USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 691 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 66 GLN : amide:sc= 1.04 K(o=1.7,f=-18!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ -174:sc= 0.623 (180deg=0) USER MOD Set 2.1: A 41 GLN : amide:sc= 1.47 K(o=2,f=-7.7!) USER MOD Set 2.2: A 45 GLN : amide:sc= 0.495 K(o=2,f=-7.2!) USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.112 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc=-0.00076 (180deg=-0.00076) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HE2:sc= 0.923 K(o=0.92,f=-4.9!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 84:sc= 1.28 USER MOD Single : A 16 THR OG1 : rot -88:sc= 0.691 USER MOD Single : A 34 CYS SG : rot 180:sc= -2.46! USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 103:sc= 0.0215! USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 105:sc= 0.749 USER MOD Single : A 59 LYS NZ :NH3+ -158:sc= 1.41 (180deg=0.42) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 103:sc= 0.782 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -173:sc= -0.135 (180deg=-0.144) USER MOD Single : A 79 LYS NZ :NH3+ 166:sc= 1.33 (180deg=0.0865!) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0.497 K(o=0.5,f=-1.8) USER MOD Single : A 89 HIS : no HE2:sc= 0.787 K(o=0.79,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.802 -28.932 -11.640 1.00 7.78 N ATOM 2 CA GLY A 1 22.179 -28.496 -10.347 1.00 7.12 C ATOM 3 C GLY A 1 20.912 -29.333 -10.084 1.00 6.46 C ATOM 4 O GLY A 1 20.474 -30.069 -10.945 1.00 6.67 O ATOM 0 H1 GLY A 1 23.768 -29.275 -11.462 1.00 7.78 H new ATOM 0 H2 GLY A 1 22.235 -29.697 -12.058 1.00 7.78 H new ATOM 0 H3 GLY A 1 22.836 -28.127 -12.298 1.00 7.78 H new ATOM 0 HA2 GLY A 1 22.888 -28.621 -9.528 1.00 7.12 H new ATOM 0 HA3 GLY A 1 21.926 -27.437 -10.391 1.00 7.12 H new ATOM 10 N SER A 2 20.323 -29.239 -8.914 1.00 5.91 N ATOM 11 CA SER A 2 19.090 -30.050 -8.640 1.00 5.42 C ATOM 12 C SER A 2 17.839 -29.303 -9.111 1.00 5.05 C ATOM 13 O SER A 2 17.806 -28.086 -9.140 1.00 4.57 O ATOM 14 CB SER A 2 19.071 -30.296 -7.130 1.00 5.25 C ATOM 15 OG SER A 2 19.804 -31.482 -6.860 1.00 5.72 O ATOM 0 H SER A 2 20.636 -28.645 -8.146 1.00 5.91 H new ATOM 0 HA SER A 2 19.099 -30.996 -9.182 1.00 5.42 H new ATOM 0 HB2 SER A 2 19.511 -29.450 -6.602 1.00 5.25 H new ATOM 0 HB3 SER A 2 18.045 -30.395 -6.775 1.00 5.25 H new ATOM 0 HG SER A 2 19.804 -31.654 -5.895 1.00 5.72 H new ATOM 21 N MET A 3 16.819 -30.019 -9.526 1.00 5.51 N ATOM 22 CA MET A 3 15.599 -29.327 -10.047 1.00 5.34 C ATOM 23 C MET A 3 14.420 -29.342 -9.060 1.00 4.86 C ATOM 24 O MET A 3 13.871 -30.376 -8.736 1.00 5.42 O ATOM 25 CB MET A 3 15.206 -30.083 -11.332 1.00 6.47 C ATOM 26 CG MET A 3 16.376 -30.124 -12.323 1.00 7.10 C ATOM 27 SD MET A 3 15.970 -29.092 -13.754 1.00 8.03 S ATOM 28 CE MET A 3 16.931 -27.643 -13.261 1.00 8.53 C ATOM 0 H MET A 3 16.779 -31.038 -9.526 1.00 5.51 H new ATOM 0 HA MET A 3 15.825 -28.274 -10.218 1.00 5.34 H new ATOM 0 HB2 MET A 3 14.900 -31.099 -11.082 1.00 6.47 H new ATOM 0 HB3 MET A 3 14.348 -29.597 -11.796 1.00 6.47 H new ATOM 0 HG2 MET A 3 17.287 -29.764 -11.845 1.00 7.10 H new ATOM 0 HG3 MET A 3 16.566 -31.150 -12.640 1.00 7.10 H new ATOM 0 HE1 MET A 3 16.825 -26.863 -14.015 1.00 8.53 H new ATOM 0 HE2 MET A 3 16.567 -27.274 -12.302 1.00 8.53 H new ATOM 0 HE3 MET A 3 17.982 -27.918 -13.168 1.00 8.53 H new ATOM 38 N SER A 4 13.986 -28.179 -8.648 1.00 4.09 N ATOM 39 CA SER A 4 12.786 -28.080 -7.762 1.00 3.85 C ATOM 40 C SER A 4 11.654 -27.422 -8.591 1.00 3.40 C ATOM 41 O SER A 4 10.584 -27.125 -8.088 1.00 3.27 O ATOM 42 CB SER A 4 13.210 -27.198 -6.573 1.00 3.47 C ATOM 43 OG SER A 4 13.794 -28.003 -5.545 1.00 4.17 O ATOM 0 H SER A 4 14.415 -27.286 -8.889 1.00 4.09 H new ATOM 0 HA SER A 4 12.427 -29.042 -7.395 1.00 3.85 H new ATOM 0 HB2 SER A 4 13.925 -26.445 -6.906 1.00 3.47 H new ATOM 0 HB3 SER A 4 12.345 -26.664 -6.180 1.00 3.47 H new ATOM 0 HG SER A 4 14.061 -27.432 -4.795 1.00 4.17 H new ATOM 49 N ILE A 5 11.900 -27.209 -9.877 1.00 3.27 N ATOM 50 CA ILE A 5 10.891 -26.586 -10.782 1.00 2.95 C ATOM 51 C ILE A 5 9.833 -27.619 -11.170 1.00 2.88 C ATOM 52 O ILE A 5 9.579 -28.557 -10.439 1.00 2.98 O ATOM 53 CB ILE A 5 11.694 -26.150 -12.011 1.00 3.04 C ATOM 54 CG1 ILE A 5 12.100 -27.404 -12.813 1.00 3.30 C ATOM 55 CG2 ILE A 5 12.933 -25.355 -11.560 1.00 3.20 C ATOM 56 CD1 ILE A 5 13.458 -27.198 -13.464 1.00 3.67 C ATOM 0 H ILE A 5 12.780 -27.450 -10.334 1.00 3.27 H new ATOM 0 HA ILE A 5 10.366 -25.751 -10.318 1.00 2.95 H new ATOM 0 HB ILE A 5 11.091 -25.505 -12.650 1.00 3.04 H new ATOM 0 HG12 ILE A 5 12.133 -28.271 -12.153 1.00 3.30 H new ATOM 0 HG13 ILE A 5 11.351 -27.614 -13.577 1.00 3.30 H new ATOM 0 HG21 ILE A 5 13.504 -25.045 -12.435 1.00 3.20 H new ATOM 0 HG22 ILE A 5 12.617 -24.474 -11.002 1.00 3.20 H new ATOM 0 HG23 ILE A 5 13.556 -25.983 -10.923 1.00 3.20 H new ATOM 0 HD11 ILE A 5 13.731 -28.091 -14.026 1.00 3.67 H new ATOM 0 HD12 ILE A 5 13.412 -26.344 -14.139 1.00 3.67 H new ATOM 0 HD13 ILE A 5 14.206 -27.011 -12.694 1.00 3.67 H new ATOM 68 N MET A 6 9.209 -27.450 -12.316 1.00 2.82 N ATOM 69 CA MET A 6 8.150 -28.422 -12.738 1.00 2.86 C ATOM 70 C MET A 6 7.157 -28.609 -11.579 1.00 2.67 C ATOM 71 O MET A 6 6.512 -29.632 -11.454 1.00 2.78 O ATOM 72 CB MET A 6 8.906 -29.727 -13.021 1.00 3.22 C ATOM 73 CG MET A 6 8.784 -30.103 -14.501 1.00 3.60 C ATOM 74 SD MET A 6 9.329 -31.811 -14.734 1.00 4.22 S ATOM 75 CE MET A 6 8.508 -32.082 -16.326 1.00 4.83 C ATOM 0 H MET A 6 9.386 -26.688 -12.970 1.00 2.82 H new ATOM 0 HA MET A 6 7.584 -28.091 -13.609 1.00 2.86 H new ATOM 0 HB2 MET A 6 9.956 -29.612 -12.754 1.00 3.22 H new ATOM 0 HB3 MET A 6 8.505 -30.529 -12.401 1.00 3.22 H new ATOM 0 HG2 MET A 6 7.752 -29.991 -14.832 1.00 3.60 H new ATOM 0 HG3 MET A 6 9.389 -29.431 -15.109 1.00 3.60 H new ATOM 0 HE1 MET A 6 8.710 -33.096 -16.672 1.00 4.83 H new ATOM 0 HE2 MET A 6 7.433 -31.946 -16.209 1.00 4.83 H new ATOM 0 HE3 MET A 6 8.886 -31.367 -17.057 1.00 4.83 H new ATOM 85 N ASP A 7 7.053 -27.617 -10.722 1.00 2.44 N ATOM 86 CA ASP A 7 6.138 -27.709 -9.548 1.00 2.30 C ATOM 87 C ASP A 7 4.697 -27.955 -10.012 1.00 2.13 C ATOM 88 O ASP A 7 3.914 -28.564 -9.307 1.00 2.08 O ATOM 89 CB ASP A 7 6.301 -26.349 -8.848 1.00 2.20 C ATOM 90 CG ASP A 7 5.057 -26.012 -8.030 1.00 2.57 C ATOM 91 OD1 ASP A 7 4.844 -26.657 -7.021 1.00 2.74 O ATOM 92 OD2 ASP A 7 4.346 -25.107 -8.422 1.00 2.92 O ATOM 0 H ASP A 7 7.571 -26.741 -10.792 1.00 2.44 H new ATOM 0 HA ASP A 7 6.370 -28.537 -8.879 1.00 2.30 H new ATOM 0 HB2 ASP A 7 7.175 -26.371 -8.197 1.00 2.20 H new ATOM 0 HB3 ASP A 7 6.476 -25.571 -9.591 1.00 2.20 H new ATOM 97 N HIS A 8 4.353 -27.481 -11.193 1.00 2.13 N ATOM 98 CA HIS A 8 2.971 -27.668 -11.745 1.00 2.12 C ATOM 99 C HIS A 8 1.983 -26.682 -11.090 1.00 2.08 C ATOM 100 O HIS A 8 0.794 -26.719 -11.354 1.00 2.16 O ATOM 101 CB HIS A 8 2.597 -29.123 -11.433 1.00 2.18 C ATOM 102 CG HIS A 8 1.559 -29.597 -12.402 1.00 2.35 C ATOM 103 ND1 HIS A 8 0.406 -28.877 -12.648 1.00 2.45 N ATOM 104 CD2 HIS A 8 1.487 -30.711 -13.196 1.00 2.61 C ATOM 105 CE1 HIS A 8 -0.311 -29.559 -13.561 1.00 2.73 C ATOM 106 NE2 HIS A 8 0.306 -30.687 -13.929 1.00 2.83 N ATOM 0 H HIS A 8 4.985 -26.964 -11.805 1.00 2.13 H new ATOM 0 HA HIS A 8 2.931 -27.470 -12.816 1.00 2.12 H new ATOM 0 HB2 HIS A 8 3.482 -29.757 -11.494 1.00 2.18 H new ATOM 0 HB3 HIS A 8 2.219 -29.201 -10.414 1.00 2.18 H new ATOM 0 HD1 HIS A 8 0.145 -27.990 -12.217 1.00 2.45 H new ATOM 0 HD2 HIS A 8 2.234 -31.489 -13.245 1.00 2.61 H new ATOM 0 HE1 HIS A 8 -1.266 -29.235 -13.948 1.00 2.73 H new ATOM 114 N SER A 9 2.474 -25.797 -10.247 1.00 2.07 N ATOM 115 CA SER A 9 1.597 -24.793 -9.565 1.00 2.15 C ATOM 116 C SER A 9 0.338 -25.438 -8.947 1.00 2.22 C ATOM 117 O SER A 9 -0.754 -24.933 -9.130 1.00 2.41 O ATOM 118 CB SER A 9 1.217 -23.800 -10.665 1.00 2.31 C ATOM 119 OG SER A 9 0.850 -22.561 -10.070 1.00 2.57 O ATOM 0 H SER A 9 3.462 -25.730 -10.002 1.00 2.07 H new ATOM 0 HA SER A 9 2.113 -24.319 -8.730 1.00 2.15 H new ATOM 0 HB2 SER A 9 2.055 -23.656 -11.347 1.00 2.31 H new ATOM 0 HB3 SER A 9 0.390 -24.193 -11.256 1.00 2.31 H new ATOM 0 HG SER A 9 0.607 -21.921 -10.771 1.00 2.57 H new ATOM 125 N PRO A 10 0.524 -26.520 -8.215 1.00 2.17 N ATOM 126 CA PRO A 10 -0.628 -27.193 -7.567 1.00 2.31 C ATOM 127 C PRO A 10 -0.993 -26.461 -6.268 1.00 2.41 C ATOM 128 O PRO A 10 -2.142 -26.167 -6.002 1.00 2.85 O ATOM 129 CB PRO A 10 -0.106 -28.599 -7.283 1.00 2.27 C ATOM 130 CG PRO A 10 1.385 -28.464 -7.186 1.00 2.14 C ATOM 131 CD PRO A 10 1.791 -27.211 -7.929 1.00 2.08 C ATOM 0 HA PRO A 10 -1.531 -27.203 -8.177 1.00 2.31 H new ATOM 0 HB2 PRO A 10 -0.525 -28.993 -6.357 1.00 2.27 H new ATOM 0 HB3 PRO A 10 -0.386 -29.289 -8.079 1.00 2.27 H new ATOM 0 HG2 PRO A 10 1.695 -28.406 -6.143 1.00 2.14 H new ATOM 0 HG3 PRO A 10 1.875 -29.337 -7.616 1.00 2.14 H new ATOM 0 HD2 PRO A 10 2.453 -26.590 -7.326 1.00 2.08 H new ATOM 0 HD3 PRO A 10 2.327 -27.451 -8.847 1.00 2.08 H new ATOM 139 N THR A 11 -0.003 -26.161 -5.476 1.00 2.13 N ATOM 140 CA THR A 11 -0.229 -25.434 -4.186 1.00 2.29 C ATOM 141 C THR A 11 0.981 -24.537 -3.874 1.00 2.39 C ATOM 142 O THR A 11 0.830 -23.388 -3.510 1.00 2.35 O ATOM 143 CB THR A 11 -0.402 -26.524 -3.116 1.00 2.57 C ATOM 144 OG1 THR A 11 -0.481 -25.913 -1.838 1.00 2.74 O ATOM 145 CG2 THR A 11 0.784 -27.491 -3.134 1.00 2.79 C ATOM 0 H THR A 11 0.972 -26.391 -5.667 1.00 2.13 H new ATOM 0 HA THR A 11 -1.104 -24.786 -4.226 1.00 2.29 H new ATOM 0 HB THR A 11 -1.315 -27.081 -3.328 1.00 2.57 H new ATOM 0 HG1 THR A 11 -0.593 -26.603 -1.152 1.00 2.74 H new ATOM 0 HG21 THR A 11 