USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=22 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= 0.142 K(o=1.2,f=-21!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ -144:sc= 1.05 (180deg=0.245) USER MOD Set 2.1: A 2 SER OG : rot -117:sc= 0.989 USER MOD Set 2.2: A 9 SER OG : rot -164:sc= 0.381 USER MOD Single : A 1 GLY N :NH3+ -145:sc= 1.99 (180deg=-0.876!) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= -0.194 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 11 THR OG1 : rot 145:sc= 0.993 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.00643 USER MOD Single : A 16 THR OG1 : rot 99:sc= 1.16 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 150:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.302 K(o=-0.3,f=-9.2!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0.256 K(o=0.26,f=-8.6!) USER MOD Single : A 46 SER OG : rot -165:sc= -0.19 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -164:sc= 1.37 USER MOD Single : A 59 LYS NZ :NH3+ -136:sc= 0.303! (180deg=-5.25!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 110:sc= 1.04 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 176:sc= 0.876 (180deg=0.784) USER MOD Single : A 79 LYS NZ :NH3+ 141:sc= 1.64 (180deg=0.816) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -45:sc= 1.08 USER MOD Single : A 84 ASN : amide:sc=-0.00699 X(o=-0.007,f=0) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.567 -32.273 -3.516 1.00 2.77 N ATOM 2 CA GLY A 1 -6.474 -31.086 -3.431 1.00 2.91 C ATOM 3 C GLY A 1 -5.711 -29.827 -3.851 1.00 2.55 C ATOM 4 O GLY A 1 -5.306 -29.701 -4.988 1.00 2.32 O ATOM 0 H1 GLY A 1 -6.112 -33.105 -3.819 1.00 2.77 H new ATOM 0 H2 GLY A 1 -4.811 -32.084 -4.205 1.00 2.77 H new ATOM 0 H3 GLY A 1 -5.146 -32.456 -2.583 1.00 2.77 H new ATOM 0 HA2 GLY A 1 -7.341 -31.231 -4.076 1.00 2.91 H new ATOM 0 HA3 GLY A 1 -6.849 -30.974 -2.414 1.00 2.91 H new ATOM 10 N SER A 2 -5.501 -28.903 -2.942 1.00 2.55 N ATOM 11 CA SER A 2 -4.750 -27.652 -3.289 1.00 2.24 C ATOM 12 C SER A 2 -4.567 -26.763 -2.049 1.00 2.32 C ATOM 13 O SER A 2 -5.048 -25.648 -1.999 1.00 2.48 O ATOM 14 CB SER A 2 -5.604 -26.931 -4.336 1.00 2.42 C ATOM 15 OG SER A 2 -4.980 -27.045 -5.613 1.00 2.39 O ATOM 0 H SER A 2 -5.817 -28.961 -1.974 1.00 2.55 H new ATOM 0 HA SER A 2 -3.753 -27.880 -3.665 1.00 2.24 H new ATOM 0 HB2 SER A 2 -6.604 -27.364 -4.367 1.00 2.42 H new ATOM 0 HB3 SER A 2 -5.719 -25.881 -4.067 1.00 2.42 H new ATOM 0 HG SER A 2 -4.735 -26.154 -5.938 1.00 2.39 H new ATOM 21 N MET A 3 -3.876 -27.246 -1.050 1.00 2.31 N ATOM 22 CA MET A 3 -3.666 -26.421 0.180 1.00 2.48 C ATOM 23 C MET A 3 -2.264 -25.781 0.151 1.00 2.20 C ATOM 24 O MET A 3 -2.064 -24.753 -0.463 1.00 2.19 O ATOM 25 CB MET A 3 -3.818 -27.409 1.344 1.00 2.80 C ATOM 26 CG MET A 3 -5.299 -27.735 1.556 1.00 3.19 C ATOM 27 SD MET A 3 -5.695 -27.588 3.313 1.00 3.50 S ATOM 28 CE MET A 3 -7.451 -27.990 3.179 1.00 3.94 C ATOM 0 H MET A 3 -3.449 -28.172 -1.031 1.00 2.31 H new ATOM 0 HA MET A 3 -4.374 -25.597 0.267 1.00 2.48 H new ATOM 0 HB2 MET A 3 -3.262 -28.322 1.133 1.00 2.80 H new ATOM 0 HB3 MET A 3 -3.396 -26.981 2.254 1.00 2.80 H new ATOM 0 HG2 MET A 3 -5.920 -27.055 0.973 1.00 3.19 H new ATOM 0 HG3 MET A 3 -5.515 -28.744 1.206 1.00 3.19 H new ATOM 0 HE1 MET A 3 -7.908 -27.958 4.168 1.00 3.94 H new ATOM 0 HE2 MET A 3 -7.942 -27.265 2.529 1.00 3.94 H new ATOM 0 HE3 MET A 3 -7.564 -28.989 2.759 1.00 3.94 H new ATOM 38 N SER A 4 -1.295 -26.382 0.796 1.00 2.16 N ATOM 39 CA SER A 4 0.088 -25.803 0.789 1.00 2.05 C ATOM 40 C SER A 4 1.109 -26.875 0.404 1.00 1.98 C ATOM 41 O SER A 4 1.932 -26.679 -0.471 1.00 1.81 O ATOM 42 CB SER A 4 0.326 -25.306 2.216 1.00 2.42 C ATOM 43 OG SER A 4 0.235 -26.399 3.126 1.00 2.65 O ATOM 0 H SER A 4 -1.399 -27.247 1.327 1.00 2.16 H new ATOM 0 HA SER A 4 0.193 -24.997 0.063 1.00 2.05 H new ATOM 0 HB2 SER A 4 1.308 -24.839 2.290 1.00 2.42 H new ATOM 0 HB3 SER A 4 -0.409 -24.544 2.473 1.00 2.42 H new ATOM 0 HG SER A 4 0.390 -26.078 4.039 1.00 2.65 H new ATOM 49 N ILE A 5 1.053 -28.004 1.055 1.00 2.23 N ATOM 50 CA ILE A 5 2.005 -29.116 0.748 1.00 2.30 C ATOM 51 C ILE A 5 1.664 -29.761 -0.616 1.00 2.01 C ATOM 52 O ILE A 5 0.931 -29.203 -1.414 1.00 1.74 O ATOM 53 CB ILE A 5 1.869 -30.124 1.919 1.00 2.73 C ATOM 54 CG1 ILE A 5 0.396 -30.417 2.273 1.00 2.84 C ATOM 55 CG2 ILE A 5 2.551 -29.545 3.160 1.00 3.05 C ATOM 56 CD1 ILE A 5 -0.347 -30.989 1.064 1.00 2.62 C ATOM 0 H ILE A 5 0.382 -28.208 1.795 1.00 2.23 H new ATOM 0 HA ILE A 5 3.033 -28.764 0.663 1.00 2.30 H new ATOM 0 HB ILE A 5 2.337 -31.056 1.602 1.00 2.73 H new ATOM 0 HG12 ILE A 5 0.350 -31.123 3.102 1.00 2.84 H new ATOM 0 HG13 ILE A 5 -0.092 -29.501 2.606 1.00 2.84 H new ATOM 0 HG21 ILE A 5 2.459 -30.249 3.987 1.00 3.05 H new ATOM 0 HG22 ILE A 5 3.606 -29.370 2.947 1.00 3.05 H new ATOM 0 HG23 ILE A 5 2.075 -28.603 3.431 1.00 3.05 H new ATOM 0 HD11 ILE A 5 -1.384 -31.189 1.335 1.00 2.62 H new ATOM 0 HD12 ILE A 5 -0.318 -30.270 0.245 1.00 2.62 H new ATOM 0 HD13 ILE A 5 0.131 -31.917 0.749 1.00 2.62 H new ATOM 68 N MET A 6 2.202 -30.923 -0.901 1.00 2.15 N ATOM 69 CA MET A 6 1.921 -31.592 -2.217 1.00 1.95 C ATOM 70 C MET A 6 0.479 -32.138 -2.275 1.00 1.94 C ATOM 71 O MET A 6 0.230 -33.301 -2.029 1.00 2.22 O ATOM 72 CB MET A 6 2.938 -32.735 -2.312 1.00 2.26 C ATOM 73 CG MET A 6 4.092 -32.332 -3.236 1.00 2.36 C ATOM 74 SD MET A 6 5.103 -33.786 -3.615 1.00 3.03 S ATOM 75 CE MET A 6 5.665 -33.246 -5.243 1.00 3.58 C ATOM 0 H MET A 6 2.825 -31.440 -0.280 1.00 2.15 H new ATOM 0 HA MET A 6 2.011 -30.892 -3.048 1.00 1.95 H new ATOM 0 HB2 MET A 6 3.322 -32.975 -1.320 1.00 2.26 H new ATOM 0 HB3 MET A 6 2.453 -33.634 -2.693 1.00 2.26 H new ATOM 0 HG2 MET A 6 3.700 -31.899 -4.156 1.00 2.36 H new ATOM 0 HG3 MET A 6 4.703 -31.566 -2.758 1.00 2.36 H new ATOM 0 HE1 MET A 6 6.317 -34.006 -5.674 1.00 3.58 H new ATOM 0 HE2 MET A 6 4.804 -33.096 -5.894 1.00 3.58 H new ATOM 0 HE3 MET A 6 6.214 -32.310 -5.146 1.00 3.58 H new ATOM 85 N ASP A 7 -0.465 -31.299 -2.620 1.00 1.76 N ATOM 86 CA ASP A 7 -1.893 -31.752 -2.717 1.00 1.96 C ATOM 87 C ASP A 7 -2.238 -32.138 -4.170 1.00 1.85 C ATOM 88 O ASP A 7 -3.352 -31.934 -4.627 1.00 2.02 O ATOM 89 CB ASP A 7 -2.711 -30.530 -2.271 1.00 2.01 C ATOM 90 CG ASP A 7 -3.770 -30.933 -1.239 1.00 2.43 C ATOM 91 OD1 ASP A 7 -4.295 -32.034 -1.340 1.00 2.67 O ATOM 92 OD2 ASP A 7 -4.058 -30.119 -0.382 1.00 2.58 O ATOM 0 H ASP A 7 -0.311 -30.315 -2.840 1.00 1.76 H new ATOM 0 HA ASP A 7 -2.096 -32.632 -2.107 1.00 1.96 H new ATOM 0 HB2 ASP A 7 -2.047 -29.778 -1.844 1.00 2.01 H new ATOM 0 HB3 ASP A 7 -3.194 -30.074 -3.136 1.00 2.01 H new ATOM 97 N HIS A 8 -1.283 -32.674 -4.906 1.00 1.69 N ATOM 98 CA HIS A 8 -1.531 -33.052 -6.340 1.00 1.69 C ATOM 99 C HIS A 8 -1.889 -31.794 -7.153 1.00 1.58 C ATOM 100 O HIS A 8 -2.679 -31.836 -8.079 1.00 1.90 O ATOM 101 CB HIS A 8 -2.701 -34.045 -6.314 1.00 2.03 C ATOM 102 CG HIS A 8 -2.488 -35.101 -7.366 1.00 2.20 C ATOM 103 ND1 HIS A 8 -2.277 -36.434 -7.048 1.00 2.40 N ATOM 104 CD2 HIS A 8 -2.450 -35.031 -8.736 1.00 2.71 C ATOM 105 CE1 HIS A 8 -2.122 -37.107 -8.203 1.00 2.66 C ATOM 106 NE2 HIS A 8 -2.218 -36.299 -9.263 1.00 2.74 N ATOM 0 H HIS A 8 -0.339 -32.866 -4.571 1.00 1.69 H new ATOM 0 HA HIS A 8 -0.653 -33.498 -6.808 1.00 1.69 H new ATOM 0 HB2 HIS A 8 -2.777 -34.507 -5.330 1.00 2.03 H new ATOM 0 HB3 HIS A 8 -3.640 -33.522 -6.494 1.00 2.03 H new ATOM 0 HD2 HIS A 8 -2.580 -34.130 -9.317 1.00 2.71 H new ATOM 0 HE1 HIS A 8 -1.942 -38.170 -8.266 1.00 2.66 H new ATOM 0 HE2 HIS A 8 -2.138 -36.556 -10.247 1.00 2.74 H new ATOM 114 N SER A 9 -1.303 -30.679 -6.800 1.00 1.30 N ATOM 115 CA SER A 9 -1.578 -29.401 -7.515 1.00 1.33 C ATOM 116 C SER A 9 -0.449 -28.395 -7.213 1.00 1.08 C ATOM 117 O SER A 9 0.383 -28.647 -6.360 1.00 0.96 O ATOM 118 CB SER A 9 -2.932 -28.926 -6.959 1.00 1.60 C ATOM 119 OG SER A 9 -2.806 -27.622 -6.392 1.00 1.54 O ATOM 0 H SER A 9 -0.635 -30.601 -6.033 1.00 1.30 H new ATOM 0 HA SER A 9 -1.617 -29.509 -8.599 1.00 1.33 H new ATOM 0 HB2 SER A 9 -3.675 -28.913 -7.756 1.00 1.60 H new ATOM 0 HB3 SER A 9 -3.288 -29.626 -6.203 1.00 1.60 H new ATOM 0 HG SER A 9 -3.581 -27.437 -5.821 1.00 1.54 H new ATOM 125 N PRO A 10 -0.449 -27.289 -7.923 1.00 1.20 N ATOM 126 CA PRO A 10 0.603 -26.250 -7.718 1.00 1.16 C ATOM 127 C PRO A 10 0.361 -25.473 -6.410 1.00 1.01 C ATOM 128 O PRO A 10 0.258 -24.256 -6.401 1.00 1.18 O ATOM 129 CB PRO A 10 0.439 -25.339 -8.925 1.00 1.53 C ATOM 130 CG PRO A 10 -0.984 -25.513 -9.359 1.00 1.73 C ATOM 131 CD PRO A 10 -1.406 -26.906 -8.966 1.00 1.56 C ATOM 0 HA PRO A 10 1.605 -26.671 -7.633 1.00 1.16 H new ATOM 0 HB2 PRO A 10 0.647 -24.301 -8.666 1.00 1.53 H new ATOM 0 HB3 PRO A 10 1.130 -25.613 -9.722 1.00 1.53 H new ATOM 0 HG2 PRO A 10 -1.624 -24.769 -8.884 1.00 1.73 H new ATOM 0 HG3 PRO A 10 -1.077 -25.373 -10.436 1.00 1.73 H new ATOM 0 HD2 PRO A 10 -2.430 -26.922 -8.593 1.00 1.56 H new ATOM 0 HD3 PRO A 10 -1.365 -27.589 -9.814 1.00 1.56 H new ATOM 139 N THR A 11 0.280 -26.171 -5.310 1.00 0.86 N ATOM 140 CA THR A 11 0.046 -25.505 -3.991 1.00 0.92 C ATOM 141 C THR A 11 1.224 -24.596 -3.625 1.00 0.90 C ATOM 142 O THR A 11 1.043 -23.435 -3.310 1.00 0.88 O ATOM 143 CB THR A 11 -0.076 -26.653 -2.985 1.00 1.15 C ATOM 144 OG1 THR A 11 1.007 -27.556 -3.162 1.00 1.19 O ATOM 145 CG2 THR A 11 -1.393 -27.395 -3.205 1.00 1.35 C ATOM 0 H THR A 11 0.367 -27.186 -5.266 1.00 0.86 H new ATOM 0 HA THR A 11 -0.842 -24.873 -4.006 1.00 0.92 H new ATOM 0 HB THR A 11 -0.054 -26.247 -1.974 1.00 1.15 H new ATOM 0 HG1 THR A 11 1.281 -27.913 -2.291 1.00 1.19 H new ATOM 0 HG21 THR A 11 -1.475 -28.211 -2.487 1.00 1.35 H