 H new ATOM 0 HG21 ILE B 64 -4.764 4.371 -14.792 1.00 65.31 H new ATOM 0 HG22 ILE B 64 -5.687 3.516 -16.050 1.00 65.31 H new ATOM 0 HG23 ILE B 64 -6.506 4.081 -14.574 1.00 65.31 H new ATOM 0 HD11 ILE B 64 -3.643 3.486 -11.439 1.00 62.44 H new ATOM 0 HD12 ILE B 64 -2.894 2.878 -12.935 1.00 62.44 H new ATOM 0 HD13 ILE B 64 -3.880 4.359 -12.971 1.00 62.44 H new ATOM 2501 N ARG B 65 -8.623 2.142 -15.198 1.00 65.14 N ATOM 2502 CA ARG B 65 -9.982 2.599 -15.010 1.00 11.41 C ATOM 2503 C ARG B 65 -10.992 1.478 -14.960 1.00 44.34 C ATOM 2504 O ARG B 65 -12.183 1.712 -14.804 1.00 64.43 O ATOM 2505 CB ARG B 65 -10.383 3.704 -15.980 1.00 34.33 C ATOM 2506 CG ARG B 65 -10.188 5.113 -15.414 1.00 65.43 C ATOM 2507 CD ARG B 65 -11.241 5.441 -14.318 1.00 4.51 C ATOM 2508 NE ARG B 65 -11.217 4.517 -13.146 1.00 34.44 N ATOM 2509 CZ ARG B 65 -12.314 4.145 -12.435 1.00 1.12 C ATOM 2510 NH1 ARG B 65 -13.497 4.681 -12.710 1.00 35.32 N ATOM 2511 NH2 ARG B 65 -12.209 3.242 -11.452 1.00 31.05 N ATOM 0 H ARG B 65 -8.346 2.044 -16.175 1.00 65.14 H new ATOM 0 HA ARG B 65 -9.992 3.050 -14.018 1.00 11.41 H new ATOM 0 HB2 ARG B 65 -9.798 3.604 -16.894 1.00 34.33 H new ATOM 0 HB3 ARG B 65 -11.430 3.573 -16.255 1.00 34.33 H new ATOM 0 HG2 ARG B 65 -9.186 5.202 -14.995 1.00 65.43 H new ATOM 0 HG3 ARG B 65 -10.262 5.843 -16.220 1.00 65.43 H new ATOM 0 HD2 ARG B 65 -11.077 6.459 -13.966 1.00 4.51 H new ATOM 0 HD3 ARG B 65 -12.234 5.415 -14.766 1.00 4.51 H new ATOM 0 HE ARG B 65 -10.315 4.138 -12.859 1.00 34.44 H new ATOM 0 HH11 ARG B 65 -13.583 5.372 -13.455 1.00 35.32 H new ATOM 0 HH12 ARG B 65 -14.320 4.402 -12.176 1.00 35.32 H new ATOM 0 HH21 ARG B 65 -11.302 2.829 -11.233 1.00 31.05 H new ATOM 0 HH22 ARG B 65 -13.036 2.967 -10.922 1.00 31.05 H new ATOM 2525 N ARG B 66 -10.531 0.265 -15.077 1.00 1.41 N ATOM 2526 CA ARG B 66 -11.407 -0.866 -14.882 1.00 50.33 C ATOM 2527 C ARG B 66 -11.193 -1.452 -13.499 1.00 52.34 C ATOM 2528 O ARG B 66 -11.718 -2.495 -13.169 1.00 54.14 O ATOM 2529 CB ARG B 66 -11.272 -1.926 -15.984 1.00 11.32 C ATOM 2530 CG ARG B 66 -11.765 -1.449 -17.347 1.00 55.31 C ATOM 2531 CD ARG B 66 -11.805 -2.584 -18.361 1.00 1.33 C ATOM 2532 NE ARG B 66 -10.478 -3.125 -18.687 1.00 11.15 N ATOM 2533 CZ ARG B 66 -10.154 -4.428 -18.663 1.00 3.04 C ATOM 2534 NH1 ARG B 66 -11.003 -5.332 -18.161 1.00 70.33 N ATOM 2535 NH2 ARG B 66 -8.971 -4.821 -19.125 1.00 1.15 N ATOM 0 H ARG B 66 -9.565 0.030 -15.304 1.00 1.41 H new ATOM 0 HA ARG B 66 -12.433 -0.506 -14.954 1.00 50.33 H new ATOM 0 HB2 ARG B 66 -10.226 -2.222 -16.067 1.00 11.32 H new ATOM 0 HB3 ARG B 66 -11.832 -2.815 -15.694 1.00 11.32 H new ATOM 0 HG2 ARG B 66 -12.761 -1.019 -17.243 1.00 55.31 H new ATOM 0 HG3 ARG B 66 -11.112 -0.657 -17.713 1.00 55.31 H new ATOM 0 HD2 ARG B 66 -12.430 -3.387 -17.971 1.00 1.33 H new ATOM 0 HD3 ARG B 66 -12.278 -2.227 -19.276 1.00 1.33 H new ATOM 0 HE ARG B 66 -9.749 -2.462 -18.951 1.00 11.15 H new ATOM 0 HH11 ARG B 66 -11.906 -5.034 -17.792 1.00 70.33 H new ATOM 0 HH12 ARG B 66 -10.747 -6.319 -18.147 1.00 70.33 H new ATOM 0 HH21 ARG B 66 -8.314 -4.134 -19.495 1.00 1.15 H new ATOM 0 HH22 ARG B 