0.642 -28.255 -2.369 1.00 2.79 H new ATOM 0 HG22 THR A 11 0.852 -27.966 -4.113 1.00 2.79 H new ATOM 0 HG23 THR A 11 1.704 -26.942 -2.933 1.00 2.79 H new ATOM 153 N THR A 12 2.180 -25.050 -4.037 1.00 2.58 N ATOM 154 CA THR A 12 3.417 -24.240 -3.771 1.00 2.77 C ATOM 155 C THR A 12 3.411 -22.963 -4.620 1.00 2.54 C ATOM 156 O THR A 12 3.677 -21.874 -4.135 1.00 2.62 O ATOM 157 CB THR A 12 4.592 -25.159 -4.167 1.00 3.03 C ATOM 158 OG1 THR A 12 4.089 -26.370 -4.725 1.00 3.04 O ATOM 159 CG2 THR A 12 5.430 -25.497 -2.932 1.00 3.38 C ATOM 0 H THR A 12 2.357 -26.006 -4.346 1.00 2.58 H new ATOM 0 HA THR A 12 3.487 -23.922 -2.731 1.00 2.77 H new ATOM 0 HB THR A 12 5.210 -24.641 -4.900 1.00 3.03 H new ATOM 0 HG1 THR A 12 3.897 -26.237 -5.677 1.00 3.04 H new ATOM 0 HG21 THR A 12 6.257 -26.146 -3.220 1.00 3.38 H new ATOM 0 HG22 THR A 12 5.824 -24.578 -2.497 1.00 3.38 H new ATOM 0 HG23 THR A 12 4.807 -26.008 -2.198 1.00 3.38 H new ATOM 167 N GLY A 13 3.091 -23.087 -5.880 1.00 2.33 N ATOM 168 CA GLY A 13 3.038 -21.888 -6.778 1.00 2.20 C ATOM 169 C GLY A 13 1.967 -20.922 -6.267 1.00 1.95 C ATOM 170 O GLY A 13 2.206 -19.741 -6.107 1.00 1.96 O ATOM 0 H GLY A 13 2.862 -23.972 -6.332 1.00 2.33 H new ATOM 0 HA2 GLY A 13 4.009 -21.393 -6.801 1.00 2.20 H new ATOM 0 HA3 GLY A 13 2.811 -22.194 -7.799 1.00 2.20 H new ATOM 174 N VAL A 14 0.792 -21.426 -5.988 1.00 1.78 N ATOM 175 CA VAL A 14 -0.307 -20.555 -5.462 1.00 1.67 C ATOM 176 C VAL A 14 0.103 -19.955 -4.107 1.00 1.81 C ATOM 177 O VAL A 14 -0.202 -18.817 -3.801 1.00 1.78 O ATOM 178 CB VAL A 14 -1.511 -21.495 -5.300 1.00 1.69 C ATOM 179 CG1 VAL A 14 -2.638 -20.779 -4.550 1.00 1.79 C ATOM 180 CG2 VAL A 14 -2.022 -21.923 -6.679 1.00 1.64 C ATOM 0 H VAL A 14 0.544 -22.409 -6.102 1.00 1.78 H new ATOM 0 HA VAL A 14 -0.533 -19.719 -6.124 1.00 1.67 H new ATOM 0 HB VAL A 14 -1.198 -22.372 -4.734 1.00 1.69 H new ATOM 0 HG11 VAL A 14 -3.487 -21.453 -4.440 1.00 1.79 H new ATOM 0 HG12 VAL A 14 -2.284 -20.477 -3.564 1.00 1.79 H new ATOM 0 HG13 VAL A 14 -2.945 -19.897 -5.111 1.00 1.79 H new ATOM 0 HG21 VAL A 14 -2.876 -22.590 -6.560 1.00 1.64 H new ATOM 0 HG22 VAL A 14 -2.326 -21.042 -7.244 1.00 1.64 H new ATOM 0 HG23 VAL A 14 -1.228 -22.443 -7.216 1.00 1.64 H new ATOM 190 N VAL A 15 0.796 -20.711 -3.294 1.00 2.05 N ATOM 191 CA VAL A 15 1.227 -20.186 -1.960 1.00 2.29 C ATOM 192 C VAL A 15 2.301 -19.113 -2.130 1.00 2.30 C ATOM 193 O VAL A 15 2.190 -18.021 -1.602 1.00 2.30 O ATOM 194 CB VAL A 15 1.779 -21.404 -1.203 1.00 2.60 C ATOM 195 CG1 VAL A 15 2.588 -20.943 0.013 1.00 2.93 C ATOM 196 CG2 VAL A 15 0.620 -22.285 -0.727 1.00 2.68 C ATOM 0 H VAL A 15 1.083 -21.669 -3.495 1.00 2.05 H new ATOM 0 HA VAL A 15 0.405 -19.718 -1.419 1.00 2.29 H new ATOM 0 HB VAL A 15 2.423 -21.972 -1.874 1.00 2.60 H new ATOM 0 HG11 VAL A 15 2.975 -21.813 0.543 1.00 2.93 H new ATOM 0 HG12 VAL A 15 3.419 -20.320 -0.318 1.00 2.93 H new ATOM 0 HG13 VAL A 15 1.946 -20.367 0.680 1.00 2.93 H new ATOM 0 HG21 VAL A 15 1.015 -23.148 -0.191 1.00 2.68 H new ATOM 0 HG22 VAL A 15 -0.026 -21.710 -0.063 1.00 2.68 H new ATOM 0 HG23 VAL A 15 0.044 -22.625 -1.588 1.00 2.68 H new ATOM 206 N THR A 16 3.332 -19.418 -2.868 1.00 2.36 N ATOM 207 CA THR A 16 4.430 -18.428 -3.093 1.00 2.45 C ATOM 208 C THR A 16 3.863 -17.131 -3.670 1.00 2.19 C ATOM 209 O THR A 16 4.132 -16.056 -3.172 1.00 2.22 O ATOM 210 CB THR A 16 5.399 -19.097 -4.076 1.00 2.61 C ATOM 211 OG1 THR A 16 4.683 -19.595 -5.196 1.00 2.35 O ATOM 212 CG2 THR A 16 6.128 -20.248 -3.382 1.00 2.98 C ATOM 0 H THR A 16 3.465 -20.318 -3.330 1.00 2.36 H new ATOM 0 HA THR A 16 4.936 -18.161 -2.165 1.00 2.45 H new ATOM 0 HB THR A 16 6.127 -18.360 -4.414 1.00 2.61 H new ATOM 0 HG1 THR A 16 4.373 -20.506 -5.008 1.00 2.35 H new ATOM 0 HG21 THR A 16 6.815 -20.720 -4.085 1.00 2.98 H new ATOM 0 HG22 THR A 16 6.688 -19.863 -2.530 1.00 2.98 H new ATOM 0 HG23 THR A 16 5.401 -20.983 -3.036 1.00 2.98 H new ATOM 220 N VAL A 17 3.067 -17.217 -4.699 1.00 1.97 N ATOM 221 CA VAL A 17 2.477 -15.973 -5.279 1.00 1.79 C ATOM 222 C VAL A 17 1.529 -15.314 -4.262 1.00 1.68 C ATOM 223 O VAL A 17 1.456 -14.106 -4.182 1.00 1.63 O ATOM 224 CB VAL A 17 1.727 -16.395 -6.551 1.00 1.71 C ATOM 225 CG1 VAL A 17 2.690 -17.073 -7.528 1.00 1.91 C ATOM 226 CG2 VAL A 17 0.591 -17.362 -6.212 1.00 1.61 C ATOM 0 H VAL A 17 2.800 -18.086 -5.162 1.00 1.97 H new ATOM 0 HA VAL A 17 3.245 -15.238 -5.518 1.00 1.79 H new ATOM 0 HB VAL A 17 1.308 -15.500 -7.011 1.00 1.71 H new ATOM 0 HG11 VAL A 17 2.148 -17.368 -8.427 1.00 1.91 H new ATOM 0 HG12 VAL A 17 3.486 -16.378 -7.796 1.00 1.91 H new ATOM 0 HG13 VAL A 17 3.123 -17.956 -7.058 1.00 1.91 H new ATOM 0 HG21 VAL A 17 0.072 -17.649 -7.127 1.00 1.61 H new ATOM 0 HG22 VAL A 17 1.001 -18.251 -5.733 1.00 1.61 H new ATOM 0 HG23 VAL A 17 -0.111 -16.876 -5.534 1.00 1.61 H new ATOM 236 N ILE A 18 0.814 -16.091 -3.471 1.00 1.74 N ATOM 237 CA ILE A 18 -0.108 -15.476 -2.458 1.00 1.80 C ATOM 238 C ILE A 18 0.692 -14.770 -1.370 1.00 1.97 C ATOM 239 O ILE A 18 0.421 -13.632 -1.050 1.00 1.93 O ATOM 240 CB ILE A 18 -0.940 -16.638 -1.890 1.00 1.96 C ATOM 241 CG1 ILE A 18 -2.108 -16.938 -2.837 1.00 1.86 C ATOM 242 CG2 ILE A 18 -1.495 -16.271 -0.509 1.00 2.25 C ATOM 243 CD1 ILE A 18 -3.091 -15.762 -2.846 1.00 1.95 C ATOM 0 H ILE A 18 0.830 -17.111 -3.484 1.00 1.74 H new ATOM 0 HA ILE A 18 -0.754 -14.717 -2.900 1.00 1.80 H new ATOM 0 HB ILE A 18 -0.300 -17.515 -1.796 1.00 1.96 H new ATOM 0 HG12 ILE A 18 -1.733 -17.117 -3.845 1.00 1.86 H new ATOM 0 HG13 ILE A 18 -2.619 -17.847 -2.521 1.00 1.86 H new ATOM 0 HG21 ILE A 18 -2.082 -17.103 -0.120 1.00 2.25 H new ATOM 0 HG22 ILE A 18 -0.669 -16.060 0.171 1.00 2.25 H new ATOM 0 HG23 ILE A 18 -2.129 -15.389 -0.594 1.00 2.25 H new ATOM 0 HD11 ILE A 18 -3.917 -15.984 -3.521 1.00 1.95 H new ATOM 0 HD12 ILE A 18 -3.478 -15.603 -1.839 1.00 1.95 H new ATOM 0 HD13 ILE A 18 -2.578 -14.862 -3.184 1.00 1.95 H new ATOM 255 N VAL A 19 1.680 -15.408 -0.810 1.00 2.19 N ATOM 256 CA VAL A 19 2.484 -14.717 0.240 1.00 2.41 C ATOM 257 C VAL A 19 3.193 -13.508 -0.389 1.00 2.27 C ATOM 258 O VAL A 19 3.295 -12.457 0.218 1.00 2.31 O ATOM 259 CB VAL A 19 3.482 -15.753 0.787 1.00 2.72 C ATOM 260 CG1 VAL A 19 2.726 -16.947 1.374 1.00 2.87 C ATOM 261 CG2 VAL A 19 4.417 -16.246 -0.319 1.00 2.69 C ATOM 0 H VAL A 19 1.964 -16.363 -1.028 1.00 2.19 H new ATOM 0 HA VAL A 19 1.868 -14.340 1.057 1.00 2.41 H new ATOM 0 HB VAL A 19 4.076 -15.273 1.564 1.00 2.72 H new ATOM 0 HG11 VAL A 19 3.439 -17.676 1.759 1.00 2.87 H new ATOM 0 HG12 VAL A 19 2.082 -16.607 2.185 1.00 2.87 H new ATOM 0 HG13 VAL A 19 2.118 -17.410 0.597 1.00 2.87 H new ATOM 0 HG21 VAL A 19 5.113 -16.977 0.092 1.00 2.69 H new ATOM 0 HG22 VAL A 19 3.830 -16.710 -1.112 1.00 2.69 H new ATOM 0 HG23 VAL A 19 4.975 -15.403 -0.726 1.00 2.69 H new ATOM 271 N ILE A 20 3.641 -13.632 -1.620 1.00 2.15 N ATOM 272 CA ILE A 20 4.294 -12.470 -2.299 1.00 2.10 C ATOM 273 C ILE A 20 3.247 -11.380 -2.518 1.00 1.85 C ATOM 274 O ILE A 20 3.452 -10.229 -2.179 1.00 1.86 O ATOM 275 CB ILE A 20 4.822 -13.014 -3.636 1.00 2.14 C ATOM 276 CG1 ILE A 20 6.055 -13.880 -3.373 1.00 2.46 C ATOM 277 CG2 ILE A 20 5.211 -11.853 -4.559 1.00 2.15 C ATOM 278 CD1 ILE A 20 6.455 -14.619 -4.655 1.00 2.58 C ATOM 0 H ILE A 20 3.582 -14.484 -2.178 1.00 2.15 H new ATOM 0 HA ILE A 20 5.106 -12.035 -1.716 1.00 2.10 H new ATOM 0 HB ILE A 20 4.043 -13.607 -4.115 1.00 2.14 H new ATOM 0 HG12 ILE A 20 6.881 -13.258 -3.029 1.00 2.46 H new ATOM 0 HG13 ILE A 20 5.844 -14.597 -2.580 1.00 2.46 H new ATOM 0 HG21 ILE A 20 5.584 -12.249 -5.504 1.00 2.15 H new ATOM 0 HG22 ILE A 20 4.337 -11.229 -4.747 1.00 2.15 H new ATOM 0 HG23 ILE A 20 5.989 -11.255 -4.084 1.00 2.15 H new ATOM 0 HD11 ILE A 20 7.334 -15.234 -4.461 1.00 2.58 H new ATOM 0 HD12 ILE A 20 5.632 -15.255 -4.980 1.00 2.58 H new ATOM 0 HD13 ILE A 20 6.684 -13.894 -5.436 1.00 2.58 H new ATOM 290 N LEU A 21 2.115 -11.747 -3.052 1.00 1.69 N ATOM 291 CA LEU A 21 1.024 -10.748 -3.266 1.00 1.56 C ATOM 292 C LEU A 21 0.643 -10.132 -1.917 1.00 1.65 C ATOM 293 O LEU A 21 0.589 -8.924 -1.769 1.00 1.63 O ATOM 294 CB LEU A 21 -0.149 -11.542 -3.854 1.00 1.53 C ATOM 295 CG LEU A 21 0.009 -11.644 -5.372 1.00 1.54 C ATOM 296 CD1 LEU A 21 -0.859 -12.787 -5.900 1.00 1.60 C ATOM 297 CD2 LEU A 21 -0.435 -10.332 -6.021 1.00 1.66 C ATOM 0 H LEU A 21 1.896 -12.697 -3.351 1.00 1.69 H new ATOM 0 HA LEU A 21 1.318 -9.935 -3.930 1.00 1.56 H new ATOM 0 HB2 LEU A 21 -0.183 -12.539 -3.414 1.00 1.53 H new ATOM 0 HB3 LEU A 21 -1.092 -11.053 -3.609 1.00 1.53 H new ATOM 0 HG LEU A 21 1.054 -11.836 -5.614 1.00 1.54 H new ATOM 0 HD11 LEU A 21 -0.746 -12.860 -6.982 1.00 1.60 H new ATOM 0 HD12 LEU A 21 -0.547 -13.724 -5.439 1.00 1.60 H new ATOM 0 HD13 LEU A 21 -1.904 -12.593 -5.656 1.00 1.60 H new ATOM 0 HD21 LEU A 21 -0.322 -10.405 -7.103 1.00 1.66 H new ATOM 0 HD22 LEU A 21 -1.480 -10.141 -5.777 1.00 1.66 H new ATOM 0 HD23 LEU A 21 0.181 -9.514 -5.646 1.00 1.66 H new ATOM 309 N ILE A 22 0.411 -10.961 -0.923 1.00 1.83 N ATOM 310 CA ILE A 22 0.066 -10.427 0.431 1.00 2.04 C ATOM 311 C ILE A 22 1.173 -9.474 0.902 1.00 2.08 C ATOM 312 O ILE A 22 0.907 -8.400 1.411 1.00 2.11 O ATOM 313 CB ILE A 22 -0.031 -11.660 1.343 1.00 2.31 C ATOM 314 CG1 ILE A 22 -1.383 -12.350 1.129 1.00 2.38 C ATOM 315 CG2 ILE A 22 0.087 -11.235 2.811 1.00 2.66 C ATOM 316 CD1 ILE A 22 -1.347 -13.751 1.747 1.00 2.63 C ATOM 0 H ILE A 22 0.446 -11.978 -0.993 1.00 1.83 H new ATOM 0 HA ILE A 22 -0.866 -9.862 0.436 1.00 2.04 H new ATOM 0 HB ILE A 22 0.779 -12.347 1.098 1.00 2.31 H new ATOM 0 HG12 ILE A 22 -2.180 -11.761 1.584 1.00 2.38 H new ATOM 0 HG13 ILE A 22 -1.604 -12.417 