new ATOM 0 HG22 THR A 11 -2.226 -26.706 -3.068 1.00 1.35 H new ATOM 0 HG23 THR A 11 -1.419 -27.799 -4.217 1.00 1.35 H new ATOM 153 N THR A 12 2.427 -25.111 -3.674 1.00 1.07 N ATOM 154 CA THR A 12 3.627 -24.282 -3.339 1.00 1.28 C ATOM 155 C THR A 12 3.675 -23.030 -4.220 1.00 1.18 C ATOM 156 O THR A 12 4.048 -21.958 -3.777 1.00 1.24 O ATOM 157 CB THR A 12 4.830 -25.185 -3.621 1.00 1.60 C ATOM 158 OG1 THR A 12 4.697 -25.750 -4.919 1.00 1.55 O ATOM 159 CG2 THR A 12 4.896 -26.305 -2.578 1.00 1.99 C ATOM 0 H THR A 12 2.631 -26.076 -3.933 1.00 1.07 H new ATOM 0 HA THR A 12 3.611 -23.938 -2.305 1.00 1.28 H new ATOM 0 HB THR A 12 5.745 -24.596 -3.569 1.00 1.60 H new ATOM 0 HG1 THR A 12 5.466 -26.328 -5.105 1.00 1.55 H new ATOM 0 HG21 THR A 12 5.754 -26.944 -2.784 1.00 1.99 H new ATOM 0 HG22 THR A 12 4.998 -25.871 -1.584 1.00 1.99 H new ATOM 0 HG23 THR A 12 3.983 -26.898 -2.623 1.00 1.99 H new ATOM 167 N GLY A 13 3.284 -23.160 -5.460 1.00 1.16 N ATOM 168 CA GLY A 13 3.282 -21.983 -6.384 1.00 1.30 C ATOM 169 C GLY A 13 2.160 -21.031 -5.979 1.00 1.09 C ATOM 170 O GLY A 13 2.386 -19.855 -5.753 1.00 1.15 O ATOM 0 H GLY A 13 2.964 -24.034 -5.877 1.00 1.16 H new ATOM 0 HA2 GLY A 13 4.243 -21.471 -6.342 1.00 1.30 H new ATOM 0 HA3 GLY A 13 3.142 -22.313 -7.413 1.00 1.30 H new ATOM 174 N VAL A 14 0.954 -21.537 -5.861 1.00 0.96 N ATOM 175 CA VAL A 14 -0.191 -20.669 -5.442 1.00 0.97 C ATOM 176 C VAL A 14 0.139 -20.013 -4.096 1.00 0.75 C ATOM 177 O VAL A 14 -0.126 -18.848 -3.885 1.00 0.79 O ATOM 178 CB VAL A 14 -1.393 -21.615 -5.314 1.00 1.09 C ATOM 179 CG1 VAL A 14 -2.520 -20.928 -4.534 1.00 1.31 C ATOM 180 CG2 VAL A 14 -1.906 -21.986 -6.709 1.00 1.41 C ATOM 0 H VAL A 14 0.715 -22.513 -6.037 1.00 0.96 H new ATOM 0 HA VAL A 14 -0.397 -19.868 -6.152 1.00 0.97 H new ATOM 0 HB VAL A 14 -1.079 -22.514 -4.783 1.00 1.09 H new ATOM 0 HG11 VAL A 14 -3.369 -21.606 -4.448 1.00 1.31 H new ATOM 0 HG12 VAL A 14 -2.164 -20.663 -3.538 1.00 1.31 H new ATOM 0 HG13 VAL A 14 -2.829 -20.025 -5.061 1.00 1.31 H new ATOM 0 HG21 VAL A 14 -2.759 -22.658 -6.616 1.00 1.41 H new ATOM 0 HG22 VAL A 14 -2.211 -21.082 -7.237 1.00 1.41 H new ATOM 0 HG23 VAL A 14 -1.113 -22.482 -7.268 1.00 1.41 H new ATOM 190 N VAL A 15 0.742 -20.748 -3.193 1.00 0.67 N ATOM 191 CA VAL A 15 1.111 -20.152 -1.869 1.00 0.74 C ATOM 192 C VAL A 15 2.219 -19.114 -2.066 1.00 0.79 C ATOM 193 O VAL A 15 2.198 -18.047 -1.481 1.00 0.80 O ATOM 194 CB VAL A 15 1.591 -21.328 -1.003 1.00 0.99 C ATOM 195 CG1 VAL A 15 2.259 -20.803 0.272 1.00 1.30 C ATOM 196 CG2 VAL A 15 0.393 -22.202 -0.612 1.00 1.15 C ATOM 0 H VAL A 15 0.994 -21.729 -3.314 1.00 0.67 H new ATOM 0 HA VAL A 15 0.275 -19.639 -1.394 1.00 0.74 H new ATOM 0 HB VAL A 15 2.309 -21.915 -1.575 1.00 0.99 H new ATOM 0 HG11 VAL A 15 2.596 -21.643 0.879 1.00 1.30 H new ATOM 0 HG12 VAL A 15 3.114 -20.182 0.005 1.00 1.30 H new ATOM 0 HG13 VAL A 15 1.543 -20.209 0.840 1.00 1.30 H new ATOM 0 HG21 VAL A 15 0.735 -23.035 0.002 1.00 1.15 H new ATOM 0 HG22 VAL A 15 -0.324 -21.606 -0.047 1.00 1.15 H new ATOM 0 HG23 VAL A 15 -0.085 -22.587 -1.512 1.00 1.15 H new ATOM 206 N THR A 16 3.176 -19.413 -2.900 1.00 0.97 N ATOM 207 CA THR A 16 4.284 -18.440 -3.160 1.00 1.24 C ATOM 208 C THR A 16 3.711 -17.145 -3.735 1.00 1.18 C ATOM 209 O THR A 16 4.042 -16.059 -3.296 1.00 1.25 O ATOM 210 CB THR A 16 5.210 -19.125 -4.175 1.00 1.53 C ATOM 211 OG1 THR A 16 5.809 -20.264 -3.575 1.00 1.64 O ATOM 212 CG2 THR A 16 6.312 -18.160 -4.617 1.00 1.90 C ATOM 0 H THR A 16 3.242 -20.290 -3.416 1.00 0.97 H new ATOM 0 HA THR A 16 4.823 -18.178 -2.250 1.00 1.24 H new ATOM 0 HB THR A 16 4.622 -19.425 -5.042 1.00 1.53 H new ATOM 0 HG1 THR A 16 5.322 -21.070 -3.846 1.00 1.64 H new ATOM 0 HG21 THR A 16 6.963 -18.656 -5.337 1.00 1.90 H new ATOM 0 HG22 THR A 16 5.862 -17.282 -5.080 1.00 1.90 H new ATOM 0 HG23 THR A 16 6.897 -17.854 -3.750 1.00 1.90 H new ATOM 220 N VAL A 17 2.852 -17.252 -4.714 1.00 1.17 N ATOM 221 CA VAL A 17 2.260 -16.025 -5.321 1.00 1.31 C ATOM 222 C VAL A 17 1.335 -15.300 -4.326 1.00 1.09 C ATOM 223 O VAL A 17 1.382 -14.089 -4.235 1.00 1.19 O ATOM 224 CB VAL A 17 1.505 -16.481 -6.581 1.00 1.52 C ATOM 225 CG1 VAL A 17 2.476 -17.163 -7.549 1.00 1.77 C ATOM 226 CG2 VAL A 17 0.387 -17.462 -6.226 1.00 1.36 C ATOM 0 H VAL A 17 2.536 -18.133 -5.118 1.00 1.17 H new ATOM 0 HA VAL A 17 3.034 -15.303 -5.582 1.00 1.31 H new ATOM 0 HB VAL A 17 1.066 -15.600 -7.048 1.00 1.52 H new ATOM 0 HG11 VAL A 17 1.936 -17.484 -8.440 1.00 1.77 H new ATOM 0 HG12 VAL A 17 3.260 -16.461 -7.833 1.00 1.77 H new ATOM 0 HG13 VAL A 17 2.924 -18.030 -7.064 1.00 1.77 H new ATOM 0 HG21 VAL A 17 -0.131 -17.768 -7.135 1.00 1.36 H new ATOM 0 HG22 VAL A 17 0.813 -18.339 -5.738 1.00 1.36 H new ATOM 0 HG23 VAL A 17 -0.320 -16.979 -5.551 1.00 1.36 H new ATOM 236 N ILE A 18 0.511 -15.995 -3.560 1.00 0.88 N ATOM 237 CA ILE A 18 -0.361 -15.258 -2.587 1.00 0.85 C ATOM 238 C ILE A 18 0.495 -14.650 -1.478 1.00 0.69 C ATOM 239 O ILE A 18 0.215 -13.572 -1.002 1.00 0.74 O ATOM 240 CB ILE A 18 -1.388 -16.262 -2.034 1.00 0.94 C ATOM 241 CG1 ILE A 18 -0.698 -17.432 -1.327 1.00 0.82 C ATOM 242 CG2 ILE A 18 -2.255 -16.802 -3.174 1.00 1.18 C ATOM 243 CD1 ILE A 18 -1.535 -17.868 -0.120 1.00 1.28 C ATOM 0 H ILE A 18 0.409 -17.010 -3.568 1.00 0.88 H new ATOM 0 HA ILE A 18 -0.886 -14.434 -3.070 1.00 0.85 H new ATOM 0 HB ILE A 18 -2.010 -15.738 -1.309 1.00 0.94 H new ATOM 0 HG12 ILE A 18 -0.575 -18.266 -2.018 1.00 0.82 H new ATOM 0 HG13 ILE A 18 0.300 -17.137 -1.003 1.00 0.82 H new ATOM 0 HG21 ILE A 18 -2.980 -17.512 -2.775 1.00 1.18 H new ATOM 0 HG22 ILE A 18 -2.782 -15.977 -3.653 1.00 1.18 H new ATOM 0 HG23 ILE A 18 -1.622 -17.303 -3.907 1.00 1.18 H new ATOM 0 HD11 ILE A 18 -1.043 -18.701 0.382 1.00 1.28 H new ATOM 0 HD12 ILE A 18 -1.635 -17.033 0.574 1.00 1.28 H new ATOM 0 HD13 ILE A 18 -2.524 -18.180 -0.457 1.00 1.28 H new ATOM 255 N VAL A 19 1.562 -15.300 -1.097 1.00 0.67 N ATOM 256 CA VAL A 19 2.455 -14.710 -0.052 1.00 0.81 C ATOM 257 C VAL A 19 3.142 -13.475 -0.649 1.00 0.88 C ATOM 258 O VAL A 19 3.200 -12.427 -0.032 1.00 0.89 O ATOM 259 CB VAL A 19 3.474 -15.807 0.295 1.00 1.06 C ATOM 260 CG1 VAL A 19 4.683 -15.191 1.007 1.00 1.38 C ATOM 261 CG2 VAL A 19 2.824 -16.838 1.224 1.00 1.17 C ATOM 0 H VAL A 19 1.854 -16.207 -1.460 1.00 0.67 H new ATOM 0 HA VAL A 19 1.921 -14.395 0.844 1.00 0.81 H new ATOM 0 HB VAL A 19 3.799 -16.290 -0.626 1.00 1.06 H new ATOM 0 HG11 VAL A 19 5.401 -15.975 1.250 1.00 1.38 H new ATOM 0 HG12 VAL A 19 5.155 -14.457 0.354 1.00 1.38 H new ATOM 0 HG13 VAL A 19 4.355 -14.703 1.925 1.00 1.38 H new ATOM 0 HG21 VAL A 19 3.548 -17.615 1.469 1.00 1.17 H new ATOM 0 HG22 VAL A 19 2.496 -16.347 2.140 1.00 1.17 H new ATOM 0 HG23 VAL A 19 1.965 -17.287 0.725 1.00 1.17 H new ATOM 271 N ILE A 20 3.626 -13.585 -1.866 1.00 1.05 N ATOM 272 CA ILE A 20 4.274 -12.410 -2.528 1.00 1.29 C ATOM 273 C ILE A 20 3.229 -11.309 -2.713 1.00 1.21 C ATOM 274 O ILE A 20 3.444 -10.168 -2.350 1.00 1.26 O ATOM 275 CB ILE A 20 4.784 -12.930 -3.882 1.00 1.58 C ATOM 276 CG1 ILE A 20 5.991 -13.843 -3.658 1.00 1.77 C ATOM 277 CG2 ILE A 20 5.209 -11.758 -4.773 1.00 1.91 C ATOM 278 CD1 ILE A 20 6.292 -14.621 -4.941 1.00 2.03 C ATOM 0 H ILE A 20 3.599 -14.437 -2.426 1.00 1.05 H new ATOM 0 HA ILE A 20 5.093 -11.989 -1.945 1.00 1.29 H new ATOM 0 HB ILE A 20 3.981 -13.483 -4.369 1.00 1.58 H new ATOM 0 HG12 ILE A 20 6.859 -13.251 -3.368 1.00 1.77 H new ATOM 0 HG13 ILE A 20 5.790 -14.535 -2.840 1.00 1.77 H new ATOM 0 HG21 ILE A 20 5.568 -12.139 -5.729 1.00 1.91 H new ATOM 0 HG22 ILE A 20 4.356 -11.101 -4.942 1.00 1.91 H new ATOM 0 HG23 ILE A 20 6.006 -11.199 -4.283 1.00 1.91 H new ATOM 0 HD11 ILE A 20 7.152 -15.271 -4.779 1.00 2.03 H new ATOM 0 HD12 ILE A 20 5.426 -15.226 -5.211 1.00 2.03 H new ATOM 0 HD13 ILE A 20 6.512 -13.922 -5.747 1.00 2.03 H new ATOM 290 N LEU A 21 2.090 -11.655 -3.251 1.00 1.17 N ATOM 291 CA LEU A 21 1.011 -10.635 -3.435 1.00 1.28 C ATOM 292 C LEU A 21 0.609 -10.072 -2.058 1.00 1.07 C ATOM 293 O LEU A 21 0.454 -8.873 -1.897 1.00 1.16 O ATOM 294 CB LEU A 21 -0.144 -11.373 -4.153 1.00 1.43 C ATOM 295 CG LEU A 21 -1.353 -11.590 -3.229 1.00 1.38 C ATOM 296 CD1 LEU A 21 -2.145 -10.288 -3.091 1.00 1.62 C ATOM 297 CD2 LEU A 21 -2.259 -12.662 -3.837 1.00 1.55 C ATOM 0 H LEU A 21 1.858 -12.596 -3.571 1.00 1.17 H new ATOM 0 HA LEU A 21 1.320 -9.777 -4.032 1.00 1.28 H new ATOM 0 HB2 LEU A 21 -0.454 -10.798 -5.026 1.00 1.43 H new ATOM 0 HB3 LEU A 21 0.212 -12.337 -4.516 1.00 1.43 H new ATOM 0 HG LEU A 21 -1.003 -11.905 -2.246 1.00 1.38 H new ATOM 0 HD11 LEU A 21 -3.000 -10.450 -2.435 1.00 1.62 H new ATOM 0 HD12 LEU A 21 -1.504 -9.515 -2.667 1.00 1.62 H new ATOM 0 HD13 LEU A 21 -2.496 -9.970 -4.073 1.00 1.62 H new ATOM 0 HD21 LEU A 21 -3.120 -12.822 -3.187 1.00 1.55 H new ATOM 0 HD22 LEU A 21 -2.601 -12.335 -4.819 1.00 1.55 H new ATOM 0 HD23 LEU A 21 -1.703 -13.594 -3.939 1.00 1.55 H new ATOM 309 N ILE A 22 0.477 -10.919 -1.056 1.00 0.86 N ATOM 310 CA ILE A 22 0.123 -10.409 0.310 1.00 0.82 C ATOM 311 C ILE A 22 1.224 -9.458 0.792 1.00 0.76 C ATOM 312 O ILE A 22 0.953 -8.388 1.308 1.00 0.81 O ATOM 313 CB ILE A 22 0.026 -11.657 1.207 1.00 0.85 C ATOM 314 CG1 ILE A 22 -1.356 -12.299 1.040 1.00 1.08 C ATOM 315 CG2 ILE A 22 0.219 -11.270 2.678 1.00 1.04 C ATOM 316 CD1 ILE A 22 -1.337 -13.714 1.626 1.00 1.18 C ATOM 0 H ILE A 22 0.598 -11.929 -1.126 1.00 0.86 H new ATOM 0 HA ILE A 22 -0.814 -9.852 0.324 1.00 0.82 H new ATOM 0 HB ILE A 22 0.805 -12.361 0.914 1.00 0.85 H new ATOM 0 HG12 ILE A 22 -2.112 -11.696 1.543 1.00 1.08 H new ATOM 0 HG13 ILE A 22 -1.627 -12.335 -0.015 1.00 1.08 H new ATOM 0 