USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 691 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 GLN : amide:sc= 1.58 K(o=2.2,f=-21!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ 179:sc= 0.589! (180deg=0) USER MOD Set 2.1: A 41 GLN : amide:sc= 0.909 K(o=3.4,f=-1.4!) USER MOD Set 2.2: A 44 SER OG : rot -112:sc= 1.95 USER MOD Set 2.3: A 45 GLN : amide:sc= 0.548 K(o=3.4,f=-5.3!) USER MOD Set 3.1: A 9 SER OG : rot -113:sc=-0.00948! USER MOD Set 3.2: A 11 THR OG1 : rot 180:sc= 1.1 USER MOD Single : A 1 GLY N :NH3+ 163:sc= 1.07 (180deg=0.825) USER MOD Single : A 2 SER OG : rot 160:sc= -0.255 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HE2:sc= -1.9! C(o=-1.9!,f=-9.8!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 105:sc= 1.21 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot -18:sc= -1.7! USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 55:sc= 0.979 USER MOD Single : A 51 SER OG : rot 35:sc= 1.13 USER MOD Single : A 58 THR OG1 : rot -129:sc= 1.06 USER MOD Single : A 59 LYS NZ :NH3+ -157:sc= 1.4 (180deg=-0.0771!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 104:sc= 0.945 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -134:sc= 0.553 (180deg=-1.62) USER MOD Single : A 79 LYS NZ :NH3+ -175:sc= 0.857 (180deg=0.641) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 81:sc= 0.63 USER MOD Single : A 84 ASN : amide:sc= -2.08! C(o=-2.1!,f=-2.8!) USER MOD Single : A 89 HIS : no HE2:sc= 0.759 K(o=0.76,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.050 -22.284 -11.041 1.00 1.87 N ATOM 2 CA GLY A 1 20.716 -22.845 -11.426 1.00 1.76 C ATOM 3 C GLY A 1 20.555 -24.257 -10.848 1.00 1.36 C ATOM 4 O GLY A 1 21.507 -25.008 -10.777 1.00 1.53 O ATOM 0 H1 GLY A 1 22.276 -21.474 -11.653 1.00 1.87 H new ATOM 0 H2 GLY A 1 22.022 -21.971 -10.049 1.00 1.87 H new ATOM 0 H3 GLY A 1 22.780 -23.016 -11.153 1.00 1.87 H new ATOM 0 HA2 GLY A 1 19.920 -22.199 -11.056 1.00 1.76 H new ATOM 0 HA3 GLY A 1 20.624 -22.875 -12.512 1.00 1.76 H new ATOM 10 N SER A 2 19.362 -24.631 -10.444 1.00 1.43 N ATOM 11 CA SER A 2 19.159 -26.005 -9.882 1.00 1.63 C ATOM 12 C SER A 2 18.852 -27.004 -11.009 1.00 1.42 C ATOM 13 O SER A 2 18.452 -26.623 -12.092 1.00 1.36 O ATOM 14 CB SER A 2 17.971 -25.907 -8.921 1.00 2.23 C ATOM 15 OG SER A 2 18.311 -26.568 -7.705 1.00 2.91 O ATOM 0 H SER A 2 18.526 -24.048 -10.479 1.00 1.43 H new ATOM 0 HA SER A 2 20.054 -26.358 -9.370 1.00 1.63 H new ATOM 0 HB2 SER A 2 17.727 -24.862 -8.728 1.00 2.23 H new ATOM 0 HB3 SER A 2 17.087 -26.364 -9.365 1.00 2.23 H new ATOM 0 HG SER A 2 17.724 -26.253 -6.986 1.00 2.91 H new ATOM 21 N MET A 3 19.036 -28.279 -10.765 1.00 1.53 N ATOM 22 CA MET A 3 18.761 -29.298 -11.835 1.00 1.45 C ATOM 23 C MET A 3 17.259 -29.638 -11.929 1.00 1.32 C ATOM 24 O MET A 3 16.829 -30.717 -11.572 1.00 1.34 O ATOM 25 CB MET A 3 19.594 -30.535 -11.459 1.00 1.63 C ATOM 26 CG MET A 3 19.131 -31.133 -10.123 1.00 1.67 C ATOM 27 