0.064 1.00 2.38 H new ATOM 0 HG21 ILE A 22 0.017 -12.114 3.451 1.00 2.66 H new ATOM 0 HG22 ILE A 22 1.047 -10.744 2.972 1.00 2.66 H new ATOM 0 HG23 ILE A 22 -0.719 -10.543 3.056 1.00 2.66 H new ATOM 0 HD11 ILE A 22 -2.309 -14.241 1.594 1.00 2.63 H new ATOM 0 HD12 ILE A 22 -0.561 -14.338 1.272 1.00 2.63 H new ATOM 0 HD13 ILE A 22 -1.145 -13.672 2.815 1.00 2.63 H new ATOM 328 N ALA A 23 2.411 -9.851 0.710 1.00 2.12 N ATOM 329 CA ALA A 23 3.542 -8.963 1.124 1.00 2.23 C ATOM 330 C ALA A 23 3.513 -7.669 0.300 1.00 2.01 C ATOM 331 O ALA A 23 3.625 -6.583 0.839 1.00 2.05 O ATOM 332 CB ALA A 23 4.816 -9.766 0.842 1.00 2.41 C ATOM 0 H ALA A 23 2.689 -10.735 0.284 1.00 2.12 H new ATOM 0 HA ALA A 23 3.482 -8.675 2.173 1.00 2.23 H new ATOM 0 HB1 ALA A 23 5.688 -9.175 1.122 1.00 2.41 H new ATOM 0 HB2 ALA A 23 4.801 -10.688 1.423 1.00 2.41 H new ATOM 0 HB3 ALA A 23 4.867 -10.007 -0.220 1.00 2.41 H new ATOM 338 N ILE A 24 3.337 -7.774 -0.997 1.00 1.82 N ATOM 339 CA ILE A 24 3.272 -6.543 -1.849 1.00 1.69 C ATOM 340 C ILE A 24 2.116 -5.660 -1.364 1.00 1.58 C ATOM 341 O ILE A 24 2.270 -4.465 -1.177 1.00 1.56 O ATOM 342 CB ILE A 24 3.014 -7.051 -3.276 1.00 1.64 C ATOM 343 CG1 ILE A 24 4.285 -7.711 -3.821 1.00 1.84 C ATOM 344 CG2 ILE A 24 2.624 -5.881 -4.186 1.00 1.64 C ATOM 345 CD1 ILE A 24 3.933 -8.564 -5.043 1.00 1.84 C ATOM 0 H ILE A 24 3.236 -8.655 -1.500 1.00 1.82 H new ATOM 0 HA ILE A 24 4.183 -5.946 -1.804 1.00 1.69 H new ATOM 0 HB ILE A 24 2.201 -7.777 -3.253 1.00 1.64 H new ATOM 0 HG12 ILE A 24 5.015 -6.949 -4.094 1.00 1.84 H new ATOM 0 HG13 ILE A 24 4.744 -8.331 -3.051 1.00 1.84 H new ATOM 0 HG21 ILE A 24 2.443 -6.250 -5.196 1.00 1.64 H new ATOM 0 HG22 ILE A 24 1.719 -5.409 -3.804 1.00 1.64 H new ATOM 0 HG23 ILE A 24 3.433 -5.151 -4.206 1.00 1.64 H new ATOM 0 HD11 ILE A 24 4.837 -9.034 -5.431 1.00 1.84 H new ATOM 0 HD12 ILE A 24 3.218 -9.335 -4.755 1.00 1.84 H new ATOM 0 HD13 ILE A 24 3.493 -7.931 -5.814 1.00 1.84 H new ATOM 357 N ALA A 25 0.964 -6.249 -1.135 1.00 1.61 N ATOM 358 CA ALA A 25 -0.203 -5.458 -0.639 1.00 1.67 C ATOM 359 C ALA A 25 0.110 -4.882 0.745 1.00 1.82 C ATOM 360 O ALA A 25 -0.123 -3.715 1.007 1.00 1.83 O ATOM 361 CB ALA A 25 -1.364 -6.455 -0.572 1.00 1.81 C ATOM 0 H ALA A 25 0.785 -7.244 -1.271 1.00 1.61 H new ATOM 0 HA ALA A 25 -0.442 -4.614 -1.286 1.00 1.67 H new ATOM 0 HB1 ALA A 25 -2.260 -5.947 -0.215 1.00 1.81 H new ATOM 0 HB2 ALA A 25 -1.550 -6.864 -1.565 1.00 1.81 H new ATOM 0 HB3 ALA A 25 -1.109 -7.265 0.112 1.00 1.81 H new ATOM 367 N ALA A 26 0.660 -5.683 1.620 1.00 1.98 N ATOM 368 CA ALA A 26 1.020 -5.179 2.982 1.00 2.20 C ATOM 369 C ALA A 26 2.029 -4.032 2.848 1.00 2.10 C ATOM 370 O ALA A 26 1.901 -3.002 3.485 1.00 2.15 O ATOM 371 CB ALA A 26 1.642 -6.378 3.705 1.00 2.45 C ATOM 0 H ALA A 26 0.876 -6.665 1.452 1.00 1.98 H new ATOM 0 HA ALA A 26 0.161 -4.792 3.530 1.00 2.20 H new ATOM 0 HB1 ALA A 26 1.932 -6.084 4.714 1.00 2.45 H new ATOM 0 HB2 ALA A 26 0.915 -7.188 3.758 1.00 2.45 H new ATOM 0 HB3 ALA A 26 2.522 -6.716 3.158 1.00 2.45 H new ATOM 377 N LEU A 27 3.014 -4.195 1.994 1.00 2.01 N ATOM 378 CA LEU A 27 4.015 -3.107 1.781 1.00 1.98 C ATOM 379 C LEU A 27 3.300 -1.882 1.204 1.00 1.77 C ATOM 380 O LEU A 27 3.474 -0.772 1.677 1.00 1.80 O ATOM 381 CB LEU A 27 5.029 -3.679 0.781 1.00 1.99 C ATOM 382 CG LEU A 27 5.883 -2.544 0.208 1.00 1.99 C ATOM 383 CD1 LEU A 27 7.364 -2.896 0.343 1.00 2.36 C ATOM 384 CD2 LEU A 27 5.542 -2.340 -1.271 1.00 1.90 C ATOM 0 H LEU A 27 3.165 -5.036 1.437 1.00 2.01 H new ATOM 0 HA LEU A 27 4.510 -2.794 2.701 1.00 1.98 H new ATOM 0 HB2 LEU A 27 5.666 -4.414 1.274 1.00 1.99 H new ATOM 0 HB3 LEU A 27 4.508 -4.198 -0.024 1.00 1.99 H new ATOM 0 HG LEU A 27 5.676 -1.626 0.759 1.00 1.99 H new ATOM 0 HD11 LEU A 27 7.969 -2.087 -0.066 1.00 2.36 H new ATOM 0 HD12 LEU A 27 7.610 -3.037 1.395 1.00 2.36 H new ATOM 0 HD13 LEU A 27 7.571 -3.816 -0.205 1.00 2.36 H new ATOM 0 HD21 LEU A 27 6.151 -1.532 -1.677 1.00 1.90 H new ATOM 0 HD22 LEU A 27 5.745 -3.259 -1.821 1.00 1.90 H new ATOM 0 HD23 LEU A 27 4.487 -2.084 -1.369 1.00 1.90 H new ATOM 396 N GLY A 28 2.473 -2.080 0.201 1.00 1.60 N ATOM 397 CA GLY A 28 1.722 -0.931 -0.388 1.00 1.48 C ATOM 398 C GLY A 28 0.880 -0.280 0.714 1.00 1.58 C ATOM 399 O GLY A 28 0.807 0.930 0.816 1.00 1.57 O ATOM 0 H GLY A 28 2.289 -2.986 -0.231 1.00 1.60 H new ATOM 0 HA2 GLY A 28 2.415 -0.205 -0.813 1.00 1.48 H new ATOM 0 HA3 GLY A 28 1.081 -1.274 -1.200 1.00 1.48 H new ATOM 403 N ALA A 29 0.260 -1.078 1.552 1.00 1.75 N ATOM 404 CA ALA A 29 -0.563 -0.510 2.663 1.00 1.96 C ATOM 405 C ALA A 29 0.331 0.232 3.661 1.00 2.03 C ATOM 406 O ALA A 29 0.043 1.349 4.055 1.00 2.08 O ATOM 407 CB ALA A 29 -1.233 -1.721 3.320 1.00 2.18 C ATOM 0 H ALA A 29 0.290 -2.097 1.513 1.00 1.75 H new ATOM 0 HA ALA A 29 -1.297 0.213 2.308 1.00 1.96 H new ATOM 0 HB1 ALA A 29 -1.857 -1.386 4.149 1.00 2.18 H new ATOM 0 HB2 ALA A 29 -1.851 -2.238 2.586 1.00 2.18 H new ATOM 0 HB3 ALA A 29 -0.468 -2.402 3.694 1.00 2.18 H new ATOM 413 N LEU A 30 1.419 -0.375 4.057 1.00 2.09 N ATOM 414 CA LEU A 30 2.352 0.291 5.022 1.00 2.24 C ATOM 415 C LEU A 30 2.916 1.577 4.395 1.00 2.03 C ATOM 416 O LEU A 30 3.077 2.579 5.067 1.00 2.10 O ATOM 417 CB LEU A 30 3.451 -0.757 5.324 1.00 2.43 C ATOM 418 CG LEU A 30 4.772 -0.420 4.613 1.00 2.40 C ATOM 419 CD1 LEU A 30 5.521 0.662 5.393 1.00 2.56 C ATOM 420 CD2 LEU A 30 5.641 -1.677 4.549 1.00 2.61 C ATOM 0 H LEU A 30 1.705 -1.306 3.754 1.00 2.09 H new ATOM 0 HA LEU A 30 1.862 0.599 5.946 1.00 2.24 H new ATOM 0 HB2 LEU A 30 3.620 -0.807 6.400 1.00 2.43 H new ATOM 0 HB3 LEU A 30 3.110 -1.743 5.009 1.00 2.43 H new ATOM 0 HG LEU A 30 4.557 -0.059 3.607 1.00 2.40 H new ATOM 0 HD11 LEU A 30 6.456 0.896 4.884 1.00 2.56 H new ATOM 0 HD12 LEU A 30 4.906 1.560 5.452 1.00 2.56 H new ATOM 0 HD13 LEU A 30 5.736 0.302 6.399 1.00 2.56 H new ATOM 0 HD21 LEU A 30 6.580 -1.445 4.046 1.00 2.61 H new ATOM 0 HD22 LEU A 30 5.848 -2.028 5.560 1.00 2.61 H new ATOM 0 HD23 LEU A 30 5.115 -2.455 3.996 1.00 2.61 H new ATOM 432 N ILE A 31 3.188 1.566 3.111 1.00 1.83 N ATOM 433 CA ILE A 31 3.712 2.801 2.451 1.00 1.70 C ATOM 434 C ILE A 31 2.589 3.836 2.368 1.00 1.60 C ATOM 435 O ILE A 31 2.771 4.988 2.717 1.00 1.62 O ATOM 436 CB ILE A 31 4.177 2.356 1.056 1.00 1.62 C ATOM 437 CG1 ILE A 31 5.609 1.824 1.159 1.00 1.86 C ATOM 438 CG2 ILE A 31 4.150 3.545 0.086 1.00 1.67 C ATOM 439 CD1 ILE A 31 5.997 1.129 -0.146 1.00 1.91 C ATOM 0 H ILE A 31 3.070 0.760 2.497 1.00 1.83 H new ATOM 0 HA ILE A 31 4.534 3.262 2.998 1.00 1.70 H new ATOM 0 HB ILE A 31 3.510 1.578 0.684 1.00 1.62 H new ATOM 0 HG12 ILE A 31 6.298 2.644 1.364 1.00 1.86 H new ATOM 0 HG13 ILE A 31 5.688 1.125 1.992 1.00 1.86 H new ATOM 0 HG21 ILE A 31 4.481 3.218 -0.900 1.00 1.67 H new ATOM 0 HG22 ILE A 31 3.134 3.935 0.016 1.00 1.67 H new ATOM 0 HG23 ILE A 31 4.815 4.328 0.451 1.00 1.67 H new ATOM 0 HD11 ILE A 31 7.017 0.752 -0.068 1.00 1.91 H new ATOM 0 HD12 ILE A 31 5.316 0.298 -0.332 1.00 1.91 H new ATOM 0 HD13 ILE A 31 5.935 1.840 -0.969 1.00 1.91 H new ATOM 451 N LEU A 32 1.422 3.425 1.932 1.00 1.57 N ATOM 452 CA LEU A 32 0.274 4.375 1.850 1.00 1.62 C ATOM 453 C LEU A 32 -0.016 4.956 3.238 1.00 1.77 C ATOM 454 O LEU A 32 -0.174 6.149 3.392 1.00 1.78 O ATOM 455 CB LEU A 32 -0.915 3.545 1.357 1.00 1.71 C ATOM 456 CG LEU A 32 -2.125 4.465 1.180 1.00 1.87 C ATOM 457 CD1 LEU A 32 -2.338 4.744 -0.305 1.00 2.01 C ATOM 458 CD2 LEU A 32 -3.368 3.792 1.760 1.00 2.27 C ATOM 0 H LEU A 32 1.218 2.472 1.630 1.00 1.57 H new ATOM 0 HA LEU A 32 0.479 5.211 1.182 1.00 1.62 H new ATOM 0 HB2 LEU A 32 -0.670 3.060 0.412 1.00 1.71 H new ATOM 0 HB3 LEU A 32 -1.144 2.754 2.071 1.00 1.71 H new ATOM 0 HG LEU A 32 -1.947 5.405 1.703 1.00 1.87 H new ATOM 0 HD11 LEU A 32 -3.200 5.399 -0.432 1.00 2.01 H new ATOM 0 HD12 LEU A 32 -1.451 5.227 -0.715 1.00 2.01 H new ATOM 0 HD13 LEU A 32 -2.515 3.805 -0.830 1.00 2.01 H new ATOM 0 HD21 LEU A 32 -4.229 4.448 1.634 1.00 2.27 H new ATOM 0 HD22 LEU A 32 -3.549 2.851 1.240 1.00 2.27 H new ATOM 0 HD23 LEU A 32 -3.214 3.596 2.821 1.00 2.27 H new ATOM 470 N GLY A 33 -0.074 4.120 4.249 1.00 1.96 N ATOM 471 CA GLY A 33 -0.339 4.626 5.632 1.00 2.19 C ATOM 472 C GLY A 33 0.769 5.601 6.036 1.00 2.14 C ATOM 473 O GLY A 33 0.514 6.750 6.343 1.00 2.18 O ATOM 0 H GLY A 33 0.051 3.110 4.175 1.00 1.96 H new ATOM 0 HA2 GLY A 33 -1.308 5.123 5.670 1.00 2.19 H new ATOM 0 HA3 GLY A 33 -0.380 3.793 6.334 1.00 2.19 H new ATOM 477 N CYS A 34 2.003 5.155 6.021 1.00 2.10 N ATOM 478 CA CYS A 34 3.138 6.063 6.391 1.00 2.12 C ATOM 479 C CYS A 34 3.090 7.348 5.546 1.00 1.90 C ATOM 480 O CYS A 34 3.291 8.442 6.044 1.00 1.94 O ATOM 481 CB CYS A 34 4.405 5.260 6.076 1.00 2.17 C ATOM 482 SG CYS A 34 5.658 5.573 7.345 1.00 3.03 S ATOM 0 H CYS A 34 2.274 4.204 5.769 1.00 2.10 H new ATOM 0 HA CYS A 34 3.098 6.370 7.436 1.00 2.12 H new ATOM 0 HB2 CYS A 34 4.172 4.196 6.036 1.00 2.17 H new ATOM 0 HB3 CYS A 34 4.790 5.539 5.095 1.00 2.17 H new ATOM 0 HG CYS A 34 6.730 4.888 7.075 1.00 3.03 H new ATOM 488 N TRP A 35 2.817 7.216 4.272 1.00 1.71 N ATOM 489 CA TRP A 35 2.748 8.411 3.376 1.00 1.56 C ATOM 490 C TRP A 35 1.550 9.307 3.738 1.00 1.62 C ATOM 491 O TRP A 35 1.703 10.481 4.002 1.00 1.66 O ATOM 492 CB TRP A 35 2.578 7.828 1.969 1.00 1.43 C ATOM 493 CG TRP A 35 2.824 8.893 0.956 1.00 1.30 C ATOM 494 CD1 TRP A 35 4.035 9.230 0.465 1.00 1.29 C ATOM 495 CD2 TRP A 35 1.858 9.768 0.303 1.00 1.35 C ATOM 496 NE1 TRP A 35 3.877 10.255 -0.445 1.00 1.28 N ATOM 497 CE2 TRP A 35 2.555 10.623 -0.580 1.00 1.32 C ATOM 498 CE3 TRP A 35 0.460 9.904 0.392 1.00 1.57 C ATOM 499 CZ2 TRP A 35 1.894 11.576 -1.349 