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 82 THR OG1 : rot 180:sc= 0.327 USER MOD Set 1.2: A 84 ASN : amide:sc= 0.33 X(o=0.66,f=0.69) USER MOD Set 2.1: A 58 THR OG1 : rot 159:sc= 0 USER MOD Set 2.2: A 66 GLN : amide:sc= 0.933 K(o=2.3,f=-19!) USER MOD Set 2.3: A 70 LYS NZ :NH3+ 177:sc= 1.41! (180deg=0.892) USER MOD Set 3.1: A 9 SER OG : rot 120:sc= 1.02 USER MOD Set 3.2: A 11 THR OG1 : rot 180:sc= 0.0951 USER MOD Set 3.3: A 12 THR OG1 : rot 123:sc= 0.828! USER MOD Single : A 1 GLY N :NH3+ -144:sc= 0.619 (180deg=-2!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 155:sc= -0.722 (180deg=-2.75!) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0373 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=-0.06) USER MOD Single : A 16 THR OG1 : rot 107:sc= -0.628! USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 180:sc= -0.245 USER MOD Single : A 37 TYR OH : rot 147:sc= 0.762 USER MOD Single : A 41 GLN : amide:sc= -0.963 K(o=-0.96,f=-7.3!) USER MOD Single : A 44 SER OG : rot -150:sc= -0.0563 USER MOD Single : A 45 GLN : amide:sc= -0.0116 K(o=-0.012,f=-12!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= -0.039 USER MOD Single : A 59 LYS NZ :NH3+ -140:sc= 1.23 (180deg=-0.327!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 104:sc= 0.989 USER MOD Single : A 73 CYS SG : rot -114:sc= -5.19! USER MOD Single : A 77 LYS NZ :NH3+ -175:sc= 0.358 (180deg=0.35) USER MOD Single : A 79 LYS NZ :NH3+ 176:sc= 1.44 (180deg=1.25) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HE2:sc= 1.23 K(o=1.2,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.327 -22.161 -13.065 1.00 2.60 N ATOM 2 CA GLY A 1 5.566 -21.388 -14.323 1.00 3.09 C ATOM 3 C GLY A 1 6.439 -20.168 -14.010 1.00 3.40 C ATOM 4 O GLY A 1 5.944 -19.135 -13.608 1.00 3.67 O ATOM 0 H1 GLY A 1 5.311 -23.178 -13.280 1.00 2.60 H new ATOM 0 H2 GLY A 1 6.089 -21.963 -12.386 1.00 2.60 H new ATOM 0 H3 GLY A 1 4.415 -21.880 -12.653 1.00 2.60 H new ATOM 0 HA2 GLY A 1 6.056 -22.020 -15.064 1.00 3.09 H new ATOM 0 HA3 GLY A 1 4.617 -21.069 -14.754 1.00 3.09 H new ATOM 10 N SER A 2 7.738 -20.293 -14.172 1.00 3.53 N ATOM 11 CA SER A 2 8.674 -19.154 -13.861 1.00 4.03 C ATOM 12 C SER A 2 8.519 -18.709 -12.401 1.00 3.73 C ATOM 13 O SER A 2 8.455 -17.532 -12.098 1.00 4.07 O ATOM 14 CB SER A 2 8.298 -18.019 -14.818 1.00 4.72 C ATOM 15 OG SER A 2 9.355 -17.829 -15.752 1.00 5.38 O ATOM 0 H SER A 2 8.195 -21.140 -14.509 1.00 3.53 H new ATOM 0 HA SER A 2 9.715 -19.450 -13.990 1.00 4.03 H new ATOM 0 HB2 SER A 2 7.372 -18.259 -15.341 1.00 4.72 H new ATOM 0 HB3 SER A 2 8.119 -17.100 -14.260 1.00 4.72 H new ATOM 0 HG SER A 2 9.120 -17.105 -16.369 1.00 5.38 H new ATOM 21 N MET A 3 8.458 -19.646 -11.491 1.00 3.17 N ATOM 22 CA MET A 3 8.303 -19.288 -10.049 1.00 2.91 C ATOM 23 C MET A 3 9.660 -19.306 -9.334 1.00 3.17 C ATOM 24 O MET A 3 10.640 -19.804 -9.850 1.00 3.50 O ATOM 25 CB MET A 3 7.384 -20.370 -9.478 1.00 2.37 C ATOM 26 CG MET A 3 5.961 -20.167 -10.004 1.00 2.34 C ATOM 27 SD MET A 3 4.816 -20.067 -8.609 1.00 2.38 S ATOM 28 CE MET A 3 3.429 -19.356 -9.520 1.00 2.77 C ATOM 0 H MET A 3 8.509 -20.646 -11.684 1.00 3.17 H new ATOM 0 HA MET A 3 7.897 -18.285 -9.917 1.00 2.91 H new ATOM 0 HB2 MET A 3 7.749 -21.357 -9.760 1.00 2.37 H new ATOM 0 HB3 MET A 3 7.389 -20.328 -8.389 1.00 2.37 H new ATOM 0 HG2 MET A 3 5.908 -19.255 -10.599 1.00 2.34 H new ATOM 0 HG3 MET A 3 5.682 -20.992 -10.659 1.00 2.34 H new ATOM 0 HE1 MET A 3 2.496 -19.604 -9.014 1.00 2.77 H new ATOM 0 HE2 MET A 3 3.541 -18.273 -9.565 1.00 2.77 H new ATOM 0 HE3 MET A 3 3.412 -19.762 -10.532 1.00 2.77 H new ATOM 38 N SER A 4 9.720 -18.774 -8.143 1.00 3.16 N ATOM 39 CA SER A 4 11.011 -18.773 -7.385 1.00 3.56 C ATOM 40 C SER A 4 11.225 -20.130 -6.704 1.00 3.46 C ATOM 41 O SER A 4 12.340 -20.581 -6.535 1.00 3.87 O ATOM 42 CB SER A 4 10.871 -17.657 -6.350 1.00 3.61 C ATOM 43 OG SER A 4 9.639 -17.816 -5.654 1.00 3.13 O ATOM 0 H SER A 4 8.934 -18.340 -7.660 1.00 3.16 H new ATOM 0 HA SER A 4 11.871 -18.609 -8.034 1.00 3.56 H new ATOM 0 HB2 SER A 4 11.705 -17.688 -5.649 1.00 3.61 H new ATOM 0 HB3 SER A 4 10.903 -16.684 -6.840 1.00 3.61 H new ATOM 0 HG SER A 4 9.545 -17.103 -4.988 1.00 3.13 H new ATOM 49 N ILE A 5 10.159 -20.784 -6.330 1.00 3.02 N ATOM 50 CA ILE A 5 10.272 -22.122 -5.679 1.00 3.04 C ATOM 51 C ILE A 5 10.094 -23.231 -6.735 1.00 2.84 C ATOM 52 O ILE A 5 10.319 -23.017 -7.911 1.00 2.83 O ATOM 53 CB ILE A 5 9.154 -22.173 -4.610 1.00 2.80 C ATOM 54 CG1 ILE A 5 7.817 -21.617 -5.137 1.00 2.30 C ATOM 55 CG2 ILE A 5 9.578 -21.347 -3.397 1.00 3.16 C ATOM 56 CD1 ILE A 5 7.321 -22.446 -6.324 1.00 2.01 C ATOM 0 H ILE A 5 9.204 -20.445 -6.449 1.00 3.02 H new ATOM 0 HA ILE A 5 11.248 -22.276 -5.219 1.00 3.04 H new ATOM 0 HB ILE A 5 9.006 -23.219 -4.343 1.00 2.80 H new ATOM 0 HG12 ILE A 5 7.072 -21.629 -4.341 1.00 2.30 H new ATOM 0 HG13 ILE A 5 7.943 -20.577 -5.439 1.00 2.30 H new ATOM 0 HG21 ILE A 5 8.793 -21.380 -2.642 1.00 3.16 H new ATOM 0 HG22 ILE A 5 10.499 -21.757 -2.982 1.00 3.16 H new ATOM 0 HG23 ILE A 5 9.745 -20.314 -3.701 1.00 3.16 H new ATOM 0 HD11 ILE A 5 6.376 -22.039 -6.683 1.00 2.01 H new ATOM 0 HD12 ILE A 5 8.059 -22.411 -7.126 1.00 2.01 H new ATOM 0 HD13 ILE A 5 7.175 -23.480 -6.010 1.00 2.01 H new ATOM 68 N MET A 6 9.695 -24.413 -6.332 1.00 2.77 N ATOM 69 CA MET A 6 9.501 -25.526 -7.320 1.00 2.63 C ATOM 70 C MET A 6 8.449 -25.139 -8.371 1.00 2.24 C ATOM 71 O MET A 6 7.273 -25.013 -8.071 1.00 1.96 O ATOM 72 CB MET A 6 9.014 -26.712 -6.486 1.00 2.68 C ATOM 73 CG MET A 6 10.187 -27.641 -6.169 1.00 3.18 C ATOM 74 SD MET A 6 10.175 -28.019 -4.397 1.00 3.59 S ATOM 75 CE MET A 6 10.192 -29.822 -4.547 1.00 3.82 C ATOM 0 H MET A 6 9.495 -24.657 -5.362 1.00 2.77 H new ATOM 0 HA MET A 6 10.417 -25.755 -7.865 1.00 2.63 H new ATOM 0 HB2 MET A 6 8.561 -26.356 -5.561 1.00 2.68 H new ATOM 0 HB3 MET A 6 8.243 -27.258 -7.029 1.00 2.68 H new ATOM 0 HG2 MET A 6 10.108 -28.559 -6.751 1.00 3.18 H new ATOM 0 HG3 MET A 6 11.129 -27.167 -6.447 1.00 3.18 H new ATOM 0 HE1 MET A 6 10.187 -30.270 -3.553 1.00 3.82 H new ATOM 0 HE2 MET A 6 9.310 -30.150 -5.097 1.00 3.82 H new ATOM 0 HE3 MET A 6 11.089 -30.134 -5.081 1.00 3.82 H new ATOM 85 N ASP A 7 8.867 -24.953 -9.600 1.00 2.31 N ATOM 86 CA ASP A 7 7.901 -24.574 -10.681 1.00 2.08 C ATOM 87 C ASP A 7 6.891 -25.710 -10.940 1.00 1.83 C ATOM 88 O ASP A 7 5.814 -25.479 -11.462 1.00 1.70 O ATOM 89 CB ASP A 7 8.772 -24.287 -11.920 1.00 2.39 C ATOM 90 CG ASP A 7 8.199 -23.093 -12.689 1.00 2.40 C ATOM 91 OD1 ASP A 7 7.716 -22.173 -12.048 1.00 2.41 O ATOM 92 OD2 ASP A 7 8.237 -23.116 -13.907 1.00 2.58 O ATOM 0 H ASP A 7 9.837 -25.047 -9.902 1.00 2.31 H new ATOM 0 HA ASP A 7 7.301 -23.705 -10.410 1.00 2.08 H new ATOM 0 HB2 ASP A 7 9.797 -24.077 -11.615 1.00 2.39 H new ATOM 0 HB3 ASP A 7 8.805 -25.165 -12.565 1.00 2.39 H new ATOM 97 N HIS A 8 7.213 -26.926 -10.551 1.00 1.89 N ATOM 98 CA HIS A 8 6.249 -28.063 -10.753 1.00 1.80 C ATOM 99 C HIS A 8 5.293 -28.185 -9.547 1.00 1.73 C ATOM 100 O HIS A 8 4.778 -29.249 -9.262 1.00 1.99 O ATOM 101 CB HIS A 8 7.119 -29.324 -10.872 1.00 2.02 C ATOM 102 CG HIS A 8 7.102 -29.824 -12.291 1.00 2.13 C ATOM 103 ND1 HIS A 8 7.409 -29.010 -13.368 1.00 2.72 N ATOM 104 CD2 HIS A 8 6.826 -31.057 -12.822 1.00 2.28 C ATOM 105 CE1 HIS A 8 7.313 -29.757 -14.484 1.00 3.03 C ATOM 106 NE2 HIS A 8 6.961 -31.012 -14.208 1.00 2.71 N ATOM 0 H HIS A 8 8.095 -27.179 -10.106 1.00 1.89 H new ATOM 0 HA HIS A 8 5.629 -27.911 -11.637 1.00 1.80 H new ATOM 0 HB2 HIS A 8 8.142 -29.101 -10.568 1.00 2.02 H new ATOM 0 HB3 HIS A 8 6.748 -30.098 -10.200 1.00 2.02 H new ATOM 0 HD2 HIS A 8 6.546 -31.931 -12.252 1.00 2.28 H new ATOM 0 HE1 HIS A 8 7.499 -29.385 -15.481 1.00 3.03 H new ATOM 0 HE2 HIS A 8 6.821 -31.776 -14.869 1.00 2.71 H new ATOM 114 N SER A 9 5.060 -27.109 -8.831 1.00 1.54 N ATOM 115 CA SER A 9 4.152 -27.168 -7.649 1.00 1.54 C ATOM 116 C SER A 9 3.002 -26.158 -7.793 1.00 1.37 C ATOM 117 O SER A 9 3.198 -24.973 -7.597 1.00 1.29 O ATOM 118 CB SER A 9 5.043 -26.799 -6.458 1.00 1.71 C ATOM 119 OG SER A 9 4.641 -27.545 -5.311 1.00 1.86 O ATOM 0 H SER A 9 5.463 -26.191 -9.019 1.00 1.54 H new ATOM 0 HA SER A 9 3.690 -28.148 -7.535 1.00 1.54 H new ATOM 0 HB2 SER A 9 6.087 -27.008 -6.693 1.00 1.71 H new ATOM 0 HB3 SER A 9 4.970 -25.731 -6.254 1.00 1.71 H new ATOM 0 HG SER A 9 5.390 -28.096 -5.000 1.00 1.86 H new ATOM 125 N PRO A 10 1.829 -26.655 -8.119 1.00 1.40 N ATOM 126 CA PRO A 10 0.642 -25.767 -8.275 1.00 1.34 C ATOM 127 C PRO A 10 0.227 -25.162 -6.927 1.00 1.29 C ATOM 128 O PRO A 10 0.000 -23.971 -6.816 1.00 1.24 O ATOM 129 CB PRO A 10 -0.433 -26.700 -8.835 1.00 1.52 C ATOM 130 CG PRO A 10 -0.011 -28.070 -8.407 1.00 1.64 C ATOM 131 CD PRO A 10 1.495 -28.065 -8.369 1.00 1.58 C ATOM 0 HA PRO A 10 0.828 -24.912 -8.925 1.00 1.34 H new ATOM 0 HB2 PRO A 10 -1.418 -26.449 -8.442 1.00 1.52 H new ATOM 0 HB3 PRO A 10 -0.494 -26.626 -9.921 1.00 1.52 H new ATOM 0 HG2 PRO A 10 -0.422 -28.314 -7.427 1.00 1.64 H new ATOM 0 HG3 PRO A 10 -0.378 -28.824 -9.103 1.00 1.64 H new ATOM 0 HD2 PRO A 10 1.878 -28.714 -7.581 1.00 1.58 H new ATOM 0 HD3 PRO A 10 1.921 -28.418 -9.308 1.00 1.58 H new ATOM 139 N THR A 11 0.149 -25.968 -5.905 1.00 1.36 N ATOM 140 CA THR A 11 -0.231 -25.453 -4.553 1.00 1.38 C ATOM 141 C THR A 11 0.891 -24.565 -4.003 1.00 1.28 C ATOM 142 O THR A 11 0.699 -23.387 -3.770 1.00 1.21 O ATOM 143 CB THR A 11 -0.418 -26.703 -3.682 1.00 1.54 C ATOM 144 OG1 THR A 11 0.573 -27.667 -4.012 1.00 1.59 O ATOM 145 CG2 THR A 11 -1.803 -27.301 -3.927 1.00 1.71 C ATOM 0 H THR A 11 0.333 -26.970 -5.946 1.00 1.36 H new ATOM 0 HA THR A 11 -1.136 -24.846 -4.576 1.00 1.38 H new ATOM 0 HB THR A 11 -0.323 -26.424 -2.633 1.00 1.54 H new ATOM 0 HG1 THR A 11 0.453 -28.464 -3.454 1.00 1.59 H new ATOM 0 HG21 THR A 11 -1.931 -28.188 -3.307 1.00 1.71 H new ATOM 0 HG22 THR A 11 -2.567 -26.566 -3.672 1.00 1.71 H new ATOM 0 HG23 THR A 11 -1.900 -27.576 -4.977 1.00 1.71 H new ATOM 153 N THR A 12 2.064 -25.118 -3.810 1.00 1.29 N ATOM 154 CA THR A 12 3.214 -24.308 -3.287 1.00 1.25 C ATOM 155 C THR A 12 3.436 -23.071 -4.162 1.00 1.13 C ATOM 156 O THR A 12 3.763 -22.000 -3.674 1.00 1.08 O ATOM 157 CB THR A 12 4.437 -25.232 -3.348 1.00 1.37 C ATOM 158 OG1 THR A 12 4.022 -26.588 -3.263 1.00 1.50 O ATOM 159 CG2 THR A 12 5.365 -24.917 -2.181 1.00 1.44 C ATOM 0 H THR A 12 2.277 -26.099 -3.992 1.00 1.29 H new ATOM 0 HA THR A 12 3.028 -23.955 -2.273 1.00 1.25 H new ATOM 0 HB THR A 12 4.960 -25.074 -4.291 1.00 1.37 H new ATOM 0 HG1 THR A 12 4.348 -27.080 -4.046 1.00 1.50 H new ATOM 0 HG21 THR A 12 6.235 -25.572 -2.221 1.00 1.44 H new ATOM 0 HG22 THR A 12 5.689 -23.878 -2.244 1.00 1.44 H new ATOM 0 HG23 THR A 12 4.835 -25.075 -1.242 1.00 1.44 H new ATOM 167 N GLY A 13 3.251 -23.209 -5.447 1.00 1.12 N ATOM 168 CA GLY A 13 3.432 -22.047 -6.369 1.00 1.06 C ATOM 169 C GLY A 13 2.362 -21.000 -6.072 1.00 0.99 C ATOM 170 O GLY A 13 2.667 -19.876 -5.718 1.00 0.94 O ATOM 0 H GLY A 13 2.981 -24.081 -5.902 1.00 1.12 H new ATOM 0 HA2 GLY A 13 4.425 -21.616 -6.240 1.00 1.06 H new ATOM 0 HA3 GLY A 13 3.359 -22.375 -7.406 1.00 1.06 H new ATOM 174 N VAL A 14 1.107 -21.365 -6.188 1.00 1.04 N ATOM 175 CA VAL A 14 0.008 -20.390 -5.886 1.00 1.06 C ATOM 176 C VAL A 14 0.206 -19.822 -4.474 1.00 1.00 C ATOM 177 O VAL A 14 0.044 -18.636 -4.245 1.00 0.98 O ATOM 178 CB VAL A 14 -1.292 -21.203 -5.983 1.00 1.20 C ATOM 179 CG1 VAL A 14 -2.452 -20.424 -5.350 1.00 1.31 C ATOM 180 CG2 VAL A 14 -1.615 -21.471 -7.454 1.00 1.31 C ATOM 0 H VAL A 14 0.796 -22.292 -6.478 1.00 1.04 H new ATOM 0 HA VAL A 14 -0.008 -19.543 -6.572 1.00 1.06 H new ATOM 0 HB VAL A 14 -1.159 -22.145 -5.452 1.00 1.20 H new ATOM 0 HG11 VAL A 14 -3.368 -21.010 -5.425 1.00 1.31 H new ATOM 0 HG12 VAL A 14 -2.230 -20.230 -4.301 1.00 1.31 H new ATOM 0 HG13 VAL A 14 -2.583 -19.477 -5.874 1.00 1.31 H new ATOM 0 HG21 VAL A 14 -2.537 -22.048 -7.525 1.00 1.31 H new ATOM 0 HG22 VAL A 14 -1.739 -20.523 -7.978 1.00 1.31 H new ATOM 0 HG23 VAL A 14 -0.800 -22.033 -7.909 1.00 1.31 H new ATOM 190 N VAL A 15 0.586 -20.657 -3.536 1.00 1.03 N ATOM 191 CA VAL A 15 0.826 -20.163 -2.143 1.00 1.03 C ATOM 192 C VAL A 15 1.977 -19.155 -2.159 1.00 0.93 C ATOM 193 O VAL A 15 1.892 -18.084 -1.584 1.00 0.91 O ATOM 194 CB VAL A 15 1.194 -21.410 -1.324 1.00 1.15 C ATOM 195 CG1 VAL A 15 1.867 -20.995 -0.012 1.00 1.25 C ATOM 196 CG2 VAL A 15 -0.075 -22.202 -1.004 1.00 1.30 C ATOM 0 H VAL A 15 0.740 -21.656 -3.674 1.00 1.03 H new ATOM 0 HA VAL A 15 -0.042 -19.659 -1.717 1.00 1.03 H new ATOM 0 HB VAL A 15 1.881 -22.026 -1.905 1.00 1.15 H new ATOM 0 HG11 VAL A 15 2.124 -21.885 0.562 1.00 1.25 H new ATOM 0 HG12 VAL A 15 2.773 -20.430 -0.231 1.00 1.25 H new ATOM 0 HG13 VAL A 15 1.183 -20.375 0.567 1.00 1.25 H new ATOM 0 HG21 VAL A 15 0.185 -23.087 -0.423 1.00 1.30 H new ATOM 0 HG22 VAL A 15 -0.758 -21.578 -0.428 1.00 1.30 H new ATOM 0 HG23 VAL A 15 -0.558 -22.507 -1.933 1.00 1.30 H new ATOM 206 N THR A 16 3.038 -19.492 -2.840 1.00 0.92 N ATOM 207 CA THR A 16 4.209 -18.564 -2.938 1.00 0.90 C ATOM 208 C THR A 16 3.755 -17.220 -3.509 1.00 0.81 C ATOM 209 O THR A 16 4.075 -16.169 -2.981 1.00 0.80 O ATOM 210 CB THR A 16 5.203 -19.251 -3.882 1.00 0.96 C ATOM 211 OG1 THR A 16 5.644 -20.468 -3.296 1.00 1.10 O ATOM 212 CG2 THR A 16 6.409 -18.343 -4.117 1.00 1.04 C ATOM 0 H THR A 16 3.148 -20.376 -3.337 1.00 0.92 H new ATOM 0 HA THR A 16 4.662 -18.365 -1.967 1.00 0.90 H new ATOM 0 HB THR A 16 4.712 -19.453 -4.834 1.00 0.96 H new ATOM 0 HG1 THR A 16 5.239 -21.225 -3.769 1.00 1.10 H new ATOM 0 HG21 THR A 16 7.111 -18.837 -4.788 1.00 1.04 H new ATOM 0 HG22 THR A 16 6.077 -17.406 -4.564 1.00 1.04 H new ATOM 0 HG23 THR A 16 6.900 -18.137 -3.166 1.00 1.04 H new ATOM 220 N VAL A 17 2.986 -17.249 -4.566 1.00 0.81 N ATOM 221 CA VAL A 17 2.484 -15.963 -5.156 1.00 0.81 C ATOM 222 C VAL A 17 1.554 -15.283 -4.157 1.00 0.78 C ATOM 223 O VAL A 17 1.600 -14.094 -3.991 1.00 0.77 O ATOM 224 CB VAL A 17 1.696 -16.300 -6.422 1.00 0.90 C ATOM 225 CG1 VAL A 17 1.599 -15.051 -7.300 1.00 0.99 C ATOM 226 CG2 VAL A 17 2.382 -17.414 -7.220 1.00 0.97 C ATOM 0 H VAL A 17 2.684 -18.097 -5.046 1.00 0.81 H new ATOM 0 HA VAL A 17 3.317 -15.299 -5.388 1.00 0.81 H new ATOM 0 HB VAL A 17 0.704 -16.642 -6.128 1.00 0.90 H new ATOM 0 HG11 VAL A 17 1.038 -15.285 -8.205 1.00 0.99 H new ATOM 0 HG12 VAL A 17 1.089 -14.259 -6.751 1.00 0.99 H new ATOM 0 HG13 VAL A 17 2.601 -14.718 -7.570 1.00 0.99 H new ATOM 0 HG21 VAL A 17 1.799 -17.632 -8.115 1.00 0.97 H new ATOM 0 HG22 VAL A 17 3.383 -17.092 -7.508 1.00 0.97 H new ATOM 0 HG23 VAL A 17 2.453 -18.311 -6.605 1.00 0.97 H new ATOM 236 N ILE A 18 0.711 -16.030 -3.483 1.00 0.82 N ATOM 237 CA ILE A 18 -0.205 -15.399 -2.478 1.00 0.86 C ATOM 238 C ILE A 18 0.632 -14.732 -1.392 1.00 0.82 C ATOM 239 O ILE A 18 0.337 -13.637 -0.962 1.00 0.84 O ATOM 240 CB ILE A 18 -1.060 -16.546 -1.918 1.00 0.98 C ATOM 241 CG1 ILE A 18 -2.143 -16.923 -2.938 1.00 1.07 C ATOM 242 CG2 ILE A 18 -1.727 -16.119 -0.604 1.00 1.13 C ATOM 243 CD1 ILE A 18 -3.101 -15.744 -3.148 1.00 1.24 C ATOM 0 H ILE A 18 0.617 -17.041 -3.584 1.00 0.82 H new ATOM 0 HA ILE A 18 -0.843 -14.627 -2.908 1.00 0.86 H new ATOM 0 HB ILE A 18 -0.416 -17.405 -1.728 1.00 0.98 H new ATOM 0 HG12 ILE A 18 -1.681 -17.200 -3.886 1.00 1.07 H new ATOM 0 HG13 ILE A 18 -2.697 -17.794 -2.587 1.00 1.07 H new ATOM 0 HG21 ILE A 18 -2.330 -16.941 -0.218 1.00 1.13 H new ATOM 0 HG22 ILE A 18 -0.960 -15.858 0.125 1.00 1.13 H new ATOM 0 HG23 ILE A 18 -2.366 -15.254 -0.784 1.00 1.13 H new ATOM 0 HD11 ILE A 18 -3.866 -16.021 -3.873 1.00 1.24 H new ATOM 0 HD12 ILE A 18 -3.575 -15.487 -2.201 1.00 1.24 H new ATOM 0 HD13 ILE A 18 -2.544 -14.884 -3.519 1.00 1.24 H new ATOM 255 N VAL A 19 1.694 -15.361 -0.981 1.00 0.80 N ATOM 256 CA VAL A 19 2.578 -14.729 0.043 1.00 0.82 C ATOM 257 C VAL A 19 3.209 -13.477 -0.577 1.00 0.77 C ATOM 258 O VAL A 19 3.222 -12.417 0.020 1.00 0.79 O ATOM 259 CB VAL A 19 3.639 -15.787 0.381 1.00 0.89 C ATOM 260 CG1 VAL A 19 4.761 -15.153 1.205 1.00 0.99 C ATOM 261 CG2 VAL A 19 2.998 -16.915 1.193 1.00 1.01 C ATOM 0 H VAL A 19 1.991 -16.281 -1.306 1.00 0.80 H new ATOM 0 HA VAL A 19 2.049 -14.423 0.945 1.00 0.82 H new ATOM 0 HB VAL A 19 4.050 -16.187 -0.546 1.00 0.89 H new ATOM 0 HG11 VAL A 19 5.510 -15.909 1.441 1.00 0.99 H new ATOM 0 HG12 VAL A 19 5.224 -14.350 0.632 1.00 0.99 H new ATOM 0 HG13 VAL A 19 4.349 -14.748 2.130 1.00 0.99 H new ATOM 0 HG21 VAL A 19 3.752 -17.665 1.432 1.00 1.01 H new ATOM 0 HG22 VAL A 19 2.584 -16.509 2.116 1.00 1.01 H new ATOM 0 HG23 VAL A 19 2.201 -17.375 0.610 1.00 1.01 H new ATOM 271 N ILE A 20 3.700 -13.590 -1.792 1.00 0.76 N ATOM 272 CA ILE A 20 4.295 -12.400 -2.477 1.00 0.77 C ATOM 273 C ILE A 20 3.217 -11.327 -2.632 1.00 0.75 C ATOM 274 O ILE A 20 3.411 -10.182 -2.271 1.00 0.78 O ATOM 275 CB ILE A 20 4.770 -12.909 -3.845 1.00 0.82 C ATOM 276 CG1 ILE A 20 5.969 -13.842 -3.657 1.00 0.91 C ATOM 277 CG2 ILE A 20 5.185 -11.727 -4.723 1.00 0.92 C ATOM 278 CD1 ILE A 20 6.245 -14.594 -4.960 1.00 1.01 C ATOM 0 H ILE A 20 3.713 -14.453 -2.335 1.00 0.76 H new ATOM 0 HA ILE A 20 5.121 -11.957 -1.920 1.00 0.77 H new ATOM 0 HB ILE A 20 3.955 -13.450 -4.326 1.00 0.82 H new ATOM 0 HG12 ILE A 20 6.847 -13.267 -3.364 1.00 0.91 H new ATOM 0 HG13 ILE A 20 5.769 -14.550 -2.853 1.00 0.91 H new ATOM 0 HG21 ILE A 20 5.521 -12.094 -5.693 1.00 0.92 H new ATOM 0 HG22 ILE A 20 4.334 -11.061 -4.863 1.00 0.92 H new ATOM 0 HG23 ILE A 20 5.996 -11.182 -4.240 1.00 0.92 H new ATOM 0 HD11 ILE A 20 7.099 -15.257 -4.823 1.00 1.01 H new ATOM 0 HD12 ILE A 20 5.369 -15.182 -5.233 1.00 1.01 H new ATOM 0 HD13 ILE A 20 6.464 -13.879 -5.753 1.00 1.01 H new ATOM 290 N LEU A 21 2.073 -11.704 -3.139 1.00 0.75 N ATOM 291 CA LEU A 21 0.954 -10.726 -3.293 1.00 0.79 C ATOM 292 C LEU A 21 0.623 -10.128 -1.923 1.00 0.81 C ATOM 293 O LEU A 21 0.543 -8.919 -1.768 1.00 0.84 O ATOM 294 CB LEU A 21 -0.225 -11.541 -3.835 1.00 0.85 C ATOM 295 CG LEU A 21 -0.136 -11.618 -5.360 1.00 0.93 C ATOM 296 CD1 LEU A 21 -0.961 -12.806 -5.859 1.00 1.08 C ATOM 297 CD2 LEU A 21 -0.688 -10.327 -5.966 1.00 1.14 C ATOM 0 H LEU A 21 1.864 -12.651 -3.455 1.00 0.75 H new ATOM 0 HA LEU A 21 1.199 -9.901 -3.961 1.00 0.79 H new ATOM 0 HB2 LEU A 21 -0.214 -12.544 -3.409 1.00 0.85 H new ATOM 0 HB3 LEU A 21 -1.167 -11.079 -3.538 1.00 0.85 H new ATOM 0 HG LEU A 21 0.905 -11.746 -5.658 1.00 0.93 H new ATOM 0 HD11 LEU A 21 -0.898 -12.862 -6.946 1.00 1.08 H new ATOM 0 HD12 LEU A 21 -0.572 -13.727 -5.425 1.00 1.08 H new ATOM 0 HD13 LEU A 21 -2.002 -12.677 -5.562 1.00 1.08 H new ATOM 0 HD21 LEU A 21 -0.626 -10.380 -7.053 1.00 1.14 H new ATOM 0 HD22 LEU A 21 -1.729 -10.201 -5.668 1.00 1.14 H new ATOM 0 HD23 LEU A 21 -0.103 -9.479 -5.610 1.00 1.14 H new ATOM 309 N ILE A 22 0.464 -10.963 -0.918 1.00 0.82 N ATOM 310 CA ILE A 22 0.175 -10.433 0.453 1.00 0.88 C ATOM 311 C ILE A 22 1.291 -9.465 0.865 1.00 0.88 C ATOM 312 O ILE A 22 1.036 -8.392 1.382 1.00 0.93 O ATOM 313 CB ILE A 22 0.133 -11.667 1.372 1.00 0.93 C ATOM 314 CG1 ILE A 22 -1.257 -12.303 1.298 1.00 1.07 C ATOM 315 CG2 ILE A 22 0.420 -11.267 2.826 1.00 1.12 C ATOM 316 CD1 ILE A 22 -1.231 -13.677 1.972 1.00 1.17 C ATOM 0 H ILE A 22 0.522 -11.979 -0.989 1.00 0.82 H new ATOM 0 HA ILE A 22 -0.764 -9.882 0.505 1.00 0.88 H new ATOM 0 HB ILE A 22 0.893 -12.375 1.042 1.00 0.93 H new ATOM 0 HG12 ILE A 22 -1.988 -11.660 1.788 1.00 1.07 H new ATOM 0 HG13 ILE A 22 -1.567 -12.403 0.258 1.00 1.07 H new ATOM 0 HG21 ILE A 22 0.386 -12.153 3.461 1.00 1.12 H new ATOM 0 HG22 ILE A 22 1.409 -10.813 2.890 1.00 1.12 H new ATOM 0 HG23 ILE A 22 -0.331 -10.551 3.161 1.00 1.12 H new ATOM 0 HD11 ILE A 22 -2.222 -14.128 1.918 1.00 1.17 H new ATOM 0 HD12 ILE A 22 -0.512 -14.319 1.462 1.00 1.17 H new ATOM 0 HD13 ILE A 22 -0.940 -13.564 3.016 1.00 1.17 H new ATOM 328 N ALA A 23 2.521 -9.831 0.618 1.00 0.85 N ATOM 329 CA ALA A 23 3.662 -8.931 0.975 1.00 0.90 C ATOM 330 C ALA A 23 3.570 -7.632 0.166 1.00 0.89 C ATOM 331 O ALA A 23 3.697 -6.549 0.707 1.00 0.94 O ATOM 332 CB ALA A 23 4.927 -9.716 0.608 1.00 0.94 C ATOM 0 H ALA A 23 2.787 -10.715 0.184 1.00 0.85 H new ATOM 0 HA ALA A 23 3.659 -8.652 2.029 1.00 0.90 H new ATOM 0 HB1 ALA A 23 5.807 -9.118 0.842 1.00 0.94 H new ATOM 0 HB2 ALA A 23 4.957 -10.645 1.178 1.00 0.94 H new ATOM 0 HB3 ALA A 23 4.917 -9.945 -0.458 1.00 0.94 H new ATOM 338 N ILE A 24 3.323 -7.728 -1.121 1.00 0.86 N ATOM 339 CA ILE A 24 3.192 -6.492 -1.956 1.00 0.89 C ATOM 340 C ILE A 24 2.049 -5.634 -1.401 1.00 0.88 C ATOM 341 O ILE A 24 2.195 -4.440 -1.196 1.00 0.92 O ATOM 342 CB ILE A 24 2.868 -6.986 -3.374 1.00 0.90 C ATOM 343 CG1 ILE A 24 4.106 -7.652 -3.983 1.00 0.98 C ATOM 344 CG2 ILE A 24 2.452 -5.804 -4.254 1.00 0.99 C ATOM 345 CD1 ILE A 24 3.702 -8.439 -5.231 1.00 1.02 C ATOM 0 H ILE A 24 3.207 -8.606 -1.626 1.00 0.86 H new ATOM 0 HA ILE A 24 4.095 -5.882 -1.952 1.00 0.89 H new ATOM 0 HB ILE A 24 2.051 -7.706 -3.320 1.00 0.90 H new ATOM 0 HG12 ILE A 24 4.848 -6.897 -4.241 1.00 0.98 H new ATOM 0 HG13 ILE A 24 4.569 -8.318 -3.255 1.00 0.98 H new ATOM 0 HG21 ILE A 24 2.224 -6.161 -5.258 1.00 0.99 H new ATOM 0 HG22 ILE A 24 1.569 -5.327 -3.829 1.00 0.99 H new ATOM 0 HG23 ILE A 24 3.267 -5.082 -4.302 1.00 0.99 H new ATOM 0 HD11 ILE A 24 4.583 -8.912 -5.664 1.00 1.02 H new ATOM 0 HD12 ILE A 24 2.975 -9.205 -4.959 1.00 1.02 H new ATOM 0 HD13 ILE A 24 3.259 -7.761 -5.961 1.00 1.02 H new ATOM 357 N ALA A 25 0.918 -6.245 -1.132 1.00 0.87 N ATOM 358 CA ALA A 25 -0.236 -5.485 -0.566 1.00 0.90 C ATOM 359 C ALA A 25 0.144 -4.902 0.796 1.00 0.92 C ATOM 360 O ALA A 25 -0.108 -3.742 1.081 1.00 0.95 O ATOM 361 CB ALA A 25 -1.361 -6.514 -0.429 1.00 0.93 C ATOM 0 H ALA A 25 0.747 -7.239 -1.282 1.00 0.87 H new ATOM 0 HA ALA A 25 -0.536 -4.647 -1.195 1.00 0.90 H new ATOM 0 HB1 ALA A 25 -2.248 -6.031 -0.018 1.00 0.93 H new ATOM 0 HB2 ALA A 25 -1.596 -6.929 -1.409 1.00 0.93 H new ATOM 0 HB3 ALA A 25 -1.042 -7.315 0.238 1.00 0.93 H new ATOM 367 N ALA A 26 0.773 -5.690 1.629 1.00 0.95 N ATOM 368 CA ALA A 26 1.200 -5.182 2.968 1.00 1.01 C ATOM 369 C ALA A 26 2.177 -4.018 2.778 1.00 1.03 C ATOM 370 O ALA A 26 2.057 -2.988 3.413 1.00 1.08 O ATOM 371 CB ALA A 26 1.882 -6.369 3.654 1.00 1.06 C ATOM 0 H ALA A 26 1.010 -6.664 1.440 1.00 0.95 H new ATOM 0 HA ALA A 26 0.367 -4.811 3.565 1.00 1.01 H new ATOM 0 HB1 ALA A 26 2.223 -6.070 4.645 1.00 1.06 H new ATOM 0 HB2 ALA A 26 1.173 -7.192 3.747 1.00 1.06 H new ATOM 0 HB3 ALA A 26 2.736 -6.692 3.059 1.00 1.06 H new ATOM 377 N LEU A 27 3.124 -4.163 1.882 1.00 1.02 N ATOM 378 CA LEU A 27 4.087 -3.057 1.617 1.00 1.07 C ATOM 379 C LEU A 27 3.315 -1.842 1.081 1.00 1.03 C ATOM 380 O LEU A 27 3.508 -0.724 1.533 1.00 1.08 O ATOM 381 CB LEU A 27 5.051 -3.616 0.563 1.00 1.10 C ATOM 382 CG LEU A 27 5.871 -2.477 -0.047 1.00 1.18 C ATOM 383 CD1 LEU A 27 7.351 -2.861 -0.064 1.00 1.36 C ATOM 384 CD2 LEU A 27 5.397 -2.219 -1.480 1.00 1.20 C ATOM 0 H LEU A 27 3.269 -5.004 1.323 1.00 1.02 H new ATOM 0 HA LEU A 27 4.626 -2.730 2.506 1.00 1.07 H new ATOM 0 HB2 LEU A 27 5.715 -4.351 1.018 1.00 1.10 H new ATOM 0 HB3 LEU A 27 4.492 -4.132 -0.217 1.00 1.10 H new ATOM 0 HG LEU A 27 5.737 -1.575 0.551 1.00 1.18 H new ATOM 0 HD11 LEU A 27 7.933 -2.048 -0.499 1.00 1.36 H new ATOM 0 HD12 LEU A 27 7.691 -3.046 0.955 1.00 1.36 H new ATOM 0 HD13 LEU A 27 7.486 -3.763 -0.660 1.00 1.36 H new ATOM 0 HD21 LEU A 27 5.980 -1.408 -1.916 1.00 1.20 H new ATOM 0 HD22 LEU A 27 5.530 -3.122 -2.075 1.00 1.20 H new ATOM 0 HD23 LEU A 27 4.343 -1.943 -1.470 1.00 1.20 H new ATOM 396 N GLY A 28 2.420 -2.057 0.141 1.00 0.99 N ATOM 397 CA GLY A 28 1.612 -0.927 -0.402 1.00 0.98 C ATOM 398 C GLY A 28 0.843 -0.275 0.751 1.00 0.98 C ATOM 399 O GLY A 28 0.798 0.937 0.870 1.00 1.01 O ATOM 0 H GLY A 28 2.218 -2.969 -0.270 1.00 0.99 H new ATOM 0 HA2 GLY A 28 2.261 -0.196 -0.885 1.00 0.98 H new ATOM 0 HA3 GLY A 28 0.919 -1.289 -1.162 1.00 0.98 H new ATOM 403 N ALA A 29 0.257 -1.074 1.614 1.00 0.99 N ATOM 404 CA ALA A 29 -0.491 -0.503 2.776 1.00 1.03 C ATOM 405 C ALA A 29 0.481 0.215 3.714 1.00 1.07 C ATOM 406 O ALA A 29 0.231 1.325 4.151 1.00 1.10 O ATOM 407 CB ALA A 29 -1.142 -1.706 3.468 1.00 1.08 C ATOM 0 H ALA A 29 0.266 -2.093 1.562 1.00 0.99 H new ATOM 0 HA ALA A 29 -1.239 0.230 2.474 1.00 1.03 H new ATOM 0 HB1 ALA A 29 -1.710 -1.364 4.333 1.00 1.08 H new ATOM 0 HB2 ALA A 29 -1.811 -2.209 2.770 1.00 1.08 H new ATOM 0 HB3 ALA A 29 -0.368 -2.401 3.793 1.00 1.08 H new ATOM 413 N LEU A 30 1.596 -0.401 4.000 1.00 1.12 N ATOM 414 CA LEU A 30 2.612 0.245 4.886 1.00 1.20 C ATOM 415 C LEU A 30 3.048 1.583 4.272 1.00 1.18 C ATOM 416 O LEU A 30 3.178 2.577 4.962 1.00 1.22 O ATOM 417 CB LEU A 30 3.787 -0.740 4.940 1.00 1.26 C ATOM 418 CG LEU A 30 3.639 -1.650 6.159 1.00 1.39 C ATOM 419 CD1 LEU A 30 4.449 -2.928 5.942 1.00 1.54 C ATOM 420 CD2 LEU A 30 4.163 -0.922 7.400 1.00 1.57 C ATOM 0 H LEU A 30 1.850 -1.328 3.658 1.00 1.12 H new ATOM 0 HA LEU A 30 2.226 0.456 5.883 1.00 1.20 H new ATOM 0 HB2 LEU A 30 3.815 -1.338 4.029 1.00 1.26 H new ATOM 0 HB3 LEU A 30 4.729 -0.195 4.993 1.00 1.26 H new ATOM 0 HG LEU A 30 2.588 -1.905 6.299 1.00 1.39 H new ATOM 0 HD11 LEU A 30 4.344 -3.577 6.811 1.00 1.54 H new ATOM 0 HD12 LEU A 30 4.082 -3.445 5.056 1.00 1.54 H new ATOM 0 HD13 LEU A 30 5.500 -2.674 5.804 1.00 1.54 H new ATOM 0 HD21 LEU A 30 4.059 -1.568 8.272 1.00 1.57 H new ATOM 0 HD22 LEU A 30 5.214 -0.671 7.258 1.00 1.57 H new ATOM 0 HD23 LEU A 30 3.589 -0.008 7.555 1.00 1.57 H new ATOM 432 N ILE A 31 3.241 1.618 2.975 1.00 1.13 N ATOM 433 CA ILE A 31 3.639 2.897 2.308 1.00 1.13 C ATOM 434 C ILE A 31 2.462 3.882 2.346 1.00 1.07 C ATOM 435 O ILE A 31 2.616 5.031 2.719 1.00 1.10 O ATOM 436 CB ILE A 31 3.994 2.501 0.866 1.00 1.15 C ATOM 437 CG1 ILE A 31 5.378 1.842 0.844 1.00 1.28 C ATOM 438 CG2 ILE A 31 4.013 3.744 -0.033 1.00 1.17 C ATOM 439 CD1 ILE A 31 5.593 1.139 -0.498 1.00 1.40 C ATOM 0 H ILE A 31 3.140 0.817 2.351 1.00 1.13 H new ATOM 0 HA ILE A 31 4.479 3.390 2.798 1.00 1.13 H new ATOM 0 HB ILE A 31 3.244 1.802 0.496 1.00 1.15 H new ATOM 0 HG12 ILE A 31 6.152 2.594 1.000 1.00 1.28 H new ATOM 0 HG13 ILE A 31 5.462 1.124 1.659 1.00 1.28 H new ATOM 0 HG21 ILE A 31 4.266 3.452 -1.052 1.00 1.17 H new ATOM 0 HG22 ILE A 31 3.030 4.215 -0.023 1.00 1.17 H new ATOM 0 HG23 ILE A 31 4.757 4.449 0.337 1.00 1.17 H new ATOM 0 HD11 ILE A 31 6.578 0.672 -0.510 1.00 1.40 H new ATOM 0 HD12 ILE A 31 4.827 0.376 -0.636 1.00 1.40 H new ATOM 0 HD13 ILE A 31 5.527 1.868 -1.305 1.00 1.40 H new ATOM 451 N LEU A 32 1.286 3.431 1.976 1.00 1.01 N ATOM 452 CA LEU A 32 0.089 4.328 2.002 1.00 0.99 C ATOM 453 C LEU A 32 -0.129 4.881 3.420 1.00 1.02 C ATOM 454 O LEU A 32 -0.290 6.072 3.610 1.00 1.03 O ATOM 455 CB LEU A 32 -1.084 3.433 1.582 1.00 0.99 C ATOM 456 CG LEU A 32 -2.226 4.296 1.042 1.00 1.46 C ATOM 457 CD1 LEU A 32 -2.642 3.790 -0.340 1.00 1.64 C ATOM 458 CD2 LEU A 32 -3.421 4.211 1.993 1.00 1.85 C ATOM 0 H LEU A 32 1.105 2.479 1.657 1.00 1.01 H new ATOM 0 HA LEU A 32 0.200 5.189 1.342 1.00 0.99 H new ATOM 0 HB2 LEU A 32 -0.759 2.725 0.819 1.00 0.99 H new ATOM 0 HB3 LEU A 32 -1.430 2.847 2.434 1.00 0.99 H new ATOM 0 HG LEU A 32 -1.892 5.331 0.965 1.00 1.46 H new ATOM 0 HD11 LEU A 32 -3.456 4.406 -0.723 1.00 1.64 H new ATOM 0 HD12 LEU A 32 -1.792 3.848 -1.020 1.00 1.64 H new ATOM 0 HD13 LEU A 32 -2.975 2.755 -0.263 1.00 1.64 H new ATOM 0 HD21 LEU A 32 -4.236 4.825 1.610 1.00 1.85 H new ATOM 0 HD22 LEU A 32 -3.752 3.175 2.069 1.00 1.85 H new ATOM 0 HD23 LEU A 32 -3.128 4.571 2.979 1.00 1.85 H new ATOM 470 N GLY A 33 -0.131 4.020 4.410 1.00 1.07 N ATOM 471 CA GLY A 33 -0.338 4.479 5.820 1.00 1.15 C ATOM 472 C GLY A 33 0.796 5.417 6.250 1.00 1.19 C ATOM 473 O GLY A 33 0.556 6.464 6.822 1.00 1.26 O ATOM 0 H GLY A 33 0.002 3.015 4.301 1.00 1.07 H new ATOM 0 HA2 GLY A 33 -1.295 4.993 5.905 1.00 1.15 H new ATOM 0 HA3 GLY A 33 -0.379 3.618 6.487 1.00 1.15 H new ATOM 477 N CYS A 34 2.029 5.049 5.989 1.00 1.20 N ATOM 478 CA CYS A 34 3.179 5.922 6.392 1.00 1.28 C ATOM 479 C CYS A 34 3.133 7.272 5.655 1.00 1.21 C ATOM 480 O CYS A 34 3.496 8.295 6.204 1.00 1.26 O ATOM 481 CB CYS A 34 4.439 5.142 6.003 1.00 1.34 C ATOM 482 SG CYS A 34 5.747 5.475 7.209 1.00 1.74 S ATOM 0 H CYS A 34 2.288 4.184 5.515 1.00 1.20 H new ATOM 0 HA CYS A 34 3.152 6.150 7.458 1.00 1.28 H new ATOM 0 HB2 CYS A 34 4.223 4.074 5.969 1.00 1.34 H new ATOM 0 HB3 CYS A 34 4.767 5.433 5.005 1.00 1.34 H new ATOM 0 HG CYS A 34 6.817 4.813 6.883 1.00 1.74 H new ATOM 488 N TRP A 35 2.697 7.282 4.418 1.00 1.14 N ATOM 489 CA TRP A 35 2.638 8.570 3.654 1.00 1.10 C ATOM 490 C TRP A 35 1.352 9.343 3.986 1.00 1.02 C ATOM 491 O TRP A 35 1.404 10.463 4.451 1.00 1.05 O ATOM 492 CB TRP A 35 2.664 8.165 2.177 1.00 1.10 C ATOM 493 CG TRP A 35 4.040 8.381 1.635 1.00 1.22 C ATOM 494 CD1 TRP A 35 4.833 7.413 1.119 1.00 1.39 C ATOM 495 CD2 TRP A 35 4.802 9.620 1.553 1.00 1.40 C ATOM 496 NE1 TRP A 35 