HG21 ILE A 22 0.148 -12.162 3.301 1.00 1.04 H new ATOM 0 HG22 ILE A 22 1.200 -10.813 2.808 1.00 1.04 H new ATOM 0 HG23 ILE A 22 -0.554 -10.560 2.972 1.00 1.04 H new ATOM 0 HD11 ILE A 22 -2.320 -14.170 1.507 1.00 1.18 H new ATOM 0 HD12 ILE A 22 -0.593 -14.314 1.103 1.00 1.18 H new ATOM 0 HD13 ILE A 22 -1.085 -13.666 2.685 1.00 1.18 H new ATOM 328 N ALA A 23 2.463 -9.831 0.602 1.00 0.81 N ATOM 329 CA ALA A 23 3.589 -8.941 1.027 1.00 0.97 C ATOM 330 C ALA A 23 3.549 -7.638 0.217 1.00 1.04 C ATOM 331 O ALA A 23 3.656 -6.558 0.766 1.00 1.05 O ATOM 332 CB ALA A 23 4.867 -9.734 0.737 1.00 1.23 C ATOM 0 H ALA A 23 2.745 -10.712 0.172 1.00 0.81 H new ATOM 0 HA ALA A 23 3.530 -8.664 2.080 1.00 0.97 H new ATOM 0 HB1 ALA A 23 5.736 -9.142 1.024 1.00 1.23 H new ATOM 0 HB2 ALA A 23 4.856 -10.663 1.307 1.00 1.23 H new ATOM 0 HB3 ALA A 23 4.920 -9.963 -0.327 1.00 1.23 H new ATOM 338 N ILE A 24 3.368 -7.732 -1.081 1.00 1.19 N ATOM 339 CA ILE A 24 3.291 -6.494 -1.921 1.00 1.42 C ATOM 340 C ILE A 24 2.133 -5.620 -1.418 1.00 1.29 C ATOM 341 O ILE A 24 2.289 -4.431 -1.201 1.00 1.34 O ATOM 342 CB ILE A 24 3.025 -6.991 -3.350 1.00 1.67 C ATOM 343 CG1 ILE A 24 4.300 -7.611 -3.929 1.00 1.89 C ATOM 344 CG2 ILE A 24 2.594 -5.822 -4.241 1.00 1.96 C ATOM 345 CD1 ILE A 24 3.944 -8.451 -5.158 1.00 2.07 C ATOM 0 H ILE A 24 3.271 -8.609 -1.592 1.00 1.19 H new ATOM 0 HA ILE A 24 4.199 -5.892 -1.878 1.00 1.42 H new ATOM 0 HB ILE A 24 2.232 -7.738 -3.318 1.00 1.67 H new ATOM 0 HG12 ILE A 24 5.007 -6.828 -4.203 1.00 1.89 H new ATOM 0 HG13 ILE A 24 4.788 -8.233 -3.179 1.00 1.89 H new ATOM 0 HG21 ILE A 24 2.408 -6.184 -5.252 1.00 1.96 H new ATOM 0 HG22 ILE A 24 1.683 -5.377 -3.842 1.00 1.96 H new ATOM 0 HG23 ILE A 24 3.384 -5.072 -4.264 1.00 1.96 H new ATOM 0 HD11 ILE A 24 4.850 -8.893 -5.572 1.00 2.07 H new ATOM 0 HD12 ILE A 24 3.253 -9.243 -4.870 1.00 2.07 H new ATOM 0 HD13 ILE A 24 3.475 -7.816 -5.909 1.00 2.07 H new ATOM 357 N ALA A 25 0.979 -6.211 -1.210 1.00 1.19 N ATOM 358 CA ALA A 25 -0.186 -5.427 -0.698 1.00 1.23 C ATOM 359 C ALA A 25 0.137 -4.855 0.685 1.00 1.03 C ATOM 360 O ALA A 25 -0.106 -3.694 0.957 1.00 1.11 O ATOM 361 CB ALA A 25 -1.349 -6.423 -0.623 1.00 1.32 C ATOM 0 H ALA A 25 0.796 -7.201 -1.373 1.00 1.19 H new ATOM 0 HA ALA A 25 -0.431 -4.582 -1.342 1.00 1.23 H new ATOM 0 HB1 ALA A 25 -2.240 -5.915 -0.254 1.00 1.32 H new ATOM 0 HB2 ALA A 25 -1.547 -6.827 -1.616 1.00 1.32 H new ATOM 0 HB3 ALA A 25 -1.088 -7.236 0.054 1.00 1.32 H new ATOM 367 N ALA A 26 0.708 -5.655 1.546 1.00 0.87 N ATOM 368 CA ALA A 26 1.075 -5.151 2.906 1.00 0.85 C ATOM 369 C ALA A 26 2.074 -3.997 2.762 1.00 0.83 C ATOM 370 O ALA A 26 1.923 -2.958 3.377 1.00 0.86 O ATOM 371 CB ALA A 26 1.707 -6.346 3.629 1.00 0.92 C ATOM 0 H ALA A 26 0.936 -6.633 1.369 1.00 0.87 H new ATOM 0 HA ALA A 26 0.218 -4.770 3.462 1.00 0.85 H new ATOM 0 HB1 ALA A 26 2.001 -6.048 4.635 1.00 0.92 H new ATOM 0 HB2 ALA A 26 0.984 -7.160 3.688 1.00 0.92 H new ATOM 0 HB3 ALA A 26 2.586 -6.681 3.078 1.00 0.92 H new ATOM 377 N LEU A 27 3.073 -4.160 1.926 1.00 0.91 N ATOM 378 CA LEU A 27 4.060 -3.061 1.709 1.00 1.08 C ATOM 379 C LEU A 27 3.327 -1.836 1.143 1.00 1.11 C ATOM 380 O LEU A 27 3.508 -0.723 1.606 1.00 1.11 O ATOM 381 CB LEU A 27 5.067 -3.627 0.697 1.00 1.34 C ATOM 382 CG LEU A 27 5.912 -2.491 0.112 1.00 1.63 C ATOM 383 CD1 LEU A 27 7.390 -2.879 0.147 1.00 1.92 C ATOM 384 CD2 LEU A 27 5.491 -2.234 -1.337 1.00 1.83 C ATOM 0 H LEU A 27 3.245 -5.008 1.386 1.00 0.91 H new ATOM 0 HA LEU A 27 4.560 -2.743 2.624 1.00 1.08 H new ATOM 0 HB2 LEU A 27 5.712 -4.359 1.183 1.00 1.34 H new ATOM 0 HB3 LEU A 27 4.539 -4.148 -0.102 1.00 1.34 H new ATOM 0 HG LEU A 27 5.759 -1.588 0.703 1.00 1.63 H new ATOM 0 HD11 LEU A 27 7.989 -2.069 -0.270 1.00 1.92 H new ATOM 0 HD12 LEU A 27 7.694 -3.062 1.178 1.00 1.92 H new ATOM 0 HD13 LEU A 27 7.543 -3.783 -0.442 1.00 1.92 H new ATOM 0 HD21 LEU A 27 6.093 -1.426 -1.753 1.00 1.83 H new ATOM 0 HD22 LEU A 27 5.642 -3.139 -1.926 1.00 1.83 H new ATOM 0 HD23 LEU A 27 4.438 -1.954 -1.366 1.00 1.83 H new ATOM 396 N GLY A 28 2.475 -2.042 0.161 1.00 1.21 N ATOM 397 CA GLY A 28 1.703 -0.899 -0.416 1.00 1.40 C ATOM 398 C GLY A 28 0.894 -0.241 0.704 1.00 1.25 C ATOM 399 O GLY A 28 0.879 0.969 0.843 1.00 1.29 O ATOM 0 H GLY A 28 2.284 -2.951 -0.262 1.00 1.21 H new ATOM 0 HA2 GLY A 28 2.381 -0.175 -0.869 1.00 1.40 H new ATOM 0 HA3 GLY A 28 1.039 -1.251 -1.205 1.00 1.40 H new ATOM 403 N ALA A 29 0.241 -1.037 1.521 1.00 1.13 N ATOM 404 CA ALA A 29 -0.549 -0.469 2.653 1.00 1.15 C ATOM 405 C ALA A 29 0.382 0.255 3.625 1.00 0.99 C ATOM 406 O ALA A 29 0.107 1.355 4.057 1.00 1.06 O ATOM 407 CB ALA A 29 -1.217 -1.674 3.323 1.00 1.22 C ATOM 0 H ALA A 29 0.224 -2.054 1.449 1.00 1.13 H new ATOM 0 HA ALA A 29 -1.288 0.260 2.322 1.00 1.15 H new ATOM 0 HB1 ALA A 29 -1.817 -1.335 4.167 1.00 1.22 H new ATOM 0 HB2 ALA A 29 -1.859 -2.182 2.603 1.00 1.22 H new ATOM 0 HB3 ALA A 29 -0.451 -2.365 3.677 1.00 1.22 H new ATOM 413 N LEU A 30 1.490 -0.350 3.951 1.00 0.88 N ATOM 414 CA LEU A 30 2.464 0.305 4.877 1.00 0.90 C ATOM 415 C LEU A 30 2.916 1.647 4.281 1.00 0.87 C ATOM 416 O LEU A 30 3.016 2.642 4.974 1.00 0.88 O ATOM 417 CB LEU A 30 3.639 -0.676 4.981 1.00 1.01 C ATOM 418 CG LEU A 30 3.399 -1.644 6.143 1.00 1.22 C ATOM 419 CD1 LEU A 30 4.217 -2.918 5.925 1.00 1.35 C ATOM 420 CD2 LEU A 30 3.834 -0.978 7.452 1.00 1.56 C ATOM 0 H LEU A 30 1.766 -1.273 3.616 1.00 0.88 H new ATOM 0 HA LEU A 30 2.038 0.518 5.857 1.00 0.90 H new ATOM 0 HB2 LEU A 30 3.746 -1.231 4.049 1.00 1.01 H new ATOM 0 HB3 LEU A 30 4.569 -0.130 5.136 1.00 1.01 H new ATOM 0 HG LEU A 30 2.340 -1.898 6.194 1.00 1.22 H new ATOM 0 HD11 LEU A 30 4.046 -3.606 6.753 1.00 1.35 H new ATOM 0 HD12 LEU A 30 3.913 -3.390 4.991 1.00 1.35 H new ATOM 0 HD13 LEU A 30 5.276 -2.666 5.876 1.00 1.35 H new ATOM 0 HD21 LEU A 30 3.665 -1.663 8.283 1.00 1.56 H new ATOM 0 HD22 LEU A 30 4.893 -0.727 7.398 1.00 1.56 H new ATOM 0 HD23 LEU A 30 3.253 -0.069 7.608 1.00 1.56 H new ATOM 432 N ILE A 31 3.160 1.687 2.994 1.00 0.95 N ATOM 433 CA ILE A 31 3.576 2.972 2.347 1.00 1.08 C ATOM 434 C ILE A 31 2.397 3.956 2.368 1.00 1.05 C ATOM 435 O ILE A 31 2.541 5.105 2.743 1.00 1.05 O ATOM 436 CB ILE A 31 3.969 2.583 0.913 1.00 1.34 C ATOM 437 CG1 ILE A 31 5.330 1.881 0.939 1.00 1.51 C ATOM 438 CG2 ILE A 31 4.066 3.831 0.026 1.00 1.65 C ATOM 439 CD1 ILE A 31 5.584 1.202 -0.407 1.00 1.74 C ATOM 0 H ILE A 31 3.090 0.888 2.364 1.00 0.95 H new ATOM 0 HA ILE A 31 4.403 3.465 2.858 1.00 1.08 H new ATOM 0 HB ILE A 31 3.207 1.918 0.506 1.00 1.34 H new ATOM 0 HG12 ILE A 31 6.119 2.604 1.148 1.00 1.51 H new ATOM 0 HG13 ILE A 31 5.354 1.142 1.740 1.00 1.51 H new ATOM 0 HG21 ILE A 31 4.345 3.537 -0.986 1.00 1.65 H new ATOM 0 HG22 ILE A 31 3.101 4.337 0.004 1.00 1.65 H new ATOM 0 HG23 ILE A 31 4.821 4.506 0.429 1.00 1.65 H new ATOM 0 HD11 ILE A 31 6.553 0.703 -0.386 1.00 1.74 H new ATOM 0 HD12 ILE A 31 4.802 0.467 -0.597 1.00 1.74 H new ATOM 0 HD13 ILE A 31 5.579 1.951 -1.199 1.00 1.74 H new ATOM 451 N LEU A 32 1.227 3.504 1.989 1.00 1.12 N ATOM 452 CA LEU A 32 0.023 4.397 2.002 1.00 1.27 C ATOM 453 C LEU A 32 -0.289 4.858 3.439 1.00 1.20 C ATOM 454 O LEU A 32 -0.657 5.990 3.668 1.00 1.29 O ATOM 455 CB LEU A 32 -1.118 3.528 1.452 1.00 1.47 C ATOM 456 CG LEU A 32 -2.089 4.394 0.642 1.00 1.82 C ATOM 457 CD1 LEU A 32 -1.972 4.047 -0.843 1.00 2.18 C ATOM 458 CD2 LEU A 32 -3.522 4.128 1.114 1.00 2.14 C ATOM 0 H LEU A 32 1.052 2.551 1.670 1.00 1.12 H new ATOM 0 HA LEU A 32 0.172 5.300 1.410 1.00 1.27 H new ATOM 0 HB2 LEU A 32 -0.713 2.735 0.823 1.00 1.47 H new ATOM 0 HB3 LEU A 32 -1.647 3.044 2.273 1.00 1.47 H new ATOM 0 HG LEU A 32 -1.844 5.446 0.788 1.00 1.82 H new ATOM 0 HD11 LEU A 32 -2.664 4.664 -1.416 1.00 2.18 H new ATOM 0 HD12 LEU A 32 -0.953 4.234 -1.181 1.00 2.18 H new ATOM 0 HD13 LEU A 32 -2.216 2.995 -0.991 1.00 2.18 H new ATOM 0 HD21 LEU A 32 -4.214 4.743 0.539 1.00 2.14 H new ATOM 0 HD22 LEU A 32 -3.764 3.075 0.967 1.00 2.14 H new ATOM 0 HD23 LEU A 32 -3.609 4.376 2.172 1.00 2.14 H new ATOM 470 N GLY A 33 -0.147 3.988 4.406 1.00 1.12 N ATOM 471 CA GLY A 33 -0.442 4.373 5.823 1.00 1.23 C ATOM 472 C GLY A 33 0.680 5.246 6.405 1.00 1.13 C ATOM 473 O GLY A 33 0.423 6.158 7.165 1.00 1.26 O ATOM 0 H GLY A 33 0.161 3.024 4.277 1.00 1.12 H new ATOM 0 HA2 GLY A 33 -1.387 4.914 5.867 1.00 1.23 H new ATOM 0 HA3 GLY A 33 -0.560 3.475 6.430 1.00 1.23 H new ATOM 477 N CYS A 34 1.919 4.970 6.078 1.00 1.00 N ATOM 478 CA CYS A 34 3.040 5.788 6.645 1.00 1.02 C ATOM 479 C CYS A 34 3.281 7.075 5.830 1.00 0.94 C ATOM 480 O CYS A 34 3.680 8.082 6.380 1.00 0.99 O ATOM 481 CB CYS A 34 4.271 4.877 6.597 1.00 1.09 C ATOM 482 SG CYS A 34 5.133 4.949 8.187 1.00 1.56 S ATOM 0 H CYS A 34 2.203 4.220 5.448 1.00 1.00 H new ATOM 0 HA CYS A 34 2.811 6.118 7.658 1.00 1.02 H new ATOM 0 HB2 CYS A 34 3.971 3.852 6.380 1.00 1.09 H new ATOM 0 HB3 CYS A 34 4.938 5.191 5.794 1.00 1.09 H new ATOM 0 HG CYS A 34 6.177 4.175 8.150 1.00 1.56 H new ATOM 488 N TRP A 35 3.063 7.053 4.533 1.00 0.93 N ATOM 489 CA TRP A 35 3.306 8.290 3.713 1.00 0.98 C ATOM 490 C TRP A 35 2.066 8.702 2.887 1.00 1.15 C ATOM 491 O TRP A 35 2.109 9.679 2.166 1.00 1.28 O ATOM 492 CB TRP A 35 4.474 7.925 2.791 1.00 1.24 C ATOM 493 CG TRP A 35 5.758 7.983 3.562 1.00 1.30 C ATOM 494 CD1 TRP A 35 6.390 9.120 3.937 1.00 1.40 C ATOM 495 CD2 TRP A 35 6.570 6.882 4.058 1.00 1.45 C ATOM 496 NE1 TRP A 35 7.539 8.783 4.630 1.00 1.66 N ATOM 497 CE2 TRP A 35 7.693 7.416 4.733 1.00 1.66 C ATOM 498 CE3 TRP A 35 6.440 5.483 3.989 1.00 1.51 C ATOM 499 CZ2 TRP A 35 8.656 6.591 5.316 1.00 1.90 C ATOM 500 CZ3 TRP A 35 7.407 