1.00 1.48 C ATOM 500 CZ3 TRP A 35 -0.211 10.865 -0.383 1.00 1.75 C ATOM 501 CH2 TRP A 35 0.507 11.700 -1.251 1.00 1.70 C ATOM 0 H TRP A 35 2.638 6.324 3.811 1.00 1.71 H new ATOM 0 HA TRP A 35 3.634 9.039 3.464 1.00 1.56 H new ATOM 0 HB2 TRP A 35 3.273 7.002 1.820 1.00 1.43 H new ATOM 0 HB3 TRP A 35 1.573 7.424 1.850 1.00 1.43 H new ATOM 0 HD1 TRP A 35 4.974 8.772 0.739 1.00 1.29 H new ATOM 0 HE1 TRP A 35 4.646 10.688 -0.956 1.00 1.28 H new ATOM 0 HE3 TRP A 35 -0.100 9.266 1.060 1.00 1.57 H new ATOM 0 HZ2 TRP A 35 2.451 12.216 -2.018 1.00 1.48 H new ATOM 0 HZ3 TRP A 35 -1.284 10.961 -0.310 1.00 1.75 H new ATOM 0 HH2 TRP A 35 -0.013 12.439 -1.843 1.00 1.70 H new ATOM 512 N CYS A 36 0.363 8.760 3.738 1.00 1.72 N ATOM 513 CA CYS A 36 -0.857 9.571 4.067 1.00 1.88 C ATOM 514 C CYS A 36 -0.821 10.105 5.513 1.00 2.06 C ATOM 515 O CYS A 36 -1.468 11.089 5.825 1.00 2.23 O ATOM 516 CB CYS A 36 -2.029 8.602 3.882 1.00 2.06 C ATOM 517 SG CYS A 36 -3.208 9.288 2.692 1.00 2.38 S ATOM 0 H CYS A 36 0.180 7.780 3.523 1.00 1.72 H new ATOM 0 HA CYS A 36 -0.933 10.452 3.430 1.00 1.88 H new ATOM 0 HB2 CYS A 36 -1.663 7.637 3.531 1.00 2.06 H new ATOM 0 HB3 CYS A 36 -2.523 8.427 4.838 1.00 2.06 H new ATOM 0 HG CYS A 36 -4.199 8.461 2.537 1.00 2.38 H new ATOM 523 N TYR A 37 -0.093 9.467 6.399 1.00 2.16 N ATOM 524 CA TYR A 37 -0.046 9.950 7.820 1.00 2.38 C ATOM 525 C TYR A 37 1.211 10.797 8.083 1.00 2.31 C ATOM 526 O TYR A 37 1.132 11.867 8.655 1.00 2.42 O ATOM 527 CB TYR A 37 -0.022 8.677 8.673 1.00 2.62 C ATOM 528 CG TYR A 37 -1.075 8.763 9.749 1.00 2.95 C ATOM 529 CD1 TYR A 37 -0.786 9.394 10.966 1.00 3.41 C ATOM 530 CD2 TYR A 37 -2.344 8.213 9.529 1.00 3.15 C ATOM 531 CE1 TYR A 37 -1.764 9.466 11.967 1.00 3.83 C ATOM 532 CE2 TYR A 37 -3.321 8.284 10.531 1.00 3.62 C ATOM 533 CZ TYR A 37 -3.031 8.914 11.747 1.00 3.86 C ATOM 534 OH TYR A 37 -3.992 8.986 12.731 1.00 4.40 O ATOM 0 H TYR A 37 0.468 8.638 6.203 1.00 2.16 H new ATOM 0 HA TYR A 37 -0.898 10.589 8.052 1.00 2.38 H new ATOM 0 HB2 TYR A 37 -0.201 7.804 8.045 1.00 2.62 H new ATOM 0 HB3 TYR A 37 0.962 8.549 9.124 1.00 2.62 H new ATOM 0 HD1 TYR A 37 0.190 9.825 11.133 1.00 3.41 H new ATOM 0 HD2 TYR A 37 -2.570 7.734 8.587 1.00 3.15 H new ATOM 0 HE1 TYR A 37 -1.540 9.947 12.908 1.00 3.83 H new ATOM 0 HE2 TYR A 37 -4.297 7.853 10.365 1.00 3.62 H new ATOM 0 HH TYR A 37 -4.815 8.556 12.417 1.00 4.40 H new ATOM 544 N LEU A 38 2.368 10.327 7.681 1.00 2.18 N ATOM 545 CA LEU A 38 3.628 11.109 7.926 1.00 2.19 C ATOM 546 C LEU A 38 4.182 11.671 6.611 1.00 1.92 C ATOM 547 O LEU A 38 4.700 12.770 6.566 1.00 1.88 O ATOM 548 CB LEU A 38 4.641 10.123 8.546 1.00 2.39 C ATOM 549 CG LEU A 38 3.933 9.038 9.366 1.00 2.61 C ATOM 550 CD1 LEU A 38 4.936 7.944 9.728 1.00 2.79 C ATOM 551 CD2 LEU A 38 3.366 9.646 10.651 1.00 2.84 C ATOM 0 H LEU A 38 2.497 9.439 7.195 1.00 2.18 H new ATOM 0 HA LEU A 38 3.437 11.955 8.586 1.00 2.19 H new ATOM 0 HB2 LEU A 38 5.230 9.658 7.755 1.00 2.39 H new ATOM 0 HB3 LEU A 38 5.338 10.667 9.184 1.00 2.39 H new ATOM 0 HG LEU A 38 3.119 8.615 8.777 1.00 2.61 H new ATOM 0 HD11 LEU A 38 4.436 7.171 10.311 1.00 2.79 H new ATOM 0 HD12 LEU A 38 5.341 7.506 8.816 1.00 2.79 H new ATOM 0 HD13 LEU A 38 5.747 8.374 10.315 1.00 2.79 H new ATOM 0 HD21 LEU A 38 2.864 8.871 11.230 1.00 2.84 H new ATOM 0 HD22 LEU A 38 4.178 10.071 11.241 1.00 2.84 H new ATOM 0 HD23 LEU A 38 2.652 10.430 10.398 1.00 2.84 H new ATOM 563 N ARG A 39 4.083 10.913 5.551 1.00 1.78 N ATOM 564 CA ARG A 39 4.607 11.371 4.216 1.00 1.56 C ATOM 565 C ARG A 39 6.073 11.817 4.334 1.00 1.70 C ATOM 566 O ARG A 39 6.453 12.870 3.857 1.00 1.67 O ATOM 567 CB ARG A 39 3.717 12.554 3.813 1.00 1.39 C ATOM 568 CG ARG A 39 3.471 12.518 2.300 1.00 1.27 C ATOM 569 CD ARG A 39 4.132 13.734 1.642 1.00 1.27 C ATOM 570 NE ARG A 39 5.343 13.201 0.948 1.00 1.52 N ATOM 571 CZ ARG A 39 6.412 13.926 0.869 1.00 1.67 C ATOM 572 NH1 ARG A 39 7.196 14.046 1.894 1.00 1.67 N ATOM 573 NH2 ARG A 39 6.690 14.534 -0.232 1.00 1.94 N ATOM 0 H ARG A 39 3.658 9.986 5.546 1.00 1.78 H new ATOM 0 HA ARG A 39 4.580 10.571 3.476 1.00 1.56 H new ATOM 0 HB2 ARG A 39 2.768 12.507 4.347 1.00 1.39 H new ATOM 0 HB3 ARG A 39 4.194 13.493 4.092 1.00 1.39 H new ATOM 0 HG2 ARG A 39 3.876 11.598 1.877 1.00 1.27 H new ATOM 0 HG3 ARG A 39 2.400 12.518 2.095 1.00 1.27 H new ATOM 0 HD2 ARG A 39 3.455 14.215 0.936 1.00 1.27 H new ATOM 0 HD3 ARG A 39 4.403 14.484 2.385 1.00 1.27 H new ATOM 0 HE ARG A 39 5.327 12.267 0.537 1.00 1.52 H new ATOM 0 HH11 ARG A 39 6.971 13.568 2.767 1.00 1.67 H new ATOM 0 HH12 ARG A 39 8.038 14.618 1.828 1.00 1.67 H new ATOM 0 HH21 ARG A 39 6.069 14.443 -1.036 1.00 1.94 H new ATOM 0 HH22 ARG A 39 7.531 15.107 -0.300 1.00 1.94 H new ATOM 587 N LEU A 40 6.898 11.031 4.974 1.00 1.95 N ATOM 588 CA LEU A 40 8.337 11.419 5.133 1.00 2.16 C ATOM 589 C LEU A 40 9.151 11.118 3.874 1.00 2.11 C ATOM 590 O LEU A 40 9.699 12.019 3.266 1.00 2.09 O ATOM 591 CB LEU A 40 8.844 10.591 6.318 1.00 2.49 C ATOM 592 CG LEU A 40 8.588 11.348 7.623 1.00 2.67 C ATOM 593 CD1 LEU A 40 8.057 10.379 8.681 1.00 3.12 C ATOM 594 CD2 LEU A 40 9.895 11.974 8.117 1.00 3.11 C ATOM 0 H LEU A 40 6.641 10.138 5.394 1.00 1.95 H new ATOM 0 HA LEU A 40 8.441 12.491 5.301 1.00 2.16 H new ATOM 0 HB2 LEU A 40 8.339 9.625 6.342 1.00 2.49 H new ATOM 0 HB3 LEU A 40 9.910 10.391 6.205 1.00 2.49 H new ATOM 0 HG LEU A 40 7.853 12.133 7.447 1.00 2.67 H new ATOM 0 HD11 LEU A 40 7.875 10.919 9.610 1.00 3.12 H new ATOM 0 HD12 LEU A 40 7.126 9.934 8.332 1.00 3.12 H new ATOM 0 HD13 LEU A 40 8.792 9.593 8.856 1.00 3.12 H new ATOM 0 HD21 LEU A 40 9.712 12.513 9.047 1.00 3.11 H new ATOM 0 HD22 LEU A 40 10.631 11.189 8.292 1.00 3.11 H new ATOM 0 HD23 LEU A 40 10.274 12.666 7.365 1.00 3.11 H new ATOM 606 N GLN A 41 9.280 9.864 3.501 1.00 2.16 N ATOM 607 CA GLN A 41 10.111 9.495 2.300 1.00 2.19 C ATOM 608 C GLN A 41 11.601 9.751 2.604 1.00 2.48 C ATOM 609 O GLN A 41 12.441 8.892 2.400 1.00 2.69 O ATOM 610 CB GLN A 41 9.613 10.378 1.145 1.00 1.96 C ATOM 611 CG GLN A 41 9.426 9.519 -0.112 1.00 1.89 C ATOM 612 CD GLN A 41 10.437 9.935 -1.181 1.00 2.01 C ATOM 613 OE1 GLN A 41 11.508 9.370 -1.277 1.00 2.22 O ATOM 614 NE2 GLN A 41 10.149 10.908 -1.988 1.00 2.00 N ATOM 0 H GLN A 41 8.844 9.075 3.978 1.00 2.16 H new ATOM 0 HA GLN A 41 10.014 8.441 2.040 1.00 2.19 H new ATOM 0 HB2 GLN A 41 8.671 10.853 1.417 1.00 1.96 H new ATOM 0 HB3 GLN A 41 10.328 11.177 0.949 1.00 1.96 H new ATOM 0 HG2 GLN A 41 9.557 8.465 0.134 1.00 1.89 H new ATOM 0 HG3 GLN A 41 8.412 9.634 -0.494 1.00 1.89 H new ATOM 0 HE21 GLN A 41 9.251 11.385 -1.911 1.00 2.00 H new ATOM 0 HE22 GLN A 41 10.821 11.196 -2.700 1.00 2.00 H new ATOM 623 N ARG A 42 11.929 10.915 3.112 1.00 2.52 N ATOM 624 CA ARG A 42 13.343 11.231 3.464 1.00 2.82 C ATOM 625 C ARG A 42 13.342 12.198 4.655 1.00 2.87 C ATOM 626 O ARG A 42 12.462 12.146 5.493 1.00 2.78 O ATOM 627 CB ARG A 42 13.921 11.885 2.207 1.00 2.86 C ATOM 628 CG ARG A 42 15.388 11.468 2.046 1.00 3.21 C ATOM 629 CD ARG A 42 15.860 11.772 0.622 1.00 3.24 C ATOM 630 NE ARG A 42 15.601 10.517 -0.142 1.00 3.09 N ATOM 631 CZ ARG A 42 14.433 10.303 -0.662 1.00 2.82 C ATOM 632 NH1 ARG A 42 14.110 10.864 -1.783 1.00 2.81 N ATOM 633 NH2 ARG A 42 13.585 9.537 -0.055 1.00 2.66 N ATOM 0 H ARG A 42 11.266 11.667 3.299 1.00 2.52 H new ATOM 0 HA ARG A 42 13.931 10.360 3.753 1.00 2.82 H new ATOM 0 HB2 ARG A 42 13.347 11.584 1.330 1.00 2.86 H new ATOM 0 HB3 ARG A 42 13.846 12.970 2.280 1.00 2.86 H new ATOM 0 HG2 ARG A 42 16.008 12.001 2.766 1.00 3.21 H new ATOM 0 HG3 ARG A 42 15.498 10.404 2.256 1.00 3.21 H new ATOM 0 HD2 ARG A 42 15.315 12.614 0.196 1.00 3.24 H new ATOM 0 HD3 ARG A 42 16.918 12.035 0.604 1.00 3.24 H new ATOM 0 HE ARG A 42 16.343 9.827 -0.255 1.00 3.09 H new ATOM 0 HH11 ARG A 42 14.775 11.475 -2.258 1.00 2.81 H new ATOM 0 HH12 ARG A 42 13.191 10.695 -2.192 1.00 2.81 H new ATOM 0 HH21 ARG A 42 13.836 9.102 0.833 1.00 2.66 H new ATOM 0 HH22 ARG A 42 12.666 9.369 -0.464 1.00 2.66 H new ATOM 647 N ILE A 43 14.293 13.092 4.738 1.00 3.05 N ATOM 648 CA ILE A 43 14.314 14.061 5.857 1.00 3.11 C ATOM 649 C ILE A 43 13.053 14.951 5.812 1.00 2.84 C ATOM 650 O ILE A 43 12.634 15.498 6.815 1.00 2.84 O ATOM 651 CB ILE A 43 15.598 14.847 5.584 1.00 3.35 C ATOM 652 CG1 ILE A 43 16.488 14.775 6.815 1.00 3.63 C ATOM 653 CG2 ILE A 43 15.288 16.297 5.224 1.00 3.27 C ATOM 654 CD1 ILE A 43 15.939 15.684 7.919 1.00 3.61 C ATOM 0 H ILE A 43 15.058 13.187 4.070 1.00 3.05 H new ATOM 0 HA ILE A 43 14.305 13.612 6.850 1.00 3.11 H new ATOM 0 HB ILE A 43 16.116 14.406 4.732 1.00 3.35 H new ATOM 0 HG12 ILE A 43 16.542 13.747 7.174 1.00 3.63 H new ATOM 0 HG13 ILE A 43 17.503 15.077 6.557 1.00 3.63 H new ATOM 0 HG21 ILE A 43 16.219 16.832 5.035 1.00 3.27 H new ATOM 0 HG22 ILE A 43 14.666 16.325 4.330 1.00 3.27 H new ATOM 0 HG23 ILE A 43 14.758 16.772 6.050 1.00 3.27 H new ATOM 0 HD11 ILE A 43 16.585 15.624 8.795 1.00 3.61 H new ATOM 0 HD12 ILE A 43 15.908 16.713 7.561 1.00 3.61 H new ATOM 0 HD13 ILE A 43 14.933 15.363 8.188 1.00 3.61 H new ATOM 666 N SER A 44 12.459 15.090 4.649 1.00 2.64 N ATOM 667 CA SER A 44 11.234 15.931 4.496 1.00 2.40 C ATOM 668 C SER A 44 10.666 15.763 3.076 1.00 2.27 C ATOM 669 O SER A 44 9.579 15.244 2.887 1.00 2.12 O ATOM 670 CB SER A 44 11.720 17.360 4.724 1.00 2.50 C ATOM 671 OG SER A 44 12.620 17.732 3.681 1.00 2.65 O ATOM 0 H SER A 44 12.779 14.648 3.787 1.00 2.64 H new ATOM 0 HA SER A 44 10.439 15.658 5.190 1.00 2.40 H new ATOM 0 HB2 SER A 44 10.872 18.044 4.747 1.00 2.50 H new ATOM 0 HB3 SER A 44 12.217 17.436 5.691 1.00 2.50 H new ATOM 0 HG SER A 44 12.158 18.315 3.043 1.00 