66 -8.720 -5.810 -19.109 1.00 1.15 H new ATOM 2549 N HIS B 67 -10.427 -0.738 -12.694 1.00 45.32 N ATOM 2550 CA HIS B 67 -10.138 -1.129 -11.324 1.00 50.42 C ATOM 2551 C HIS B 67 -10.536 0.001 -10.398 1.00 11.11 C ATOM 2552 O HIS B 67 -10.482 1.184 -10.794 1.00 1.53 O ATOM 2553 CB HIS B 67 -8.643 -1.448 -11.136 1.00 41.00 C ATOM 2554 CG HIS B 67 -8.143 -2.635 -11.905 1.00 71.43 C ATOM 2555 ND1 HIS B 67 -7.859 -3.844 -11.327 1.00 34.12 N ATOM 2556 CD2 HIS B 67 -7.845 -2.776 -13.217 1.00 1.25 C ATOM 2557 CE1 HIS B 67 -7.405 -4.671 -12.248 1.00 5.52 C ATOM 2558 NE2 HIS B 67 -7.389 -4.048 -13.400 1.00 1.22 N ATOM 0 H HIS B 67 -9.984 0.137 -12.974 1.00 45.32 H new ATOM 0 HA HIS B 67 -10.706 -2.030 -11.091 1.00 50.42 H new ATOM 0 HB2 HIS B 67 -8.061 -0.574 -11.429 1.00 41.00 H new ATOM 0 HB3 HIS B 67 -8.454 -1.616 -10.076 1.00 41.00 H new ATOM 0 HD1 HIS B 67 -7.980 -4.069 -10.339 1.00 34.12 H new ATOM 0 HD2 HIS B 67 -7.949 -2.019 -13.980 1.00 1.25 H new ATOM 0 HE1 HIS B 67 -7.097 -5.693 -12.080 1.00 5.52 H new ATOM 2567 N GLU B 68 -10.917 -0.333 -9.187 1.00 42.34 N ATOM 2568 CA GLU B 68 -11.344 0.647 -8.212 1.00 61.53 C ATOM 2569 C GLU B 68 -10.223 1.083 -7.295 1.00 1.33 C ATOM 2570 O GLU B 68 -10.435 1.875 -6.398 1.00 75.43 O ATOM 2571 CB GLU B 68 -12.563 0.180 -7.449 1.00 14.51 C ATOM 2572 CG GLU B 68 -13.837 0.221 -8.275 1.00 10.30 C ATOM 2573 CD GLU B 68 -14.220 1.647 -8.668 1.00 63.53 C ATOM 2574 OE1 GLU B 68 -14.708 2.407 -7.791 1.00 44.23 O ATOM 2575 OE2 GLU B 68 -14.046 2.035 -9.864 1.00 5.41 O ATOM 0 H GLU B 68 -10.940 -1.295 -8.848 1.00 42.34 H new ATOM 0 HA GLU B 68 -11.637 1.537 -8.769 1.00 61.53 H new ATOM 0 HB2 GLU B 68 -12.397 -0.839 -7.100 1.00 14.51 H new ATOM 0 HB3 GLU B 68 -12.691 0.804 -6.564 1.00 14.51 H new ATOM 0 HG2 GLU B 68 -13.705 -0.380 -9.175 1.00 10.30 H new ATOM 0 HG3 GLU B 68 -14.651 -0.230 -7.708 1.00 10.30 H new ATOM 2582 N ARG B 69 -9.019 0.538 -7.537 1.00 73.41 N ATOM 2583 CA ARG B 69 -7.756 1.003 -6.906 1.00 31.43 C ATOM 2584 C ARG B 69 -7.479 0.386 -5.533 1.00 1.04 C ATOM 2585 O ARG B 69 -6.310 0.224 -5.156 1.00 22.53 O ATOM 2586 CB ARG B 69 -7.683 2.548 -6.895 1.00 54.13 C ATOM 2587 CG ARG B 69 -7.835 3.121 -8.286 1.00 22.41 C ATOM 2588 CD ARG B 69 -8.285 4.548 -8.250 1.00 0.45 C ATOM 2589 NE ARG B 69 -8.453 5.069 -9.605 1.00 61.11 N ATOM 2590 CZ ARG B 69 -9.538 5.664 -10.093 1.00 23.13 C ATOM 2591 NH1 ARG B 69 -10.670 5.700 -9.398 1.00 60.42 N ATOM 2592 NH2 ARG B 69 -9.492 6.183 -11.308 1.00 54.24 N ATOM 0 H ARG B 69 -8.886 -0.243 -8.179 1.00 73.41 H new ATOM 0 HA ARG B 69 -6.944 0.633 -7.533 1.00 31.43 H new ATOM 0 HB2 ARG B 69 -8.466 2.945 -6.249 1.00 54.13 H new ATOM 0 HB3 ARG B 69 -6.730 2.865 -6.472 1.00 54.13 H new ATOM 0 HG2 ARG B 69 -6.884 3.052 -8.814 1.00 22.41 H new ATOM 0 HG3 ARG B 69 -8.555 2.526 -8.848 1.00 22.41 H new ATOM 0 HD2 ARG B 69 -9.226 4.624 -7.706 1.00 0.45 H new ATOM 0 HD3 ARG B 69 -7.555 5.152 -7.710 1.00 0.45 H new ATOM 0 HE ARG B 69 -7.660 4.966 -10.239 1.00 61.11 H new ATOM 0 HH11 ARG B 69 -10.716 5.267 -8.476 1.00 60.42 H new ATOM 0 HH12 ARG B 69 -11.493 6.160 -9.787 1.00 60.42 H new ATOM 