4.650 4.574 1.00 1.70 C ATOM 501 CH2 TRP A 35 8.511 5.203 5.238 1.00 1.88 C ATOM 0 H TRP A 35 2.731 6.242 4.011 1.00 0.93 H new ATOM 0 HA TRP A 35 3.523 9.147 4.351 1.00 0.98 H new ATOM 0 HB2 TRP A 35 4.329 6.926 2.381 1.00 1.24 H new ATOM 0 HB3 TRP A 35 4.513 8.613 1.947 1.00 1.24 H new ATOM 0 HD1 TRP A 35 6.053 10.125 3.729 1.00 1.40 H new ATOM 0 HE1 TRP A 35 8.193 9.463 5.018 1.00 1.66 H new ATOM 0 HE3 TRP A 35 5.591 5.047 3.483 1.00 1.51 H new ATOM 0 HZ2 TRP A 35 9.507 7.022 5.823 1.00 1.90 H new ATOM 0 HZ3 TRP A 35 7.300 3.577 4.512 1.00 1.70 H new ATOM 0 HH2 TRP A 35 9.249 4.557 5.689 1.00 1.88 H new ATOM 512 N CYS A 36 0.968 7.982 2.991 1.00 1.31 N ATOM 513 CA CYS A 36 -0.283 8.336 2.222 1.00 1.67 C ATOM 514 C CYS A 36 -0.081 8.209 0.697 1.00 1.96 C ATOM 515 O CYS A 36 -0.645 7.335 0.063 1.00 2.31 O ATOM 516 CB CYS A 36 -0.614 9.785 2.614 1.00 1.62 C ATOM 517 SG CYS A 36 -2.178 9.825 3.529 1.00 2.23 S ATOM 0 H CYS A 36 0.882 7.155 3.581 1.00 1.31 H new ATOM 0 HA CYS A 36 -1.096 7.652 2.467 1.00 1.67 H new ATOM 0 HB2 CYS A 36 0.188 10.199 3.226 1.00 1.62 H new ATOM 0 HB3 CYS A 36 -0.687 10.406 1.721 1.00 1.62 H new ATOM 0 HG CYS A 36 -2.162 10.814 4.372 1.00 2.23 H new ATOM 523 N TYR A 37 0.704 9.079 0.109 1.00 1.94 N ATOM 524 CA TYR A 37 0.937 9.031 -1.373 1.00 2.35 C ATOM 525 C TYR A 37 2.444 9.104 -1.670 1.00 2.35 C ATOM 526 O TYR A 37 3.023 10.176 -1.712 1.00 2.22 O ATOM 527 CB TYR A 37 0.231 10.282 -1.908 1.00 2.47 C ATOM 528 CG TYR A 37 -0.567 9.982 -3.165 1.00 3.09 C ATOM 529 CD1 TYR A 37 -0.301 8.839 -3.934 1.00 2.89 C ATOM 530 CD2 TYR A 37 -1.579 10.868 -3.558 1.00 4.17 C ATOM 531 CE1 TYR A 37 -1.046 8.588 -5.094 1.00 3.54 C ATOM 532 CE2 TYR A 37 -2.319 10.613 -4.719 1.00 4.80 C ATOM 533 CZ TYR A 37 -2.053 9.475 -5.483 1.00 4.40 C ATOM 534 OH TYR A 37 -2.783 9.228 -6.625 1.00 5.08 O ATOM 0 H TYR A 37 1.198 9.827 0.595 1.00 1.94 H new ATOM 0 HA TYR A 37 0.564 8.114 -1.829 1.00 2.35 H new ATOM 0 HB2 TYR A 37 -0.434 10.681 -1.142 1.00 2.47 H new ATOM 0 HB3 TYR A 37 0.970 11.054 -2.122 1.00 2.47 H new ATOM 0 HD1 TYR A 37 0.477 8.153 -3.632 1.00 2.89 H new ATOM 0 HD2 TYR A 37 -1.788 11.747 -2.966 1.00 4.17 H new ATOM 0 HE1 TYR A 37 -0.842 7.709 -5.687 1.00 3.54 H new ATOM 0 HE2 TYR A 37 -3.097 11.298 -5.024 1.00 4.80 H new ATOM 0 HH TYR A 37 -3.444 9.941 -6.752 1.00 5.08 H new ATOM 544 N LEU A 38 3.079 7.971 -1.870 1.00 2.62 N ATOM 545 CA LEU A 38 4.555 7.933 -2.159 1.00 2.81 C ATOM 546 C LEU A 38 5.367 8.486 -0.973 1.00 2.45 C ATOM 547 O LEU A 38 6.098 7.761 -0.319 1.00 2.46 O ATOM 548 CB LEU A 38 4.756 8.788 -3.422 1.00 3.12 C ATOM 549 CG LEU A 38 6.201 8.657 -3.913 1.00 3.52 C ATOM 550 CD1 LEU A 38 6.468 7.217 -4.363 1.00 3.93 C ATOM 551 CD2 LEU A 38 6.416 9.602 -5.094 1.00 3.82 C ATOM 0 H LEU A 38 2.631 7.055 -1.845 1.00 2.62 H new ATOM 0 HA LEU A 38 4.906 6.912 -2.312 1.00 2.81 H new ATOM 0 HB2 LEU A 38 4.066 8.467 -4.203 1.00 3.12 H new ATOM 0 HB3 LEU A 38 4.529 9.832 -3.205 1.00 3.12 H new ATOM 0 HG LEU A 38 6.883 8.913 -3.103 1.00 3.52 H new ATOM 0 HD11 LEU A 38 7.497 7.130 -4.711 1.00 3.93 H new ATOM 0 HD12 LEU A 38 6.310 6.539 -3.525 1.00 3.93 H new ATOM 0 HD13 LEU A 38 5.787 6.957 -5.174 1.00 3.93 H new ATOM 0 HD21 LEU A 38 7.443 9.514 -5.448 1.00 3.82 H new ATOM 0 HD22 LEU A 38 5.730 9.339 -5.900 1.00 3.82 H new ATOM 0 HD23 LEU A 38 6.228 10.628 -4.778 1.00 3.82 H new ATOM 563 N ARG A 39 5.240 9.754 -0.701 1.00 2.21 N ATOM 564 CA ARG A 39 5.989 10.382 0.435 1.00 2.01 C ATOM 565 C ARG A 39 5.097 11.397 1.173 1.00 1.56 C ATOM 566 O ARG A 39 5.010 11.380 2.384 1.00 1.25 O ATOM 567 CB ARG A 39 7.188 11.088 -0.218 1.00 2.45 C ATOM 568 CG ARG A 39 8.257 10.057 -0.608 1.00 2.87 C ATOM 569 CD ARG A 39 9.028 9.609 0.638 1.00 2.81 C ATOM 570 NE ARG A 39 9.342 8.170 0.392 1.00 2.96 N ATOM 571 CZ ARG A 39 8.964 7.262 1.236 1.00 2.74 C ATOM 572 NH1 ARG A 39 7.782 6.748 1.144 1.00 2.49 N ATOM 573 NH2 ARG A 39 9.768 6.887 2.179 1.00 2.87 N ATOM 0 H ARG A 39 4.642 10.395 -1.222 1.00 2.21 H new ATOM 0 HA ARG A 39 6.304 9.646 1.175 1.00 2.01 H new ATOM 0 HB2 ARG A 39 6.861 11.636 -1.101 1.00 2.45 H new ATOM 0 HB3 ARG A 39 7.610 11.818 0.472 1.00 2.45 H new ATOM 0 HG2 ARG A 39 7.788 9.196 -1.085 1.00 2.87 H new ATOM 0 HG3 ARG A 39 8.944 10.490 -1.335 1.00 2.87 H new ATOM 0 HD2 ARG A 39 9.937 10.195 0.773 1.00 2.81 H new ATOM 0 HD3 ARG A 39 8.430 9.735 1.540 1.00 2.81 H new ATOM 0 HE ARG A 39 9.857 7.900 -0.446 1.00 2.96 H new ATOM 0 HH11 ARG A 39 7.147 7.057 0.408 1.00 2.49 H new ATOM 0 HH12 ARG A 39 7.484 6.033 1.808 1.00 2.49 H new ATOM 0 HH21 ARG A 39 10.695 7.306 2.256 1.00 2.87 H new ATOM 0 HH22 ARG A 39 9.475 6.173 2.845 1.00 2.87 H new ATOM 587 N LEU A 40 4.442 12.278 0.443 1.00 1.65 N ATOM 588 CA LEU A 40 3.547 13.309 1.073 1.00 1.27 C ATOM 589 C LEU A 40 4.236 13.989 2.276 1.00 1.39 C ATOM 590 O LEU A 40 3.693 14.065 3.365 1.00 1.35 O ATOM 591 CB LEU A 40 2.285 12.534 1.487 1.00 0.99 C ATOM 592 CG LEU A 40 1.045 13.195 0.871 1.00 1.35 C ATOM 593 CD1 LEU A 40 0.934 14.633 1.371 1.00 1.23 C ATOM 594 CD2 LEU A 40 1.163 13.195 -0.656 1.00 1.91 C ATOM 0 H LEU A 40 4.491 12.326 -0.575 1.00 1.65 H new ATOM 0 HA LEU A 40 3.307 14.123 0.389 1.00 1.27 H new ATOM 0 HB2 LEU A 40 2.358 11.498 1.156 1.00 0.99 H new ATOM 0 HB3 LEU A 40 2.198 12.517 2.573 1.00 0.99 H new ATOM 0 HG LEU A 40 0.156 12.636 1.164 1.00 1.35 H new ATOM 0 HD11 LEU A 40 0.053 15.103 0.934 1.00 1.23 H new ATOM 0 HD12 LEU A 40 0.845 14.635 2.457 1.00 1.23 H new ATOM 0 HD13 LEU A 40 1.825 15.189 1.079 1.00 1.23 H new ATOM 0 HD21 LEU A 40 0.280 13.665 -1.089 1.00 1.91 H new ATOM 0 HD22 LEU A 40 2.053 13.751 -0.952 1.00 1.91 H new ATOM 0 HD23 LEU A 40 1.240 12.169 -1.015 1.00 1.91 H new ATOM 606 N GLN A 41 5.433 14.488 2.066 1.00 1.98 N ATOM 607 CA GLN A 41 6.193 15.174 3.166 1.00 2.48 C ATOM 608 C GLN A 41 6.011 16.709 3.111 1.00 2.72 C ATOM 609 O GLN A 41 6.791 17.449 3.681 1.00 3.32 O ATOM 610 CB GLN A 41 7.667 14.776 2.942 1.00 3.07 C ATOM 611 CG GLN A 41 8.216 15.410 1.650 1.00 3.50 C ATOM 612 CD GLN A 41 8.194 14.382 0.516 1.00 3.56 C ATOM 613 OE1 GLN A 41 7.141 14.021 0.032 1.00 3.29 O ATOM 614 NE2 GLN A 41 9.315 13.893 0.064 1.00 4.10 N ATOM 0 H GLN A 41 5.921 14.449 1.171 1.00 1.98 H new ATOM 0 HA GLN A 41 5.835 14.874 4.151 1.00 2.48 H new ATOM 0 HB2 GLN A 41 8.268 15.096 3.793 1.00 3.07 H new ATOM 0 HB3 GLN A 41 7.750 13.691 2.883 1.00 3.07 H new ATOM 0 HG2 GLN A 41 7.616 16.278 1.377 1.00 3.50 H new ATOM 0 HG3 GLN A 41 9.234 15.764 1.812 1.00 3.50 H new ATOM 0 HE21 GLN A 41 10.202 14.194 0.468 1.00 4.10 H new ATOM 0 HE22 GLN A 41 9.305 13.210 -0.693 1.00 4.10 H new ATOM 623 N ARG A 42 4.986 17.195 2.450 1.00 2.31 N ATOM 624 CA ARG A 42 4.756 18.661 2.387 1.00 2.55 C ATOM 625 C ARG A 42 3.664 19.030 3.399 1.00 2.23 C ATOM 626 O ARG A 42 3.532 18.392 4.425 1.00 2.21 O ATOM 627 CB ARG A 42 4.301 18.899 0.936 1.00 2.54 C ATOM 628 CG ARG A 42 2.874 18.354 0.723 1.00 1.96 C ATOM 629 CD ARG A 42 2.787 17.592 -0.606 1.00 2.26 C ATOM 630 NE ARG A 42 1.322 17.527 -0.912 1.00 2.03 N ATOM 631 CZ ARG A 42 0.897 17.693 -2.125 1.00 2.23 C ATOM 632 NH1 ARG A 42 0.819 16.678 -2.928 1.00 2.92 N ATOM 633 NH2 ARG A 42 0.538 18.872 -2.522 1.00 2.25 N ATOM 0 H ARG A 42 4.299 16.630 1.951 1.00 2.31 H new ATOM 0 HA ARG A 42 5.628 19.266 2.633 1.00 2.55 H new ATOM 0 HB2 ARG A 42 4.327 19.965 0.710 1.00 2.54 H new ATOM 0 HB3 ARG A 42 4.990 18.410 0.247 1.00 2.54 H new ATOM 0 HG2 ARG A 42 2.603 17.694 1.547 1.00 1.96 H new ATOM 0 HG3 ARG A 42 2.159 19.177 0.726 1.00 1.96 H new ATOM 0 HD2 ARG A 42 3.334 18.108 -1.395 1.00 2.26 H new ATOM 0 HD3 ARG A 42 3.218 16.595 -0.520 1.00 2.26 H new ATOM 0 HE ARG A 42 0.655 17.351 -0.161 1.00 2.03 H new ATOM 0 HH11 ARG A 42 1.092 15.750 -2.605 1.00 2.92 H new ATOM 0 HH12 ARG A 42 0.485 16.808 -3.883 1.00 2.92 H new ATOM 0 HH21 ARG A 42 0.591 19.664 -1.881 1.00 2.25 H new ATOM 0 HH22 ARG A 42 0.203 19.009 -3.476 1.00 2.25 H new ATOM 647 N ILE A 43 2.868 20.026 3.110 1.00 2.15 N ATOM 648 CA ILE A 43 1.760 20.405 4.041 1.00 1.96 C ATOM 649 C ILE A 43 0.959 19.160 4.445 1.00 1.58 C ATOM 650 O ILE A 43 0.470 19.056 5.550 1.00 1.86 O ATOM 651 CB ILE A 43 0.876 21.361 3.237 1.00 1.79 C ATOM 652 CG1 ILE A 43 0.536 20.768 1.860 1.00 1.55 C ATOM 653 CG2 ILE A 43 1.611 22.683 3.042 1.00 2.36 C ATOM 654 CD1 ILE A 43 -0.614 21.560 1.229 1.00 1.54 C ATOM 0 H ILE A 43 2.937 20.596 2.267 1.00 2.15 H new ATOM 0 HA ILE A 43 2.132 20.861 4.958 1.00 1.96 H new ATOM 0 HB ILE A 43 -0.051 21.520 3.788 1.00 1.79 H new ATOM 0 HG12 ILE A 43 1.412 20.801 1.212 1.00 1.55 H new ATOM 0 HG13 ILE A 43 0.255 19.720 1.963 1.00 1.55 H new ATOM 0 HG21 ILE A 43 0.984 23.367 2.470 1.00 2.36 H new ATOM 0 HG22 ILE A 43 1.833 23.123 4.014 1.00 2.36 H new ATOM 0 HG23 ILE A 43 2.541 22.506 2.503 1.00 2.36 H new ATOM 0 HD11 ILE A 43 -0.854 21.138 0.253 1.00 1.54 H new ATOM 0 HD12 ILE A 43 -1.491 21.504 1.874 1.00 1.54 H new ATOM 0 HD13 ILE A 43 -0.316 22.602 1.111 1.00 1.54 H new ATOM 666 N SER A 44 0.845 18.224 3.532 1.00 1.16 N ATOM 667 CA SER A 44 0.093 16.946 3.785 1.00 1.02 C ATOM 668 C SER A 44 -1.415 17.204 3.846 1.00 1.14 C ATOM 669 O SER A 44 -1.900 17.923 4.697 1.00 1.50 O ATOM 670 CB SER A 44 0.607 16.409 5.124 1.00 1.45 C ATOM 671 OG SER A 44 0.614 14.986 5.084 1.00 1.64 O ATOM 0 H SER A 44 1.251 18.292 2.599 1.00 1.16 H new ATOM 0 HA SER A 44 0.254 16.227 2.982 1.00 1.02 H new ATOM 0 HB2 SER A 44 1.612 16.785 5.319 1.00 1.45 H new ATOM 0 HB3 SER A 44 -0.028 16.759 5.938 1.00 1.45 H new ATOM 0 HG SER A 44 0.944 14.636 5.938 1.00 1.64 H new ATOM 677 N GLN A 45 -2.164 16.623 2.946 1.00 1.02 N ATOM 678 CA GLN