2.65 H new ATOM 677 N GLN A 45 11.412 16.191 2.080 1.00 2.40 N ATOM 678 CA GLN A 45 10.965 16.068 0.654 1.00 2.37 C ATOM 679 C GLN A 45 9.511 16.531 0.481 1.00 2.25 C ATOM 680 O GLN A 45 8.665 15.788 0.026 1.00 2.16 O ATOM 681 CB GLN A 45 11.108 14.576 0.327 1.00 2.39 C ATOM 682 CG GLN A 45 12.391 14.344 -0.482 1.00 2.55 C ATOM 683 CD GLN A 45 12.041 13.902 -1.907 1.00 2.55 C ATOM 684 OE1 GLN A 45 12.069 12.728 -2.214 1.00 2.61 O ATOM 685 NE2 GLN A 45 11.725 14.795 -2.800 1.00 2.59 N ATOM 0 H GLN A 45 12.326 16.627 2.199 1.00 2.40 H new ATOM 0 HA GLN A 45 11.557 16.696 -0.012 1.00 2.37 H new ATOM 0 HB2 GLN A 45 11.137 13.993 1.248 1.00 2.39 H new ATOM 0 HB3 GLN A 45 10.242 14.234 -0.240 1.00 2.39 H new ATOM 0 HG2 GLN A 45 12.982 15.259 -0.511 1.00 2.55 H new ATOM 0 HG3 GLN A 45 13.004 13.584 0.003 1.00 2.55 H new ATOM 0 HE21 GLN A 45 11.700 15.783 -2.547 1.00 2.59 H new ATOM 0 HE22 GLN A 45 11.502 14.507 -3.753 1.00 2.59 H new ATOM 694 N SER A 46 9.212 17.758 0.823 1.00 2.33 N ATOM 695 CA SER A 46 7.812 18.264 0.667 1.00 2.30 C ATOM 696 C SER A 46 7.562 18.762 -0.771 1.00 2.28 C ATOM 697 O SER A 46 6.853 19.727 -0.978 1.00 2.32 O ATOM 698 CB SER A 46 7.685 19.425 1.662 1.00 2.50 C ATOM 699 OG SER A 46 6.608 19.165 2.559 1.00 2.73 O ATOM 0 H SER A 46 9.876 18.433 1.204 1.00 2.33 H new ATOM 0 HA SER A 46 7.081 17.479 0.857 1.00 2.30 H new ATOM 0 HB2 SER A 46 8.615 19.545 2.218 1.00 2.50 H new ATOM 0 HB3 SER A 46 7.510 20.359 1.128 1.00 2.50 H new ATOM 0 HG SER A 46 6.527 19.905 3.196 1.00 2.73 H new ATOM 705 N GLU A 47 8.137 18.120 -1.762 1.00 2.28 N ATOM 706 CA GLU A 47 7.932 18.566 -3.173 1.00 2.33 C ATOM 707 C GLU A 47 6.788 17.779 -3.834 1.00 2.17 C ATOM 708 O GLU A 47 6.149 16.952 -3.207 1.00 2.01 O ATOM 709 CB GLU A 47 9.265 18.282 -3.882 1.00 2.49 C ATOM 710 CG GLU A 47 10.371 19.173 -3.296 1.00 2.68 C ATOM 711 CD GLU A 47 11.196 18.382 -2.277 1.00 2.65 C ATOM 712 OE1 GLU A 47 11.945 17.513 -2.694 1.00 2.92 O ATOM 713 OE2 GLU A 47 11.063 18.654 -1.097 1.00 2.67 O ATOM 0 H GLU A 47 8.740 17.305 -1.651 1.00 2.28 H new ATOM 0 HA GLU A 47 7.656 19.619 -3.229 1.00 2.33 H new ATOM 0 HB2 GLU A 47 9.532 17.232 -3.765 1.00 2.49 H new ATOM 0 HB3 GLU A 47 9.165 18.468 -4.951 1.00 2.49 H new ATOM 0 HG2 GLU A 47 11.017 19.538 -4.095 1.00 2.68 H new ATOM 0 HG3 GLU A 47 9.930 20.048 -2.818 1.00 2.68 H new ATOM 720 N ASP A 48 6.530 18.030 -5.098 1.00 2.28 N ATOM 721 CA ASP A 48 5.434 17.299 -5.811 1.00 2.20 C ATOM 722 C ASP A 48 5.726 15.788 -5.816 1.00 2.12 C ATOM 723 O ASP A 48 6.502 15.295 -6.615 1.00 2.30 O ATOM 724 CB ASP A 48 5.441 17.870 -7.239 1.00 2.39 C ATOM 725 CG ASP A 48 4.224 18.771 -7.443 1.00 2.59 C ATOM 726 OD1 ASP A 48 4.260 19.894 -6.972 1.00 2.77 O ATOM 727 OD2 ASP A 48 3.278 18.324 -8.067 1.00 2.90 O ATOM 0 H ASP A 48 7.033 18.711 -5.666 1.00 2.28 H new ATOM 0 HA ASP A 48 4.463 17.428 -5.333 1.00 2.20 H new ATOM 0 HB2 ASP A 48 6.357 18.436 -7.409 1.00 2.39 H new ATOM 0 HB3 ASP A 48 5.429 17.057 -7.965 1.00 2.39 H new ATOM 732 N GLU A 49 5.120 15.055 -4.916 1.00 1.97 N ATOM 733 CA GLU A 49 5.367 13.589 -4.846 1.00 1.92 C ATOM 734 C GLU A 49 4.084 12.843 -4.435 1.00 1.85 C ATOM 735 O GLU A 49 3.273 13.350 -3.681 1.00 1.92 O ATOM 736 CB GLU A 49 6.466 13.457 -3.787 1.00 1.96 C ATOM 737 CG GLU A 49 6.709 11.987 -3.436 1.00 1.59 C ATOM 738 CD GLU A 49 6.804 11.845 -1.919 1.00 1.55 C ATOM 739 OE1 GLU A 49 7.884 12.038 -1.390 1.00 1.90 O ATOM 740 OE2 GLU A 49 5.792 11.551 -1.311 1.00 1.54 O ATOM 0 H GLU A 49 4.462 15.414 -4.225 1.00 1.97 H new ATOM 0 HA GLU A 49 5.662 13.155 -5.801 1.00 1.92 H new ATOM 0 HB2 GLU A 49 7.389 13.905 -4.156 1.00 1.96 H new ATOM 0 HB3 GLU A 49 6.181 14.007 -2.890 1.00 1.96 H new ATOM 0 HG2 GLU A 49 5.898 11.369 -3.821 1.00 1.59 H new ATOM 0 HG3 GLU A 49 7.628 11.635 -3.905 1.00 1.59 H new ATOM 747 N GLU A 50 3.893 11.645 -4.936 1.00 1.80 N ATOM 748 CA GLU A 50 2.668 10.865 -4.591 1.00 1.79 C ATOM 749 C GLU A 50 3.023 9.407 -4.254 1.00 1.73 C ATOM 750 O GLU A 50 4.178 9.027 -4.208 1.00 1.64 O ATOM 751 CB GLU A 50 1.802 10.929 -5.853 1.00 1.93 C ATOM 752 CG GLU A 50 0.360 11.299 -5.476 1.00 2.01 C ATOM 753 CD GLU A 50 -0.479 10.031 -5.318 1.00 1.98 C ATOM 754 OE1 GLU A 50 -0.418 9.426 -4.259 1.00 2.07 O ATOM 755 OE2 GLU A 50 -1.157 9.673 -6.261 1.00 2.14 O ATOM 0 H GLU A 50 4.538 11.175 -5.571 1.00 1.80 H new ATOM 0 HA GLU A 50 2.159 11.267 -3.715 1.00 1.79 H new ATOM 0 HB2 GLU A 50 2.207 11.666 -6.546 1.00 1.93 H new ATOM 0 HB3 GLU A 50 1.818 9.967 -6.366 1.00 1.93 H new ATOM 0 HG2 GLU A 50 0.353 11.868 -4.547 1.00 2.01 H new ATOM 0 HG3 GLU A 50 -0.073 11.939 -6.245 1.00 2.01 H new ATOM 762 N SER A 51 2.027 8.596 -4.026 1.00 1.89 N ATOM 763 CA SER A 51 2.266 7.158 -3.692 1.00 1.86 C ATOM 764 C SER A 51 1.337 6.240 -4.503 1.00 1.89 C ATOM 765 O SER A 51 1.715 5.147 -4.879 1.00 1.89 O ATOM 766 CB SER A 51 1.968 7.048 -2.194 1.00 1.90 C ATOM 767 OG SER A 51 2.757 6.002 -1.628 1.00 1.60 O ATOM 0 H SER A 51 1.045 8.869 -4.057 1.00 1.89 H new ATOM 0 HA SER A 51 3.283 6.848 -3.933 1.00 1.86 H new ATOM 0 HB2 SER A 51 2.188 7.993 -1.698 1.00 1.90 H new ATOM 0 HB3 SER A 51 0.909 6.845 -2.037 1.00 1.90 H new ATOM 0 HG SER A 51 2.568 5.932 -0.669 1.00 1.60 H new ATOM 773 N ILE A 52 0.134 6.673 -4.777 1.00 1.97 N ATOM 774 CA ILE A 52 -0.816 5.827 -5.567 1.00 2.05 C ATOM 775 C ILE A 52 -0.641 6.094 -7.066 1.00 1.99 C ATOM 776 O ILE A 52 -0.435 5.187 -7.848 1.00 2.05 O ATOM 777 CB ILE A 52 -2.215 6.253 -5.106 1.00 2.16 C ATOM 778 CG1 ILE A 52 -2.384 5.976 -3.609 1.00 2.27 C ATOM 779 CG2 ILE A 52 -3.267 5.461 -5.883 1.00 2.29 C ATOM 780 CD1 ILE A 52 -2.059 4.509 -3.311 1.00 2.37 C ATOM 0 H ILE A 52 -0.235 7.579 -4.488 1.00 1.97 H new ATOM 0 HA ILE A 52 -0.645 4.762 -5.410 1.00 2.05 H new ATOM 0 HB ILE A 52 -2.340 7.320 -5.290 1.00 2.16 H new ATOM 0 HG12 ILE A 52 -1.727 6.628 -3.033 1.00 2.27 H new ATOM 0 HG13 ILE A 52 -3.405 6.201 -3.301 1.00 2.27 H new ATOM 0 HG21 ILE A 52 -4.263 5.762 -5.557 1.00 2.29 H new ATOM 0 HG22 ILE A 52 -3.158 5.660 -6.949 1.00 2.29 H new ATOM 0 HG23 ILE A 52 -3.131 4.396 -5.697 1.00 2.29 H new ATOM 0 HD11 ILE A 52 -2.181 4.319 -2.245 1.00 2.37 H new ATOM 0 HD12 ILE A 52 -2.734 3.865 -3.874 1.00 2.37 H new ATOM 0 HD13 ILE A 52 -1.030 4.298 -3.602 1.00 2.37 H new ATOM 792 N VAL A 53 -0.721 7.336 -7.466 1.00 1.92 N ATOM 793 CA VAL A 53 -0.555 7.679 -8.910 1.00 1.89 C ATOM 794 C VAL A 53 0.909 8.007 -9.188 1.00 1.77 C ATOM 795 O VAL A 53 1.594 7.306 -9.910 1.00 1.82 O ATOM 796 CB VAL A 53 -1.429 8.920 -9.131 1.00 1.94 C ATOM 797 CG1 VAL A 53 -1.305 9.395 -10.580 1.00 1.99 C ATOM 798 CG2 VAL A 53 -2.886 8.581 -8.823 1.00 2.12 C ATOM 0 H VAL A 53 -0.895 8.132 -6.852 1.00 1.92 H new ATOM 0 HA VAL A 53 -0.842 6.860 -9.570 1.00 1.89 H new ATOM 0 HB VAL A 53 -1.094 9.716 -8.466 1.00 1.94 H new ATOM 0 HG11 VAL A 53 -1.929 10.277 -10.729 1.00 1.99 H new ATOM 0 HG12 VAL A 53 -0.266 9.646 -10.793 1.00 1.99 H new ATOM 0 HG13 VAL A 53 -1.632 8.602 -11.252 1.00 1.99 H new ATOM 0 HG21 VAL A 53 -3.506 9.464 -8.980 1.00 2.12 H new ATOM 0 HG22 VAL A 53 -3.221 7.780 -9.483 1.00 2.12 H new ATOM 0 HG23 VAL A 53 -2.973 8.257 -7.786 1.00 2.12 H new ATOM 808 N GLY A 54 1.384 9.089 -8.628 1.00 1.71 N ATOM 809 CA GLY A 54 2.804 9.503 -8.855 1.00 1.71 C ATOM 810 C GLY A 54 2.920 10.095 -10.257 1.00 1.68 C ATOM 811 O GLY A 54 3.230 11.258 -10.428 1.00 1.75 O ATOM 0 H GLY A 54 0.848 9.708 -8.020 1.00 1.71 H new ATOM 0 HA2 GLY A 54 3.108 10.236 -8.108 1.00 1.71 H new ATOM 0 HA3 GLY A 54 3.469 8.646 -8.750 1.00 1.71 H new ATOM 815 N ASP A 55 2.648 9.301 -11.259 1.00 1.67 N ATOM 816 CA ASP A 55 2.710 9.805 -12.659 1.00 1.68 C ATOM 817 C ASP A 55 1.426 10.588 -12.986 1.00 1.81 C ATOM 818 O ASP A 55 0.684 10.979 -12.101 1.00 2.28 O ATOM 819 CB ASP A 55 2.816 8.543 -13.526 1.00 1.75 C ATOM 820 CG ASP A 55 3.803 8.792 -14.659 1.00 1.78 C ATOM 821 OD1 ASP A 55 3.561 9.708 -15.427 1.00 1.88 O ATOM 822 OD2 ASP A 55 4.785 8.076 -14.732 1.00 1.91 O ATOM 0 H ASP A 55 2.384 8.320 -11.165 1.00 1.67 H new ATOM 0 HA ASP A 55 3.548 10.482 -12.828 1.00 1.68 H new ATOM 0 HB2 ASP A 55 3.145 7.699 -12.921 1.00 1.75 H new ATOM 0 HB3 ASP A 55 1.838 8.283 -13.931 1.00 1.75 H new ATOM 827 N GLY A 56 1.153 10.825 -14.246 1.00 1.58 N ATOM 828 CA GLY A 56 -0.081 11.577 -14.614 1.00 1.76 C ATOM 829 C GLY A 56 0.239 12.512 -15.768 1.00 1.44 C ATOM 830 O GLY A 56 -0.343 12.420 -16.830 1.00 1.55 O ATOM 0 H GLY A 56 1.732 10.530 -15.032 1.00 1.58 H new ATOM 0 HA2 GLY A 56 -0.874 10.885 -14.898 1.00 1.76 H new ATOM 0 HA3 GLY A 56 -0.446 12.145 -13.758 1.00 1.76 H new ATOM 834 N GLU A 57 1.175 13.398 -15.575 1.00 1.28 N ATOM 835 CA GLU A 57 1.550 14.329 -16.669 1.00 1.31 C ATOM 836 C GLU A 57 3.057 14.242 -16.957 1.00 1.35 C ATOM 837 O GLU A 57 3.638 15.141 -17.537 1.00 1.59 O ATOM 838 CB GLU A 57 1.156 15.720 -16.158 1.00 1.60 C ATOM 839 CG GLU A 57 -0.241 16.087 -16.679 1.00 1.78 C ATOM 840 CD GLU A 57 -0.111 16.994 -17.902 1.00 2.12 C ATOM 841 OE1 GLU A 57 0.133 16.473 -18.977 1.00 2.38 O ATOM 842 OE2 GLU A 57 -0.257 18.192 -17.747 1.00 2.53 O ATOM 0 H GLU A 57 1.696 13.516 -14.706 1.00 1.28 H new ATOM 0 HA GLU A 57 1.049 14.091 -17.607 1.00 1.31 H new ATOM 0 HB2 GLU A 57 1.163 15.733 -15.068 1.00 1.60 H new ATOM 0 HB3 GLU A 57 1.884 16.460 -16.490 1.00 1.60 H new ATOM 0 HG2 GLU A 57 -0.791 15.183 -16.941 1.00 1.78 H new ATOM 0 HG3 GLU A 57 -0.810 16.592 -15.898 1.00 1.78 H new ATOM 849 N THR A 58 3.697 13.157 -16.567 1.00 1.29 N ATOM 850 CA THR A 58 5.167 12.993 -16.820 1.00 1.42 C ATOM 851 C THR A 58 5.429 12.778 -18.319 1.00 1.74 C ATOM 852 O THR A 58 6.038 11.807 -18.731 1.00 2.03 