0 HH21 ARG B 69 -8.634 6.124 -11.856 1.00 54.24 H new ATOM 0 HH22 ARG B 69 -10.315 6.643 -11.698 1.00 54.24 H new ATOM 2606 N ASP B 70 -8.523 0.019 -4.806 1.00 23.43 N ATOM 2607 CA ASP B 70 -8.354 -0.636 -3.494 1.00 22.11 C ATOM 2608 C ASP B 70 -7.655 -1.958 -3.646 1.00 10.03 C ATOM 2609 O ASP B 70 -6.804 -2.324 -2.820 1.00 20.22 O ATOM 2610 CB ASP B 70 -9.682 -0.872 -2.769 1.00 21.24 C ATOM 2611 CG ASP B 70 -10.322 0.366 -2.219 1.00 75.33 C ATOM 2612 OD1 ASP B 70 -11.248 0.890 -2.841 1.00 44.24 O ATOM 2613 OD2 ASP B 70 -9.934 0.803 -1.119 1.00 41.14 O ATOM 0 H ASP B 70 -9.493 0.157 -5.089 1.00 23.43 H new ATOM 0 HA ASP B 70 -7.754 0.049 -2.894 1.00 22.11 H new ATOM 0 HB2 ASP B 70 -10.378 -1.349 -3.459 1.00 21.24 H new ATOM 0 HB3 ASP B 70 -9.515 -1.573 -1.951 1.00 21.24 H new ATOM 2618 N GLU B 71 -8.012 -2.665 -4.710 1.00 30.32 N ATOM 2619 CA GLU B 71 -7.450 -3.975 -5.039 1.00 25.22 C ATOM 2620 C GLU B 71 -5.955 -3.827 -5.178 1.00 44.03 C ATOM 2621 O GLU B 71 -5.169 -4.593 -4.622 1.00 1.41 O ATOM 2622 CB GLU B 71 -7.948 -4.497 -6.408 1.00 44.41 C ATOM 2623 CG GLU B 71 -9.393 -4.222 -6.784 1.00 1.24 C ATOM 2624 CD GLU B 71 -9.611 -2.776 -7.152 1.00 45.24 C ATOM 2625 OE1 GLU B 71 -10.115 -2.026 -6.316 1.00 4.04 O ATOM 2626 OE2 GLU B 71 -9.221 -2.366 -8.260 1.00 3.34 O ATOM 0 H GLU B 71 -8.710 -2.343 -5.381 1.00 30.32 H new ATOM 0 HA GLU B 71 -7.749 -4.664 -4.249 1.00 25.22 H new ATOM 0 HB2 GLU B 71 -7.312 -4.068 -7.182 1.00 44.41 H new ATOM 0 HB3 GLU B 71 -7.795 -5.576 -6.432 1.00 44.41 H new ATOM 0 HG2 GLU B 71 -9.677 -4.857 -7.623 1.00 1.24 H new ATOM 0 HG3 GLU B 71 -10.042 -4.486 -5.949 1.00 1.24 H new ATOM 2633 N ILE B 72 -5.586 -2.811 -5.934 1.00 71.15 N ATOM 2634 CA ILE B 72 -4.215 -2.500 -6.237 1.00 0.15 C ATOM 2635 C ILE B 72 -3.449 -2.220 -4.959 1.00 64.25 C ATOM 2636 O ILE B 72 -2.384 -2.780 -4.728 1.00 2.21 O ATOM 2637 CB ILE B 72 -4.136 -1.266 -7.183 1.00 45.31 C ATOM 2638 CG1 ILE B 72 -4.913 -1.546 -8.488 1.00 54.54 C ATOM 2639 CG2 ILE B 72 -2.688 -0.900 -7.481 1.00 52.41 C ATOM 2640 CD1 ILE B 72 -4.912 -0.396 -9.480 1.00 22.55 C ATOM 0 H ILE B 72 -6.252 -2.168 -6.361 1.00 71.15 H new ATOM 0 HA ILE B 72 -3.767 -3.357 -6.740 1.00 0.15 H new ATOM 0 HB ILE B 72 -4.596 -0.415 -6.681 1.00 45.31 H new ATOM 0 HG12 ILE B 72 -4.485 -2.425 -8.970 1.00 54.54 H new ATOM 0 HG13 ILE B 72 -5.945 -1.791 -8.236 1.00 54.54 H new ATOM 0 HG21 ILE B 72 -2.660 -0.035 -8.144 1.00 52.41 H new ATOM 0 HG22 ILE B 72 -2.174 -0.660 -6.550 1.00 52.41 H new ATOM 0 HG23 ILE B 72 -2.192 -1.742 -7.963 1.00 52.41 H new ATOM 0 HD11 ILE B 72 -5.480 -0.679 -10.366 1.00 22.55 H new ATOM 0 HD12 ILE B 72 -5.369 0.481 -9.021 1.00 22.55 H new ATOM 0 HD13 ILE B 72 -3.886 -0.163 -9.766 1.00 22.55 H new ATOM 2652 N MET B 73 -4.034 -1.392 -4.122 1.00 24.12 N ATOM 2653 CA MET B 73 -3.421 -0.964 -2.874 1.00 0.11 C ATOM 2654 C MET B 73 -3.119 -2.148 -1.933 1.00 40.32 C ATOM 2655 O MET B 73 -2.015 -2.256 -1.368 1.00 74.44 O ATOM 2656 CB MET B 73 -4.317 0.059 -2.186 1.00 24.33 C ATOM 2657 CG MET B 73 -3.727 0.613 -0.920 1.00 3.52 C ATOM 2658 SD MET B 73 -2.164 1.403 -1.207 1.00 12.50 S ATOM 