A 45 -3.644 16.841 2.954 1.00 1.31 C ATOM 679 C GLN A 45 -4.384 15.582 3.448 1.00 1.33 C ATOM 680 O GLN A 45 -5.593 15.584 3.555 1.00 1.41 O ATOM 681 CB GLN A 45 -4.019 17.157 1.499 1.00 1.42 C ATOM 682 CG GLN A 45 -3.085 18.244 0.941 1.00 1.47 C ATOM 683 CD GLN A 45 -2.013 17.596 0.064 1.00 1.33 C ATOM 684 OE1 GLN A 45 -0.849 17.562 0.422 1.00 1.20 O ATOM 685 NE2 GLN A 45 -2.353 17.074 -1.077 1.00 1.74 N ATOM 0 H GLN A 45 -1.819 16.009 2.208 1.00 1.02 H new ATOM 0 HA GLN A 45 -3.927 17.649 3.629 1.00 1.31 H new ATOM 0 HB2 GLN A 45 -3.945 16.255 0.891 1.00 1.42 H new ATOM 0 HB3 GLN A 45 -5.055 17.493 1.446 1.00 1.42 H new ATOM 0 HG2 GLN A 45 -3.658 18.967 0.359 1.00 1.47 H new ATOM 0 HG3 GLN A 45 -2.618 18.792 1.759 1.00 1.47 H new ATOM 0 HE21 GLN A 45 -3.327 17.101 -1.380 1.00 1.74 H new ATOM 0 HE22 GLN A 45 -1.646 16.638 -1.669 1.00 1.74 H new ATOM 694 N SER A 46 -3.673 14.514 3.755 1.00 1.38 N ATOM 695 CA SER A 46 -4.345 13.257 4.242 1.00 1.48 C ATOM 696 C SER A 46 -5.333 12.734 3.185 1.00 1.45 C ATOM 697 O SER A 46 -6.413 12.277 3.507 1.00 1.58 O ATOM 698 CB SER A 46 -5.089 13.661 5.525 1.00 1.65 C ATOM 699 OG SER A 46 -4.770 12.748 6.571 1.00 1.97 O ATOM 0 H SER A 46 -2.657 14.459 3.689 1.00 1.38 H new ATOM 0 HA SER A 46 -3.627 12.458 4.427 1.00 1.48 H new ATOM 0 HB2 SER A 46 -4.810 14.674 5.815 1.00 1.65 H new ATOM 0 HB3 SER A 46 -6.164 13.665 5.348 1.00 1.65 H new ATOM 0 HG SER A 46 -5.412 12.853 7.304 1.00 1.97 H new ATOM 705 N GLU A 47 -4.976 12.811 1.924 1.00 1.37 N ATOM 706 CA GLU A 47 -5.898 12.335 0.850 1.00 1.36 C ATOM 707 C GLU A 47 -5.786 10.815 0.644 1.00 1.35 C ATOM 708 O GLU A 47 -4.734 10.220 0.799 1.00 1.39 O ATOM 709 CB GLU A 47 -5.494 13.101 -0.423 1.00 1.45 C ATOM 710 CG GLU A 47 -4.088 12.679 -0.897 1.00 1.53 C ATOM 711 CD GLU A 47 -3.045 13.730 -0.493 1.00 1.54 C ATOM 712 OE1 GLU A 47 -2.970 14.051 0.686 1.00 1.62 O ATOM 713 OE2 GLU A 47 -2.331 14.190 -1.368 1.00 1.66 O ATOM 0 H GLU A 47 -4.085 13.183 1.595 1.00 1.37 H new ATOM 0 HA GLU A 47 -6.939 12.523 1.114 1.00 1.36 H new ATOM 0 HB2 GLU A 47 -6.221 12.911 -1.213 1.00 1.45 H new ATOM 0 HB3 GLU A 47 -5.510 14.173 -0.227 1.00 1.45 H new ATOM 0 HG2 GLU A 47 -3.827 11.714 -0.464 1.00 1.53 H new ATOM 0 HG3 GLU A 47 -4.086 12.553 -1.980 1.00 1.53 H new ATOM 720 N ASP A 48 -6.885 10.197 0.295 1.00 1.34 N ATOM 721 CA ASP A 48 -6.904 8.714 0.066 1.00 1.37 C ATOM 722 C ASP A 48 -8.137 8.324 -0.774 1.00 1.40 C ATOM 723 O ASP A 48 -8.015 7.734 -1.831 1.00 1.52 O ATOM 724 CB ASP A 48 -6.957 8.064 1.469 1.00 1.30 C ATOM 725 CG ASP A 48 -7.740 8.929 2.472 1.00 1.22 C ATOM 726 OD1 ASP A 48 -8.785 9.447 2.110 1.00 1.20 O ATOM 727 OD2 ASP A 48 -7.286 9.044 3.600 1.00 1.23 O ATOM 0 H ASP A 48 -7.783 10.660 0.156 1.00 1.34 H new ATOM 0 HA ASP A 48 -6.026 8.377 -0.485 1.00 1.37 H new ATOM 0 HB2 ASP A 48 -7.422 7.081 1.396 1.00 1.30 H new ATOM 0 HB3 ASP A 48 -5.942 7.910 1.837 1.00 1.30 H new ATOM 732 N GLU A 49 -9.316 8.658 -0.310 1.00 1.34 N ATOM 733 CA GLU A 49 -10.563 8.327 -1.066 1.00 1.39 C ATOM 734 C GLU A 49 -10.648 9.170 -2.348 1.00 1.49 C ATOM 735 O GLU A 49 -10.573 10.386 -2.304 1.00 1.54 O ATOM 736 CB GLU A 49 -11.706 8.674 -0.104 1.00 1.32 C ATOM 737 CG GLU A 49 -12.761 7.558 -0.115 1.00 1.38 C ATOM 738 CD GLU A 49 -13.368 7.394 1.283 1.00 1.31 C ATOM 739 OE1 GLU A 49 -13.728 8.399 1.884 1.00 1.59 O ATOM 740 OE2 GLU A 49 -13.460 6.269 1.736 1.00 1.91 O ATOM 0 H GLU A 49 -9.469 9.151 0.570 1.00 1.34 H new ATOM 0 HA GLU A 49 -10.598 7.283 -1.379 1.00 1.39 H new ATOM 0 HB2 GLU A 49 -11.315 8.806 0.905 1.00 1.32 H new ATOM 0 HB3 GLU A 49 -12.163 9.620 -0.395 1.00 1.32 H new ATOM 0 HG2 GLU A 49 -13.545 7.795 -0.835 1.00 1.38 H new ATOM 0 HG3 GLU A 49 -12.307 6.620 -0.435 1.00 1.38 H new ATOM 747 N GLU A 50 -10.791 8.522 -3.487 1.00 1.60 N ATOM 748 CA GLU A 50 -10.868 9.240 -4.800 1.00 1.75 C ATOM 749 C GLU A 50 -9.497 9.833 -5.165 1.00 1.76 C ATOM 750 O GLU A 50 -8.595 9.907 -4.353 1.00 1.74 O ATOM 751 CB GLU A 50 -11.929 10.340 -4.633 1.00 1.79 C ATOM 752 CG GLU A 50 -12.896 10.319 -5.830 1.00 1.96 C ATOM 753 CD GLU A 50 -12.218 10.917 -7.064 1.00 2.07 C ATOM 754 OE1 GLU A 50 -11.555 10.177 -7.775 1.00 2.27 O ATOM 755 OE2 GLU A 50 -12.358 12.106 -7.274 1.00 2.07 O ATOM 0 H GLU A 50 -10.858 7.507 -3.559 1.00 1.60 H new ATOM 0 HA GLU A 50 -11.142 8.565 -5.611 1.00 1.75 H new ATOM 0 HB2 GLU A 50 -12.481 10.188 -3.705 1.00 1.79 H new ATOM 0 HB3 GLU A 50 -11.447 11.315 -4.561 1.00 1.79 H new ATOM 0 HG2 GLU A 50 -13.208 9.295 -6.037 1.00 1.96 H new ATOM 0 HG3 GLU A 50 -13.796 10.885 -5.590 1.00 1.96 H new ATOM 762 N SER A 51 -9.340 10.236 -6.391 1.00 1.91 N ATOM 763 CA SER A 51 -8.033 10.815 -6.847 1.00 1.99 C ATOM 764 C SER A 51 -8.242 11.989 -7.815 1.00 2.16 C ATOM 765 O SER A 51 -7.423 12.884 -7.895 1.00 2.28 O ATOM 766 CB SER A 51 -7.307 9.660 -7.545 1.00 2.02 C ATOM 767 OG SER A 51 -7.868 9.455 -8.839 1.00 2.09 O ATOM 0 H SER A 51 -10.063 10.192 -7.109 1.00 1.91 H new ATOM 0 HA SER A 51 -7.462 11.217 -6.010 1.00 1.99 H new ATOM 0 HB2 SER A 51 -6.244 9.884 -7.630 1.00 2.02 H new ATOM 0 HB3 SER A 51 -7.395 8.750 -6.951 1.00 2.02 H new ATOM 0 HG SER A 51 -7.402 8.717 -9.285 1.00 2.09 H new ATOM 773 N ILE A 52 -9.323 11.992 -8.552 1.00 2.25 N ATOM 774 CA ILE A 52 -9.580 13.107 -9.516 1.00 2.46 C ATOM 775 C ILE A 52 -10.009 14.371 -8.769 1.00 2.46 C ATOM 776 O ILE A 52 -9.463 15.439 -8.975 1.00 2.63 O ATOM 777 CB ILE A 52 -10.720 12.609 -10.410 1.00 2.57 C ATOM 778 CG1 ILE A 52 -10.290 11.330 -11.127 1.00 2.65 C ATOM 779 CG2 ILE A 52 -11.057 13.676 -11.449 1.00 2.82 C ATOM 780 CD1 ILE A 52 -11.523 10.617 -11.692 1.00 2.81 C ATOM 0 H ILE A 52 -10.042 11.269 -8.528 1.00 2.25 H new ATOM 0 HA ILE A 52 -8.689 13.362 -10.090 1.00 2.46 H new ATOM 0 HB ILE A 52 -11.596 12.406 -9.794 1.00 2.57 H new ATOM 0 HG12 ILE A 52 -9.595 11.569 -11.932 1.00 2.65 H new ATOM 0 HG13 ILE A 52 -9.763 10.673 -10.435 1.00 2.65 H new ATOM 0 HG21 ILE A 52 -11.868 13.321 -12.085 1.00 2.82 H new ATOM 0 HG22 ILE A 52 -11.366 14.591 -10.944 1.00 2.82 H new ATOM 0 HG23 ILE A 52 -10.178 13.878 -12.061 1.00 2.82 H new ATOM 0 HD11 ILE A 52 -11.214 9.705 -12.203 1.00 2.81 H new ATOM 0 HD12 ILE A 52 -12.202 10.364 -10.878 1.00 2.81 H new ATOM 0 HD13 ILE A 52 -12.031 11.274 -12.398 1.00 2.81 H new ATOM 792 N VAL A 53 -10.990 14.264 -7.911 1.00 2.33 N ATOM 793 CA VAL A 53 -11.457 15.475 -7.163 1.00 2.40 C ATOM 794 C VAL A 53 -11.666 15.187 -5.661 1.00 2.15 C ATOM 795 O VAL A 53 -11.427 16.049 -4.836 1.00 2.23 O ATOM 796 CB VAL A 53 -12.763 15.895 -7.856 1.00 2.54 C ATOM 797 CG1 VAL A 53 -13.844 14.822 -7.685 1.00 2.39 C ATOM 798 CG2 VAL A 53 -13.253 17.208 -7.249 1.00 2.67 C ATOM 0 H VAL A 53 -11.486 13.399 -7.695 1.00 2.33 H new ATOM 0 HA VAL A 53 -10.714 16.272 -7.188 1.00 2.40 H new ATOM 0 HB VAL A 53 -12.567 16.021 -8.921 1.00 2.54 H new ATOM 0 HG11 VAL A 53 -14.758 15.143 -8.184 1.00 2.39 H new ATOM 0 HG12 VAL A 53 -13.500 13.886 -8.125 1.00 2.39 H new ATOM 0 HG13 VAL A 53 -14.044 14.673 -6.624 1.00 2.39 H new ATOM 0 HG21 VAL A 53 -14.179 17.511 -7.737 1.00 2.67 H new ATOM 0 HG22 VAL A 53 -13.432 17.071 -6.183 1.00 2.67 H new ATOM 0 HG23 VAL A 53 -12.497 17.980 -7.394 1.00 2.67 H new ATOM 808 N GLY A 54 -12.095 13.997 -5.292 1.00 1.92 N ATOM 809 CA GLY A 54 -12.300 13.673 -3.837 1.00 1.74 C ATOM 810 C GLY A 54 -13.449 14.507 -3.250 1.00 1.69 C ATOM 811 O GLY A 54 -14.470 13.976 -2.858 1.00 1.60 O ATOM 0 H GLY A 54 -12.312 13.236 -5.936 1.00 1.92 H new ATOM 0 HA2 GLY A 54 -12.520 12.611 -3.723 1.00 1.74 H new ATOM 0 HA3 GLY A 54 -11.382 13.869 -3.283 1.00 1.74 H new ATOM 815 N ASP A 55 -13.287 15.804 -3.185 1.00 1.87 N ATOM 816 CA ASP A 55 -14.362 16.682 -2.629 1.00 1.90 C ATOM 817 C ASP A 55 -15.336 17.098 -3.743 1.00 2.13 C ATOM 818 O ASP A 55 -14.963 17.224 -4.892 1.00 2.46 O ATOM 819 CB ASP A 55 -13.619 17.903 -2.068 1.00 2.18 C ATOM 820 CG ASP A 55 -14.508 18.638 -1.065 1.00 2.17 C ATOM 821 OD1 ASP A 55 -14.860 18.037 -0.062 1.00 2.09 O ATOM 822 OD2 ASP A 55 -14.825 19.786 -1.315 1.00 2.52 O ATOM 0 H ASP A 55 -12.450 16.297 -3.496 1.00 1.87 H new ATOM 0 HA ASP A 55 -14.957 16.182 -1.865 1.00 1.90 H new ATOM 0 HB2 ASP A 55 -12.695 17.587 -1.584 1.00 2.18 H new ATOM 0 HB3 ASP A 55 -13.340 18.574 -2.880 1.00 2.18 H new ATOM 827 N GLY A 56 -16.583 17.312 -3.413 1.00 2.05 N ATOM 828 CA GLY A 56 -17.576 17.720 -4.455 1.00 2.33 C ATOM 829 C GLY A 56 -18.958 17.788 -3.819 1.00 2.16 C ATOM 830 O GLY A 56 -19.570 18.839 -3.753 1.00 2.28 O ATOM 0 H GLY A 56 -16.958 17.222 -2.469 1.00 2.05 H new ATOM 0 HA2 GLY A 56 -17.306 18.689 -4.874 1.00 2.33 H new ATOM 0 HA3 GLY A 56 -17.574 17.005 -5.278 1.00 2.33 H new ATOM 834 N GLU A 57 -19.446 16.680 -3.328 1.00 1.96 N ATOM 835 CA GLU A 57 -20.785 16.684 -2.666 1.00 1.89 C ATOM 836 C GLU A 57 -20.633 16.416 -1.160 1.00 1.67 C ATOM 837 O GLU A 57 -21.539 15.931 -0.507 1.00 1.67 O ATOM 838 CB GLU A 57 -21.588 15.575 -3.354 1.00 2.09 C ATOM 839 CG GLU A 57 -23.086 15.917 -3.303 1.00 2.30 C ATOM 840 CD GLU A 57 -23.369 17.174 -4.132 1.00 2.44 C ATOM 841 OE1 GLU A 57 -23.303 18.260 -3.569 1.00 2.36 O ATOM 842 OE2 GLU A 57 -23.648 17.035 -5.310 1.00 2.76 O ATOM 0 H GLU A 57 -18.978 15.774 -3.356 1.00 1.96 H new ATOM 0 HA GLU A 57 -21.288 17.646 -2.760 1.00 1.89 H new ATOM 0 HB2 GLU A 57 -21.264 15.466 -4.389 1.00 2.09 H new ATOM 0 HB3 GLU A 57 -21.405 14.620 -2.861 1.00 2.09 H new ATOM 0 HG2 GLU A 57 -23.671 15.081 -3.686 1.00 2.30 H new ATOM 0 HG3 GLU A 57 -23.395 16.076 -2.270 1.00 2.30 H new ATOM 849 N THR A 58 -19.491 16.740 -0.605 1.00 1.63 N ATOM 850 CA THR A 58 -19.253 16.523 0.855 1.00 1.57 C ATOM 