O ATOM 853 CB THR A 58 5.580 11.759 -16.011 1.00 1.51 C ATOM 854 OG1 THR A 58 5.035 11.853 -14.705 1.00 1.77 O ATOM 855 CG2 THR A 58 7.102 11.676 -15.907 1.00 1.67 C ATOM 0 H THR A 58 3.258 12.375 -16.081 1.00 1.29 H new ATOM 0 HA THR A 58 5.736 13.875 -16.526 1.00 1.42 H new ATOM 0 HB THR A 58 5.206 10.867 -16.514 1.00 1.51 H new ATOM 0 HG1 THR A 58 4.273 11.242 -14.624 1.00 1.77 H new ATOM 0 HG21 THR A 58 7.380 10.794 -15.329 1.00 1.67 H new ATOM 0 HG22 THR A 58 7.532 11.605 -16.906 1.00 1.67 H new ATOM 0 HG23 THR A 58 7.482 12.569 -15.411 1.00 1.67 H new ATOM 863 N LYS A 59 4.974 13.694 -19.124 1.00 1.94 N ATOM 864 CA LYS A 59 5.172 13.608 -20.598 1.00 2.45 C ATOM 865 C LYS A 59 5.828 14.909 -21.075 1.00 2.71 C ATOM 866 O LYS A 59 6.364 15.652 -20.276 1.00 2.52 O ATOM 867 CB LYS A 59 3.753 13.455 -21.169 1.00 2.74 C ATOM 868 CG LYS A 59 2.970 14.762 -20.977 1.00 2.79 C ATOM 869 CD LYS A 59 1.472 14.456 -20.858 1.00 2.82 C ATOM 870 CE LYS A 59 0.697 15.240 -21.925 1.00 3.27 C ATOM 871 NZ LYS A 59 0.535 16.615 -21.369 1.00 3.22 N ATOM 0 H LYS A 59 4.460 14.519 -18.815 1.00 1.94 H new ATOM 0 HA LYS A 59 5.813 12.784 -20.911 1.00 2.45 H new ATOM 0 HB2 LYS A 59 3.803 13.203 -22.228 1.00 2.74 H new ATOM 0 HB3 LYS A 59 3.237 12.635 -20.670 1.00 2.74 H new ATOM 0 HG2 LYS A 59 3.318 15.277 -20.082 1.00 2.79 H new ATOM 0 HG3 LYS A 59 3.148 15.431 -21.819 1.00 2.79 H new ATOM 0 HD2 LYS A 59 1.299 13.387 -20.981 1.00 2.82 H new ATOM 0 HD3 LYS A 59 1.114 14.725 -19.864 1.00 2.82 H new ATOM 0 HE2 LYS A 59 1.241 15.260 -22.870 1.00 3.27 H new ATOM 0 HE3 LYS A 59 -0.271 14.780 -22.124 1.00 3.27 H new ATOM 0 HZ1 LYS A 59 -0.269 17.085 -21.833 1.00 3.22 H new ATOM 0 HZ2 LYS A 59 0.359 16.557 -20.346 1.00 3.22 H new ATOM 0 HZ3 LYS A 59 1.402 17.163 -21.540 1.00 3.22 H new ATOM 885 N GLU A 60 5.773 15.205 -22.354 1.00 3.29 N ATOM 886 CA GLU A 60 6.379 16.479 -22.869 1.00 3.68 C ATOM 887 C GLU A 60 7.901 16.524 -22.596 1.00 3.43 C ATOM 888 O GLU A 60 8.326 16.744 -21.473 1.00 3.64 O ATOM 889 CB GLU A 60 5.649 17.586 -22.093 1.00 3.79 C ATOM 890 CG GLU A 60 4.646 18.300 -23.003 1.00 4.43 C ATOM 891 CD GLU A 60 3.319 17.546 -22.980 1.00 4.22 C ATOM 892 OE1 GLU A 60 2.513 17.835 -22.110 1.00 3.94 O ATOM 893 OE2 GLU A 60 3.129 16.685 -23.822 1.00 4.47 O ATOM 0 H GLU A 60 5.334 14.619 -23.065 1.00 3.29 H new ATOM 0 HA GLU A 60 6.268 16.583 -23.948 1.00 3.68 H new ATOM 0 HB2 GLU A 60 5.131 17.157 -21.235 1.00 3.79 H new ATOM 0 HB3 GLU A 60 6.371 18.303 -21.703 1.00 3.79 H new ATOM 0 HG2 GLU A 60 4.500 19.327 -22.668 1.00 4.43 H new ATOM 0 HG3 GLU A 60 5.032 18.349 -24.021 1.00 4.43 H new ATOM 900 N PRO A 61 8.688 16.331 -23.637 1.00 3.07 N ATOM 901 CA PRO A 61 10.174 16.360 -23.489 1.00 2.88 C ATOM 902 C PRO A 61 10.656 17.786 -23.157 1.00 2.75 C ATOM 903 O PRO A 61 11.495 18.351 -23.838 1.00 2.55 O ATOM 904 CB PRO A 61 10.678 15.898 -24.859 1.00 2.79 C ATOM 905 CG PRO A 61 9.570 16.237 -25.800 1.00 2.80 C ATOM 906 CD PRO A 61 8.287 16.073 -25.027 1.00 2.94 C ATOM 0 HA PRO A 61 10.542 15.731 -22.678 1.00 2.88 H new ATOM 0 HB2 PRO A 61 11.602 16.407 -25.134 1.00 2.79 H new ATOM 0 HB3 PRO A 61 10.890 14.829 -24.864 1.00 2.79 H new ATOM 0 HG2 PRO A 61 9.673 17.258 -26.169 1.00 2.80 H new ATOM 0 HG3 PRO A 61 9.585 15.581 -26.670 1.00 2.80 H new ATOM 0 HD2 PRO A 61 7.524 16.776 -25.362 1.00 2.94 H new ATOM 0 HD3 PRO A 61 7.872 15.072 -25.146 1.00 2.94 H new ATOM 914 N PHE A 62 10.131 18.364 -22.105 1.00 2.99 N ATOM 915 CA PHE A 62 10.541 19.740 -21.699 1.00 3.06 C ATOM 916 C PHE A 62 11.934 19.694 -21.068 1.00 2.98 C ATOM 917 O PHE A 62 12.407 18.645 -20.681 1.00 2.91 O ATOM 918 CB PHE A 62 9.500 20.188 -20.663 1.00 3.51 C ATOM 919 CG PHE A 62 8.571 21.209 -21.278 1.00 3.73 C ATOM 920 CD1 PHE A 62 7.476 20.784 -22.041 1.00 3.50 C ATOM 921 CD2 PHE A 62 8.799 22.577 -21.080 1.00 4.51 C ATOM 922 CE1 PHE A 62 6.612 21.727 -22.611 1.00 3.87 C ATOM 923 CE2 PHE A 62 7.934 23.520 -21.651 1.00 4.86 C ATOM 924 CZ PHE A 62 6.839 23.094 -22.413 1.00 4.47 C ATOM 0 H PHE A 62 9.428 17.934 -21.504 1.00 2.99 H new ATOM 0 HA PHE A 62 10.585 20.426 -22.545 1.00 3.06 H new ATOM 0 HB2 PHE A 62 8.929 19.328 -20.313 1.00 3.51 H new ATOM 0 HB3 PHE A 62 10.000 20.615 -19.793 1.00 3.51 H new ATOM 0 HD1 PHE A 62 7.298 19.729 -22.190 1.00 3.50 H new ATOM 0 HD2 PHE A 62 9.641 22.905 -20.488 1.00 4.51 H new ATOM 0 HE1 PHE A 62 5.770 21.400 -23.203 1.00 3.87 H new ATOM 0 HE2 PHE A 62 8.112 24.575 -21.503 1.00 4.86 H new ATOM 0 HZ PHE A 62 6.169 23.821 -22.848 1.00 4.47 H new ATOM 934 N LEU A 63 12.597 20.813 -20.950 1.00 3.05 N ATOM 935 CA LEU A 63 13.964 20.805 -20.334 1.00 3.06 C ATOM 936 C LEU A 63 13.925 20.156 -18.946 1.00 3.21 C ATOM 937 O LEU A 63 14.806 19.396 -18.583 1.00 3.11 O ATOM 938 CB LEU A 63 14.380 22.273 -20.233 1.00 3.29 C ATOM 939 CG LEU A 63 14.786 22.782 -21.616 1.00 3.19 C ATOM 940 CD1 LEU A 63 14.093 24.114 -21.894 1.00 3.34 C ATOM 941 CD2 LEU A 63 16.301 22.980 -21.667 1.00 3.35 C ATOM 0 H LEU A 63 12.258 21.727 -21.249 1.00 3.05 H new ATOM 0 HA LEU A 63 14.671 20.229 -20.930 1.00 3.06 H new ATOM 0 HB2 LEU A 63 13.556 22.870 -19.841 1.00 3.29 H new ATOM 0 HB3 LEU A 63 15.211 22.380 -19.536 1.00 3.29 H new ATOM 0 HG LEU A 63 14.489 22.052 -22.369 1.00 3.19 H new ATOM 0 HD11 LEU A 63 14.383 24.476 -22.880 1.00 3.34 H new ATOM 0 HD12 LEU A 63 13.012 23.976 -21.862 1.00 3.34 H new ATOM 0 HD13 LEU A 63 14.388 24.842 -21.139 1.00 3.34 H new ATOM 0 HD21 LEU A 63 16.587 23.343 -22.654 1.00 3.35 H new ATOM 0 HD22 LEU A 63 16.598 23.708 -20.912 1.00 3.35 H new ATOM 0 HD23 LEU A 63 16.799 22.030 -21.471 1.00 3.35 H new ATOM 953 N LEU A 64 12.905 20.440 -18.181 1.00 3.46 N ATOM 954 CA LEU A 64 12.794 19.833 -16.816 1.00 3.66 C ATOM 955 C LEU A 64 12.766 18.306 -16.922 1.00 3.46 C ATOM 956 O LEU A 64 13.554 17.626 -16.292 1.00 3.46 O ATOM 957 CB LEU A 64 11.482 20.361 -16.219 1.00 3.98 C ATOM 958 CG LEU A 64 11.795 21.256 -15.017 1.00 4.21 C ATOM 959 CD1 LEU A 64 11.272 22.667 -15.282 1.00 4.71 C ATOM 960 CD2 LEU A 64 11.124 20.683 -13.766 1.00 4.29 C ATOM 0 H LEU A 64 12.142 21.066 -18.439 1.00 3.46 H new ATOM 0 HA LEU A 64 13.644 20.097 -16.187 1.00 3.66 H new ATOM 0 HB2 LEU A 64 10.928 20.923 -16.971 1.00 3.98 H new ATOM 0 HB3 LEU A 64 10.848 19.529 -15.912 1.00 3.98 H new ATOM 0 HG LEU A 64 12.873 21.295 -14.862 1.00 4.21 H new ATOM 0 HD11 LEU A 64 11.495 23.304 -14.426 1.00 4.71 H new ATOM 0 HD12 LEU A 64 11.754 23.073 -16.172 1.00 4.71 H new ATOM 0 HD13 LEU A 64 10.194 22.632 -15.437 1.00 4.71 H new ATOM 0 HD21 LEU A 64 11.346 21.320 -12.910 1.00 4.29 H new ATOM 0 HD22 LEU A 64 10.045 20.643 -13.918 1.00 4.29 H new ATOM 0 HD23 LEU A 64 11.502 19.678 -13.579 1.00 4.29 H new ATOM 972 N VAL A 65 11.888 17.759 -17.729 1.00 3.33 N ATOM 973 CA VAL A 65 11.841 16.268 -17.878 1.00 3.20 C ATOM 974 C VAL A 65 13.102 15.790 -18.595 1.00 2.87 C ATOM 975 O VAL A 65 13.613 14.725 -18.322 1.00 2.78 O ATOM 976 CB VAL A 65 10.607 15.944 -18.722 1.00 3.23 C ATOM 977 CG1 VAL A 65 10.355 14.435 -18.688 1.00 3.27 C ATOM 978 CG2 VAL A 65 9.367 16.664 -18.173 1.00 3.55 C ATOM 0 H VAL A 65 11.207 18.275 -18.287 1.00 3.33 H new ATOM 0 HA VAL A 65 11.788 15.774 -16.908 1.00 3.20 H new ATOM 0 HB VAL A 65 10.789 16.279 -19.743 1.00 3.23 H new ATOM 0 HG11 VAL A 65 9.476 14.199 -19.288 1.00 3.27 H new ATOM 0 HG12 VAL A 65 11.222 13.912 -19.092 1.00 3.27 H new ATOM 0 HG13 VAL A 65 10.187 14.117 -17.659 1.00 3.27 H new ATOM 0 HG21 VAL A 65 8.502 16.419 -18.789 1.00 3.55 H new ATOM 0 HG22 VAL A 65 9.185 16.344 -17.147 1.00 3.55 H new ATOM 0 HG23 VAL A 65 9.533 17.741 -18.193 1.00 3.55 H new ATOM 988 N GLN A 66 13.613 16.581 -19.502 1.00 2.72 N ATOM 989 CA GLN A 66 14.856 16.188 -20.229 1.00 2.45 C ATOM 990 C GLN A 66 15.974 15.985 -19.214 1.00 2.51 C ATOM 991 O GLN A 66 16.535 14.919 -19.101 1.00 2.40 O ATOM 992 CB GLN A 66 15.170 17.353 -21.173 1.00 2.41 C ATOM 993 CG GLN A 66 15.251 16.834 -22.613 1.00 2.18 C ATOM 994 CD GLN A 66 16.631 16.221 -22.863 1.00 2.16 C ATOM 995 OE1 GLN A 66 16.778 15.014 -22.903 1.00 2.08 O ATOM 996 NE2 GLN A 66 17.655 17.002 -23.036 1.00 2.50 N ATOM 0 H GLN A 66 13.222 17.484 -19.771 1.00 2.72 H new ATOM 0 HA GLN A 66 14.745 15.259 -20.789 1.00 2.45 H new ATOM 0 HB2 GLN A 66 14.398 18.118 -21.093 1.00 2.41 H new ATOM 0 HB3 GLN A 66 16.113 17.821 -20.890 1.00 2.41 H new ATOM 0 HG2 GLN A 66 14.475 16.089 -22.785 1.00 2.18 H new ATOM 0 HG3 GLN A 66 15.072 17.649 -23.314 1.00 2.18 H new ATOM 0 HE21 GLN A 66 17.536 18.014 -23.003 1.00 2.50 H new ATOM 0 HE22 GLN A 66 18.578 16.603 -23.205 1.00 2.50 H new ATOM 1005 N TYR A 67 16.267 16.996 -18.449 1.00 2.76 N ATOM 1006 CA TYR A 67 17.327 16.866 -17.403 1.00 2.91 C ATOM 1007 C TYR A 67 16.911 15.804 -16.378 1.00 2.98 C ATOM 1008 O TYR A 67 17.713 14.999 -15.943 1.00 2.91 O ATOM 1009 CB TYR A 67 17.421 18.246 -16.746 1.00 3.24 C ATOM 1010 CG TYR A 67 18.377 19.113 -17.527 1.00 3.25 C ATOM 1011 CD1 TYR A 67 19.747 19.064 -17.250 1.00 3.37 C ATOM 1012 CD2 TYR A 67 17.893 19.971 -18.521 1.00 3.28 C ATOM 1013 CE1 TYR A 67 20.635 19.870 -17.972 1.00 3.47 C ATOM 1014 CE2 TYR A 67 18.782 20.777 -19.242 1.00 3.39 C ATOM 1015 CZ TYR A 67 20.152 20.728 -18.966 1.00 3.46 C ATOM 1016 OH TYR A 67 21.026 21.522 -19.676 1.00 3.62 O ATOM 0 H TYR A 67 15.819 17.911 -18.500 1.00 2.76 H new ATOM 0 HA TYR A 67 18.286 16.557 -17.818 1.00 2.91 H new ATOM 0 HB2 TYR A 67 16.436 18.712 -16.712 1.00 3.24 H new ATOM 0 HB3 TYR A 67 17.762 18.147 -15.716 1.00 3.24 H new ATOM 0 HD1 TYR A 67 20.119 18.405 -16.480 1.00 3.37 H new ATOM 0 HD2 TYR A 67 16.835 20.011 -18.732 1.00 3.28 H new ATOM 