2659 CE MET B 73 -1.766 1.943 0.438 1.00 31.14 C ATOM 0 H MET B 73 -4.957 -0.990 -4.286 1.00 24.12 H new ATOM 0 HA MET B 73 -2.463 -0.504 -3.114 1.00 0.11 H new ATOM 0 HB2 MET B 73 -4.515 0.880 -2.875 1.00 24.33 H new ATOM 0 HB3 MET B 73 -5.277 -0.404 -1.958 1.00 24.33 H new ATOM 0 HG2 MET B 73 -4.420 1.330 -0.480 1.00 3.52 H new ATOM 0 HG3 MET B 73 -3.599 -0.192 -0.197 1.00 3.52 H new ATOM 0 HE1 MET B 73 -0.701 2.166 0.500 1.00 31.14 H new ATOM 0 HE2 MET B 73 -2.339 2.840 0.675 1.00 31.14 H new ATOM 0 HE3 MET B 73 -2.014 1.155 1.149 1.00 31.14 H new ATOM 2669 N GLU B 74 -4.077 -3.038 -1.774 1.00 52.43 N ATOM 2670 CA GLU B 74 -3.876 -4.194 -0.912 1.00 20.52 C ATOM 2671 C GLU B 74 -2.906 -5.197 -1.547 1.00 33.55 C ATOM 2672 O GLU B 74 -2.151 -5.881 -0.846 1.00 24.52 O ATOM 2673 CB GLU B 74 -5.206 -4.848 -0.532 1.00 21.12 C ATOM 2674 CG GLU B 74 -6.043 -5.266 -1.712 1.00 4.44 C ATOM 2675 CD GLU B 74 -7.335 -5.898 -1.315 1.00 14.44 C ATOM 2676 OE1 GLU B 74 -8.249 -5.178 -0.867 1.00 2.44 O ATOM 2677 OE2 GLU B 74 -7.479 -7.118 -1.491 1.00 33.22 O ATOM 0 H GLU B 74 -4.992 -2.989 -2.222 1.00 52.43 H new ATOM 0 HA GLU B 74 -3.419 -3.843 0.013 1.00 20.52 H new ATOM 0 HB2 GLU B 74 -5.005 -5.723 0.086 1.00 21.12 H new ATOM 0 HB3 GLU B 74 -5.780 -4.151 0.079 1.00 21.12 H new ATOM 0 HG2 GLU B 74 -6.247 -4.394 -2.333 1.00 4.44 H new ATOM 0 HG3 GLU B 74 -5.475 -5.967 -2.324 1.00 4.44 H new ATOM 2684 N GLU B 75 -2.902 -5.260 -2.875 1.00 1.11 N ATOM 2685 CA GLU B 75 -1.997 -6.140 -3.586 1.00 43.41 C ATOM 2686 C GLU B 75 -0.566 -5.634 -3.416 1.00 52.42 C ATOM 2687 O GLU B 75 0.363 -6.429 -3.199 1.00 14.02 O ATOM 2688 CB GLU B 75 -2.386 -6.237 -5.062 1.00 53.14 C ATOM 2689 CG GLU B 75 -1.589 -7.259 -5.855 1.00 55.10 C ATOM 2690 CD GLU B 75 -1.671 -8.636 -5.244 1.00 11.35 C ATOM 2691 OE1 GLU B 75 -0.631 -9.165 -4.809 1.00 21.33 O ATOM 2692 OE2 GLU B 75 -2.782 -9.199 -5.137 1.00 54.24 O ATOM 0 H GLU B 75 -3.517 -4.710 -3.475 1.00 1.11 H new ATOM 0 HA GLU B 75 -2.064 -7.145 -3.169 1.00 43.41 H new ATOM 0 HB2 GLU B 75 -3.445 -6.487 -5.131 1.00 53.14 H new ATOM 0 HB3 GLU B 75 -2.259 -5.258 -5.524 1.00 53.14 H new ATOM 0 HG2 GLU B 75 -1.961 -7.294 -6.879 1.00 55.10 H new ATOM 0 HG3 GLU B 75 -0.546 -6.946 -5.905 1.00 55.10 H new ATOM 2699 N LEU B 76 -0.404 -4.304 -3.489 1.00 51.32 N ATOM 2700 CA LEU B 76 0.881 -3.650 -3.243 1.00 15.13 C ATOM 2701 C LEU B 76 1.387 -4.045 -1.879 1.00 34.43 C ATOM 2702 O LEU B 76 2.530 -4.477 -1.734 1.00 43.03 O ATOM 2703 CB LEU B 76 0.750 -2.112 -3.286 1.00 51.30 C ATOM 2704 CG LEU B 76 0.360 -1.471 -4.618 1.00 54.53 C ATOM 2705 CD1 LEU B 76 0.188 0.028 -4.445 1.00 44.34 C ATOM 2706 CD2 LEU B 76 1.416 -1.743 -5.669 1.00 43.01 C ATOM 0 H LEU B 76 -1.159 -3.658 -3.719 1.00 51.32 H new ATOM 0 HA LEU B 76 1.573 -3.966 -4.024 1.00 15.13 H new ATOM 0 HB2 LEU B 76 0.010 -1.817 -2.542 1.00 51.30 H new ATOM 0 HB3 LEU B 76 1.703 -1.685 -2.974 1.00 51.30 H new ATOM 0 HG LEU B 76 -0.584 -1.907 -4.945 1.00 54.53 H new ATOM 0 HD11 LEU B 76 -0.090 0.475 -5.400 1.00 44.34 H new ATOM 0 HD12 LEU B 76 -0.595 0.222 -3.712 1.00 44.34 H new ATOM 0 HD13 LEU B 76 