6.031 7.983 0.721 1.00 1.62 N ATOM 497 CE2 TRP A 35 6.058 9.340 0.969 1.00 1.63 C ATOM 498 CE3 TRP A 35 4.523 10.948 1.924 1.00 1.52 C ATOM 499 CZ2 TRP A 35 7.007 10.343 0.760 1.00 1.93 C ATOM 500 CZ3 TRP A 35 5.476 11.959 1.717 1.00 1.84 C ATOM 501 CH2 TRP A 35 6.714 11.657 1.136 1.00 2.02 C ATOM 0 H TRP A 35 2.381 6.459 3.906 1.00 1.14 H new ATOM 0 HA TRP A 35 3.468 9.230 3.907 1.00 1.10 H new ATOM 0 HB2 TRP A 35 2.377 7.119 2.069 1.00 1.10 H new ATOM 0 HB3 TRP A 35 1.941 8.754 1.613 1.00 1.10 H new ATOM 0 HD1 TRP A 35 4.574 6.368 1.032 1.00 1.39 H new ATOM 0 HE1 TRP A 35 6.799 7.463 0.297 1.00 1.62 H new ATOM 0 HE3 TRP A 35 3.570 11.192 2.371 1.00 1.52 H new ATOM 0 HZ2 TRP A 35 7.960 10.105 0.311 1.00 1.93 H new ATOM 0 HZ3 TRP A 35 5.253 12.975 2.008 1.00 1.84 H new ATOM 0 HH2 TRP A 35 7.442 12.439 0.979 1.00 2.02 H new ATOM 512 N CYS A 36 0.205 8.745 3.750 1.00 0.98 N ATOM 513 CA CYS A 36 -1.109 9.419 4.047 1.00 0.96 C ATOM 514 C CYS A 36 -1.103 10.905 3.630 1.00 0.90 C ATOM 515 O CYS A 36 -1.551 11.762 4.368 1.00 0.93 O ATOM 516 CB CYS A 36 -1.286 9.278 5.564 1.00 1.06 C ATOM 517 SG CYS A 36 -2.759 8.284 5.910 1.00 1.39 S ATOM 0 H CYS A 36 0.120 7.807 3.359 1.00 0.98 H new ATOM 0 HA CYS A 36 -1.926 8.964 3.487 1.00 0.96 H new ATOM 0 HB2 CYS A 36 -0.406 8.807 6.001 1.00 1.06 H new ATOM 0 HB3 CYS A 36 -1.382 10.262 6.023 1.00 1.06 H new ATOM 0 HG CYS A 36 -2.908 8.162 7.196 1.00 1.39 H new ATOM 523 N TYR A 37 -0.618 11.205 2.447 1.00 0.86 N ATOM 524 CA TYR A 37 -0.594 12.631 1.961 1.00 0.81 C ATOM 525 C TYR A 37 -0.034 12.709 0.530 1.00 0.78 C ATOM 526 O TYR A 37 -0.523 13.463 -0.286 1.00 0.80 O ATOM 527 CB TYR A 37 0.310 13.399 2.937 1.00 0.83 C ATOM 528 CG TYR A 37 -0.493 14.500 3.602 1.00 0.85 C ATOM 529 CD1 TYR A 37 -1.145 15.464 2.821 1.00 0.91 C ATOM 530 CD2 TYR A 37 -0.589 14.551 4.997 1.00 1.00 C ATOM 531 CE1 TYR A 37 -1.890 16.479 3.437 1.00 1.05 C ATOM 532 CE2 TYR A 37 -1.335 15.567 5.611 1.00 1.11 C ATOM 533 CZ TYR A 37 -1.985 16.530 4.830 1.00 1.11 C ATOM 534 OH TYR A 37 -2.717 17.533 5.435 1.00 1.31 O ATOM 0 H TYR A 37 -0.235 10.523 1.792 1.00 0.86 H new ATOM 0 HA TYR A 37 -1.598 13.055 1.931 1.00 0.81 H new ATOM 0 HB2 TYR A 37 0.711 12.720 3.690 1.00 0.83 H new ATOM 0 HB3 TYR A 37 1.161 13.824 2.405 1.00 0.83 H new ATOM 0 HD1 TYR A 37 -1.073 15.425 1.744 1.00 0.91 H new ATOM 0 HD2 TYR A 37 -0.089 13.808 5.600 1.00 1.00 H new ATOM 0 HE1 TYR A 37 -2.391 17.222 2.834 1.00 1.05 H new ATOM 0 HE2 TYR A 37 -1.408 15.607 6.688 1.00 1.11 H new ATOM 0 HH TYR A 37 -3.124 17.190 6.258 1.00 1.31 H new ATOM 544 N LEU A 38 0.978 11.934 0.218 1.00 0.84 N ATOM 545 CA LEU A 38 1.550 11.954 -1.164 1.00 0.87 C ATOM 546 C LEU A 38 1.612 10.529 -1.723 1.00 0.94 C ATOM 547 O LEU A 38 1.052 10.238 -2.763 1.00 1.01 O ATOM 548 CB LEU A 38 2.954 12.552 -1.015 1.00 0.92 C ATOM 549 CG LEU A 38 3.688 12.477 -2.355 1.00 1.00 C ATOM 550 CD1 LEU A 38 3.374 13.727 -3.178 1.00 1.08 C ATOM 551 CD2 LEU A 38 5.193 12.396 -2.100 1.00 1.31 C ATOM 0 H LEU A 38 1.432 11.288 0.863 1.00 0.84 H new ATOM 0 HA LEU A 38 0.944 12.538 -1.857 1.00 0.87 H new ATOM 0 HB2 LEU A 38 2.886 13.588 -0.684 1.00 0.92 H new ATOM 0 HB3 LEU A 38 3.512 12.010 -0.252 1.00 0.92 H new ATOM 0 HG LEU A 38 3.363 11.593 -2.903 1.00 1.00 H new ATOM 0 HD11 LEU A 38 3.897 13.675 -4.133 1.00 1.08 H new ATOM 0 HD12 LEU A 38 2.300 13.786 -3.355 1.00 1.08 H new ATOM 0 HD13 LEU A 38 3.701 14.613 -2.634 1.00 1.08 H new ATOM 0 HD21 LEU A 38 5.721 12.342 -3.052 1.00 1.31 H new ATOM 0 HD22 LEU A 38 5.518 13.282 -1.554 1.00 1.31 H new ATOM 0 HD23 LEU A 38 5.415 11.506 -1.511 1.00 1.31 H new ATOM 563 N ARG A 39 2.292 9.650 -1.026 1.00 0.98 N ATOM 564 CA ARG A 39 2.416 8.223 -1.467 1.00 1.07 C ATOM 565 C ARG A 39 3.260 8.114 -2.743 1.00 1.19 C ATOM 566 O ARG A 39 2.771 8.272 -3.847 1.00 1.24 O ATOM 567 CB ARG A 39 0.985 7.755 -1.718 1.00 1.08 C ATOM 568 CG ARG A 39 0.816 6.300 -1.274 1.00 1.13 C ATOM 569 CD ARG A 39 0.547 5.422 -2.500 1.00 1.24 C ATOM 570 NE ARG A 39 -0.845 5.765 -2.925 1.00 1.22 N ATOM 571 CZ ARG A 39 -1.052 6.720 -3.779 1.00 1.22 C ATOM 572 NH1 ARG A 39 -0.779 6.534 -5.028 1.00 1.34 N ATOM 573 NH2 ARG A 39 -1.523 7.856 -3.376 1.00 1.14 N ATOM 0 H ARG A 39 2.775 9.865 -0.154 1.00 0.98 H new ATOM 0 HA ARG A 39 2.917 7.610 -0.718 1.00 1.07 H new ATOM 0 HB2 ARG A 39 0.287 8.391 -1.175 1.00 1.08 H new ATOM 0 HB3 ARG A 39 0.745 7.849 -2.777 1.00 1.08 H new ATOM 0 HG2 ARG A 39 1.714 5.959 -0.759 1.00 1.13 H new ATOM 0 HG3 ARG A 39 -0.009 6.218 -0.566 1.00 1.13 H new ATOM 0 HD2 ARG A 39 1.264 5.625 -3.296 1.00 1.24 H new ATOM 0 HD3 ARG A 39 0.635 4.364 -2.254 1.00 1.24 H new ATOM 0 HE ARG A 39 -1.635 5.246 -2.542 1.00 1.22 H new ATOM 0 HH11 ARG A 39 -0.402 5.639 -5.340 1.00 1.34 H new ATOM 0 HH12 ARG A 39 -0.940 7.282 -5.702 1.00 1.34 H new ATOM 0 HH21 ARG A 39 -1.731 8.000 -2.388 1.00 1.14 H new ATOM 0 HH22 ARG A 39 -1.686 8.607 -4.046 1.00 1.14 H new ATOM 587 N LEU A 40 4.529 7.838 -2.591 1.00 1.27 N ATOM 588 CA LEU A 40 5.436 7.701 -3.781 1.00 1.40 C ATOM 589 C LEU A 40 4.949 6.560 -4.694 1.00 1.53 C ATOM 590 O LEU A 40 5.393 5.431 -4.591 1.00 1.73 O ATOM 591 CB LEU A 40 6.816 7.377 -3.184 1.00 1.54 C ATOM 592 CG LEU A 40 7.919 8.021 -4.027 1.00 1.68 C ATOM 593 CD1 LEU A 40 8.748 8.961 -3.150 1.00 1.89 C ATOM 594 CD2 LEU A 40 8.825 6.925 -4.592 1.00 2.02 C ATOM 0 H LEU A 40 4.984 7.700 -1.689 1.00 1.27 H new ATOM 0 HA LEU A 40 5.460 8.601 -4.396 1.00 1.40 H new ATOM 0 HB2 LEU A 40 6.872 7.742 -2.158 1.00 1.54 H new ATOM 0 HB3 LEU A 40 6.960 6.297 -3.146 1.00 1.54 H new ATOM 0 HG LEU A 40 7.472 8.587 -4.844 1.00 1.68 H new ATOM 0 HD11 LEU A 40 9.534 9.420 -3.750 1.00 1.89 H new ATOM 0 HD12 LEU A 40 8.104 9.739 -2.740 1.00 1.89 H new ATOM 0 HD13 LEU A 40 9.198 8.395 -2.334 1.00 1.89 H new ATOM 0 HD21 LEU A 40 9.613 7.378 -5.194 1.00 2.02 H new ATOM 0 HD22 LEU A 40 9.272 6.364 -3.772 1.00 2.02 H new ATOM 0 HD23 LEU A 40 8.236 6.251 -5.214 1.00 2.02 H new ATOM 606 N GLN A 41 4.023 6.850 -5.574 1.00 1.50 N ATOM 607 CA GLN A 41 3.477 5.796 -6.493 1.00 1.67 C ATOM 608 C GLN A 41 4.480 5.456 -7.616 1.00 1.85 C ATOM 609 O GLN A 41 4.441 4.373 -8.185 1.00 2.04 O ATOM 610 CB GLN A 41 2.172 6.392 -7.058 1.00 1.61 C ATOM 611 CG GLN A 41 2.449 7.261 -8.299 1.00 1.67 C ATOM 612 CD GLN A 41 3.105 8.580 -7.884 1.00 1.53 C ATOM 613 OE1 GLN A 41 4.291 8.764 -8.062 1.00 1.61 O ATOM 614 NE2 GLN A 41 2.386 9.510 -7.330 1.00 1.45 N ATOM 0 H GLN A 41 3.617 7.778 -5.698 1.00 1.50 H new ATOM 0 HA GLN A 41 3.296 4.856 -5.972 1.00 1.67 H new ATOM 0 HB2 GLN A 41 1.485 5.587 -7.320 1.00 1.61 H new ATOM 0 HB3 GLN A 41 1.682 6.993 -6.292 1.00 1.61 H new ATOM 0 HG2 GLN A 41 3.099 6.725 -8.990 1.00 1.67 H new ATOM 0 HG3 GLN A 41 1.517 7.460 -8.828 1.00 1.67 H new ATOM 0 HE21 GLN A 41 1.388 9.361 -7.178 1.00 1.45 H new ATOM 0 HE22 GLN A 41 2.819 10.389 -7.047 1.00 1.45 H new ATOM 623 N ARG A 42 5.363 6.367 -7.949 1.00 1.81 N ATOM 624 CA ARG A 42 6.357 6.101 -9.035 1.00 2.01 C ATOM 625 C ARG A 42 7.610 6.987 -8.840 1.00 1.96 C ATOM 626 O ARG A 42 8.221 6.967 -7.791 1.00 1.94 O ATOM 627 CB ARG A 42 5.600 6.448 -10.320 1.00 2.08 C ATOM 628 CG ARG A 42 6.262 5.758 -11.520 1.00 2.32 C ATOM 629 CD ARG A 42 5.270 4.787 -12.168 1.00 2.43 C ATOM 630 NE ARG A 42 5.368 3.534 -11.357 1.00 2.54 N ATOM 631 CZ ARG A 42 4.315 2.808 -11.149 1.00 2.63 C ATOM 632 NH1 ARG A 42 3.864 2.043 -12.092 1.00 2.97 N ATOM 633 NH2 ARG A 42 3.718 2.851 -10.000 1.00 2.49 N ATOM 0 H ARG A 42 5.438 7.286 -7.513 1.00 1.81 H new ATOM 0 HA ARG A 42 6.723 5.075 -9.048 1.00 2.01 H new ATOM 0 HB2 ARG A 42 4.560 6.132 -10.236 1.00 2.08 H new ATOM 0 HB3 ARG A 42 5.594 7.528 -10.468 1.00 2.08 H new ATOM 0 HG2 ARG A 42 6.585 6.503 -12.247 1.00 2.32 H new ATOM 0 HG3 ARG A 42 7.154 5.221 -11.197 1.00 2.32 H new ATOM 0 HD2 ARG A 42 4.257 5.189 -12.152 1.00 2.43 H new ATOM 0 HD3 ARG A 42 5.523 4.602 -13.212 1.00 2.43 H new ATOM 0 HE ARG A 42 6.267 3.250 -10.966 1.00 2.54 H new ATOM 0 HH11 ARG A 42 4.338 2.013 -12.995 1.00 2.97 H new ATOM 0 HH12 ARG A 42 3.035 1.470 -11.932 1.00 2.97 H new ATOM 0 HH21 ARG A 42 4.077 3.456 -9.261 1.00 2.49 H new ATOM 0 HH22 ARG A 42 2.889 2.280 -9.834 1.00 2.49 H new ATOM 647 N ILE A 43 8.001 7.754 -9.835 1.00 2.02 N ATOM 648 CA ILE A 43 9.199 8.625 -9.708 1.00 2.01 C ATOM 649 C ILE A 43 8.962 9.758 -8.690 1.00 1.75 C ATOM 650 O ILE A 43 9.898 10.308 -8.143 1.00 1.75 O ATOM 651 CB ILE A 43 9.372 9.148 -11.139 1.00 2.15 C ATOM 652 CG1 ILE A 43 10.770 8.780 -11.641 1.00 2.42 C ATOM 653 CG2 ILE A 43 9.139 10.655 -11.204 1.00 1.99 C ATOM 654 CD1 ILE A 43 11.740 9.957 -11.477 1.00 2.75 C ATOM 0 H ILE A 43 7.529 7.808 -10.738 1.00 2.02 H new ATOM 0 HA ILE A 43 10.085 8.112 -9.333 1.00 2.01 H new ATOM 0 HB ILE A 43 8.628 8.682 -11.785 1.00 2.15 H new ATOM 0 HG12 ILE A 43 11.143 7.917 -11.089 1.00 2.42 H new ATOM 0 HG13 ILE A 43 10.719 8.490 -12.690 1.00 2.42 H new ATOM 0 HG21 ILE A 43 9.268 10.999 -12.230 1.00 1.99 H new ATOM 0 HG22 ILE A 43 8.126 10.881 -10.870 1.00 1.99 H new ATOM 0 HG23 ILE A 43 9.856 11.162 -10.558 1.00 1.99 H new ATOM 0 HD11 ILE A 43 12.726 9.669 -11.841 1.00 2.75 H new ATOM 0 HD12 ILE A 43 11.377 10.810 -12.049 1.00 2.75 H new ATOM 0 HD13 ILE A 43 11.807 10.229 -10.424 1.00 2.75 H new ATOM 666 N SER A 44 7.718 10.110 -8.441 1.00 1.60 N ATOM 667 CA SER A 44 7.402 11.207 -7.462 1.00 1.42 C ATOM 668 C SER A 44 7.995 12.539 -7.933 1.00 1.36 C ATOM 669 O SER A 44 9.025 12.983 -7.458 1.00 1.47 O ATOM 670 CB SER A 44 8.035 10.776 -6.137 1.00 1.47 C ATOM 671 OG SER A 44 7.132 11.034 -5.062 1.00 1.77 O ATOM 0 H SER A 44 6.902 9.681 -8.877 1.00 1.60 H new