0 HE1 TYR A 67 21.694 19.830 -17.762 1.00 3.47 H new ATOM 0 HE2 TYR A 67 18.410 21.437 -20.012 1.00 3.39 H new ATOM 0 HH TYR A 67 20.526 22.056 -20.328 1.00 3.62 H new ATOM 1026 N SER A 68 15.654 15.796 -16.008 1.00 3.16 N ATOM 1027 CA SER A 68 15.155 14.784 -15.017 1.00 3.31 C ATOM 1028 C SER A 68 15.371 13.367 -15.554 1.00 3.04 C ATOM 1029 O SER A 68 15.765 12.486 -14.827 1.00 3.09 O ATOM 1030 CB SER A 68 13.659 15.062 -14.843 1.00 3.54 C ATOM 1031 OG SER A 68 13.484 16.365 -14.305 1.00 3.82 O ATOM 0 H SER A 68 14.947 16.448 -16.349 1.00 3.16 H new ATOM 0 HA SER A 68 15.687 14.858 -14.069 1.00 3.31 H new ATOM 0 HB2 SER A 68 13.148 14.980 -15.802 1.00 3.54 H new ATOM 0 HB3 SER A 68 13.214 14.320 -14.181 1.00 3.54 H new ATOM 0 HG SER A 68 13.207 16.979 -15.017 1.00 3.82 H new ATOM 1037 N ALA A 69 15.121 13.141 -16.823 1.00 2.79 N ATOM 1038 CA ALA A 69 15.332 11.772 -17.393 1.00 2.59 C ATOM 1039 C ALA A 69 16.817 11.552 -17.730 1.00 2.33 C ATOM 1040 O ALA A 69 17.370 10.499 -17.475 1.00 2.27 O ATOM 1041 CB ALA A 69 14.470 11.722 -18.659 1.00 2.51 C ATOM 0 H ALA A 69 14.782 13.840 -17.484 1.00 2.79 H new ATOM 0 HA ALA A 69 15.054 10.989 -16.688 1.00 2.59 H new ATOM 0 HB1 ALA A 69 14.574 10.745 -19.132 1.00 2.51 H new ATOM 0 HB2 ALA A 69 13.426 11.888 -18.395 1.00 2.51 H new ATOM 0 HB3 ALA A 69 14.796 12.497 -19.352 1.00 2.51 H new ATOM 1047 N LYS A 70 17.460 12.542 -18.293 1.00 2.24 N ATOM 1048 CA LYS A 70 18.914 12.412 -18.653 1.00 2.11 C ATOM 1049 C LYS A 70 19.758 12.163 -17.406 1.00 2.29 C ATOM 1050 O LYS A 70 20.601 11.291 -17.390 1.00 2.19 O ATOM 1051 CB LYS A 70 19.313 13.747 -19.291 1.00 2.20 C ATOM 1052 CG LYS A 70 18.581 13.931 -20.620 1.00 2.04 C ATOM 1053 CD LYS A 70 19.174 12.998 -21.679 1.00 2.00 C ATOM 1054 CE LYS A 70 18.079 12.071 -22.216 1.00 2.02 C ATOM 1055 NZ LYS A 70 17.512 12.787 -23.397 1.00 2.08 N ATOM 0 H LYS A 70 17.042 13.444 -18.523 1.00 2.24 H new ATOM 0 HA LYS A 70 19.076 11.573 -19.329 1.00 2.11 H new ATOM 0 HB2 LYS A 70 19.071 14.568 -18.617 1.00 2.20 H new ATOM 0 HB3 LYS A 70 20.391 13.774 -19.453 1.00 2.20 H new ATOM 0 HG2 LYS A 70 17.519 13.720 -20.492 1.00 2.04 H new ATOM 0 HG3 LYS A 70 18.663 14.967 -20.949 1.00 2.04 H new ATOM 0 HD2 LYS A 70 19.603 13.582 -22.494 1.00 2.00 H new ATOM 0 HD3 LYS A 70 19.984 12.410 -21.248 1.00 2.00 H new ATOM 0 HE2 LYS A 70 18.487 11.101 -22.501 1.00 2.02 H new ATOM 0 HE3 LYS A 70 17.314 11.886 -21.462 1.00 2.02 H new ATOM 0 HZ1 LYS A 70 16.689 12.263 -23.758 1.00 2.08 H new ATOM 0 HZ2 LYS A 70 17.217 13.743 -23.114 1.00 2.08 H new ATOM 0 HZ3 LYS A 70 18.234 12.854 -24.142 1.00 2.08 H new ATOM 1069 N GLY A 71 19.536 12.930 -16.373 1.00 2.60 N ATOM 1070 CA GLY A 71 20.321 12.767 -15.102 1.00 2.86 C ATOM 1071 C GLY A 71 20.503 11.279 -14.768 1.00 2.72 C ATOM 1072 O GLY A 71 21.607 10.772 -14.806 1.00 2.66 O ATOM 0 H GLY A 71 18.837 13.673 -16.350 1.00 2.60 H new ATOM 0 HA2 GLY A 71 21.296 13.244 -15.206 1.00 2.86 H new ATOM 0 HA3 GLY A 71 19.806 13.269 -14.283 1.00 2.86 H new ATOM 1076 N PRO A 72 19.409 10.623 -14.461 1.00 2.74 N ATOM 1077 CA PRO A 72 19.455 9.175 -14.127 1.00 2.68 C ATOM 1078 C PRO A 72 19.879 8.351 -15.354 1.00 2.31 C ATOM 1079 O PRO A 72 20.657 7.423 -15.233 1.00 2.22 O ATOM 1080 CB PRO A 72 18.024 8.860 -13.688 1.00 2.88 C ATOM 1081 CG PRO A 72 17.192 9.908 -14.349 1.00 2.88 C ATOM 1082 CD PRO A 72 18.042 11.148 -14.402 1.00 2.89 C ATOM 0 HA PRO A 72 20.182 8.931 -13.353 1.00 2.68 H new ATOM 0 HB2 PRO A 72 17.724 7.860 -14.000 1.00 2.88 H new ATOM 0 HB3 PRO A 72 17.924 8.899 -12.603 1.00 2.88 H new ATOM 0 HG2 PRO A 72 16.896 9.596 -15.351 1.00 2.88 H new ATOM 0 HG3 PRO A 72 16.275 10.088 -13.788 1.00 2.88 H new ATOM 0 HD2 PRO A 72 17.808 11.758 -15.275 1.00 2.89 H new ATOM 0 HD3 PRO A 72 17.891 11.776 -13.524 1.00 2.89 H new ATOM 1090 N CYS A 73 19.405 8.690 -16.535 1.00 2.15 N ATOM 1091 CA CYS A 73 19.826 7.923 -17.755 1.00 1.89 C ATOM 1092 C CYS A 73 21.344 8.036 -17.926 1.00 1.81 C ATOM 1093 O CYS A 73 22.031 7.063 -18.189 1.00 1.73 O ATOM 1094 CB CYS A 73 19.090 8.576 -18.933 1.00 1.83 C ATOM 1095 SG CYS A 73 19.039 7.427 -20.333 1.00 2.14 S ATOM 0 H CYS A 73 18.753 9.456 -16.705 1.00 2.15 H new ATOM 0 HA CYS A 73 19.583 6.863 -17.685 1.00 1.89 H new ATOM 0 HB2 CYS A 73 18.077 8.848 -18.636 1.00 1.83 H new ATOM 0 HB3 CYS A 73 19.595 9.497 -19.224 1.00 1.83 H new ATOM 0 HG CYS A 73 18.413 7.983 -21.328 1.00 2.14 H new ATOM 1101 N VAL A 74 21.871 9.218 -17.741 1.00 1.96 N ATOM 1102 CA VAL A 74 23.348 9.419 -17.854 1.00 2.07 C ATOM 1103 C VAL A 74 24.035 8.759 -16.661 1.00 2.19 C ATOM 1104 O VAL A 74 25.013 8.055 -16.811 1.00 2.17 O ATOM 1105 CB VAL A 74 23.562 10.942 -17.851 1.00 2.35 C ATOM 1106 CG1 VAL A 74 25.061 11.262 -17.800 1.00 2.85 C ATOM 1107 CG2 VAL A 74 22.960 11.549 -19.124 1.00 2.30 C ATOM 0 H VAL A 74 21.339 10.059 -17.515 1.00 1.96 H new ATOM 0 HA VAL A 74 23.767 8.974 -18.756 1.00 2.07 H new ATOM 0 HB VAL A 74 23.073 11.366 -16.974 1.00 2.35 H new ATOM 0 HG11 VAL A 74 25.202 12.343 -17.798 1.00 2.85 H new ATOM 0 HG12 VAL A 74 25.493 10.838 -16.893 1.00 2.85 H new ATOM 0 HG13 VAL A 74 25.555 10.833 -18.672 1.00 2.85 H new ATOM 0 HG21 VAL A 74 23.113 12.628 -19.120 1.00 2.30 H new ATOM 0 HG22 VAL A 74 23.447 11.117 -19.998 1.00 2.30 H new ATOM 0 HG23 VAL A 74 21.892 11.334 -19.160 1.00 2.30 H new ATOM 1117 N GLU A 75 23.508 8.962 -15.479 1.00 2.36 N ATOM 1118 CA GLU A 75 24.112 8.320 -14.268 1.00 2.53 C ATOM 1119 C GLU A 75 24.162 6.802 -14.467 1.00 2.27 C ATOM 1120 O GLU A 75 25.147 6.151 -14.168 1.00 2.31 O ATOM 1121 CB GLU A 75 23.179 8.686 -13.102 1.00 2.79 C ATOM 1122 CG GLU A 75 24.007 8.981 -11.843 1.00 3.16 C ATOM 1123 CD GLU A 75 24.773 7.734 -11.416 1.00 3.13 C ATOM 1124 OE1 GLU A 75 24.168 6.868 -10.804 1.00 3.20 O ATOM 1125 OE2 GLU A 75 25.954 7.661 -11.709 1.00 3.15 O ATOM 0 H GLU A 75 22.689 9.542 -15.299 1.00 2.36 H new ATOM 0 HA GLU A 75 25.131 8.658 -14.080 1.00 2.53 H new ATOM 0 HB2 GLU A 75 22.578 9.557 -13.365 1.00 2.79 H new ATOM 0 HB3 GLU A 75 22.486 7.867 -12.909 1.00 2.79 H new ATOM 0 HG2 GLU A 75 24.704 9.796 -12.039 1.00 3.16 H new ATOM 0 HG3 GLU A 75 23.352 9.309 -11.036 1.00 3.16 H new ATOM 1132 N ARG A 76 23.108 6.244 -14.998 1.00 2.07 N ATOM 1133 CA ARG A 76 23.073 4.772 -15.250 1.00 1.90 C ATOM 1134 C ARG A 76 24.099 4.408 -16.317 1.00 1.72 C ATOM 1135 O ARG A 76 24.910 3.520 -16.139 1.00 1.72 O ATOM 1136 CB ARG A 76 21.660 4.468 -15.741 1.00 1.88 C ATOM 1137 CG ARG A 76 20.895 3.746 -14.636 1.00 2.11 C ATOM 1138 CD ARG A 76 20.263 4.785 -13.710 1.00 2.33 C ATOM 1139 NE ARG A 76 20.783 4.463 -12.345 1.00 2.53 N ATOM 1140 CZ ARG A 76 21.630 5.260 -11.760 1.00 2.70 C ATOM 1141 NH1 ARG A 76 21.243 6.418 -11.329 1.00 3.03 N ATOM 1142 NH2 ARG A 76 22.860 4.898 -11.599 1.00 2.90 N ATOM 0 H ARG A 76 22.263 6.747 -15.270 1.00 2.07 H new ATOM 0 HA ARG A 76 23.313 4.198 -14.355 1.00 1.90 H new ATOM 0 HB2 ARG A 76 21.148 5.392 -16.011 1.00 1.88 H new ATOM 0 HB3 ARG A 76 21.698 3.850 -16.638 1.00 1.88 H new ATOM 0 HG2 ARG A 76 20.124 3.107 -15.067 1.00 2.11 H new ATOM 0 HG3 ARG A 76 21.568 3.099 -14.073 1.00 2.11 H new ATOM 0 HD2 ARG A 76 20.538 5.797 -14.008 1.00 2.33 H new ATOM 0 HD3 ARG A 76 19.175 4.729 -13.740 1.00 2.33 H new ATOM 0 HE ARG A 76 20.473 3.615 -11.870 1.00 2.53 H new ATOM 0 HH11 ARG A 76 20.272 6.708 -11.447 1.00 3.03 H new ATOM 0 HH12 ARG A 76 21.909 7.040 -10.871 1.00 3.03 H new ATOM 0 HH21 ARG A 76 23.170 3.985 -11.931 1.00 2.90 H new ATOM 0 HH22 ARG A 76 23.520 5.525 -11.140 1.00 2.90 H new ATOM 1156 N LYS A 77 24.073 5.107 -17.425 1.00 1.66 N ATOM 1157 CA LYS A 77 25.058 4.825 -18.517 1.00 1.69 C ATOM 1158 C LYS A 77 26.482 4.967 -17.975 1.00 1.90 C ATOM 1159 O LYS A 77 27.355 4.167 -18.269 1.00 1.96 O ATOM 1160 CB LYS A 77 24.772 5.863 -19.604 1.00 1.75 C ATOM 1161 CG LYS A 77 23.914 5.231 -20.697 1.00 1.76 C ATOM 1162 CD LYS A 77 24.776 4.873 -21.912 1.00 2.05 C ATOM 1163 CE LYS A 77 25.473 3.535 -21.677 1.00 2.28 C ATOM 1164 NZ LYS A 77 26.942 3.827 -21.727 1.00 2.94 N ATOM 0 H LYS A 77 23.413 5.860 -17.621 1.00 1.66 H new ATOM 0 HA LYS A 77 24.967 3.813 -18.911 1.00 1.69 H new ATOM 0 HB2 LYS A 77 24.258 6.723 -19.175 1.00 1.75 H new ATOM 0 HB3 LYS A 77 25.707 6.230 -20.027 1.00 1.75 H new ATOM 0 HG2 LYS A 77 23.426 4.335 -20.313 1.00 1.76 H new ATOM 0 HG3 LYS A 77 23.125 5.922 -20.994 1.00 1.76 H new ATOM 0 HD2 LYS A 77 24.155 4.818 -22.806 1.00 2.05 H new ATOM 0 HD3 LYS A 77 25.517 5.653 -22.086 1.00 2.05 H new ATOM 0 HE2 LYS A 77 25.191 3.111 -20.713 1.00 2.28 H new ATOM 0 HE3 LYS A 77 25.192 2.808 -22.439 1.00 2.28 H new ATOM 0 HZ1 LYS A 77 27.475 2.935 -21.692 1.00 2.94 H new ATOM 0 HZ2 LYS A 77 27.166 4.329 -22.610 1.00 2.94 H new ATOM 0 HZ3 LYS A 77 27.206 4.420 -20.915 1.00 2.94 H new ATOM 1178 N ALA A 78 26.704 5.970 -17.170 1.00 2.10 N ATOM 1179 CA ALA A 78 28.053 6.192 -16.570 1.00 2.41 C ATOM 1180 C ALA A 78 28.387 5.059 -15.596 1.00 2.38 C ATOM 1181 O ALA A 78 29.487 4.550 -15.595 1.00 2.52 O ATOM 1182 CB ALA A 78 27.951 7.530 -15.838 1.00 2.67 C ATOM 0 H ALA A 78 25.999 6.655 -16.898 1.00 2.10 H new ATOM 0 HA ALA A 78 28.844 6.206 -17.320 1.00 2.41 H new ATOM 0 HB1 ALA A 78 28.907 7.762 -15.370 1.00 2.67 H new ATOM 0 HB2 ALA A 78 27.695 8.315 -16.549 1.00 2.67 H new ATOM 0 HB3 ALA A 78 27.178 7.468 -15.072 1.00 2.67 H new ATOM 1188 N LYS A 79 27.448 4.659 -14.784 1.00 2.26 N ATOM 1189 CA LYS A 79 27.711 3.539 -13.814 1.00 2.27 C ATOM 1190 C LYS A 79 27.886 2.224 -14.573 1.00 2.03 C ATOM 1191 O LYS A 79 28.826 1.490 -14.350 1.00 2.11 O ATOM 1192 CB LYS A 79 26.471 3.466 -12.912 1.00 2.29 C ATOM 1193 CG