1.125 0.464 -4.099 1.00 44.34 H new ATOM 0 HD21 LEU B 76 1.121 -1.279 -6.610 1.00 43.01 H new ATOM 0 HD22 LEU B 76 2.369 -1.327 -5.343 1.00 43.01 H new ATOM 0 HD23 LEU B 76 1.519 -2.819 -5.812 1.00 43.01 H new ATOM 2718 N THR B 77 0.507 -3.928 -0.886 1.00 0.42 N ATOM 2719 CA THR B 77 0.833 -4.254 0.477 1.00 12.20 C ATOM 2720 C THR B 77 1.294 -5.733 0.605 1.00 2.21 C ATOM 2721 O THR B 77 2.323 -6.018 1.234 1.00 2.35 O ATOM 2722 CB THR B 77 -0.387 -3.982 1.394 1.00 71.34 C ATOM 2723 OG1 THR B 77 -0.836 -2.622 1.206 1.00 21.02 O ATOM 2724 CG2 THR B 77 -0.016 -4.174 2.861 1.00 41.24 C ATOM 0 H THR B 77 -0.451 -3.603 -1.017 1.00 0.42 H new ATOM 0 HA THR B 77 1.661 -3.619 0.793 1.00 12.20 H new ATOM 0 HB THR B 77 -1.177 -4.685 1.130 1.00 71.34 H new ATOM 0 HG1 THR B 77 -1.332 -2.555 0.363 1.00 21.02 H new ATOM 0 HG21 THR B 77 -0.888 -3.978 3.485 1.00 41.24 H new ATOM 0 HG22 THR B 77 0.321 -5.198 3.020 1.00 41.24 H new ATOM 0 HG23 THR B 77 0.784 -3.483 3.127 1.00 41.24 H new ATOM 2732 N LYS B 78 0.552 -6.662 -0.027 1.00 75.11 N ATOM 2733 CA LYS B 78 0.900 -8.086 0.046 1.00 50.03 C ATOM 2734 C LYS B 78 2.225 -8.385 -0.604 1.00 45.34 C ATOM 2735 O LYS B 78 3.065 -9.025 -0.014 1.00 72.34 O ATOM 2736 CB LYS B 78 -0.179 -8.996 -0.549 1.00 64.30 C ATOM 2737 CG LYS B 78 -1.499 -8.916 0.165 1.00 24.34 C ATOM 2738 CD LYS B 78 -2.562 -9.937 -0.318 1.00 74.24 C ATOM 2739 CE LYS B 78 -2.900 -9.851 -1.814 1.00 15.31 C ATOM 2740 NZ LYS B 78 -1.864 -10.443 -2.698 1.00 0.04 N ATOM 0 H LYS B 78 -0.277 -6.454 -0.583 1.00 75.11 H new ATOM 0 HA LYS B 78 0.975 -8.303 1.111 1.00 50.03 H new ATOM 0 HB2 LYS B 78 -0.326 -8.733 -1.596 1.00 64.30 H new ATOM 0 HB3 LYS B 78 0.175 -10.027 -0.526 1.00 64.30 H new ATOM 0 HG2 LYS B 78 -1.329 -9.066 1.231 1.00 24.34 H new ATOM 0 HG3 LYS B 78 -1.901 -7.910 0.045 1.00 24.34 H new ATOM 0 HD2 LYS B 78 -2.206 -10.943 -0.097 1.00 74.24 H new ATOM 0 HD3 LYS B 78 -3.476 -9.788 0.256 1.00 74.24 H new ATOM 0 HE2 LYS B 78 -3.849 -10.357 -1.992 1.00 15.31 H new ATOM 0 HE3 LYS B 78 -3.041 -8.805 -2.085 1.00 15.31 H new ATOM 0 HZ1 LYS B 78 -2.323 -11.004 -3.444 1.00 0.04 H new ATOM 0 HZ2 LYS B 78 -1.303 -9.683 -3.132 1.00 0.04 H new ATOM 0 HZ3 LYS B 78 -1.240 -11.058 -2.138 1.00 0.04 H new ATOM 2754 N TYR B 79 2.410 -7.910 -1.810 1.00 33.51 N ATOM 2755 CA TYR B 79 3.634 -8.191 -2.558 1.00 35.42 C ATOM 2756 C TYR B 79 4.847 -7.620 -1.828 1.00 4.34 C ATOM 2757 O TYR B 79 5.873 -8.294 -1.676 1.00 51.41 O ATOM 2758 CB TYR B 79 3.530 -7.589 -3.950 1.00 35.01 C ATOM 2759 CG TYR B 79 4.648 -7.966 -4.902 1.00 35.52 C ATOM 2760 CD1 TYR B 79 4.431 -8.894 -5.900 1.00 51.31 C ATOM 2761 CD2 TYR B 79 5.907 -7.390 -4.804 1.00 3.12 C ATOM 2762 CE1 TYR B 79 5.429 -9.241 -6.781 1.00 52.14 C ATOM 2763 CE2 TYR B 79 6.913 -7.732 -5.679 1.00 25.22 C ATOM 2764 CZ TYR B 79 6.667 -8.660 -6.668 1.00 33.22 C ATOM 2765 OH TYR B 79 7.661 -9.007 -7.547 1.00 63.42 O ATOM 0 H TYR B 79 1.736 -7.326 -2.304 1.00 33.51 H new ATOM 0 HA TYR B 79 3.759 -9.271 -2.641 1.00 35.42 H new ATOM 0 HB2 TYR B 79 2.581 -7.895 -4.390 1.00 35.01 H new ATOM 0 HB3 TYR B 79 3.504 -6.503 -3.858 1.00 35.01 H