ATOM 0 HA SER A 44 6.327 11.358 -7.364 1.00 1.42 H new ATOM 0 HB2 SER A 44 8.282 9.715 -6.170 1.00 1.47 H new ATOM 0 HB3 SER A 44 8.968 11.316 -5.977 1.00 1.47 H new ATOM 0 HG SER A 44 7.640 11.222 -4.246 1.00 1.77 H new ATOM 677 N GLN A 45 7.340 13.187 -8.851 1.00 1.29 N ATOM 678 CA GLN A 45 7.848 14.500 -9.350 1.00 1.27 C ATOM 679 C GLN A 45 7.150 15.659 -8.611 1.00 1.18 C ATOM 680 O GLN A 45 6.932 16.723 -9.173 1.00 1.22 O ATOM 681 CB GLN A 45 7.502 14.507 -10.844 1.00 1.34 C ATOM 682 CG GLN A 45 8.672 13.915 -11.645 1.00 1.48 C ATOM 683 CD GLN A 45 9.308 14.990 -12.537 1.00 1.63 C ATOM 684 OE1 GLN A 45 8.970 16.153 -12.448 1.00 1.69 O ATOM 685 NE2 GLN A 45 10.219 14.651 -13.400 1.00 2.08 N ATOM 0 H GLN A 45 6.472 12.867 -9.281 1.00 1.29 H new ATOM 0 HA GLN A 45 8.917 14.629 -9.181 1.00 1.27 H new ATOM 0 HB2 GLN A 45 6.596 13.927 -11.021 1.00 1.34 H new ATOM 0 HB3 GLN A 45 7.299 15.525 -11.176 1.00 1.34 H new ATOM 0 HG2 GLN A 45 9.420 13.510 -10.963 1.00 1.48 H new ATOM 0 HG3 GLN A 45 8.318 13.087 -12.259 1.00 1.48 H new ATOM 0 HE21 GLN A 45 10.508 13.676 -13.480 1.00 2.08 H new ATOM 0 HE22 GLN A 45 10.645 15.360 -13.997 1.00 2.08 H new ATOM 694 N SER A 46 6.795 15.453 -7.356 1.00 1.09 N ATOM 695 CA SER A 46 6.097 16.519 -6.561 1.00 1.04 C ATOM 696 C SER A 46 4.753 16.851 -7.220 1.00 1.01 C ATOM 697 O SER A 46 4.440 17.997 -7.477 1.00 1.18 O ATOM 698 CB SER A 46 7.035 17.731 -6.579 1.00 1.10 C ATOM 699 OG SER A 46 7.002 18.378 -5.308 1.00 1.14 O ATOM 0 H SER A 46 6.962 14.584 -6.848 1.00 1.09 H new ATOM 0 HA SER A 46 5.886 16.206 -5.539 1.00 1.04 H new ATOM 0 HB2 SER A 46 8.052 17.414 -6.811 1.00 1.10 H new ATOM 0 HB3 SER A 46 6.732 18.427 -7.361 1.00 1.10 H new ATOM 0 HG SER A 46 7.603 19.152 -5.319 1.00 1.14 H new ATOM 705 N GLU A 47 3.972 15.844 -7.510 1.00 0.95 N ATOM 706 CA GLU A 47 2.658 16.066 -8.178 1.00 0.95 C ATOM 707 C GLU A 47 1.483 15.921 -7.195 1.00 0.90 C ATOM 708 O GLU A 47 1.649 15.518 -6.061 1.00 0.94 O ATOM 709 CB GLU A 47 2.596 15.008 -9.296 1.00 1.05 C ATOM 710 CG GLU A 47 2.635 13.585 -8.707 1.00 1.12 C ATOM 711 CD GLU A 47 4.080 13.073 -8.647 1.00 1.22 C ATOM 712 OE1 GLU A 47 4.531 12.492 -9.620 1.00 1.46 O ATOM 713 OE2 GLU A 47 4.712 13.272 -7.622 1.00 1.24 O ATOM 0 H GLU A 47 4.192 14.868 -7.310 1.00 0.95 H new ATOM 0 HA GLU A 47 2.573 17.079 -8.571 1.00 0.95 H new ATOM 0 HB2 GLU A 47 1.684 15.141 -9.878 1.00 1.05 H new ATOM 0 HB3 GLU A 47 3.433 15.146 -9.980 1.00 1.05 H new ATOM 0 HG2 GLU A 47 2.200 13.586 -7.707 1.00 1.12 H new ATOM 0 HG3 GLU A 47 2.030 12.915 -9.317 1.00 1.12 H new ATOM 720 N ASP A 48 0.295 16.264 -7.630 1.00 0.88 N ATOM 721 CA ASP A 48 -0.901 16.167 -6.736 1.00 0.86 C ATOM 722 C ASP A 48 -1.383 14.711 -6.634 1.00 0.90 C ATOM 723 O ASP A 48 -1.867 14.142 -7.597 1.00 1.01 O ATOM 724 CB ASP A 48 -1.976 17.033 -7.409 1.00 0.91 C ATOM 725 CG ASP A 48 -1.508 18.485 -7.503 1.00 1.09 C ATOM 726 OD1 ASP A 48 -1.519 19.157 -6.482 1.00 1.11 O ATOM 727 OD2 ASP A 48 -1.157 18.901 -8.597 1.00 1.65 O ATOM 0 H ASP A 48 0.102 16.609 -8.570 1.00 0.88 H new ATOM 0 HA ASP A 48 -0.677 16.500 -5.723 1.00 0.86 H new ATOM 0 HB2 ASP A 48 -2.191 16.648 -8.406 1.00 0.91 H new ATOM 0 HB3 ASP A 48 -2.904 16.979 -6.840 1.00 0.91 H new ATOM 732 N GLU A 49 -1.259 14.107 -5.480 1.00 0.99 N ATOM 733 CA GLU A 49 -1.712 12.698 -5.321 1.00 1.05 C ATOM 734 C GLU A 49 -2.267 12.455 -3.910 1.00 1.00 C ATOM 735 O GLU A 49 -2.214 13.322 -3.057 1.00 0.96 O ATOM 736 CB GLU A 49 -0.463 11.849 -5.574 1.00 1.11 C ATOM 737 CG GLU A 49 -0.719 10.919 -6.765 1.00 1.26 C ATOM 738 CD GLU A 49 -1.025 9.507 -6.268 1.00 1.27 C ATOM 739 OE1 GLU A 49 -1.921 9.360 -5.449 1.00 1.25 O ATOM 740 OE2 GLU A 49 -0.355 8.588 -6.710 1.00 1.38 O ATOM 0 H GLU A 49 -0.863 14.532 -4.642 1.00 0.99 H new ATOM 0 HA GLU A 49 -2.519 12.449 -6.010 1.00 1.05 H new ATOM 0 HB2 GLU A 49 0.393 12.492 -5.777 1.00 1.11 H new ATOM 0 HB3 GLU A 49 -0.220 11.265 -4.687 1.00 1.11 H new ATOM 0 HG2 GLU A 49 -1.554 11.294 -7.357 1.00 1.26 H new ATOM 0 HG3 GLU A 49 0.153 10.903 -7.418 1.00 1.26 H new ATOM 747 N GLU A 50 -2.796 11.274 -3.668 1.00 1.05 N ATOM 748 CA GLU A 50 -3.367 10.935 -2.321 1.00 1.03 C ATOM 749 C GLU A 50 -4.544 11.866 -1.971 1.00 1.08 C ATOM 750 O GLU A 50 -4.366 12.936 -1.420 1.00 1.22 O ATOM 751 CB GLU A 50 -2.206 11.120 -1.340 1.00 0.91 C ATOM 752 CG GLU A 50 -2.493 10.340 -0.056 1.00 0.96 C ATOM 753 CD GLU A 50 -1.680 9.051 -0.042 1.00 1.00 C ATOM 754 OE1 GLU A 50 -1.948 8.195 -0.875 1.00 1.08 O ATOM 755 OE2 GLU A 50 -0.802 8.939 0.798 1.00 1.05 O ATOM 0 H GLU A 50 -2.857 10.523 -4.355 1.00 1.05 H new ATOM 0 HA GLU A 50 -3.766 9.921 -2.290 1.00 1.03 H new ATOM 0 HB2 GLU A 50 -1.277 10.771 -1.790 1.00 0.91 H new ATOM 0 HB3 GLU A 50 -2.073 12.178 -1.113 1.00 0.91 H new ATOM 0 HG2 GLU A 50 -2.243 10.948 0.813 1.00 0.96 H new ATOM 0 HG3 GLU A 50 -3.556 10.111 0.011 1.00 0.96 H new ATOM 762 N SER A 51 -5.752 11.460 -2.287 1.00 1.26 N ATOM 763 CA SER A 51 -6.942 12.322 -1.978 1.00 1.42 C ATOM 764 C SER A 51 -7.735 11.762 -0.793 1.00 1.44 C ATOM 765 O SER A 51 -7.697 12.296 0.297 1.00 1.48 O ATOM 766 CB SER A 51 -7.793 12.316 -3.256 1.00 1.82 C ATOM 767 OG SER A 51 -8.178 10.976 -3.566 1.00 2.16 O ATOM 0 H SER A 51 -5.966 10.573 -2.743 1.00 1.26 H new ATOM 0 HA SER A 51 -6.643 13.331 -1.695 1.00 1.42 H new ATOM 0 HB2 SER A 51 -8.678 12.937 -3.119 1.00 1.82 H new ATOM 0 HB3 SER A 51 -7.228 12.744 -4.084 1.00 1.82 H new ATOM 0 HG SER A 51 -8.723 10.972 -4.381 1.00 2.16 H new ATOM 773 N ILE A 52 -8.468 10.703 -1.011 1.00 1.55 N ATOM 774 CA ILE A 52 -9.301 10.094 0.083 1.00 1.67 C ATOM 775 C ILE A 52 -8.460 9.778 1.329 1.00 1.61 C ATOM 776 O ILE A 52 -8.906 9.957 2.445 1.00 1.75 O ATOM 777 CB ILE A 52 -9.890 8.804 -0.518 1.00 1.82 C ATOM 778 CG1 ILE A 52 -8.797 7.739 -0.680 1.00 1.76 C ATOM 779 CG2 ILE A 52 -10.504 9.101 -1.885 1.00 1.97 C ATOM 780 CD1 ILE A 52 -9.403 6.469 -1.277 1.00 2.00 C ATOM 0 H ILE A 52 -8.530 10.224 -1.909 1.00 1.55 H new ATOM 0 HA ILE A 52 -10.078 10.783 0.414 1.00 1.67 H new ATOM 0 HB ILE A 52 -10.658 8.429 0.159 1.00 1.82 H new ATOM 0 HG12 ILE A 52 -8.003 8.114 -1.326 1.00 1.76 H new ATOM 0 HG13 ILE A 52 -8.344 7.518 0.287 1.00 1.76 H new ATOM 0 HG21 ILE A 52 -10.919 8.184 -2.304 1.00 1.97 H new ATOM 0 HG22 ILE A 52 -11.297 9.841 -1.775 1.00 1.97 H new ATOM 0 HG23 ILE A 52 -9.735 9.490 -2.552 1.00 1.97 H new ATOM 0 HD11 ILE A 52 -8.625 5.714 -1.391 1.00 2.00 H new ATOM 0 HD12 ILE A 52 -10.181 6.091 -0.614 1.00 2.00 H new ATOM 0 HD13 ILE A 52 -9.835 6.695 -2.252 1.00 2.00 H new ATOM 792 N VAL A 53 -7.256 9.304 1.152 1.00 1.50 N ATOM 793 CA VAL A 53 -6.399 8.976 2.342 1.00 1.51 C ATOM 794 C VAL A 53 -5.475 10.155 2.701 1.00 1.34 C ATOM 795 O VAL A 53 -5.091 10.323 3.845 1.00 1.43 O ATOM 796 CB VAL A 53 -5.590 7.730 1.950 1.00 1.55 C ATOM 797 CG1 VAL A 53 -4.671 8.039 0.765 1.00 1.37 C ATOM 798 CG2 VAL A 53 -4.739 7.287 3.142 1.00 1.72 C ATOM 0 H VAL A 53 -6.826 9.129 0.244 1.00 1.50 H new ATOM 0 HA VAL A 53 -7.005 8.788 3.229 1.00 1.51 H new ATOM 0 HB VAL A 53 -6.281 6.937 1.665 1.00 1.55 H new ATOM 0 HG11 VAL A 53 -4.105 7.146 0.501 1.00 1.37 H new ATOM 0 HG12 VAL A 53 -5.271 8.354 -0.088 1.00 1.37 H new ATOM 0 HG13 VAL A 53 -3.981 8.837 1.038 1.00 1.37 H new ATOM 0 HG21 VAL A 53 -4.163 6.403 2.869 1.00 1.72 H new ATOM 0 HG22 VAL A 53 -4.059 8.091 3.422 1.00 1.72 H new ATOM 0 HG23 VAL A 53 -5.388 7.051 3.985 1.00 1.72 H new ATOM 808 N GLY A 54 -5.125 10.973 1.738 1.00 1.13 N ATOM 809 CA GLY A 54 -4.240 12.147 2.021 1.00 0.98 C ATOM 810 C GLY A 54 -5.020 13.194 2.822 1.00 1.06 C ATOM 811 O GLY A 54 -5.461 14.193 2.281 1.00 1.06 O ATOM 0 H GLY A 54 -5.415 10.878 0.765 1.00 1.13 H new ATOM 0 HA2 GLY A 54 -3.361 11.827 2.580 1.00 0.98 H new ATOM 0 HA3 GLY A 54 -3.883 12.580 1.087 1.00 0.98 H new ATOM 815 N ASP A 55 -5.199 12.959 4.105 1.00 1.26 N ATOM 816 CA ASP A 55 -5.958 13.915 4.980 1.00 1.42 C ATOM 817 C ASP A 55 -7.447 13.958 4.584 1.00 1.71 C ATOM 818 O ASP A 55 -8.314 13.606 5.363 1.00 2.02 O ATOM 819 CB ASP A 55 -5.282 15.284 4.777 1.00 1.19 C ATOM 820 CG ASP A 55 -5.639 16.226 5.927 1.00 1.33 C ATOM 821 OD1 ASP A 55 -6.811 16.518 6.101 1.00 1.59 O ATOM 822 OD2 ASP A 55 -4.726 16.664 6.605 1.00 1.27 O ATOM 0 H ASP A 55 -4.846 12.133 4.588 1.00 1.26 H new ATOM 0 HA ASP A 55 -5.935 13.613 6.027 1.00 1.42 H new ATOM 0 HB2 ASP A 55 -4.201 15.159 4.722 1.00 1.19 H new ATOM 0 HB3 ASP A 55 -5.601 15.718 3.829 1.00 1.19 H new ATOM 827 N GLY A 56 -7.748 14.410 3.393 1.00 1.69 N ATOM 828 CA GLY A 56 -9.167 14.510 2.945 1.00 2.06 C ATOM 829 C GLY A 56 -9.412 15.970 2.605 1.00 2.17 C ATOM 830 O GLY A 56 -9.972 16.304 1.578 1.00 2.38 O ATOM 0 H GLY A 56 -7.061 14.717 2.705 1.00 1.69 H new ATOM 0 HA2 GLY A 56 -9.345 13.875 2.077 1.00 2.06 H new ATOM 0 HA3 GLY A 56 -9.846 14.176 3.730 1.00 2.06 H new ATOM 834 N GLU A 57 -8.955 16.841 3.462 1.00 2.07 N ATOM 835 CA GLU A 57 -9.104 18.301 3.214 1.00 2.21 C ATOM 836 C GLU A 57 -7.734 19.010 3.274 1.00 1.92 C ATOM 837 O GLU A 57 -7.598 20.126 2.813 1.00 2.08 O ATOM 838 CB GLU A 57 -10.039 18.814 4.318 1.00 2.51 C ATOM 839 CG GLU A 57 -9.520 18.376 5.696 1.00 2.44 C ATOM 840 CD GLU A 57 -9.842 19.442 6.745 1.00 2.73 C ATOM 841 OE1 GLU A 57 -10.973 19.889 6.786 1.00 3.17 O ATOM 842 OE2 GLU A 57 -8.944 19.780 7.504 1.00 2.62 O ATOM 0 H GLU A 57 -8.480 16.600 4.332 1.00 2.07 H new ATOM 0 HA GLU A 57 -9.510 18.502 2.223 1.00 2.21 H new ATOM 0 HB2 GLU A 57 -10.104 19.901 4.274 1.00 2.51 H new ATOM 0 HB3 GLU A 57 -11.046 18.428 4.161 1.00 2.51 H new ATOM 0 HG2 GLU A 57 -9.975 17.427 5.979 1.00 2.44 H new ATOM 0 HG3 GLU A 57 -8.443 18.212 