851 C THR A 58 -20.082 17.520 1.682 1.00 1.57 C ATOM 852 O THR A 58 -19.548 18.347 2.396 1.00 1.74 O ATOM 853 CB THR A 58 -17.743 16.760 1.061 1.00 1.72 C ATOM 854 OG1 THR A 58 -17.104 16.950 -0.199 1.00 1.86 O ATOM 855 CG2 THR A 58 -17.121 15.550 1.757 1.00 2.05 C ATOM 0 H THR A 58 -18.704 17.151 -1.108 1.00 1.63 H new ATOM 0 HA THR A 58 -19.549 15.525 1.177 1.00 1.57 H new ATOM 0 HB THR A 58 -17.607 17.649 1.676 1.00 1.72 H new ATOM 0 HG1 THR A 58 -16.135 16.850 -0.093 1.00 1.86 H new ATOM 0 HG21 THR A 58 -16.054 15.721 1.901 1.00 2.05 H new ATOM 0 HG22 THR A 58 -17.598 15.402 2.726 1.00 2.05 H new ATOM 0 HG23 THR A 58 -17.266 14.662 1.142 1.00 2.05 H new ATOM 863 N LYS A 59 -21.387 17.445 1.585 1.00 1.50 N ATOM 864 CA LYS A 59 -22.265 18.379 2.356 1.00 1.54 C ATOM 865 C LYS A 59 -23.066 17.605 3.412 1.00 1.50 C ATOM 866 O LYS A 59 -23.344 16.432 3.255 1.00 1.58 O ATOM 867 CB LYS A 59 -23.204 18.994 1.313 1.00 1.68 C ATOM 868 CG LYS A 59 -22.467 20.091 0.541 1.00 1.82 C ATOM 869 CD LYS A 59 -22.625 19.854 -0.964 1.00 1.95 C ATOM 870 CE LYS A 59 -21.354 20.307 -1.687 1.00 2.07 C ATOM 871 NZ LYS A 59 -21.574 19.969 -3.125 1.00 2.22 N ATOM 0 H LYS A 59 -21.884 16.773 1.001 1.00 1.50 H new ATOM 0 HA LYS A 59 -21.692 19.139 2.887 1.00 1.54 H new ATOM 0 HB2 LYS A 59 -23.554 18.224 0.625 1.00 1.68 H new ATOM 0 HB3 LYS A 59 -24.085 19.409 1.802 1.00 1.68 H new ATOM 0 HG2 LYS A 59 -22.866 21.069 0.809 1.00 1.82 H new ATOM 0 HG3 LYS A 59 -21.411 20.093 0.810 1.00 1.82 H new ATOM 0 HD2 LYS A 59 -22.811 18.798 -1.159 1.00 1.95 H new ATOM 0 HD3 LYS A 59 -23.487 20.404 -1.341 1.00 1.95 H new ATOM 0 HE2 LYS A 59 -21.187 21.376 -1.556 1.00 2.07 H new ATOM 0 HE3 LYS A 59 -20.475 19.797 -1.293 1.00 2.07 H new ATOM 0 HZ1 LYS A 59 -20.712 19.537 -3.516 1.00 2.22 H new ATOM 0 HZ2 LYS A 59 -22.365 19.299 -3.207 1.00 2.22 H new ATOM 0 HZ3 LYS A 59 -21.798 20.835 -3.655 1.00 2.22 H new ATOM 885 N GLU A 60 -23.435 18.254 4.485 1.00 1.47 N ATOM 886 CA GLU A 60 -24.214 17.562 5.556 1.00 1.53 C ATOM 887 C GLU A 60 -25.636 18.149 5.647 1.00 1.64 C ATOM 888 O GLU A 60 -25.947 18.875 6.572 1.00 1.65 O ATOM 889 CB GLU A 60 -23.428 17.832 6.844 1.00 1.54 C ATOM 890 CG GLU A 60 -22.017 17.229 6.732 1.00 1.38 C ATOM 891 CD GLU A 60 -20.989 18.343 6.517 1.00 1.37 C ATOM 892 OE1 GLU A 60 -20.830 18.771 5.388 1.00 1.42 O ATOM 893 OE2 GLU A 60 -20.372 18.742 7.492 1.00 1.58 O ATOM 0 H GLU A 60 -23.230 19.237 4.667 1.00 1.47 H new ATOM 0 HA GLU A 60 -24.330 16.495 5.365 1.00 1.53 H new ATOM 0 HB2 GLU A 60 -23.361 18.905 7.021 1.00 1.54 H new ATOM 0 HB3 GLU A 60 -23.951 17.400 7.697 1.00 1.54 H new ATOM 0 HG2 GLU A 60 -21.778 16.671 7.637 1.00 1.38 H new ATOM 0 HG3 GLU A 60 -21.979 16.522 5.903 1.00 1.38 H new ATOM 900 N PRO A 61 -26.459 17.813 4.676 1.00 1.76 N ATOM 901 CA PRO A 61 -27.861 18.319 4.654 1.00 1.92 C ATOM 902 C PRO A 61 -28.702 17.688 5.777 1.00 1.93 C ATOM 903 O PRO A 61 -29.584 18.321 6.324 1.00 2.12 O ATOM 904 CB PRO A 61 -28.373 17.900 3.275 1.00 2.07 C ATOM 905 CG PRO A 61 -27.522 16.733 2.888 1.00 1.99 C ATOM 906 CD PRO A 61 -26.173 16.946 3.525 1.00 1.82 C ATOM 0 HA PRO A 61 -27.923 19.395 4.819 1.00 1.92 H new ATOM 0 HB2 PRO A 61 -29.427 17.626 3.311 1.00 2.07 H new ATOM 0 HB3 PRO A 61 -28.280 18.713 2.555 1.00 2.07 H new ATOM 0 HG2 PRO A 61 -27.968 15.799 3.231 1.00 1.99 H new ATOM 0 HG3 PRO A 61 -27.431 16.664 1.804 1.00 1.99 H new ATOM 0 HD2 PRO A 61 -25.725 16.003 3.837 1.00 1.82 H new ATOM 0 HD3 PRO A 61 -25.475 17.417 2.834 1.00 1.82 H new ATOM 914 N PHE A 62 -28.439 16.455 6.130 1.00 1.81 N ATOM 915 CA PHE A 62 -29.220 15.795 7.217 1.00 1.84 C ATOM 916 C PHE A 62 -28.275 15.214 8.276 1.00 1.68 C ATOM 917 O PHE A 62 -27.097 15.032 8.033 1.00 1.56 O ATOM 918 CB PHE A 62 -29.996 14.668 6.532 1.00 2.00 C ATOM 919 CG PHE A 62 -31.482 14.884 6.699 1.00 2.03 C ATOM 920 CD1 PHE A 62 -32.120 15.930 6.023 1.00 2.45 C ATOM 921 CD2 PHE A 62 -32.225 14.027 7.520 1.00 2.21 C ATOM 922 CE1 PHE A 62 -33.500 16.123 6.171 1.00 2.82 C ATOM 923 CE2 PHE A 62 -33.604 14.219 7.670 1.00 2.58 C ATOM 924 CZ PHE A 62 -34.242 15.267 6.994 1.00 2.80 C ATOM 0 H PHE A 62 -27.713 15.875 5.709 1.00 1.81 H new ATOM 0 HA PHE A 62 -29.881 16.498 7.724 1.00 1.84 H new ATOM 0 HB2 PHE A 62 -29.743 14.633 5.472 1.00 2.00 H new ATOM 0 HB3 PHE A 62 -29.710 13.707 6.960 1.00 2.00 H new ATOM 0 HD1 PHE A 62 -31.548 16.589 5.387 1.00 2.45 H new ATOM 0 HD2 PHE A 62 -31.734 13.217 8.038 1.00 2.21 H new ATOM 0 HE1 PHE A 62 -33.991 16.932 5.650 1.00 2.82 H new ATOM 0 HE2 PHE A 62 -34.175 13.560 8.306 1.00 2.58 H new ATOM 0 HZ PHE A 62 -35.306 15.415 7.108 1.00 2.80 H new ATOM 934 N LEU A 63 -28.785 14.903 9.444 1.00 1.72 N ATOM 935 CA LEU A 63 -27.907 14.316 10.515 1.00 1.61 C ATOM 936 C LEU A 63 -27.226 13.035 10.009 1.00 1.58 C ATOM 937 O LEU A 63 -26.097 12.742 10.363 1.00 1.48 O ATOM 938 CB LEU A 63 -28.824 14.023 11.714 1.00 1.74 C ATOM 939 CG LEU A 63 -29.974 13.094 11.304 1.00 1.98 C ATOM 940 CD1 LEU A 63 -29.734 11.698 11.878 1.00 2.10 C ATOM 941 CD2 LEU A 63 -31.287 13.647 11.856 1.00 2.16 C ATOM 0 H LEU A 63 -29.763 15.028 9.704 1.00 1.72 H new ATOM 0 HA LEU A 63 -27.109 15.003 10.798 1.00 1.61 H new ATOM 0 HB2 LEU A 63 -28.246 13.563 12.516 1.00 1.74 H new ATOM 0 HB3 LEU A 63 -29.227 14.957 12.107 1.00 1.74 H new ATOM 0 HG LEU A 63 -30.025 13.035 10.217 1.00 1.98 H new ATOM 0 HD11 LEU A 63 -30.552 11.039 11.586 1.00 2.10 H new ATOM 0 HD12 LEU A 63 -28.794 11.303 11.493 1.00 2.10 H new ATOM 0 HD13 LEU A 63 -29.685 11.755 12.965 1.00 2.10 H new ATOM 0 HD21 LEU A 63 -32.108 12.991 11.568 1.00 2.16 H new ATOM 0 HD22 LEU A 63 -31.230 13.701 12.943 1.00 2.16 H new ATOM 0 HD23 LEU A 63 -31.460 14.644 11.452 1.00 2.16 H new ATOM 953 N LEU A 64 -27.895 12.290 9.165 1.00 1.69 N ATOM 954 CA LEU A 64 -27.289 11.041 8.606 1.00 1.71 C ATOM 955 C LEU A 64 -26.081 11.406 7.735 1.00 1.57 C ATOM 956 O LEU A 64 -25.002 10.857 7.892 1.00 1.49 O ATOM 957 CB LEU A 64 -28.395 10.393 7.763 1.00 1.90 C ATOM 958 CG LEU A 64 -28.447 8.892 8.053 1.00 2.05 C ATOM 959 CD1 LEU A 64 -29.877 8.497 8.432 1.00 2.45 C ATOM 960 CD2 LEU A 64 -28.015 8.117 6.806 1.00 2.34 C ATOM 0 H LEU A 64 -28.839 12.494 8.837 1.00 1.69 H new ATOM 0 HA LEU A 64 -26.936 10.362 9.383 1.00 1.71 H new ATOM 0 HB2 LEU A 64 -29.357 10.852 7.992 1.00 1.90 H new ATOM 0 HB3 LEU A 64 -28.205 10.563 6.703 1.00 1.90 H new ATOM 0 HG LEU A 64 -27.774 8.656 8.877 1.00 2.05 H new ATOM 0 HD11 LEU A 64 -29.916 7.428 8.639 1.00 2.45 H new ATOM 0 HD12 LEU A 64 -30.184 9.050 9.320 1.00 2.45 H new ATOM 0 HD13 LEU A 64 -30.550 8.732 7.607 1.00 2.45 H new ATOM 0 HD21 LEU A 64 -28.052 7.047 7.012 1.00 2.34 H new ATOM 0 HD22 LEU A 64 -28.688 8.351 5.981 1.00 2.34 H new ATOM 0 HD23 LEU A 64 -26.998 8.400 6.536 1.00 2.34 H new ATOM 972 N VAL A 65 -26.239 12.348 6.835 1.00 1.57 N ATOM 973 CA VAL A 65 -25.082 12.758 5.980 1.00 1.46 C ATOM 974 C VAL A 65 -24.070 13.514 6.837 1.00 1.30 C ATOM 975 O VAL A 65 -22.883 13.425 6.620 1.00 1.23 O ATOM 976 CB VAL A 65 -25.632 13.672 4.885 1.00 1.54 C ATOM 977 CG1 VAL A 65 -24.588 13.799 3.775 1.00 1.49 C ATOM 978 CG2 VAL A 65 -26.918 13.085 4.292 1.00 1.74 C ATOM 0 H VAL A 65 -27.111 12.846 6.657 1.00 1.57 H new ATOM 0 HA VAL A 65 -24.585 11.893 5.540 1.00 1.46 H new ATOM 0 HB VAL A 65 -25.853 14.648 5.316 1.00 1.54 H new ATOM 0 HG11 VAL A 65 -24.971 14.449 2.988 1.00 1.49 H new ATOM 0 HG12 VAL A 65 -23.672 14.225 4.184 1.00 1.49 H new ATOM 0 HG13 VAL A 65 -24.376 12.814 3.360 1.00 1.49 H new ATOM 0 HG21 VAL A 65 -27.296 13.748 3.514 1.00 1.74 H new ATOM 0 HG22 VAL A 65 -26.707 12.106 3.863 1.00 1.74 H new ATOM 0 HG23 VAL A 65 -27.667 12.983 5.077 1.00 1.74 H new ATOM 988 N GLN A 66 -24.535 14.237 7.823 1.00 1.27 N ATOM 989 CA GLN A 66 -23.596 14.977 8.721 1.00 1.15 C ATOM 990 C GLN A 66 -22.624 13.973 9.338 1.00 1.06 C ATOM 991 O GLN A 66 -21.423 14.080 9.192 1.00 0.97 O ATOM 992 CB GLN A 66 -24.485 15.628 9.790 1.00 1.21 C ATOM 993 CG GLN A 66 -23.914 16.998 10.186 1.00 1.18 C ATOM 994 CD GLN A 66 -22.747 16.821 11.158 1.00 1.07 C ATOM 995 OE1 GLN A 66 -21.646 17.256 10.886 1.00 1.03 O ATOM 996 NE2 GLN A 66 -22.938 16.204 12.289 1.00 1.23 N ATOM 0 H GLN A 66 -25.524 14.347 8.046 1.00 1.27 H new ATOM 0 HA GLN A 66 -23.004 15.732 8.203 1.00 1.15 H new ATOM 0 HB2 GLN A 66 -25.500 15.744 9.409 1.00 1.21 H new ATOM 0 HB3 GLN A 66 -24.545 14.983 10.667 1.00 1.21 H new ATOM 0 HG2 GLN A 66 -23.579 17.532 9.297 1.00 1.18 H new ATOM 0 HG3 GLN A 66 -24.693 17.605 10.647 1.00 1.18 H new ATOM 0 HE21 GLN A 66 -23.861 15.838 12.520 1.00 1.23 H new ATOM 0 HE22 GLN A 66 -22.164 16.087 12.943 1.00 1.23 H new ATOM 1005 N TYR A 67 -23.147 12.969 9.988 1.00 1.12 N ATOM 1006 CA TYR A 67 -22.268 11.916 10.586 1.00 1.10 C ATOM 1007 C TYR A 67 -21.497 11.199 9.470 1.00 1.08 C ATOM 1008 O TYR A 67 -20.318 10.921 9.589 1.00 1.01 O ATOM 1009 CB TYR A 67 -23.222 10.947 11.292 1.00 1.25 C ATOM 1010 CG TYR A 67 -23.357 11.336 12.746 1.00 1.48 C ATOM 1011 CD1 TYR A 67 -22.363 10.973 13.665 1.00 1.80 C ATOM 1012 CD2 TYR A 67 -24.476 12.059 13.178 1.00 1.84 C ATOM 1013 CE1 TYR A 67 -22.490 11.334 15.013 1.00 2.28 C ATOM 1014 CE2 TYR A 67 -24.600 12.418 14.528 1.00 2.28 C ATOM 1015 CZ TYR A 67 -23.607 12.054 15.443 1.00 2.44 C ATOM 1016 OH TYR A 67 -23.731 12.404 16.770 1.00 3.01 O ATOM 0 H TYR A 67 -24.147 12.830 10.133 1.00 1.12 H new ATOM 0 HA TYR A 67 -21.533 12.327 11.278 1.00 1.10 H new ATOM 0 HB2 TYR A 67 -24.199 10.965 10.808 1.00 1.25 H new ATOM 0 HB3 TYR A 67 -22.846 9.927 11.212 1.00 1.25 H new ATOM 0 HD1 TYR A 67 -21.499 10.415 13.334 1.00 1.80 H new ATOM 0 HD2 TYR A 67 -25.243 