new ATOM 0 HD1 TYR B 79 3.459 -9.357 -5.991 1.00 51.31 H new ATOM 0 HD2 TYR B 79 6.100 -6.663 -4.030 1.00 3.12 H new ATOM 0 HE1 TYR B 79 5.239 -9.967 -7.558 1.00 52.14 H new ATOM 0 HE2 TYR B 79 7.888 -7.276 -5.591 1.00 25.22 H new ATOM 0 HH TYR B 79 7.264 -9.257 -8.408 1.00 63.42 H new ATOM 2775 N TYR B 80 4.706 -6.386 -1.364 1.00 0.15 N ATOM 2776 CA TYR B 80 5.766 -5.682 -0.666 1.00 41.53 C ATOM 2777 C TYR B 80 6.235 -6.493 0.539 1.00 21.32 C ATOM 2778 O TYR B 80 7.442 -6.647 0.781 1.00 51.21 O ATOM 2779 CB TYR B 80 5.248 -4.311 -0.210 1.00 73.34 C ATOM 2780 CG TYR B 80 6.282 -3.423 0.427 1.00 34.45 C ATOM 2781 CD1 TYR B 80 7.107 -2.647 -0.357 1.00 73.41 C ATOM 2782 CD2 TYR B 80 6.430 -3.354 1.807 1.00 15.43 C ATOM 2783 CE1 TYR B 80 8.052 -1.826 0.201 1.00 61.04 C ATOM 2784 CE2 TYR B 80 7.377 -2.530 2.375 1.00 34.31 C ATOM 2785 CZ TYR B 80 8.187 -1.769 1.561 1.00 15.11 C ATOM 2786 OH TYR B 80 9.135 -0.948 2.114 1.00 61.22 O ATOM 0 H TYR B 80 3.847 -5.845 -1.463 1.00 0.15 H new ATOM 0 HA TYR B 80 6.612 -5.545 -1.340 1.00 41.53 H new ATOM 0 HB2 TYR B 80 4.827 -3.793 -1.072 1.00 73.34 H new ATOM 0 HB3 TYR B 80 4.435 -4.464 0.499 1.00 73.34 H new ATOM 0 HD1 TYR B 80 7.007 -2.686 -1.432 1.00 73.41 H new ATOM 0 HD2 TYR B 80 5.795 -3.954 2.442 1.00 15.43 H new ATOM 0 HE1 TYR B 80 8.689 -1.225 -0.432 1.00 61.04 H new ATOM 0 HE2 TYR B 80 7.483 -2.481 3.449 1.00 34.31 H new ATOM 0 HH TYR B 80 9.770 -0.669 1.422 1.00 61.22 H new ATOM 2796 N LEU B 81 5.286 -6.986 1.293 1.00 73.53 N ATOM 2797 CA LEU B 81 5.567 -7.790 2.451 1.00 61.43 C ATOM 2798 C LEU B 81 6.034 -9.209 2.101 1.00 21.03 C ATOM 2799 O LEU B 81 6.954 -9.740 2.740 1.00 41.00 O ATOM 2800 CB LEU B 81 4.391 -7.783 3.414 1.00 1.14 C ATOM 2801 CG LEU B 81 4.052 -6.411 4.011 1.00 63.41 C ATOM 2802 CD1 LEU B 81 2.834 -6.494 4.896 1.00 14.01 C ATOM 2803 CD2 LEU B 81 5.237 -5.863 4.793 1.00 32.12 C ATOM 0 H LEU B 81 4.292 -6.839 1.118 1.00 73.53 H new ATOM 0 HA LEU B 81 6.414 -7.330 2.961 1.00 61.43 H new ATOM 0 HB2 LEU B 81 3.512 -8.164 2.894 1.00 1.14 H new ATOM 0 HB3 LEU B 81 4.604 -8.475 4.229 1.00 1.14 H new ATOM 0 HG LEU B 81 3.830 -5.730 3.189 1.00 63.41 H new ATOM 0 HD11 LEU B 81 2.615 -5.508 5.307 1.00 14.01 H new ATOM 0 HD12 LEU B 81 1.982 -6.841 4.311 1.00 14.01 H new ATOM 0 HD13 LEU B 81 3.023 -7.193 5.711 1.00 14.01 H new ATOM 0 HD21 LEU B 81 4.979 -4.889 5.210 1.00 32.12 H new ATOM 0 HD22 LEU B 81 5.488 -6.549 5.602 1.00 32.12 H new ATOM 0 HD23 LEU B 81 6.094 -5.758 4.128 1.00 32.12 H new ATOM 2815 N ALA B 82 5.442 -9.795 1.065 1.00 15.21 N ATOM 2816 CA ALA B 82 5.751 -11.174 0.661 1.00 11.54 C ATOM 2817 C ALA B 82 7.197 -11.303 0.241 1.00 43.14 C ATOM 2818 O ALA B 82 7.858 -12.313 0.517 1.00 11.25 O ATOM 2819 CB ALA B 82 4.832 -11.627 -0.466 1.00 31.33 C ATOM 0 H ALA B 82 4.740 -9.338 0.483 1.00 15.21 H new ATOM 0 HA ALA B 82 5.585 -11.819 1.524 1.00 11.54 H new ATOM 0 HB1 ALA B 82 5.079 -12.650 -0.748 1.00 31.33 H new ATOM 0 HB2 ALA B 82 3.796 -11.584 -0.130 1.00 31.33 H new ATOM 0 HB3 ALA B 82 4.962 -10.972 -1.327 1.00 31.33 H new ATOM 2825 N ASN B 83 7.696 -10.261 -0.387 1.00 53.04 N ATOM 