5.652 1.00 2.44 H new ATOM 849 N THR A 58 -6.723 18.362 3.833 1.00 1.57 N ATOM 850 CA THR A 58 -5.345 18.969 3.937 1.00 1.34 C ATOM 851 C THR A 58 -5.327 20.087 4.992 1.00 1.40 C ATOM 852 O THR A 58 -6.108 21.016 4.948 1.00 1.75 O ATOM 853 CB THR A 58 -4.991 19.507 2.541 1.00 1.52 C ATOM 854 OG1 THR A 58 -5.155 18.477 1.572 1.00 1.45 O ATOM 855 CG2 THR A 58 -3.537 19.970 2.531 1.00 1.70 C ATOM 0 H THR A 58 -6.799 17.424 4.227 1.00 1.57 H new ATOM 0 HA THR A 58 -4.610 18.230 4.255 1.00 1.34 H new ATOM 0 HB THR A 58 -5.650 20.342 2.302 1.00 1.52 H new ATOM 0 HG1 THR A 58 -5.262 18.877 0.684 1.00 1.45 H new ATOM 0 HG21 THR A 58 -3.284 20.352 1.542 1.00 1.70 H new ATOM 0 HG22 THR A 58 -3.401 20.759 3.271 1.00 1.70 H new ATOM 0 HG23 THR A 58 -2.886 19.130 2.773 1.00 1.70 H new ATOM 863 N LYS A 59 -4.442 19.991 5.955 1.00 1.25 N ATOM 864 CA LYS A 59 -4.379 21.035 7.032 1.00 1.35 C ATOM 865 C LYS A 59 -3.809 22.356 6.490 1.00 1.41 C ATOM 866 O LYS A 59 -3.162 22.391 5.459 1.00 1.41 O ATOM 867 CB LYS A 59 -3.460 20.449 8.115 1.00 1.30 C ATOM 868 CG LYS A 59 -4.301 20.000 9.318 1.00 1.50 C ATOM 869 CD LYS A 59 -4.800 18.565 9.093 1.00 1.60 C ATOM 870 CE LYS A 59 -6.329 18.517 9.214 1.00 2.04 C ATOM 871 NZ LYS A 59 -6.835 18.529 7.808 1.00 2.04 N ATOM 0 H LYS A 59 -3.761 19.237 6.044 1.00 1.25 H new ATOM 0 HA LYS A 59 -5.370 21.268 7.422 1.00 1.35 H new ATOM 0 HB2 LYS A 59 -2.901 19.604 7.713 1.00 1.30 H new ATOM 0 HB3 LYS A 59 -2.729 21.194 8.428 1.00 1.30 H new ATOM 0 HG2 LYS A 59 -3.705 20.050 10.229 1.00 1.50 H new ATOM 0 HG3 LYS A 59 -5.148 20.673 9.454 1.00 1.50 H new ATOM 0 HD2 LYS A 59 -4.494 18.215 8.107 1.00 1.60 H new ATOM 0 HD3 LYS A 59 -4.348 17.895 9.824 1.00 1.60 H new ATOM 0 HE2 LYS A 59 -6.654 17.620 9.742 1.00 2.04 H new ATOM 0 HE3 LYS A 59 -6.706 19.372 9.775 1.00 2.04 H new ATOM 0 HZ1 LYS A 59 -7.678 19.136 7.747 1.00 2.04 H new ATOM 0 HZ2 LYS A 59 -6.096 18.899 7.176 1.00 2.04 H new ATOM 0 HZ3 LYS A 59 -7.084 17.561 7.520 1.00 2.04 H new ATOM 885 N GLU A 60 -4.047 23.442 7.189 1.00 1.58 N ATOM 886 CA GLU A 60 -3.531 24.780 6.737 1.00 1.74 C ATOM 887 C GLU A 60 -2.032 24.719 6.368 1.00 1.66 C ATOM 888 O GLU A 60 -1.662 25.097 5.271 1.00 1.76 O ATOM 889 CB GLU A 60 -3.763 25.721 7.924 1.00 1.92 C ATOM 890 CG GLU A 60 -3.730 27.176 7.440 1.00 2.15 C ATOM 891 CD GLU A 60 -2.638 27.940 8.183 1.00 2.34 C ATOM 892 OE1 GLU A 60 -1.501 27.873 7.754 1.00 2.74 O ATOM 893 OE2 GLU A 60 -2.960 28.569 9.176 1.00 2.68 O ATOM 0 H GLU A 60 -4.580 23.461 8.059 1.00 1.58 H new ATOM 0 HA GLU A 60 -4.043 25.119 5.837 1.00 1.74 H new ATOM 0 HB2 GLU A 60 -4.724 25.504 8.391 1.00 1.92 H new ATOM 0 HB3 GLU A 60 -2.997 25.562 8.683 1.00 1.92 H new ATOM 0 HG2 GLU A 60 -3.544 27.208 6.367 1.00 2.15 H new ATOM 0 HG3 GLU A 60 -4.698 27.648 7.610 1.00 2.15 H new ATOM 900 N PRO A 61 -1.210 24.237 7.285 1.00 1.60 N ATOM 901 CA PRO A 61 0.251 24.135 7.010 1.00 1.68 C ATOM 902 C PRO A 61 0.530 23.121 5.890 1.00 1.56 C ATOM 903 O PRO A 61 1.529 23.208 5.198 1.00 1.76 O ATOM 904 CB PRO A 61 0.835 23.673 8.348 1.00 1.73 C ATOM 905 CG PRO A 61 -0.299 23.002 9.047 1.00 1.61 C ATOM 906 CD PRO A 61 -1.541 23.743 8.632 1.00 1.59 C ATOM 0 HA PRO A 61 0.689 25.072 6.665 1.00 1.68 H new ATOM 0 HB2 PRO A 61 1.670 22.988 8.200 1.00 1.73 H new ATOM 0 HB3 PRO A 61 1.213 24.516 8.927 1.00 1.73 H new ATOM 0 HG2 PRO A 61 -0.361 21.950 8.768 1.00 1.61 H new ATOM 0 HG3 PRO A 61 -0.167 23.038 10.128 1.00 1.61 H new ATOM 0 HD2 PRO A 61 -2.413 23.089 8.617 1.00 1.59 H new ATOM 0 HD3 PRO A 61 -1.768 24.561 9.315 1.00 1.59 H new ATOM 914 N PHE A 62 -0.346 22.168 5.694 1.00 1.34 N ATOM 915 CA PHE A 62 -0.129 21.164 4.618 1.00 1.26 C ATOM 916 C PHE A 62 -0.604 21.708 3.270 1.00 1.22 C ATOM 917 O PHE A 62 0.054 21.540 2.262 1.00 1.21 O ATOM 918 CB PHE A 62 -0.933 19.928 5.035 1.00 1.21 C ATOM 919 CG PHE A 62 -0.006 18.944 5.703 1.00 1.51 C ATOM 920 CD1 PHE A 62 0.881 18.190 4.931 1.00 1.77 C ATOM 921 CD2 PHE A 62 -0.025 18.791 7.094 1.00 2.03 C ATOM 922 CE1 PHE A 62 1.749 17.284 5.545 1.00 2.25 C ATOM 923 CE2 PHE A 62 0.844 17.883 7.709 1.00 2.59 C ATOM 924 CZ PHE A 62 1.732 17.130 6.933 1.00 2.61 C ATOM 0 H PHE A 62 -1.202 22.045 6.235 1.00 1.34 H new ATOM 0 HA PHE A 62 0.927 20.923 4.495 1.00 1.26 H new ATOM 0 HB2 PHE A 62 -1.735 20.212 5.716 1.00 1.21 H new ATOM 0 HB3 PHE A 62 -1.402 19.472 4.163 1.00 1.21 H new ATOM 0 HD1 PHE A 62 0.896 18.308 3.858 1.00 1.77 H new ATOM 0 HD2 PHE A 62 -0.710 19.373 7.692 1.00 2.03 H new ATOM 0 HE1 PHE A 62 2.434 16.702 4.946 1.00 2.25 H new ATOM 0 HE2 PHE A 62 0.829 17.763 8.782 1.00 2.59 H new ATOM 0 HZ PHE A 62 2.404 16.430 7.407 1.00 2.61 H new ATOM 934 N LEU A 63 -1.727 22.372 3.241 1.00 1.26 N ATOM 935 CA LEU A 63 -2.218 22.935 1.942 1.00 1.30 C ATOM 936 C LEU A 63 -1.276 24.047 1.464 1.00 1.39 C ATOM 937 O LEU A 63 -1.102 24.252 0.277 1.00 1.39 O ATOM 938 CB LEU A 63 -3.648 23.453 2.209 1.00 1.41 C ATOM 939 CG LEU A 63 -3.628 24.898 2.727 1.00 1.63 C ATOM 940 CD1 LEU A 63 -3.657 25.879 1.551 1.00 1.91 C ATOM 941 CD2 LEU A 63 -4.859 25.134 3.600 1.00 1.74 C ATOM 0 H LEU A 63 -2.323 22.550 4.049 1.00 1.26 H new ATOM 0 HA LEU A 63 -2.235 22.188 1.148 1.00 1.30 H new ATOM 0 HB2 LEU A 63 -4.234 23.401 1.291 1.00 1.41 H new ATOM 0 HB3 LEU A 63 -4.140 22.809 2.938 1.00 1.41 H new ATOM 0 HG LEU A 63 -2.718 25.057 3.306 1.00 1.63 H new ATOM 0 HD11 LEU A 63 -3.643 26.901 1.929 1.00 1.91 H new ATOM 0 HD12 LEU A 63 -2.785 25.714 0.918 1.00 1.91 H new ATOM 0 HD13 LEU A 63 -4.564 25.721 0.968 1.00 1.91 H new ATOM 0 HD21 LEU A 63 -4.851 26.159 3.971 1.00 1.74 H new ATOM 0 HD22 LEU A 63 -5.761 24.969 3.010 1.00 1.74 H new ATOM 0 HD23 LEU A 63 -4.845 24.443 4.443 1.00 1.74 H new ATOM 953 N LEU A 64 -0.655 24.748 2.382 1.00 1.51 N ATOM 954 CA LEU A 64 0.293 25.842 2.002 1.00 1.66 C ATOM 955 C LEU A 64 1.469 25.274 1.193 1.00 1.59 C ATOM 956 O LEU A 64 1.756 25.733 0.100 1.00 1.60 O ATOM 957 CB LEU A 64 0.777 26.436 3.330 1.00 1.85 C ATOM 958 CG LEU A 64 0.664 27.960 3.283 1.00 2.24 C ATOM 959 CD1 LEU A 64 -0.234 28.435 4.427 1.00 2.54 C ATOM 960 CD2 LEU A 64 2.057 28.581 3.428 1.00 2.70 C ATOM 0 H LEU A 64 -0.766 24.608 3.386 1.00 1.51 H new ATOM 0 HA LEU A 64 -0.181 26.597 1.374 1.00 1.66 H new ATOM 0 HB2 LEU A 64 0.182 26.043 4.154 1.00 1.85 H new ATOM 0 HB3 LEU A 64 1.811 26.144 3.515 1.00 1.85 H new ATOM 0 HG LEU A 64 0.232 28.267 2.330 1.00 2.24 H new ATOM 0 HD11 LEU A 64 -0.317 29.521 4.397 1.00 2.54 H new ATOM 0 HD12 LEU A 64 -1.224 27.992 4.320 1.00 2.54 H new ATOM 0 HD13 LEU A 64 0.199 28.130 5.380 1.00 2.54 H new ATOM 0 HD21 LEU A 64 1.976 29.667 3.394 1.00 2.70 H new ATOM 0 HD22 LEU A 64 2.493 28.279 4.380 1.00 2.70 H new ATOM 0 HD23 LEU A 64 2.694 28.239 2.613 1.00 2.70 H new ATOM 972 N VAL A 65 2.150 24.275 1.708 1.00 1.55 N ATOM 973 CA VAL A 65 3.293 23.682 0.950 1.00 1.54 C ATOM 974 C VAL A 65 2.766 22.857 -0.236 1.00 1.38 C ATOM 975 O VAL A 65 3.388 22.792 -1.281 1.00 1.39 O ATOM 976 CB VAL A 65 4.069 22.813 1.955 1.00 1.60 C ATOM 977 CG1 VAL A 65 4.676 23.703 3.043 1.00 1.82 C ATOM 978 CG2 VAL A 65 3.148 21.777 2.613 1.00 1.47 C ATOM 0 H VAL A 65 1.963 23.849 2.616 1.00 1.55 H new ATOM 0 HA VAL A 65 3.947 24.445 0.528 1.00 1.54 H new ATOM 0 HB VAL A 65 4.857 22.289 1.414 1.00 1.60 H new ATOM 0 HG11 VAL A 65 5.225 23.085 3.754 1.00 1.82 H new ATOM 0 HG12 VAL A 65 5.356 24.423 2.587 1.00 1.82 H new ATOM 0 HG13 VAL A 65 3.880 24.235 3.564 1.00 1.82 H new ATOM 0 HG21 VAL A 65 3.722 21.176 3.319 1.00 1.47 H new ATOM 0 HG22 VAL A 65 2.344 22.289 3.142 1.00 1.47 H new ATOM 0 HG23 VAL A 65 2.723 21.129 1.846 1.00 1.47 H new ATOM 988 N GLN A 66 1.605 22.261 -0.092 1.00 1.28 N ATOM 989 CA GLN A 66 1.014 21.471 -1.220 1.00 1.17 C ATOM 990 C GLN A 66 0.686 22.413 -2.382 1.00 1.15 C ATOM 991 O GLN A 66 1.001 22.141 -3.526 1.00 1.13 O ATOM 992 CB GLN A 66 -0.258 20.825 -0.651 1.00 1.15 C ATOM 993 CG GLN A 66 -0.561 19.528 -1.411 1.00 1.22 C ATOM 994 CD GLN A 66 -2.072 19.324 -1.500 1.00 1.30 C ATOM 995 OE1 GLN A 66 -2.684 19.663 -2.495 1.00 1.52 O ATOM 996 NE2 GLN A 66 -2.709 18.778 -0.503 1.00 1.41 N ATOM 0 H GLN A 66 1.041 22.288 0.758 1.00 1.28 H new ATOM 0 HA GLN A 66 1.696 20.712 -1.603 1.00 1.17 H new ATOM 0 HB2 GLN A 66 -0.127 20.614 0.410 1.00 1.15 H new ATOM 0 HB3 GLN A 66 -1.098 21.514 -0.738 1.00 1.15 H new ATOM 0 HG2 GLN A 66 -0.131 19.573 -2.412 1.00 1.22 H new ATOM 0 HG3 GLN A 66 -0.099 18.681 -0.903 1.00 1.22 H new ATOM 0 HE21 GLN A 66 -2.199 18.492 0.333 1.00 1.41 H new ATOM 0 HE22 GLN A 66 -3.718 18.636 -0.559 1.00 1.41 H new ATOM 1005 N TYR A 67 0.091 23.538 -2.086 1.00 1.22 N ATOM 1006 CA TYR A 67 -0.230 24.535 -3.156 1.00 1.26 C ATOM 1007 C TYR A 67 1.075 25.134 -3.682 1.00 1.31 C ATOM 1008 O TYR A 67 1.262 25.317 -4.872 1.00 1.29 O ATOM 1009 CB TYR A 67 -1.067 25.617 -2.464 1.00 1.38 C ATOM 1010 CG TYR A 67 -2.495 25.565 -2.952 1.00 1.54 C ATOM 1011 CD1 TYR A 67 -3.398 24.663 -2.383 1.00 1.91 C ATOM 1012 CD2 TYR A 67 -2.919 26.429 -3.968 1.00 1.85 C ATOM 1013 CE1 TYR A 67 -4.725 24.624 -2.830 1.00 2.38 C ATOM 1014 CE2 TYR A 67 -4.244 26.387 -4.416 1.00 2.33 C ATOM 1015 CZ TYR A 67 -5.145 25.486 -3.845 1.00 2.54 C ATOM 1016 OH TYR A 67 -6.453 25.449 -4.277 1.00 3.16 O ATOM 0 H TYR A 67 -0.189 23.813 -1.145 1.00 1.22 H new ATOM 0 HA TYR A 67 -0.764 24.093 -3.997 1.00 1.26 H new ATOM 0 HB2 TYR A 67 -1.039 25.473 -1.384 1.00 1.38 H new ATOM 0 HB3 TYR A 67 -0.642 26.600 -2.666 1.00 1.38 H new ATOM 0 HD1 TYR A 67 -3.073 23.996 -1.598 1.00 1.91 H new ATOM 0 HD2 TYR A 67 -2.223 27.129 -4.407 1.00 1.85 H new ATOM 0 HE1 TYR A 67 -5.423 23.927 -2.390 1.00 2.38 H new ATOM 0 