12.340 12.472 1.00 1.84 H new ATOM 0 HE1 TYR A 67 -21.723 11.055 15.720 1.00 2.28 H new ATOM 0 HE2 TYR A 67 -25.463 12.976 14.861 1.00 2.28 H new ATOM 0 HH TYR A 67 -24.565 12.902 16.900 1.00 3.01 H new ATOM 1026 N SER A 68 -22.170 10.920 8.382 1.00 1.18 N ATOM 1027 CA SER A 68 -21.508 10.233 7.223 1.00 1.22 C ATOM 1028 C SER A 68 -20.347 11.083 6.693 1.00 1.11 C ATOM 1029 O SER A 68 -19.324 10.563 6.309 1.00 1.12 O ATOM 1030 CB SER A 68 -22.596 10.084 6.151 1.00 1.36 C ATOM 1031 OG SER A 68 -23.659 9.281 6.657 1.00 1.50 O ATOM 0 H SER A 68 -23.156 11.139 8.243 1.00 1.18 H new ATOM 0 HA SER A 68 -21.093 9.267 7.510 1.00 1.22 H new ATOM 0 HB2 SER A 68 -22.973 11.065 5.863 1.00 1.36 H new ATOM 0 HB3 SER A 68 -22.177 9.628 5.254 1.00 1.36 H new ATOM 0 HG SER A 68 -24.449 9.841 6.809 1.00 1.50 H new ATOM 1037 N ALA A 69 -20.495 12.386 6.673 1.00 1.05 N ATOM 1038 CA ALA A 69 -19.386 13.263 6.177 1.00 0.99 C ATOM 1039 C ALA A 69 -18.348 13.483 7.285 1.00 0.86 C ATOM 1040 O ALA A 69 -17.156 13.482 7.039 1.00 0.85 O ATOM 1041 CB ALA A 69 -20.060 14.583 5.789 1.00 1.04 C ATOM 0 H ALA A 69 -21.334 12.880 6.978 1.00 1.05 H new ATOM 0 HA ALA A 69 -18.855 12.821 5.334 1.00 0.99 H new ATOM 0 HB1 ALA A 69 -19.309 15.279 5.415 1.00 1.04 H new ATOM 0 HB2 ALA A 69 -20.802 14.398 5.012 1.00 1.04 H new ATOM 0 HB3 ALA A 69 -20.549 15.012 6.663 1.00 1.04 H new ATOM 1047 N LYS A 70 -18.796 13.661 8.500 1.00 0.80 N ATOM 1048 CA LYS A 70 -17.841 13.876 9.640 1.00 0.71 C ATOM 1049 C LYS A 70 -16.932 12.661 9.814 1.00 0.70 C ATOM 1050 O LYS A 70 -15.745 12.795 10.033 1.00 0.71 O ATOM 1051 CB LYS A 70 -18.712 14.056 10.886 1.00 0.74 C ATOM 1052 CG LYS A 70 -19.523 15.344 10.773 1.00 0.79 C ATOM 1053 CD LYS A 70 -18.634 16.556 11.071 1.00 0.85 C ATOM 1054 CE LYS A 70 -18.519 17.428 9.815 1.00 0.98 C ATOM 1055 NZ LYS A 70 -19.748 18.280 9.810 1.00 1.06 N ATOM 0 H LYS A 70 -19.783 13.668 8.758 1.00 0.80 H new ATOM 0 HA LYS A 70 -17.200 14.740 9.462 1.00 0.71 H new ATOM 0 HB2 LYS A 70 -19.382 13.203 10.998 1.00 0.74 H new ATOM 0 HB3 LYS A 70 -18.085 14.088 11.777 1.00 0.74 H new ATOM 0 HG2 LYS A 70 -19.945 15.430 9.772 1.00 0.79 H new ATOM 0 HG3 LYS A 70 -20.360 15.318 11.470 1.00 0.79 H new ATOM 0 HD2 LYS A 70 -19.055 17.136 11.892 1.00 0.85 H new ATOM 0 HD3 LYS A 70 -17.645 16.226 11.389 1.00 0.85 H new ATOM 0 HE2 LYS A 70 -17.617 18.039 9.842 1.00 0.98 H new ATOM 0 HE3 LYS A 70 -18.462 16.815 8.915 1.00 0.98 H new ATOM 0 HZ1 LYS A 70 -20.070 18.419 8.831 1.00 1.06 H new ATOM 0 HZ2 LYS A 70 -20.497 17.811 10.358 1.00 1.06 H new ATOM 0 HZ3 LYS A 70 -19.532 19.203 10.238 1.00 1.06 H new ATOM 1069 N GLY A 71 -17.494 11.484 9.721 1.00 0.77 N ATOM 1070 CA GLY A 71 -16.690 10.222 9.879 1.00 0.83 C ATOM 1071 C GLY A 71 -15.359 10.334 9.124 1.00 0.80 C ATOM 1072 O GLY A 71 -14.308 10.364 9.739 1.00 0.77 O ATOM 0 H GLY A 71 -18.487 11.336 9.540 1.00 0.77 H new ATOM 0 HA2 GLY A 71 -16.501 10.035 10.936 1.00 0.83 H new ATOM 0 HA3 GLY A 71 -17.259 9.372 9.501 1.00 0.83 H new ATOM 1076 N PRO A 72 -15.441 10.407 7.815 1.00 0.87 N ATOM 1077 CA PRO A 72 -14.214 10.535 6.985 1.00 0.91 C ATOM 1078 C PRO A 72 -13.535 11.887 7.246 1.00 0.84 C ATOM 1079 O PRO A 72 -12.324 11.964 7.327 1.00 0.86 O ATOM 1080 CB PRO A 72 -14.732 10.419 5.552 1.00 1.03 C ATOM 1081 CG PRO A 72 -16.167 10.828 5.634 1.00 1.03 C ATOM 1082 CD PRO A 72 -16.655 10.386 6.989 1.00 0.96 C ATOM 0 HA PRO A 72 -13.457 9.782 7.205 1.00 0.91 H new ATOM 0 HB2 PRO A 72 -14.174 11.066 4.875 1.00 1.03 H new ATOM 0 HB3 PRO A 72 -14.631 9.401 5.175 1.00 1.03 H new ATOM 0 HG2 PRO A 72 -16.271 11.907 5.516 1.00 1.03 H new ATOM 0 HG3 PRO A 72 -16.750 10.362 4.840 1.00 1.03 H new ATOM 0 HD2 PRO A 72 -17.418 11.059 7.380 1.00 0.96 H new ATOM 0 HD3 PRO A 72 -17.097 9.391 6.951 1.00 0.96 H new ATOM 1090 N CYS A 73 -14.296 12.949 7.415 1.00 0.80 N ATOM 1091 CA CYS A 73 -13.663 14.276 7.705 1.00 0.80 C ATOM 1092 C CYS A 73 -12.822 14.173 8.981 1.00 0.73 C ATOM 1093 O CYS A 73 -11.692 14.623 9.033 1.00 0.78 O ATOM 1094 CB CYS A 73 -14.820 15.264 7.896 1.00 0.82 C ATOM 1095 SG CYS A 73 -14.830 16.450 6.528 1.00 1.55 S ATOM 0 H CYS A 73 -15.315 12.952 7.365 1.00 0.80 H new ATOM 0 HA CYS A 73 -13.002 14.601 6.901 1.00 0.80 H new ATOM 0 HB2 CYS A 73 -15.768 14.728 7.934 1.00 0.82 H new ATOM 0 HB3 CYS A 73 -14.712 15.788 8.846 1.00 0.82 H new ATOM 0 HG CYS A 73 -15.812 17.287 6.687 1.00 1.55 H new ATOM 1101 N VAL A 74 -13.357 13.553 9.996 1.00 0.68 N ATOM 1102 CA VAL A 74 -12.585 13.383 11.265 1.00 0.65 C ATOM 1103 C VAL A 74 -11.519 12.309 11.065 1.00 0.67 C ATOM 1104 O VAL A 74 -10.392 12.463 11.490 1.00 0.71 O ATOM 1105 CB VAL A 74 -13.611 12.965 12.327 1.00 0.64 C ATOM 1106 CG1 VAL A 74 -12.891 12.565 13.620 1.00 0.74 C ATOM 1107 CG2 VAL A 74 -14.549 14.138 12.620 1.00 0.68 C ATOM 0 H VAL A 74 -14.296 13.155 10.004 1.00 0.68 H new ATOM 0 HA VAL A 74 -12.071 14.295 11.569 1.00 0.65 H new ATOM 0 HB VAL A 74 -14.184 12.116 11.953 1.00 0.64 H new ATOM 0 HG11 VAL A 74 -13.626 12.270 14.369 1.00 0.74 H new ATOM 0 HG12 VAL A 74 -12.221 11.729 13.420 1.00 0.74 H new ATOM 0 HG13 VAL A 74 -12.314 13.412 13.992 1.00 0.74 H new ATOM 0 HG21 VAL A 74 -15.278 13.841 13.374 1.00 0.68 H new ATOM 0 HG22 VAL A 74 -13.969 14.984 12.989 1.00 0.68 H new ATOM 0 HG23 VAL A 74 -15.069 14.425 11.706 1.00 0.68 H new ATOM 1117 N GLU A 75 -11.864 11.240 10.402 1.00 0.70 N ATOM 1118 CA GLU A 75 -10.865 10.156 10.136 1.00 0.75 C ATOM 1119 C GLU A 75 -9.634 10.754 9.438 1.00 0.79 C ATOM 1120 O GLU A 75 -8.500 10.502 9.816 1.00 0.83 O ATOM 1121 CB GLU A 75 -11.603 9.168 9.219 1.00 0.82 C ATOM 1122 CG GLU A 75 -10.645 8.066 8.742 1.00 0.87 C ATOM 1123 CD GLU A 75 -10.418 8.196 7.236 1.00 0.92 C ATOM 1124 OE1 GLU A 75 -11.298 7.813 6.479 1.00 0.95 O ATOM 1125 OE2 GLU A 75 -9.367 8.681 6.862 1.00 1.06 O ATOM 0 H GLU A 75 -12.798 11.066 10.030 1.00 0.70 H new ATOM 0 HA GLU A 75 -10.506 9.668 11.042 1.00 0.75 H new ATOM 0 HB2 GLU A 75 -12.443 8.723 9.753 1.00 0.82 H new ATOM 0 HB3 GLU A 75 -12.016 9.697 8.360 1.00 0.82 H new ATOM 0 HG2 GLU A 75 -9.695 8.143 9.271 1.00 0.87 H new ATOM 0 HG3 GLU A 75 -11.060 7.085 8.974 1.00 0.87 H new ATOM 1132 N ARG A 76 -9.861 11.571 8.445 1.00 0.80 N ATOM 1133 CA ARG A 76 -8.727 12.220 7.715 1.00 0.87 C ATOM 1134 C ARG A 76 -8.032 13.239 8.621 1.00 0.90 C ATOM 1135 O ARG A 76 -6.816 13.270 8.713 1.00 1.02 O ATOM 1136 CB ARG A 76 -9.364 12.922 6.510 1.00 0.87 C ATOM 1137 CG ARG A 76 -9.323 11.994 5.293 1.00 0.92 C ATOM 1138 CD ARG A 76 -10.538 11.067 5.326 1.00 0.98 C ATOM 1139 NE ARG A 76 -10.410 10.215 4.111 1.00 0.97 N ATOM 1140 CZ ARG A 76 -11.459 9.674 3.582 1.00 0.99 C ATOM 1141 NH1 ARG A 76 -12.020 8.650 4.144 1.00 1.02 N ATOM 1142 NH2 ARG A 76 -11.956 10.163 2.497 1.00 1.09 N ATOM 0 H ARG A 76 -10.789 11.820 8.104 1.00 0.80 H new ATOM 0 HA ARG A 76 -7.973 11.496 7.407 1.00 0.87 H new ATOM 0 HB2 ARG A 76 -10.395 13.194 6.738 1.00 0.87 H new ATOM 0 HB3 ARG A 76 -8.831 13.848 6.292 1.00 0.87 H new ATOM 0 HG2 ARG A 76 -9.323 12.580 4.374 1.00 0.92 H new ATOM 0 HG3 ARG A 76 -8.404 11.408 5.298 1.00 0.92 H new ATOM 0 HD2 ARG A 76 -10.547 10.462 6.233 1.00 0.98 H new ATOM 0 HD3 ARG A 76 -11.468 11.635 5.313 1.00 0.98 H new ATOM 0 HE ARG A 76 -9.492 10.058 3.695 1.00 0.97 H new ATOM 0 HH11 ARG A 76 -11.634 8.267 5.007 1.00 1.02 H new ATOM 0 HH12 ARG A 76 -12.847 8.227 3.723 1.00 1.02 H new ATOM 0 HH21 ARG A 76 -11.522 10.975 2.058 1.00 1.09 H new ATOM 0 HH22 ARG A 76 -12.783 9.738 2.078 1.00 1.09 H new ATOM 1156 N LYS A 77 -8.793 14.069 9.296 1.00 0.84 N ATOM 1157 CA LYS A 77 -8.179 15.085 10.209 1.00 0.92 C ATOM 1158 C LYS A 77 -7.383 14.385 11.317 1.00 0.94 C ATOM 1159 O LYS A 77 -6.331 14.846 11.731 1.00 1.09 O ATOM 1160 CB LYS A 77 -9.362 15.869 10.789 1.00 0.89 C ATOM 1161 CG LYS A 77 -9.526 17.185 10.024 1.00 1.00 C ATOM 1162 CD LYS A 77 -8.393 18.146 10.402 1.00 1.10 C ATOM 1163 CE LYS A 77 -8.566 18.597 11.854 1.00 1.63 C ATOM 1164 NZ LYS A 77 -7.224 18.403 12.475 1.00 1.41 N ATOM 0 H LYS A 77 -9.812 14.086 9.254 1.00 0.84 H new ATOM 0 HA LYS A 77 -7.481 15.742 9.691 1.00 0.92 H new ATOM 0 HB2 LYS A 77 -10.275 15.278 10.716 1.00 0.89 H new ATOM 0 HB3 LYS A 77 -9.195 16.069 11.847 1.00 0.89 H new ATOM 0 HG2 LYS A 77 -9.514 16.997 8.950 1.00 1.00 H new ATOM 0 HG3 LYS A 77 -10.491 17.635 10.258 1.00 1.00 H new ATOM 0 HD2 LYS A 77 -7.428 17.655 10.276 1.00 1.10 H new ATOM 0 HD3 LYS A 77 -8.399 19.011 9.739 1.00 1.10 H new ATOM 0 HE2 LYS A 77 -8.881 19.639 11.910 1.00 1.63 H new ATOM 0 HE3 LYS A 77 -9.327 18.006 12.364 1.00 1.63 H new ATOM 0 HZ1 LYS A 77 -7.241 18.753 13.454 1.00 1.41 H new ATOM 0 HZ2 LYS A 77 -6.984 17.391 12.473 1.00 1.41 H new ATOM 0 HZ3 LYS A 77 -6.511 18.929 11.931 1.00 1.41 H new ATOM 1178 N ALA A 78 -7.872 13.265 11.779 1.00 0.83 N ATOM 1179 CA ALA A 78 -7.153 12.501 12.839 1.00 0.89 C ATOM 1180 C ALA A 78 -5.846 11.957 12.260 1.00 0.98 C ATOM 1181 O ALA A 78 -4.789 12.092 12.851 1.00 1.08 O ATOM 1182 CB ALA A 78 -8.103 11.363 13.233 1.00 0.84 C ATOM 0 H ALA A 78 -8.746 12.844 11.464 1.00 0.83 H new ATOM 0 HA ALA A 78 -6.896 13.110 13.706 1.00 0.89 H new ATOM 0 HB1 ALA A 78 -7.641 10.756 14.011 1.00 0.84 H new ATOM 0 HB2 ALA A 78 -9.037 11.782 13.607 1.00 0.84 H new ATOM 0 HB3 ALA A 78 -8.307 10.741 12.361 1.00 0.84 H new ATOM 1188 N LYS A 79 -5.925 11.376 11.091 1.00 0.99 N ATOM 1189 CA LYS A 79 -4.707 10.831 10.411 1.00 1.11 C ATOM 1190 C LYS A 79 -3.709 11.959 10.106 1.00 1.19 C ATOM 1191 O LYS A 79 -2.509 11.776 10.181 1.00 1.26 O ATOM 1192 CB LYS A 79 -5.226 10.240 9.094 1.00 1.13 C ATOM 1193 CG LYS A 79 -5.580 8.761 9.278 1.00 1.17 C