2826 CA ASN B 83 9.039 -10.177 -0.872 1.00 10.11 C ATOM 2827 C ASN B 83 10.081 -10.311 0.267 1.00 32.41 C ATOM 2828 O ASN B 83 11.254 -10.539 0.015 1.00 4.42 O ATOM 2829 CB ASN B 83 9.179 -8.825 -1.516 1.00 34.13 C ATOM 2830 CG ASN B 83 10.154 -8.826 -2.616 1.00 71.04 C ATOM 2831 OD1 ASN B 83 11.347 -8.573 -2.442 1.00 41.02 O ATOM 2832 ND2 ASN B 83 9.656 -9.113 -3.764 1.00 20.31 N ATOM 0 H ASN B 83 7.149 -9.421 -0.577 1.00 53.04 H new ATOM 0 HA ASN B 83 9.227 -10.992 -1.571 1.00 10.11 H new ATOM 0 HB2 ASN B 83 8.209 -8.504 -1.895 1.00 34.13 H new ATOM 0 HB3 ASN B 83 9.485 -8.097 -0.764 1.00 34.13 H new ATOM 0 HD21 ASN B 83 10.256 -9.139 -4.588 1.00 20.31 H new ATOM 0 HD22 ASN B 83 8.660 -9.315 -3.852 1.00 20.31 H new ATOM 2839 N HIS B 84 9.639 -10.185 1.521 1.00 43.11 N ATOM 2840 CA HIS B 84 10.559 -10.285 2.668 1.00 64.41 C ATOM 2841 C HIS B 84 10.615 -11.709 3.197 1.00 55.25 C ATOM 2842 O HIS B 84 11.287 -11.982 4.182 1.00 1.24 O ATOM 2843 CB HIS B 84 10.149 -9.352 3.819 1.00 14.21 C ATOM 2844 CG HIS B 84 10.035 -7.914 3.452 1.00 54.45 C ATOM 2845 ND1 HIS B 84 8.987 -7.077 3.537 1.00 23.32 N flip ATOM 2846 CD2 HIS B 84 11.050 -7.192 2.881 1.00 61.32 C flip ATOM 2847 CE1 HIS B 84 9.375 -5.874 3.013 1.00 43.00 C flip ATOM 2848 NE2 HIS B 84 10.630 -5.975 2.626 1.00 71.42 N flip ATOM 0 H HIS B 84 8.665 -10.016 1.771 1.00 43.11 H new ATOM 0 HA HIS B 84 11.541 -9.984 2.302 1.00 64.41 H new ATOM 0 HB2 HIS B 84 9.191 -9.688 4.215 1.00 14.21 H new ATOM 0 HB3 HIS B 84 10.878 -9.450 4.623 1.00 14.21 H new ATOM 0 HD2 HIS B 84 12.042 -7.566 2.673 1.00 61.32 H new ATOM 0 HE1 HIS B 84 8.757 -4.992 2.931 1.00 43.00 H new ATOM 0 HE2 HIS B 84 11.183 -5.232 2.199 1.00 71.42 H new ATOM 2857 N GLY B 85 9.899 -12.606 2.551 1.00 42.44 N ATOM 2858 CA GLY B 85 9.869 -13.983 3.001 1.00 45.34 C ATOM 2859 C GLY B 85 8.626 -14.271 3.809 1.00 51.24 C ATOM 2860 O GLY B 85 8.492 -15.329 4.429 1.00 53.53 O ATOM 0 H GLY B 85 9.336 -12.411 1.723 1.00 42.44 H new ATOM 0 HA2 GLY B 85 9.908 -14.650 2.140 1.00 45.34 H new ATOM 0 HA3 GLY B 85 10.753 -14.190 3.604 1.00 45.34 H new ATOM 2864 N ILE B 86 7.717 -13.331 3.803 1.00 23.33 N ATOM 2865 CA ILE B 86 6.468 -13.471 4.514 1.00 1.11 C ATOM 2866 C ILE B 86 5.437 -14.088 3.596 1.00 60.11 C ATOM 2867 O ILE B 86 5.291 -13.669 2.451 1.00 52.32 O ATOM 2868 CB ILE B 86 5.952 -12.104 5.029 1.00 53.34 C ATOM 2869 CG1 ILE B 86 6.965 -11.486 5.996 1.00 21.11 C ATOM 2870 CG2 ILE B 86 4.590 -12.255 5.705 1.00 34.20 C ATOM 2871 CD1 ILE B 86 6.546 -10.139 6.540 1.00 43.42 C ATOM 0 H ILE B 86 7.819 -12.446 3.306 1.00 23.33 H new ATOM 0 HA ILE B 86 6.637 -14.114 5.378 1.00 1.11 H new ATOM 0 HB ILE B 86 5.833 -11.438 4.174 1.00 53.34 H new ATOM 0 HG12 ILE B 86 7.122 -12.171 6.829 1.00 21.11 H new ATOM 0 HG13 ILE B 86 7.922 -11.380 5.486 1.00 21.11 H new ATOM 0 HG21 ILE B 86 4.249 -11.282 6.058 1.00 34.20 H new ATOM 0 HG22 ILE B 86 3.871 -12.654 4.989 1.00 34.20 H new ATOM 0 HG23 ILE B 86 4.677 -12.937 6.550 1.00 34.20 H new ATOM 0 HD11 ILE B 86 7.314 -9.765 7.217 1.00 43.42 H new ATOM 0 HD12 ILE B 86 6.417 -9.438 5.716 1.00 43.42 H new ATOM 0 HD13 ILE B 