HE2 TYR A 67 -4.570 27.051 -5.203 1.00 2.33 H new ATOM 0 HH TYR A 67 -6.582 26.112 -4.987 1.00 3.16 H new ATOM 1026 N SER A 68 1.979 25.426 -2.784 1.00 1.43 N ATOM 1027 CA SER A 68 3.300 26.006 -3.179 1.00 1.55 C ATOM 1028 C SER A 68 4.049 25.044 -4.106 1.00 1.46 C ATOM 1029 O SER A 68 4.703 25.464 -5.037 1.00 1.50 O ATOM 1030 CB SER A 68 4.074 26.194 -1.871 1.00 1.70 C ATOM 1031 OG SER A 68 3.389 27.131 -1.046 1.00 1.82 O ATOM 0 H SER A 68 1.858 25.286 -1.781 1.00 1.43 H new ATOM 0 HA SER A 68 3.183 26.946 -3.719 1.00 1.55 H new ATOM 0 HB2 SER A 68 4.171 25.240 -1.353 1.00 1.70 H new ATOM 0 HB3 SER A 68 5.084 26.547 -2.081 1.00 1.70 H new ATOM 0 HG SER A 68 2.922 26.655 -0.328 1.00 1.82 H new ATOM 1037 N ALA A 69 3.959 23.758 -3.862 1.00 1.40 N ATOM 1038 CA ALA A 69 4.671 22.775 -4.739 1.00 1.37 C ATOM 1039 C ALA A 69 3.827 22.440 -5.976 1.00 1.20 C ATOM 1040 O ALA A 69 4.338 22.337 -7.080 1.00 1.23 O ATOM 1041 CB ALA A 69 4.878 21.528 -3.870 1.00 1.40 C ATOM 0 H ALA A 69 3.425 23.348 -3.096 1.00 1.40 H new ATOM 0 HA ALA A 69 5.617 23.173 -5.107 1.00 1.37 H new ATOM 0 HB1 ALA A 69 5.396 20.763 -4.449 1.00 1.40 H new ATOM 0 HB2 ALA A 69 5.476 21.788 -2.996 1.00 1.40 H new ATOM 0 HB3 ALA A 69 3.910 21.145 -3.546 1.00 1.40 H new ATOM 1047 N LYS A 70 2.543 22.265 -5.801 1.00 1.08 N ATOM 1048 CA LYS A 70 1.664 21.927 -6.964 1.00 0.97 C ATOM 1049 C LYS A 70 1.596 23.081 -7.971 1.00 0.99 C ATOM 1050 O LYS A 70 1.525 22.853 -9.154 1.00 0.96 O ATOM 1051 CB LYS A 70 0.282 21.600 -6.371 1.00 0.93 C ATOM 1052 CG LYS A 70 -0.629 22.836 -6.370 1.00 0.98 C ATOM 1053 CD LYS A 70 -2.065 22.407 -6.040 1.00 1.00 C ATOM 1054 CE LYS A 70 -2.127 21.858 -4.611 1.00 0.99 C ATOM 1055 NZ LYS A 70 -2.690 20.483 -4.745 1.00 1.04 N ATOM 0 H LYS A 70 2.064 22.341 -4.904 1.00 1.08 H new ATOM 0 HA LYS A 70 2.057 21.079 -7.524 1.00 0.97 H new ATOM 0 HB2 LYS A 70 -0.185 20.802 -6.948 1.00 0.93 H new ATOM 0 HB3 LYS A 70 0.399 21.230 -5.352 1.00 0.93 H new ATOM 0 HG2 LYS A 70 -0.276 23.561 -5.637 1.00 0.98 H new ATOM 0 HG3 LYS A 70 -0.598 23.326 -7.343 1.00 0.98 H new ATOM 0 HD2 LYS A 70 -2.741 23.256 -6.143 1.00 1.00 H new ATOM 0 HD3 LYS A 70 -2.399 21.647 -6.746 1.00 1.00 H new ATOM 0 HE2 LYS A 70 -1.138 21.836 -4.154 1.00 0.99 H new ATOM 0 HE3 LYS A 70 -2.757 22.481 -3.976 1.00 0.99 H new ATOM 0 HZ1 LYS A 70 -2.714 20.025 -3.811 1.00 1.04 H new ATOM 0 HZ2 LYS A 70 -3.655 20.539 -5.129 1.00 1.04 H new ATOM 0 HZ3 LYS A 70 -2.093 19.925 -5.389 1.00 1.04 H new ATOM 1069 N GLY A 71 1.625 24.309 -7.519 1.00 1.11 N ATOM 1070 CA GLY A 71 1.568 25.469 -8.476 1.00 1.19 C ATOM 1071 C GLY A 71 2.589 25.263 -9.599 1.00 1.16 C ATOM 1072 O GLY A 71 2.217 25.152 -10.754 1.00 1.10 O ATOM 0 H GLY A 71 1.685 24.564 -6.533 1.00 1.11 H new ATOM 0 HA2 GLY A 71 0.566 25.558 -8.895 1.00 1.19 H new ATOM 0 HA3 GLY A 71 1.777 26.399 -7.948 1.00 1.19 H new ATOM 1076 N PRO A 72 3.848 25.192 -9.227 1.00 1.26 N ATOM 1077 CA PRO A 72 4.916 24.963 -10.229 1.00 1.31 C ATOM 1078 C PRO A 72 4.780 23.553 -10.824 1.00 1.19 C ATOM 1079 O PRO A 72 4.946 23.361 -12.012 1.00 1.20 O ATOM 1080 CB PRO A 72 6.208 25.127 -9.426 1.00 1.52 C ATOM 1081 CG PRO A 72 5.814 24.840 -8.015 1.00 1.51 C ATOM 1082 CD PRO A 72 4.393 25.312 -7.866 1.00 1.39 C ATOM 0 HA PRO A 72 4.879 25.647 -11.077 1.00 1.31 H new ATOM 0 HB2 PRO A 72 6.979 24.438 -9.770 1.00 1.52 H new ATOM 0 HB3 PRO A 72 6.613 26.134 -9.528 1.00 1.52 H new ATOM 0 HG2 PRO A 72 5.894 23.775 -7.799 1.00 1.51 H new ATOM 0 HG3 PRO A 72 6.470 25.358 -7.316 1.00 1.51 H new ATOM 0 HD2 PRO A 72 3.838 24.699 -7.156 1.00 1.39 H new ATOM 0 HD3 PRO A 72 4.347 26.339 -7.504 1.00 1.39 H new ATOM 1090 N CYS A 73 4.451 22.564 -10.019 1.00 1.13 N ATOM 1091 CA CYS A 73 4.279 21.181 -10.572 1.00 1.09 C ATOM 1092 C CYS A 73 3.135 21.173 -11.589 1.00 0.98 C ATOM 1093 O CYS A 73 3.273 20.680 -12.692 1.00 1.04 O ATOM 1094 CB CYS A 73 3.935 20.291 -9.377 1.00 1.10 C ATOM 1095 SG CYS A 73 3.203 18.749 -9.981 1.00 1.31 S ATOM 0 H CYS A 73 4.296 22.655 -9.015 1.00 1.13 H new ATOM 0 HA CYS A 73 5.177 20.830 -11.081 1.00 1.09 H new ATOM 0 HB2 CYS A 73 4.832 20.079 -8.795 1.00 1.10 H new ATOM 0 HB3 CYS A 73 3.238 20.804 -8.714 1.00 1.10 H new ATOM 0 HG CYS A 73 1.961 18.681 -9.603 1.00 1.31 H new ATOM 1101 N VAL A 74 2.015 21.740 -11.224 1.00 0.89 N ATOM 1102 CA VAL A 74 0.853 21.806 -12.160 1.00 0.88 C ATOM 1103 C VAL A 74 1.295 22.534 -13.418 1.00 0.92 C ATOM 1104 O VAL A 74 1.121 22.046 -14.514 1.00 1.00 O ATOM 1105 CB VAL A 74 -0.245 22.578 -11.415 1.00 0.92 C ATOM 1106 CG1 VAL A 74 -1.320 23.038 -12.403 1.00 1.06 C ATOM 1107 CG2 VAL A 74 -0.891 21.670 -10.366 1.00 0.98 C ATOM 0 H VAL A 74 1.854 22.164 -10.310 1.00 0.89 H new ATOM 0 HA VAL A 74 0.483 20.825 -12.457 1.00 0.88 H new ATOM 0 HB VAL A 74 0.201 23.446 -10.929 1.00 0.92 H new ATOM 0 HG11 VAL A 74 -2.096 23.585 -11.868 1.00 1.06 H new ATOM 0 HG12 VAL A 74 -0.870 23.688 -13.154 1.00 1.06 H new ATOM 0 HG13 VAL A 74 -1.760 22.169 -12.892 1.00 1.06 H new ATOM 0 HG21 VAL A 74 -1.670 22.220 -9.839 1.00 0.98 H new ATOM 0 HG22 VAL A 74 -1.330 20.801 -10.857 1.00 0.98 H new ATOM 0 HG23 VAL A 74 -0.134 21.341 -9.654 1.00 0.98 H new ATOM 1117 N GLU A 75 1.905 23.675 -13.261 1.00 0.93 N ATOM 1118 CA GLU A 75 2.408 24.417 -14.455 1.00 1.00 C ATOM 1119 C GLU A 75 3.380 23.520 -15.239 1.00 1.09 C ATOM 1120 O GLU A 75 3.374 23.484 -16.454 1.00 1.17 O ATOM 1121 CB GLU A 75 3.135 25.642 -13.891 1.00 1.11 C ATOM 1122 CG GLU A 75 3.697 26.478 -15.044 1.00 1.24 C ATOM 1123 CD GLU A 75 2.561 27.212 -15.750 1.00 1.26 C ATOM 1124 OE1 GLU A 75 1.876 26.585 -16.548 1.00 1.24 O ATOM 1125 OE2 GLU A 75 2.400 28.392 -15.499 1.00 1.58 O ATOM 0 H GLU A 75 2.078 24.126 -12.363 1.00 0.93 H new ATOM 0 HA GLU A 75 1.610 24.708 -15.137 1.00 1.00 H new ATOM 0 HB2 GLU A 75 2.449 26.242 -13.293 1.00 1.11 H new ATOM 0 HB3 GLU A 75 3.942 25.327 -13.229 1.00 1.11 H new ATOM 0 HG2 GLU A 75 4.425 27.195 -14.665 1.00 1.24 H new ATOM 0 HG3 GLU A 75 4.221 25.834 -15.750 1.00 1.24 H new ATOM 1132 N ARG A 76 4.204 22.789 -14.534 1.00 1.15 N ATOM 1133 CA ARG A 76 5.190 21.875 -15.195 1.00 1.34 C ATOM 1134 C ARG A 76 4.476 20.764 -15.984 1.00 1.38 C ATOM 1135 O ARG A 76 4.718 20.585 -17.163 1.00 1.50 O ATOM 1136 CB ARG A 76 6.013 21.278 -14.046 1.00 1.44 C ATOM 1137 CG ARG A 76 7.273 20.603 -14.602 1.00 1.50 C ATOM 1138 CD ARG A 76 7.456 19.229 -13.946 1.00 1.47 C ATOM 1139 NE ARG A 76 8.271 19.484 -12.715 1.00 1.51 N ATOM 1140 CZ ARG A 76 7.822 19.125 -11.551 1.00 1.31 C ATOM 1141 NH1 ARG A 76 7.834 17.876 -11.207 1.00 1.27 N ATOM 1142 NH2 ARG A 76 7.387 20.019 -10.723 1.00 1.44 N ATOM 0 H ARG A 76 4.238 22.785 -13.515 1.00 1.15 H new ATOM 0 HA ARG A 76 5.812 22.407 -15.914 1.00 1.34 H new ATOM 0 HB2 ARG A 76 6.291 22.061 -13.341 1.00 1.44 H new ATOM 0 HB3 ARG A 76 5.413 20.552 -13.496 1.00 1.44 H new ATOM 0 HG2 ARG A 76 7.191 20.492 -15.683 1.00 1.50 H new ATOM 0 HG3 ARG A 76 8.146 21.227 -14.411 1.00 1.50 H new ATOM 0 HD2 ARG A 76 6.494 18.782 -13.695 1.00 1.47 H new ATOM 0 HD3 ARG A 76 7.964 18.537 -14.618 1.00 1.47 H new ATOM 0 HE ARG A 76 9.180 19.940 -12.792 1.00 1.51 H new ATOM 0 HH11 ARG A 76 8.197 17.173 -11.851 1.00 1.27 H new ATOM 0 HH12 ARG A 76 7.481 17.596 -10.292 1.00 1.27 H new ATOM 0 HH21 ARG A 76 7.397 21.005 -10.985 1.00 1.44 H new ATOM 0 HH22 ARG A 76 7.034 19.738 -9.808 1.00 1.44 H new ATOM 1156 N LYS A 77 3.603 20.013 -15.350 1.00 1.33 N ATOM 1157 CA LYS A 77 2.893 18.917 -16.086 1.00 1.47 C ATOM 1158 C LYS A 77 1.885 19.502 -17.085 1.00 1.44 C ATOM 1159 O LYS A 77 1.669 18.958 -18.154 1.00 1.60 O ATOM 1160 CB LYS A 77 2.213 18.043 -15.010 1.00 1.46 C ATOM 1161 CG LYS A 77 1.068 18.797 -14.318 1.00 1.28 C ATOM 1162 CD LYS A 77 0.218 17.807 -13.503 1.00 1.52 C ATOM 1163 CE LYS A 77 0.199 18.223 -12.025 1.00 1.75 C ATOM 1164 NZ LYS A 77 -1.153 17.843 -11.513 1.00 1.71 N ATOM 0 H LYS A 77 3.354 20.110 -14.366 1.00 1.33 H new ATOM 0 HA LYS A 77 3.581 18.314 -16.679 1.00 1.47 H new ATOM 0 HB2 LYS A 77 1.827 17.133 -15.469 1.00 1.46 H new ATOM 0 HB3 LYS A 77 2.950 17.737 -14.268 1.00 1.46 H new ATOM 0 HG2 LYS A 77 1.471 19.570 -13.664 1.00 1.28 H new ATOM 0 HG3 LYS A 77 0.448 19.299 -15.061 1.00 1.28 H new ATOM 0 HD2 LYS A 77 -0.799 17.780 -13.895 1.00 1.52 H new ATOM 0 HD3 LYS A 77 0.624 16.800 -13.601 1.00 1.52 H new ATOM 0 HE2 LYS A 77 0.986 17.716 -11.466 1.00 1.75 H new ATOM 0 HE3 LYS A 77 0.371 19.294 -11.918 1.00 1.75 H new ATOM 0 HZ1 LYS A 77 -1.260 18.177 -10.534 1.00 1.71 H new ATOM 0 HZ2 LYS A 77 -1.885 18.279 -12.109 1.00 1.71 H new ATOM 0 HZ3 LYS A 77 -1.256 16.808 -11.539 1.00 1.71 H new ATOM 1178 N ALA A 78 1.291 20.621 -16.759 1.00 1.29 N ATOM 1179 CA ALA A 78 0.321 21.261 -17.698 1.00 1.32 C ATOM 1180 C ALA A 78 1.062 21.774 -18.930 1.00 1.37 C ATOM 1181 O ALA A 78 0.663 21.525 -20.043 1.00 1.51 O ATOM 1182 CB ALA A 78 -0.308 22.419 -16.918 1.00 1.20 C ATOM 0 H ALA A 78 1.436 21.120 -15.881 1.00 1.29 H new ATOM 0 HA ALA A 78 -0.440 20.563 -18.046 1.00 1.32 H new ATOM 0 HB1 ALA A 78 -1.032 22.933 -17.550 1.00 1.20 H new ATOM 0 HB2 ALA A 78 -0.811 22.030 -16.033 1.00 1.20 H new ATOM 0 HB3 ALA A 78 0.471 23.119 -16.615 1.00 1.20 H new ATOM 1188 N LYS A 79 2.147 22.470 -18.738 1.00 1.32 N ATOM 1189 CA LYS A 79 2.928 22.983 -19.910 1.00 1.43 C ATOM 1190 C LYS A 79 3.549 21.809 -20.674 1.00 1.64 C ATOM 1191 O LYS A 79 3.507 21.756 -21.887 1.00 1.79 O ATOM 1192 CB LYS A 79 4.021 23.875 -19.319 1.00 1.45 C ATOM 1193 CG LYS A 79 3.400 25.160 -18.776 1.00 1.34 C ATOM 1194 CD LYS A 79 3.378 26.224 -19.875 1.00 1.38 C ATOM 1195 CE LYS A 79 3.531 27.609 -19.245 1.00 1.42 C ATOM 