LYS A 79 26.479 4.619 -11.906 1.00 2.65 C ATOM 1194 CD LYS A 79 27.833 4.683 -11.194 1.00 2.94 C ATOM 1195 CE LYS A 79 28.721 5.726 -11.874 1.00 3.12 C ATOM 1196 NZ LYS A 79 28.286 7.025 -11.291 1.00 3.36 N ATOM 0 H LYS A 79 26.508 5.054 -14.744 1.00 2.26 H new ATOM 0 HA LYS A 79 28.619 3.710 -13.235 1.00 2.27 H new ATOM 0 HB2 LYS A 79 25.567 3.511 -13.520 1.00 2.29 H new ATOM 0 HB3 LYS A 79 26.453 2.513 -12.383 1.00 2.29 H new ATOM 0 HG2 LYS A 79 26.283 5.561 -12.418 1.00 2.65 H new ATOM 0 HG3 LYS A 79 25.681 4.481 -11.176 1.00 2.65 H new ATOM 0 HD2 LYS A 79 27.691 4.940 -10.144 1.00 2.94 H new ATOM 0 HD3 LYS A 79 28.316 3.706 -11.221 1.00 2.94 H new ATOM 0 HE2 LYS A 79 29.776 5.537 -11.678 1.00 3.12 H new ATOM 0 HE3 LYS A 79 28.590 5.713 -12.956 1.00 3.12 H new ATOM 0 HZ1 LYS A 79 28.988 7.759 -11.516 1.00 3.36 H new ATOM 0 HZ2 LYS A 79 27.364 7.294 -11.691 1.00 3.36 H new ATOM 0 HZ3 LYS A 79 28.202 6.931 -10.259 1.00 3.36 H new ATOM 1210 N LEU A 80 26.987 1.928 -15.477 1.00 1.80 N ATOM 1211 CA LEU A 80 27.099 0.667 -16.266 1.00 1.72 C ATOM 1212 C LEU A 80 28.445 0.635 -16.992 1.00 1.96 C ATOM 1213 O LEU A 80 29.165 -0.343 -16.953 1.00 2.06 O ATOM 1214 CB LEU A 80 25.934 0.721 -17.259 1.00 1.63 C ATOM 1215 CG LEU A 80 25.869 -0.587 -18.051 1.00 1.73 C ATOM 1216 CD1 LEU A 80 24.775 -1.483 -17.471 1.00 1.87 C ATOM 1217 CD2 LEU A 80 25.556 -0.275 -19.517 1.00 1.99 C ATOM 0 H LEU A 80 26.179 2.508 -15.702 1.00 1.80 H new ATOM 0 HA LEU A 80 27.053 -0.229 -15.647 1.00 1.72 H new ATOM 0 HB2 LEU A 80 24.997 0.881 -16.726 1.00 1.63 H new ATOM 0 HB3 LEU A 80 26.062 1.563 -17.939 1.00 1.63 H new ATOM 0 HG LEU A 80 26.827 -1.102 -17.985 1.00 1.73 H new ATOM 0 HD11 LEU A 80 24.730 -2.414 -18.036 1.00 1.87 H new ATOM 0 HD12 LEU A 80 25.000 -1.702 -16.427 1.00 1.87 H new ATOM 0 HD13 LEU A 80 23.814 -0.972 -17.536 1.00 1.87 H new ATOM 0 HD21 LEU A 80 25.509 -1.204 -20.085 1.00 1.99 H new ATOM 0 HD22 LEU A 80 24.597 0.240 -19.583 1.00 1.99 H new ATOM 0 HD23 LEU A 80 26.339 0.362 -19.929 1.00 1.99 H new ATOM 1229 N MET A 81 28.791 1.719 -17.631 1.00 2.13 N ATOM 1230 CA MET A 81 30.103 1.795 -18.346 1.00 2.49 C ATOM 1231 C MET A 81 31.246 1.802 -17.321 1.00 2.71 C ATOM 1232 O MET A 81 32.142 0.982 -17.361 1.00 2.90 O ATOM 1233 CB MET A 81 30.062 3.119 -19.113 1.00 2.68 C ATOM 1234 CG MET A 81 31.023 3.045 -20.298 1.00 2.99 C ATOM 1235 SD MET A 81 30.113 3.306 -21.838 1.00 3.07 S ATOM 1236 CE MET A 81 31.500 3.006 -22.959 1.00 3.75 C ATOM 0 H MET A 81 28.220 2.562 -17.690 1.00 2.13 H new ATOM 0 HA MET A 81 30.268 0.948 -19.012 1.00 2.49 H new ATOM 0 HB2 MET A 81 29.049 3.319 -19.463 1.00 2.68 H new ATOM 0 HB3 MET A 81 30.340 3.942 -18.455 1.00 2.68 H new ATOM 0 HG2 MET A 81 31.803 3.799 -20.193 1.00 2.99 H new ATOM 0 HG3 MET A 81 31.518 2.074 -20.317 1.00 2.99 H new ATOM 0 HE1 MET A 81 31.165 3.115 -23.990 1.00 3.75 H new ATOM 0 HE2 MET A 81 32.293 3.726 -22.757 1.00 3.75 H new ATOM 0 HE3 MET A 81 31.879 1.996 -22.806 1.00 3.75 H new ATOM 1246 N THR A 82 31.199 2.726 -16.397 1.00 2.75 N ATOM 1247 CA THR A 82 32.251 2.819 -15.339 1.00 3.05 C ATOM 1248 C THR A 82 31.587 2.850 -13.962 1.00 2.97 C ATOM 1249 O THR A 82 31.146 3.893 -13.514 1.00 3.08 O ATOM 1250 CB THR A 82 32.997 4.149 -15.565 1.00 3.47 C ATOM 1251 OG1 THR A 82 32.338 4.931 -16.552 1.00 3.29 O ATOM 1252 CG2 THR A 82 34.427 3.875 -16.016 1.00 4.46 C ATOM 0 H THR A 82 30.465 3.431 -16.329 1.00 2.75 H new ATOM 0 HA THR A 82 32.930 1.967 -15.387 1.00 3.05 H new ATOM 0 HB THR A 82 33.008 4.698 -14.624 1.00 3.47 H new ATOM 0 HG1 THR A 82 32.824 5.772 -16.681 1.00 3.29 H new ATOM 0 HG21 THR A 82 34.946 4.820 -16.173 1.00 4.46 H new ATOM 0 HG22 THR A 82 34.946 3.299 -15.250 1.00 4.46 H new ATOM 0 HG23 THR A 82 34.413 3.310 -16.948 1.00 4.46 H new ATOM 1260 N PRO A 83 31.545 1.715 -13.318 1.00 2.91 N ATOM 1261 CA PRO A 83 30.942 1.649 -11.962 1.00 3.01 C ATOM 1262 C PRO A 83 31.810 2.420 -10.950 1.00 3.47 C ATOM 1263 O PRO A 83 31.407 2.636 -9.822 1.00 3.66 O ATOM 1264 CB PRO A 83 30.915 0.152 -11.657 1.00 2.95 C ATOM 1265 CG PRO A 83 31.997 -0.428 -12.512 1.00 2.97 C ATOM 1266 CD PRO A 83 32.041 0.405 -13.765 1.00 2.90 C ATOM 0 HA PRO A 83 29.952 2.101 -11.904 1.00 3.01 H new ATOM 0 HB2 PRO A 83 31.099 -0.040 -10.600 1.00 2.95 H new ATOM 0 HB3 PRO A 83 29.945 -0.284 -11.896 1.00 2.95 H new ATOM 0 HG2 PRO A 83 32.956 -0.403 -11.995 1.00 2.97 H new ATOM 0 HG3 PRO A 83 31.789 -1.472 -12.747 1.00 2.97 H new ATOM 0 HD2 PRO A 83 33.052 0.473 -14.167 1.00 2.90 H new ATOM 0 HD3 PRO A 83 31.413 -0.016 -14.550 1.00 2.90 H new ATOM 1274 N ASN A 84 33.005 2.825 -11.351 1.00 3.75 N ATOM 1275 CA ASN A 84 33.936 3.580 -10.446 1.00 4.27 C ATOM 1276 C ASN A 84 34.500 2.655 -9.354 1.00 4.57 C ATOM 1277 O ASN A 84 35.686 2.659 -9.088 1.00 4.98 O ATOM 1278 CB ASN A 84 33.102 4.726 -9.848 1.00 4.26 C ATOM 1279 CG ASN A 84 33.868 6.050 -9.973 1.00 4.60 C ATOM 1280 OD1 ASN A 84 35.078 6.074 -9.919 1.00 4.90 O ATOM 1281 ND2 ASN A 84 33.213 7.162 -10.136 1.00 4.68 N ATOM 0 H ASN A 84 33.375 2.658 -12.287 1.00 3.75 H new ATOM 0 HA ASN A 84 34.800 3.970 -10.985 1.00 4.27 H new ATOM 0 HB2 ASN A 84 32.145 4.799 -10.365 1.00 4.26 H new ATOM 0 HB3 ASN A 84 32.883 4.520 -8.800 1.00 4.26 H new ATOM 0 HD21 ASN A 84 33.718 8.044 -10.217 1.00 4.68 H new ATOM 0 HD22 ASN A 84 32.194 7.152 -10.183 1.00 4.68 H new ATOM 1288 N GLY A 85 33.666 1.865 -8.728 1.00 4.44 N ATOM 1289 CA GLY A 85 34.149 0.940 -7.661 1.00 4.81 C ATOM 1290 C GLY A 85 33.598 1.410 -6.320 1.00 5.00 C ATOM 1291 O GLY A 85 32.562 0.947 -5.886 1.00 4.92 O ATOM 0 H GLY A 85 32.664 1.821 -8.912 1.00 4.44 H new ATOM 0 HA2 GLY A 85 33.822 -0.079 -7.868 1.00 4.81 H new ATOM 0 HA3 GLY A 85 35.239 0.926 -7.638 1.00 4.81 H new ATOM 1295 N PRO A 86 34.298 2.333 -5.704 1.00 5.34 N ATOM 1296 CA PRO A 86 33.843 2.869 -4.402 1.00 5.61 C ATOM 1297 C PRO A 86 32.687 3.863 -4.579 1.00 5.35 C ATOM 1298 O PRO A 86 31.934 4.104 -3.659 1.00 5.55 O ATOM 1299 CB PRO A 86 35.085 3.555 -3.842 1.00 6.06 C ATOM 1300 CG PRO A 86 35.915 3.912 -5.038 1.00 5.98 C ATOM 1301 CD PRO A 86 35.557 2.953 -6.149 1.00 5.60 C ATOM 0 HA PRO A 86 33.455 2.095 -3.740 1.00 5.61 H new ATOM 0 HB2 PRO A 86 34.819 4.443 -3.269 1.00 6.06 H new ATOM 0 HB3 PRO A 86 35.630 2.893 -3.169 1.00 6.06 H new ATOM 0 HG2 PRO A 86 35.723 4.940 -5.344 1.00 5.98 H new ATOM 0 HG3 PRO A 86 36.977 3.843 -4.801 1.00 5.98 H new ATOM 0 HD2 PRO A 86 35.430 3.474 -7.098 1.00 5.60 H new ATOM 0 HD3 PRO A 86 36.337 2.206 -6.297 1.00 5.60 H new ATOM 1309 N GLU A 87 32.525 4.432 -5.745 1.00 4.99 N ATOM 1310 CA GLU A 87 31.396 5.399 -5.950 1.00 4.80 C ATOM 1311 C GLU A 87 30.050 4.718 -5.661 1.00 4.75 C ATOM 1312 O GLU A 87 29.201 5.264 -4.982 1.00 4.93 O ATOM 1313 CB GLU A 87 31.490 5.840 -7.411 1.00 4.40 C ATOM 1314 CG GLU A 87 30.856 7.226 -7.555 1.00 4.35 C ATOM 1315 CD GLU A 87 30.090 7.307 -8.869 1.00 3.97 C ATOM 1316 OE1 GLU A 87 30.695 7.649 -9.870 1.00 4.03 O ATOM 1317 OE2 GLU A 87 28.905 7.016 -8.867 1.00 3.77 O ATOM 0 H GLU A 87 33.118 4.274 -6.560 1.00 4.99 H new ATOM 0 HA GLU A 87 31.463 6.253 -5.276 1.00 4.80 H new ATOM 0 HB2 GLU A 87 32.532 5.868 -7.730 1.00 4.40 H new ATOM 0 HB3 GLU A 87 30.979 5.124 -8.054 1.00 4.40 H new ATOM 0 HG2 GLU A 87 30.184 7.417 -6.719 1.00 4.35 H new ATOM 0 HG3 GLU A 87 31.628 7.995 -7.525 1.00 4.35 H new ATOM 1324 N VAL A 88 29.863 3.523 -6.158 1.00 4.66 N ATOM 1325 CA VAL A 88 28.590 2.776 -5.906 1.00 4.79 C ATOM 1326 C VAL A 88 28.727 1.868 -4.665 1.00 5.29 C ATOM 1327 O VAL A 88 27.756 1.303 -4.196 1.00 5.62 O ATOM 1328 CB VAL A 88 28.367 1.922 -7.164 1.00 4.49 C ATOM 1329 CG1 VAL A 88 28.239 2.822 -8.395 1.00 4.15 C ATOM 1330 CG2 VAL A 88 29.541 0.952 -7.362 1.00 4.49 C ATOM 0 H VAL A 88 30.543 3.026 -6.733 1.00 4.66 H new ATOM 0 HA VAL A 88 27.757 3.453 -5.714 1.00 4.79 H new ATOM 0 HB VAL A 88 27.447 1.351 -7.036 1.00 4.49 H new ATOM 0 HG11 VAL A 88 28.081 2.207 -9.281 1.00 4.15 H new ATOM 0 HG12 VAL A 88 27.392 3.496 -8.266 1.00 4.15 H new ATOM 0 HG13 VAL A 88 29.152 3.405 -8.516 1.00 4.15 H new ATOM 0 HG21 VAL A 88 29.371 0.353 -8.256 1.00 4.49 H new ATOM 0 HG22 VAL A 88 30.466 1.518 -7.475 1.00 4.49 H new ATOM 0 HG23 VAL A 88 29.621 0.296 -6.495 1.00 4.49 H new ATOM 1340 N HIS A 89 29.925 1.712 -4.143 1.00 5.45 N ATOM 1341 CA HIS A 89 30.127 0.830 -2.951 1.00 5.98 C ATOM 1342 C HIS A 89 30.493 1.666 -1.711 1.00 6.13 C ATOM 1343 O HIS A 89 29.794 1.658 -0.714 1.00 6.40 O ATOM 1344 CB HIS A 89 31.293 -0.077 -3.365 1.00 6.22 C ATOM 1345 CG HIS A 89 31.736 -0.924 -2.205 1.00 6.78 C ATOM 1346 ND1 HIS A 89 32.632 -0.468 -1.246 1.00 7.02 N ATOM 1347 CD2 HIS A 89 31.422 -2.208 -1.844 1.00 7.23 C ATOM 1348 CE1 HIS A 89 32.820 -1.466 -0.365 1.00 7.54 C ATOM 1349 NE2 HIS A 89 32.107 -2.549 -0.682 1.00 7.69 N ATOM 0 H HIS A 89 30.771 2.160 -4.495 1.00 5.45 H new ATOM 0 HA HIS A 89 29.233 0.269 -2.680 1.00 5.98 H new ATOM 0 HB2 HIS A 89 30.989 -0.716 -4.194 1.00 6.22 H new ATOM 0 HB3 HIS A 89 32.126 0.530 -3.719 1.00 6.22 H new ATOM 0 HD1 HIS A 89 33.067 0.454 -1.216 1.00 7.02 H new ATOM 0 HD2 HIS A 89 30.745 -2.857 -2.380 1.00 7.23 H new ATOM 0 HE1 HIS A 89 33.469 -1.399 0.495 1.00 7.54 H new ATOM 1357 N GLY A 90 31.593 2.367 -1.774 1.00 6.07 N ATOM 1358 CA GLY A 90 32.057 3.200 -0.625 1.00 6.32 C ATOM 1359 C GLY A 90 33.527 2.879 -0.335 1.00 6.57 C ATOM 1360 O GLY A 90 34.208 3.741 0.193 1.00 6.65 O ATOM 1361 OXT GLY A 90 33.951 1.775 -0.656 1.00 6.79 O ATOM 0 H GLY A 90 32.203 2.398 -2.591 1.00 6.07 H new ATOM 0 HA2 GLY A 90 31.942 4.259 -0.857 1.00 6.32 H new ATOM 0 HA3 GLY A 90 31.447 2.999 0.256 1.00 6.32 H new TER 1365 GLY A 90