86 5.605 -10.241 7.080 1.00 43.42 H new ATOM 2883 N ASP B 87 4.753 -15.078 4.075 1.00 34.20 N ATOM 2884 CA ASP B 87 3.734 -15.740 3.287 1.00 40.15 C ATOM 2885 C ASP B 87 2.382 -15.147 3.616 1.00 72.32 C ATOM 2886 O ASP B 87 1.947 -15.178 4.773 1.00 12.25 O ATOM 2887 CB ASP B 87 3.741 -17.248 3.555 1.00 14.12 C ATOM 2888 CG ASP B 87 2.745 -18.008 2.711 1.00 14.31 C ATOM 2889 OD1 ASP B 87 3.028 -18.256 1.518 1.00 11.03 O ATOM 2890 OD2 ASP B 87 1.688 -18.409 3.225 1.00 32.30 O ATOM 0 H ASP B 87 4.875 -15.456 5.014 1.00 34.20 H new ATOM 0 HA ASP B 87 3.944 -15.587 2.228 1.00 40.15 H new ATOM 0 HB2 ASP B 87 4.741 -17.639 3.366 1.00 14.12 H new ATOM 0 HB3 ASP B 87 3.524 -17.424 4.608 1.00 14.12 H new ATOM 2895 N ILE B 88 1.737 -14.592 2.623 1.00 31.53 N ATOM 2896 CA ILE B 88 0.441 -13.963 2.787 1.00 21.03 C ATOM 2897 C ILE B 88 -0.568 -14.723 1.931 1.00 23.23 C ATOM 2898 O ILE B 88 -0.192 -15.297 0.904 1.00 40.12 O ATOM 2899 CB ILE B 88 0.489 -12.475 2.331 1.00 42.41 C ATOM 2900 CG1 ILE B 88 1.595 -11.725 3.065 1.00 12.35 C ATOM 2901 CG2 ILE B 88 -0.846 -11.787 2.581 1.00 50.44 C ATOM 2902 CD1 ILE B 88 1.749 -10.298 2.614 1.00 60.43 C ATOM 0 H ILE B 88 2.094 -14.561 1.668 1.00 31.53 H new ATOM 0 HA ILE B 88 0.155 -13.989 3.838 1.00 21.03 H new ATOM 0 HB ILE B 88 0.697 -12.461 1.261 1.00 42.41 H new ATOM 0 HG12 ILE B 88 1.386 -11.740 4.135 1.00 12.35 H new ATOM 0 HG13 ILE B 88 2.539 -12.249 2.917 1.00 12.35 H new ATOM 0 HG21 ILE B 88 -0.787 -10.749 2.254 1.00 50.44 H new ATOM 0 HG22 ILE B 88 -1.630 -12.299 2.023 1.00 50.44 H new ATOM 0 HG23 ILE B 88 -1.078 -11.820 3.645 1.00 50.44 H new ATOM 0 HD11 ILE B 88 2.553 -9.823 3.177 1.00 60.43 H new ATOM 0 HD12 ILE B 88 1.989 -10.276 1.551 1.00 60.43 H new ATOM 0 HD13 ILE B 88 0.817 -9.759 2.787 1.00 60.43 H new ATOM 2914 N LYS B 89 -1.815 -14.764 2.353 1.00 63.24 N ATOM 2915 CA LYS B 89 -2.839 -15.458 1.600 1.00 72.35 C ATOM 2916 C LYS B 89 -3.597 -14.478 0.696 1.00 12.45 C ATOM 2917 O LYS B 89 -4.543 -13.813 1.178 1.00 37.52 O ATOM 2918 CB LYS B 89 -3.809 -16.187 2.541 1.00 65.11 C ATOM 2919 CG LYS B 89 -3.132 -17.158 3.510 1.00 11.53 C ATOM 2920 CD LYS B 89 -2.310 -18.219 2.787 1.00 41.05 C ATOM 2921 CE LYS B 89 -1.645 -19.161 3.776 1.00 33.01 C ATOM 2922 NZ LYS B 89 -0.805 -20.178 3.100 1.00 22.02 N ATOM 2923 OXT LYS B 89 -3.263 -14.377 -0.507 1.00 37.52 O ATOM 0 H LYS B 89 -2.144 -14.325 3.213 1.00 63.24 H new ATOM 0 HA LYS B 89 -2.354 -16.204 0.970 1.00 72.35 H new ATOM 0 HB2 LYS B 89 -4.365 -15.447 3.116 1.00 65.11 H new ATOM 0 HB3 LYS B 89 -4.535 -16.736 1.942 1.00 65.11 H new ATOM 0 HG2 LYS B 89 -2.485 -16.600 4.187 1.00 11.53 H new ATOM 0 HG3 LYS B 89 -3.891 -17.645 4.122 1.00 11.53 H new ATOM 0 HD2 LYS B 89 -2.953 -18.787 2.115 1.00 41.05 H new ATOM 0 HD3 LYS B 89 -1.551 -17.738 2.171 1.00 41.05 H new ATOM 0 HE2 LYS B 89 -1.030 -18.585 4.467 1.00 33.01 H new ATOM 0 HE3 LYS B 89 -2.410 -19.660 4.371 1.00 33.01 H new ATOM 0 HZ1 LYS B 89 -0.775 -21.043 3.677 1.00 22.02 H new ATOM 0 HZ2 LYS B 89 -1.209 -20.398 2.167 1.00 22.02 H new ATOM 0 HZ3 LYS B 89 0.160 -19.808 2.981 1.00 22.02 H new TER 2937 LYS B 89