1196 NZ LYS A 79 2.188 27.926 -18.678 1.00 1.33 N ATOM 0 H LYS A 79 2.531 22.708 -17.823 1.00 1.32 H new ATOM 0 HA LYS A 79 2.301 23.533 -20.611 1.00 1.43 H new ATOM 0 HB2 LYS A 79 4.543 23.347 -18.521 1.00 1.45 H new ATOM 0 HB3 LYS A 79 4.762 24.112 -20.082 1.00 1.45 H new ATOM 0 HG2 LYS A 79 2.387 24.966 -18.424 1.00 1.34 H new ATOM 0 HG3 LYS A 79 3.972 25.519 -17.920 1.00 1.34 H new ATOM 0 HD2 LYS A 79 4.185 26.045 -20.586 1.00 1.38 H new ATOM 0 HD3 LYS A 79 2.443 26.167 -20.433 1.00 1.38 H new ATOM 0 HE2 LYS A 79 4.297 27.607 -18.469 1.00 1.42 H new ATOM 0 HE3 LYS A 79 3.831 28.349 -19.987 1.00 1.42 H new ATOM 0 HZ1 LYS A 79 2.231 28.832 -18.169 1.00 1.33 H new ATOM 0 HZ2 LYS A 79 1.493 27.994 -19.449 1.00 1.33 H new ATOM 0 HZ3 LYS A 79 1.902 27.173 -18.020 1.00 1.33 H new ATOM 1210 N LEU A 80 4.123 20.866 -19.963 1.00 1.70 N ATOM 1211 CA LEU A 80 4.750 19.685 -20.631 1.00 1.96 C ATOM 1212 C LEU A 80 3.706 18.872 -21.416 1.00 2.06 C ATOM 1213 O LEU A 80 4.003 18.320 -22.457 1.00 2.28 O ATOM 1214 CB LEU A 80 5.351 18.856 -19.485 1.00 2.01 C ATOM 1215 CG LEU A 80 6.111 17.658 -20.057 1.00 2.33 C ATOM 1216 CD1 LEU A 80 7.614 17.904 -19.928 1.00 2.56 C ATOM 1217 CD2 LEU A 80 5.738 16.396 -19.277 1.00 2.50 C ATOM 0 H LEU A 80 4.183 20.866 -18.945 1.00 1.70 H new ATOM 0 HA LEU A 80 5.505 19.981 -21.359 1.00 1.96 H new ATOM 0 HB2 LEU A 80 6.023 19.474 -18.890 1.00 2.01 H new ATOM 0 HB3 LEU A 80 4.560 18.512 -18.819 1.00 2.01 H new ATOM 0 HG LEU A 80 5.848 17.529 -21.107 1.00 2.33 H new ATOM 0 HD11 LEU A 80 8.158 17.052 -20.335 1.00 2.56 H new ATOM 0 HD12 LEU A 80 7.884 18.804 -20.480 1.00 2.56 H new ATOM 0 HD13 LEU A 80 7.873 18.032 -18.877 1.00 2.56 H new ATOM 0 HD21 LEU A 80 6.280 15.543 -19.685 1.00 2.50 H new ATOM 0 HD22 LEU A 80 6.002 16.526 -18.227 1.00 2.50 H new ATOM 0 HD23 LEU A 80 4.666 16.219 -19.362 1.00 2.50 H new ATOM 1229 N MET A 81 2.493 18.799 -20.928 1.00 1.96 N ATOM 1230 CA MET A 81 1.432 18.022 -21.653 1.00 2.13 C ATOM 1231 C MET A 81 0.598 18.959 -22.548 1.00 2.03 C ATOM 1232 O MET A 81 0.566 18.805 -23.751 1.00 2.17 O ATOM 1233 CB MET A 81 0.568 17.392 -20.554 1.00 2.19 C ATOM 1234 CG MET A 81 -0.337 16.319 -21.167 1.00 2.63 C ATOM 1235 SD MET A 81 -0.358 14.862 -20.093 1.00 3.38 S ATOM 1236 CE MET A 81 -0.598 13.643 -21.407 1.00 3.93 C ATOM 0 H MET A 81 2.189 19.242 -20.061 1.00 1.96 H new ATOM 0 HA MET A 81 1.855 17.263 -22.311 1.00 2.13 H new ATOM 0 HB2 MET A 81 1.203 16.951 -19.785 1.00 2.19 H new ATOM 0 HB3 MET A 81 -0.036 18.158 -20.068 1.00 2.19 H new ATOM 0 HG2 MET A 81 -1.348 16.708 -21.290 1.00 2.63 H new ATOM 0 HG3 MET A 81 0.023 16.047 -22.159 1.00 2.63 H new ATOM 0 HE1 MET A 81 -0.643 12.644 -20.973 1.00 3.93 H new ATOM 0 HE2 MET A 81 -1.530 13.853 -21.932 1.00 3.93 H new ATOM 0 HE3 MET A 81 0.234 13.696 -22.109 1.00 3.93 H new ATOM 1246 N THR A 82 -0.060 19.930 -21.964 1.00 1.85 N ATOM 1247 CA THR A 82 -0.884 20.904 -22.758 1.00 1.81 C ATOM 1248 C THR A 82 -1.493 21.962 -21.826 1.00 1.64 C ATOM 1249 O THR A 82 -2.445 21.695 -21.114 1.00 1.83 O ATOM 1250 CB THR A 82 -1.994 20.095 -23.449 1.00 2.12 C ATOM 1251 OG1 THR A 82 -2.967 20.991 -23.980 1.00 2.15 O ATOM 1252 CG2 THR A 82 -2.675 19.155 -22.453 1.00 2.28 C ATOM 0 H THR A 82 -0.063 20.094 -20.957 1.00 1.85 H new ATOM 0 HA THR A 82 -0.272 21.425 -23.494 1.00 1.81 H new ATOM 0 HB THR A 82 -1.549 19.502 -24.248 1.00 2.12 H new ATOM 0 HG1 THR A 82 -3.676 20.479 -24.423 1.00 2.15 H new ATOM 0 HG21 THR A 82 -3.457 18.591 -22.961 1.00 2.28 H new ATOM 0 HG22 THR A 82 -1.938 18.464 -22.043 1.00 2.28 H new ATOM 0 HG23 THR A 82 -3.115 19.739 -21.644 1.00 2.28 H new ATOM 1260 N PRO A 83 -0.919 23.141 -21.866 1.00 1.40 N ATOM 1261 CA PRO A 83 -1.414 24.257 -21.017 1.00 1.35 C ATOM 1262 C PRO A 83 -2.793 24.748 -21.485 1.00 1.61 C ATOM 1263 O PRO A 83 -3.402 25.581 -20.843 1.00 1.78 O ATOM 1264 CB PRO A 83 -0.351 25.340 -21.195 1.00 1.18 C ATOM 1265 CG PRO A 83 0.297 25.035 -22.507 1.00 1.21 C ATOM 1266 CD PRO A 83 0.228 23.544 -22.690 1.00 1.32 C ATOM 0 HA PRO A 83 -1.552 23.965 -19.976 1.00 1.35 H new ATOM 0 HB2 PRO A 83 -0.797 26.334 -21.197 1.00 1.18 H new ATOM 0 HB3 PRO A 83 0.375 25.318 -20.382 1.00 1.18 H new ATOM 0 HG2 PRO A 83 -0.216 25.548 -23.320 1.00 1.21 H new ATOM 0 HG3 PRO A 83 1.332 25.378 -22.516 1.00 1.21 H new ATOM 0 HD2 PRO A 83 0.082 23.276 -23.736 1.00 1.32 H new ATOM 0 HD3 PRO A 83 1.147 23.058 -22.361 1.00 1.32 H new ATOM 1274 N ASN A 84 -3.291 24.242 -22.598 1.00 1.74 N ATOM 1275 CA ASN A 84 -4.625 24.683 -23.110 1.00 2.06 C ATOM 1276 C ASN A 84 -4.669 26.214 -23.251 1.00 2.06 C ATOM 1277 O ASN A 84 -5.719 26.826 -23.196 1.00 2.41 O ATOM 1278 CB ASN A 84 -5.631 24.172 -22.074 1.00 2.46 C ATOM 1279 CG ASN A 84 -6.302 22.908 -22.606 1.00 2.78 C ATOM 1280 OD1 ASN A 84 -7.507 22.775 -22.535 1.00 3.57 O ATOM 1281 ND2 ASN A 84 -5.576 21.964 -23.143 1.00 2.55 N ATOM 0 H ASN A 84 -2.823 23.540 -23.171 1.00 1.74 H new ATOM 0 HA ASN A 84 -4.846 24.290 -24.102 1.00 2.06 H new ATOM 0 HB2 ASN A 84 -5.125 23.960 -21.132 1.00 2.46 H new ATOM 0 HB3 ASN A 84 -6.380 24.937 -21.869 1.00 2.46 H new ATOM 0 HD21 ASN A 84 -6.022 21.119 -23.501 1.00 2.55 H new ATOM 0 HD22 ASN A 84 -4.564 22.072 -23.205 1.00 2.55 H new ATOM 1288 N GLY A 85 -3.524 26.829 -23.439 1.00 1.80 N ATOM 1289 CA GLY A 85 -3.468 28.314 -23.589 1.00 2.02 C ATOM 1290 C GLY A 85 -2.678 28.683 -24.853 1.00 2.02 C ATOM 1291 O GLY A 85 -2.531 27.876 -25.754 1.00 1.94 O ATOM 0 H GLY A 85 -2.620 26.359 -23.495 1.00 1.80 H new ATOM 0 HA2 GLY A 85 -4.478 28.720 -23.649 1.00 2.02 H new ATOM 0 HA3 GLY A 85 -2.997 28.759 -22.713 1.00 2.02 H new ATOM 1295 N PRO A 86 -2.191 29.904 -24.881 1.00 2.26 N ATOM 1296 CA PRO A 86 -1.415 30.393 -26.053 1.00 2.45 C ATOM 1297 C PRO A 86 -0.002 29.789 -26.105 1.00 2.32 C ATOM 1298 O PRO A 86 0.617 29.769 -27.153 1.00 2.54 O ATOM 1299 CB PRO A 86 -1.351 31.903 -25.833 1.00 2.83 C ATOM 1300 CG PRO A 86 -1.506 32.090 -24.356 1.00 2.78 C ATOM 1301 CD PRO A 86 -2.325 30.933 -23.840 1.00 2.50 C ATOM 0 HA PRO A 86 -1.878 30.111 -26.999 1.00 2.45 H new ATOM 0 HB2 PRO A 86 -0.404 32.313 -26.185 1.00 2.83 H new ATOM 0 HB3 PRO A 86 -2.143 32.415 -26.380 1.00 2.83 H new ATOM 0 HG2 PRO A 86 -0.532 32.119 -23.868 1.00 2.78 H new ATOM 0 HG3 PRO A 86 -1.999 33.037 -24.138 1.00 2.78 H new ATOM 0 HD2 PRO A 86 -1.952 30.578 -22.879 1.00 2.50 H new ATOM 0 HD3 PRO A 86 -3.367 31.217 -23.692 1.00 2.50 H new ATOM 1309 N GLU A 87 0.507 29.292 -25.001 1.00 2.08 N ATOM 1310 CA GLU A 87 1.884 28.688 -25.008 1.00 2.14 C ATOM 1311 C GLU A 87 1.999 27.672 -26.149 1.00 2.29 C ATOM 1312 O GLU A 87 2.908 27.724 -26.955 1.00 2.65 O ATOM 1313 CB GLU A 87 2.051 27.994 -23.648 1.00 1.86 C ATOM 1314 CG GLU A 87 1.889 29.004 -22.502 1.00 1.86 C ATOM 1315 CD GLU A 87 0.598 28.705 -21.744 1.00 1.63 C ATOM 1316 OE1 GLU A 87 -0.456 28.791 -22.352 1.00 1.74 O ATOM 1317 OE2 GLU A 87 0.687 28.390 -20.567 1.00 1.55 O ATOM 0 H GLU A 87 0.033 29.277 -24.098 1.00 2.08 H new ATOM 0 HA GLU A 87 2.657 29.441 -25.162 1.00 2.14 H new ATOM 0 HB2 GLU A 87 1.312 27.199 -23.546 1.00 1.86 H new ATOM 0 HB3 GLU A 87 3.034 27.526 -23.591 1.00 1.86 H new ATOM 0 HG2 GLU A 87 2.743 28.945 -21.827 1.00 1.86 H new ATOM 0 HG3 GLU A 87 1.865 30.019 -22.898 1.00 1.86 H new ATOM 1324 N VAL A 88 1.068 26.764 -26.227 1.00 2.11 N ATOM 1325 CA VAL A 88 1.087 25.750 -27.319 1.00 2.34 C ATOM 1326 C VAL A 88 -0.095 25.970 -28.286 1.00 2.31 C ATOM 1327 O VAL A 88 -0.268 25.226 -29.231 1.00 2.45 O ATOM 1328 CB VAL A 88 0.983 24.398 -26.603 1.00 2.45 C ATOM 1329 CG1 VAL A 88 -0.486 24.020 -26.393 1.00 2.38 C ATOM 1330 CG2 VAL A 88 1.670 23.334 -27.457 1.00 2.63 C ATOM 0 H VAL A 88 0.288 26.679 -25.576 1.00 2.11 H new ATOM 0 HA VAL A 88 1.988 25.812 -27.929 1.00 2.34 H new ATOM 0 HB VAL A 88 1.467 24.466 -25.629 1.00 2.45 H new ATOM 0 HG11 VAL A 88 -0.545 23.058 -25.884 1.00 2.38 H new ATOM 0 HG12 VAL A 88 -0.975 24.782 -25.786 1.00 2.38 H new ATOM 0 HG13 VAL A 88 -0.985 23.950 -27.359 1.00 2.38 H new ATOM 0 HG21 VAL A 88 1.603 22.367 -26.958 1.00 2.63 H new ATOM 0 HG22 VAL A 88 1.180 23.275 -28.429 1.00 2.63 H new ATOM 0 HG23 VAL A 88 2.718 23.599 -27.595 1.00 2.63 H new ATOM 1340 N HIS A 89 -0.899 26.995 -28.061 1.00 2.29 N ATOM 1341 CA HIS A 89 -2.063 27.277 -28.963 1.00 2.44 C ATOM 1342 C HIS A 89 -2.995 26.050 -29.059 1.00 2.46 C ATOM 1343 O HIS A 89 -3.408 25.649 -30.131 1.00 2.63 O ATOM 1344 CB HIS A 89 -1.428 27.624 -30.321 1.00 2.71 C ATOM 1345 CG HIS A 89 -1.295 29.120 -30.459 1.00 3.04 C ATOM 1346 ND1 HIS A 89 -0.533 29.881 -29.582 1.00 3.13 N ATOM 1347 CD2 HIS A 89 -1.803 30.007 -31.376 1.00 3.44 C ATOM 1348 CE1 HIS A 89 -0.605 31.162 -29.989 1.00 3.55 C ATOM 1349 NE2 HIS A 89 -1.366 31.295 -31.076 1.00 3.75 N ATOM 0 H HIS A 89 -0.793 27.648 -27.285 1.00 2.29 H new ATOM 0 HA HIS A 89 -2.690 28.089 -28.595 1.00 2.44 H new ATOM 0 HB2 HIS A 89 -0.448 27.154 -30.405 1.00 2.71 H new ATOM 0 HB3 HIS A 89 -2.041 27.229 -31.131 1.00 2.71 H new ATOM 0 HD1 HIS A 89 -0.013 29.533 -28.776 1.00 3.13 H new ATOM 0 HD2 HIS A 89 -2.444 29.745 -32.205 1.00 3.44 H new ATOM 0 HE1 HIS A 89 -0.107 31.983 -29.495 1.00 3.55 H new ATOM 1357 N GLY A 90 -3.333 25.462 -27.934 1.00 2.52 N ATOM 1358 CA GLY A 90 -4.239 24.265 -27.937 1.00 2.81 C ATOM 1359 C GLY A 90 -4.080 23.476 -26.629 1.00 3.25 C ATOM 1360 O GLY A 90 -3.431 23.978 -25.724 1.00 3.68 O ATOM 1361 OXT GLY A 90 -4.609 22.379 -26.558 1.00 3.52 O ATOM 0 H GLY A 90 -3.020 25.760 -27.010 1.00 2.52 H new ATOM 0 HA2 GLY A 90 -5.275 24.584 -28.054 1.00 2.81 H new ATOM 0 HA3 GLY A 90 -4.005 23.625 -28.787 1.00 2.81 H new TER 1365 GLY A 90