ATOM 1194 CD LYS A 79 -6.638 8.357 8.243 1.00 1.16 C ATOM 1195 CE LYS A 79 -6.065 8.502 6.825 1.00 1.31 C ATOM 1196 NZ LYS A 79 -7.185 8.114 5.910 1.00 1.17 N ATOM 0 H LYS A 79 -6.793 11.253 10.570 1.00 0.99 H new ATOM 0 HA LYS A 79 -4.191 10.098 11.031 1.00 1.11 H new ATOM 0 HB2 LYS A 79 -6.105 10.792 8.761 1.00 1.13 H new ATOM 0 HB3 LYS A 79 -4.469 10.346 8.317 1.00 1.13 H new ATOM 0 HG2 LYS A 79 -4.688 8.145 9.162 1.00 1.17 H new ATOM 0 HG3 LYS A 79 -5.957 8.589 10.286 1.00 1.17 H new ATOM 0 HD2 LYS A 79 -6.952 7.327 8.414 1.00 1.16 H new ATOM 0 HD3 LYS A 79 -7.524 8.983 8.352 1.00 1.16 H new ATOM 0 HE2 LYS A 79 -5.737 9.524 6.635 1.00 1.31 H new ATOM 0 HE3 LYS A 79 -5.198 7.857 6.682 1.00 1.31 H new ATOM 0 HZ1 LYS A 79 -7.186 8.739 5.078 1.00 1.17 H new ATOM 0 HZ2 LYS A 79 -7.057 7.129 5.603 1.00 1.17 H new ATOM 0 HZ3 LYS A 79 -8.091 8.205 6.412 1.00 1.17 H new ATOM 1210 N LEU A 80 -4.207 13.117 9.737 1.00 1.24 N ATOM 1211 CA LEU A 80 -3.309 14.263 9.392 1.00 1.35 C ATOM 1212 C LEU A 80 -2.775 14.974 10.641 1.00 1.42 C ATOM 1213 O LEU A 80 -1.594 15.233 10.758 1.00 1.58 O ATOM 1214 CB LEU A 80 -4.190 15.213 8.573 1.00 1.34 C ATOM 1215 CG LEU A 80 -3.358 16.405 8.096 1.00 1.63 C ATOM 1216 CD1 LEU A 80 -2.650 16.045 6.791 1.00 1.93 C ATOM 1217 CD2 LEU A 80 -4.273 17.607 7.860 1.00 1.79 C ATOM 0 H LEU A 80 -5.204 13.317 9.660 1.00 1.24 H new ATOM 0 HA LEU A 80 -2.428 13.924 8.847 1.00 1.35 H new ATOM 0 HB2 LEU A 80 -4.612 14.686 7.717 1.00 1.34 H new ATOM 0 HB3 LEU A 80 -5.027 15.560 9.178 1.00 1.34 H new ATOM 0 HG LEU A 80 -2.618 16.654 8.856 1.00 1.63 H new ATOM 0 HD11 LEU A 80 -2.058 16.895 6.452 1.00 1.93 H new ATOM 0 HD12 LEU A 80 -1.995 15.189 6.956 1.00 1.93 H new ATOM 0 HD13 LEU A 80 -3.391 15.794 6.032 1.00 1.93 H new ATOM 0 HD21 LEU A 80 -3.679 18.455 7.520 1.00 1.79 H new ATOM 0 HD22 LEU A 80 -5.015 17.356 7.102 1.00 1.79 H new ATOM 0 HD23 LEU A 80 -4.779 17.867 8.790 1.00 1.79 H new ATOM 1229 N MET A 81 -3.637 15.326 11.554 1.00 1.37 N ATOM 1230 CA MET A 81 -3.164 16.060 12.773 1.00 1.48 C ATOM 1231 C MET A 81 -3.714 15.460 14.082 1.00 1.27 C ATOM 1232 O MET A 81 -3.306 15.867 15.151 1.00 1.54 O ATOM 1233 CB MET A 81 -3.680 17.485 12.573 1.00 1.70 C ATOM 1234 CG MET A 81 -2.679 18.489 13.152 1.00 2.25 C ATOM 1235 SD MET A 81 -2.936 20.103 12.381 1.00 2.76 S ATOM 1236 CE MET A 81 -1.367 20.176 11.482 1.00 3.92 C ATOM 0 H MET A 81 -4.640 15.142 11.515 1.00 1.37 H new ATOM 0 HA MET A 81 -2.080 16.003 12.874 1.00 1.48 H new ATOM 0 HB2 MET A 81 -3.831 17.680 11.511 1.00 1.70 H new ATOM 0 HB3 MET A 81 -4.648 17.602 13.060 1.00 1.70 H new ATOM 0 HG2 MET A 81 -2.806 18.565 14.232 1.00 2.25 H new ATOM 0 HG3 MET A 81 -1.659 18.147 12.974 1.00 2.25 H new ATOM 0 HE1 MET A 81 -1.311 21.110 10.924 1.00 3.92 H new ATOM 0 HE2 MET A 81 -0.539 20.126 12.190 1.00 3.92 H new ATOM 0 HE3 MET A 81 -1.304 19.336 10.791 1.00 3.92 H new ATOM 1246 N THR A 82 -4.619 14.505 14.020 1.00 1.17 N ATOM 1247 CA THR A 82 -5.182 13.888 15.278 1.00 1.00 C ATOM 1248 C THR A 82 -5.644 14.965 16.277 1.00 1.04 C ATOM 1249 O THR A 82 -4.916 15.325 17.180 1.00 1.24 O ATOM 1250 CB THR A 82 -4.041 13.057 15.886 1.00 1.16 C ATOM 1251 OG1 THR A 82 -3.418 12.259 14.881 1.00 1.27 O ATOM 1252 CG2 THR A 82 -4.608 12.142 16.972 1.00 1.29 C ATOM 0 H THR A 82 -4.995 14.124 13.152 1.00 1.17 H new ATOM 0 HA THR A 82 -6.057 13.279 15.051 1.00 1.00 H new ATOM 0 HB THR A 82 -3.300 13.733 16.313 1.00 1.16 H new ATOM 0 HG1 THR A 82 -4.106 11.835 14.327 1.00 1.27 H new ATOM 0 HG21 THR A 82 -3.802 11.550 17.406 1.00 1.29 H new ATOM 0 HG22 THR A 82 -5.074 12.746 17.750 1.00 1.29 H new ATOM 0 HG23 THR A 82 -5.352 11.476 16.535 1.00 1.29 H new ATOM 1260 N PRO A 83 -6.857 15.438 16.093 1.00 0.95 N ATOM 1261 CA PRO A 83 -7.416 16.484 17.001 1.00 1.09 C ATOM 1262 C PRO A 83 -7.798 15.923 18.383 1.00 1.16 C ATOM 1263 O PRO A 83 -8.536 16.550 19.117 1.00 1.33 O ATOM 1264 CB PRO A 83 -8.665 16.955 16.273 1.00 1.11 C ATOM 1265 CG PRO A 83 -9.067 15.800 15.411 1.00 0.97 C ATOM 1266 CD PRO A 83 -7.809 15.060 15.044 1.00 0.86 C ATOM 0 HA PRO A 83 -6.690 17.272 17.199 1.00 1.09 H new ATOM 0 HB2 PRO A 83 -9.456 17.218 16.975 1.00 1.11 H new ATOM 0 HB3 PRO A 83 -8.462 17.843 15.674 1.00 1.11 H new ATOM 0 HG2 PRO A 83 -9.757 15.145 15.943 1.00 0.97 H new ATOM 0 HG3 PRO A 83 -9.583 16.149 14.517 1.00 0.97 H new ATOM 0 HD2 PRO A 83 -7.972 13.982 15.022 1.00 0.86 H new ATOM 0 HD3 PRO A 83 -7.450 15.348 14.056 1.00 0.86 H new ATOM 1274 N ASN A 84 -7.303 14.771 18.759 1.00 1.15 N ATOM 1275 CA ASN A 84 -7.642 14.205 20.105 1.00 1.38 C ATOM 1276 C ASN A 84 -6.934 15.014 21.209 1.00 1.60 C ATOM 1277 O ASN A 84 -6.231 14.471 22.042 1.00 1.80 O ATOM 1278 CB ASN A 84 -7.135 12.756 20.069 1.00 1.43 C ATOM 1279 CG ASN A 84 -8.300 11.801 19.798 1.00 1.68 C ATOM 1280 OD1 ASN A 84 -8.364 11.185 18.757 1.00 1.97 O ATOM 1281 ND2 ASN A 84 -9.230 11.648 20.699 1.00 2.04 N ATOM 0 H ASN A 84 -6.678 14.196 18.194 1.00 1.15 H new ATOM 0 HA ASN A 84 -8.710 14.248 20.320 1.00 1.38 H new ATOM 0 HB2 ASN A 84 -6.376 12.647 19.294 1.00 1.43 H new ATOM 0 HB3 ASN A 84 -6.661 12.504 21.017 1.00 1.43 H new ATOM 0 HD21 ASN A 84 -10.008 11.011 20.526 1.00 2.04 H new ATOM 0 HD22 ASN A 84 -9.180 12.165 21.577 1.00 2.04 H new ATOM 1288 N GLY A 85 -7.117 16.310 21.206 1.00 1.63 N ATOM 1289 CA GLY A 85 -6.465 17.173 22.242 1.00 1.90 C ATOM 1290 C GLY A 85 -6.619 18.654 21.868 1.00 1.86 C ATOM 1291 O GLY A 85 -7.506 19.319 22.363 1.00 1.91 O ATOM 0 H GLY A 85 -7.692 16.811 20.529 1.00 1.63 H new ATOM 0 HA2 GLY A 85 -6.916 16.987 23.217 1.00 1.90 H new ATOM 0 HA3 GLY A 85 -5.408 16.919 22.326 1.00 1.90 H new ATOM 1295 N PRO A 86 -5.744 19.133 21.010 1.00 1.85 N ATOM 1296 CA PRO A 86 -5.799 20.556 20.589 1.00 1.89 C ATOM 1297 C PRO A 86 -6.841 20.765 19.479 1.00 1.80 C ATOM 1298 O PRO A 86 -7.587 19.866 19.136 1.00 1.72 O ATOM 1299 CB PRO A 86 -4.390 20.826 20.072 1.00 2.02 C ATOM 1300 CG PRO A 86 -3.864 19.492 19.635 1.00 1.98 C ATOM 1301 CD PRO A 86 -4.636 18.416 20.369 1.00 1.87 C ATOM 0 HA PRO A 86 -6.093 21.226 21.397 1.00 1.89 H new ATOM 0 HB2 PRO A 86 -4.405 21.533 19.243 1.00 2.02 H new ATOM 0 HB3 PRO A 86 -3.762 21.260 20.850 1.00 2.02 H new ATOM 0 HG2 PRO A 86 -3.977 19.373 18.557 1.00 1.98 H new ATOM 0 HG3 PRO A 86 -2.799 19.413 19.854 1.00 1.98 H new ATOM 0 HD2 PRO A 86 -5.001 17.652 19.683 1.00 1.87 H new ATOM 0 HD3 PRO A 86 -4.011 17.911 21.105 1.00 1.87 H new ATOM 1309 N GLU A 87 -6.907 21.964 18.941 1.00 1.89 N ATOM 1310 CA GLU A 87 -7.906 22.301 17.865 1.00 1.89 C ATOM 1311 C GLU A 87 -9.325 22.284 18.442 1.00 1.89 C ATOM 1312 O GLU A 87 -10.057 23.252 18.367 1.00 2.00 O ATOM 1313 CB GLU A 87 -7.740 21.235 16.777 1.00 1.81 C ATOM 1314 CG GLU A 87 -8.023 21.864 15.406 1.00 1.91 C ATOM 1315 CD GLU A 87 -7.734 20.866 14.279 1.00 1.80 C ATOM 1316 OE1 GLU A 87 -7.389 19.727 14.567 1.00 2.45 O ATOM 1317 OE2 GLU A 87 -7.865 21.253 13.135 1.00 1.61 O ATOM 0 H GLU A 87 -6.299 22.739 19.207 1.00 1.89 H new ATOM 0 HA GLU A 87 -7.740 23.298 17.457 1.00 1.89 H new ATOM 0 HB2 GLU A 87 -6.729 20.828 16.802 1.00 1.81 H new ATOM 0 HB3 GLU A 87 -8.423 20.405 16.957 1.00 1.81 H new ATOM 0 HG2 GLU A 87 -9.064 22.185 15.356 1.00 1.91 H new ATOM 0 HG3 GLU A 87 -7.408 22.755 15.276 1.00 1.91 H new ATOM 1324 N VAL A 88 -9.693 21.189 19.036 1.00 1.83 N ATOM 1325 CA VAL A 88 -11.043 21.062 19.662 1.00 1.91 C ATOM 1326 C VAL A 88 -10.927 21.126 21.199 1.00 2.02 C ATOM 1327 O VAL A 88 -11.921 21.216 21.895 1.00 2.22 O ATOM 1328 CB VAL A 88 -11.564 19.693 19.195 1.00 1.91 C ATOM 1329 CG1 VAL A 88 -10.835 18.564 19.937 1.00 1.87 C ATOM 1330 CG2 VAL A 88 -13.066 19.594 19.476 1.00 2.32 C ATOM 0 H VAL A 88 -9.107 20.358 19.118 1.00 1.83 H new ATOM 0 HA VAL A 88 -11.718 21.868 19.374 1.00 1.91 H new ATOM 0 HB VAL A 88 -11.380 19.593 18.125 1.00 1.91 H new ATOM 0 HG11 VAL A 88 -11.214 17.601 19.596 1.00 1.87 H new ATOM 0 HG12 VAL A 88 -9.766 18.626 19.734 1.00 1.87 H new ATOM 0 HG13 VAL A 88 -11.007 18.663 21.009 1.00 1.87 H new ATOM 0 HG21 VAL A 88 -13.435 18.623 19.145 1.00 2.32 H new ATOM 0 HG22 VAL A 88 -13.244 19.704 20.546 1.00 2.32 H new ATOM 0 HG23 VAL A 88 -13.590 20.384 18.938 1.00 2.32 H new ATOM 1340 N HIS A 89 -9.716 21.077 21.730 1.00 1.99 N ATOM 1341 CA HIS A 89 -9.520 21.130 23.215 1.00 2.18 C ATOM 1342 C HIS A 89 -10.190 19.920 23.889 1.00 2.30 C ATOM 1343 O HIS A 89 -10.946 20.058 24.835 1.00 2.56 O ATOM 1344 CB HIS A 89 -10.152 22.456 23.661 1.00 2.40 C ATOM 1345 CG HIS A 89 -9.299 23.077 24.735 1.00 3.07 C ATOM 1346 ND1 HIS A 89 -9.280 22.593 26.032 1.00 3.93 N ATOM 1347 CD2 HIS A 89 -8.423 24.134 24.717 1.00 3.27 C ATOM 1348 CE1 HIS A 89 -8.418 23.349 26.738 1.00 4.52 C ATOM 1349 NE2 HIS A 89 -7.867 24.304 25.982 1.00 4.11 N ATOM 0 H HIS A 89 -8.855 21.002 21.189 1.00 1.99 H new ATOM 0 HA HIS A 89 -8.468 21.085 23.497 1.00 2.18 H new ATOM 0 HB2 HIS A 89 -10.239 23.134 22.812 1.00 2.40 H new ATOM 0 HB3 HIS A 89 -11.161 22.283 24.036 1.00 2.40 H new ATOM 0 HD2 HIS A 89 -8.199 24.742 23.853 1.00 3.27 H new ATOM 0 HE1 HIS A 89 -8.199 23.202 27.785 1.00 4.52 H new ATOM 0 HE2 HIS A 89 -7.186 25.006 26.270 1.00 4.11 H new ATOM 1357 N GLY A 90 -9.900 18.734 23.411 1.00 2.20 N ATOM 1358 CA GLY A 90 -10.500 17.501 24.010 1.00 2.42 C ATOM 1359 C GLY A 90 -9.831 16.258 23.416 1.00 2.39 C ATOM 1360 O GLY A 90 -9.986 16.036 22.225 1.00 2.72 O ATOM 1361 OXT GLY A 90 -9.178 15.547 24.162 1.00 2.53 O ATOM 0 H GLY A 90 -9.270 18.567 22.627 1.00 2.20 H new ATOM 0 HA2 GLY A 90 -10.372 17.512 25.092 1.00 2.42 H new ATOM 0 HA3 GLY A 90 -11.572 17.476 23.816 1.00 2.42 H new TER 1365 GLY A 90