SD MET A 3 20.520 -31.142 -8.961 1.00 1.97 S ATOM 28 CE MET A 3 19.893 -32.425 -7.848 1.00 2.59 C ATOM 0 H MET A 3 19.363 -28.660 -9.877 1.00 1.53 H new ATOM 0 HA MET A 3 19.035 -28.917 -12.819 1.00 1.45 H new ATOM 0 HB2 MET A 3 19.510 -31.286 -12.245 1.00 1.63 H new ATOM 0 HB3 MET A 3 20.647 -30.261 -11.392 1.00 1.63 H new ATOM 0 HG2 MET A 3 18.305 -30.549 -9.716 1.00 1.67 H new ATOM 0 HG3 MET A 3 18.761 -32.147 -10.274 1.00 1.67 H new ATOM 0 HE1 MET A 3 20.610 -32.591 -7.044 1.00 2.59 H new ATOM 0 HE2 MET A 3 18.940 -32.106 -7.425 1.00 2.59 H new ATOM 0 HE3 MET A 3 19.751 -33.352 -8.404 1.00 2.59 H new ATOM 38 N SER A 4 16.474 -28.721 -12.434 1.00 1.31 N ATOM 39 CA SER A 4 14.991 -28.950 -12.597 1.00 1.34 C ATOM 40 C SER A 4 14.344 -29.560 -11.337 1.00 1.27 C ATOM 41 O SER A 4 13.614 -30.532 -11.419 1.00 1.31 O ATOM 42 CB SER A 4 14.861 -29.909 -13.787 1.00 1.48 C ATOM 43 OG SER A 4 14.165 -29.252 -14.842 1.00 2.00 O ATOM 0 H SER A 4 16.796 -27.805 -12.748 1.00 1.31 H new ATOM 0 HA SER A 4 14.471 -28.006 -12.759 1.00 1.34 H new ATOM 0 HB2 SER A 4 15.848 -30.223 -14.126 1.00 1.48 H new ATOM 0 HB3 SER A 4 14.325 -30.810 -13.487 1.00 1.48 H new ATOM 0 HG SER A 4 14.080 -29.860 -15.606 1.00 2.00 H new ATOM 49 N ILE A 5 14.580 -28.992 -10.182 1.00 1.25 N ATOM 50 CA ILE A 5 13.954 -29.537 -8.938 1.00 1.27 C ATOM 51 C ILE A 5 12.714 -28.706 -8.548 1.00 1.28 C ATOM 52 O ILE A 5 12.230 -27.904 -9.326 1.00 1.28 O ATOM 53 CB ILE A 5 15.046 -29.477 -7.847 1.00 1.40 C ATOM 54 CG1 ILE A 5 15.738 -28.105 -7.790 1.00 1.49 C ATOM 55 CG2 ILE A 5 16.105 -30.541 -8.134 1.00 1.45 C ATOM 56 CD1 ILE A 5 14.738 -27.015 -7.409 1.00 1.55 C ATOM 0 H ILE A 5 15.177 -28.177 -10.046 1.00 1.25 H new ATOM 0 HA ILE A 5 13.604 -30.560 -9.076 1.00 1.27 H new ATOM 0 HB ILE A 5 14.558 -29.653 -6.888 1.00 1.40 H new ATOM 0 HG12 ILE A 5 16.550 -28.131 -7.064 1.00 1.49 H new ATOM 0 HG13 ILE A 5 16.183 -27.876 -8.758 1.00 1.49 H new ATOM 0 HG21 ILE A 5 16.878 -30.502 -7.366 1.00 1.45 H new ATOM 0 HG22 ILE A 5 15.640 -31.527 -8.131 1.00 1.45 H new ATOM 0 HG23 ILE A 5 16.553 -30.354 -9.110 1.00 1.45 H new ATOM 0 HD11 ILE A 5 15.246 -26.051 -7.374 1.00 1.55 H new ATOM 0 HD12 ILE A 5 13.940 -26.978 -8.151 1.00 1.55 H new ATOM 0 HD13 ILE A 5 14.313 -27.237 -6.430 1.00 1.55 H new ATOM 68 N MET A 6 12.195 -28.903 -7.354 1.00 1.34 N ATOM 69 CA MET A 6 10.982 -28.142 -6.900 1.00 1.41 C ATOM 70 C MET A 6 9.783 -28.415 -7.834 1.00 1.28 C ATOM 71 O MET A 6 9.704 -29.457 -8.456 1.00 1.17 O ATOM 72 CB MET A 6 11.396 -26.661 -6.929 1.00 1.56 C ATOM 73 CG MET A 6 11.202 -26.045 -5.541 1.00 1.71 C ATOM 74 SD MET A 6 11.503 -24.262 -5.627 1.00 1.96 S ATOM 75 CE MET A 6 9.800 -23.716 -5.344 1.00 2.44 C ATOM 0 H MET A 6 12.564 -29.564 -6.670 1.00 1.34 H new ATOM 0 HA MET A 6 10.659 -28.443 -5.903 1.00 1.41 H new ATOM 0 HB2 MET A 6 12.438 -26.570 -7.235 1.00 1.56 H new ATOM 0 HB3 MET A 6 10.799 -26.121 -7.664 1.00 1.56 H new ATOM 0 HG2 MET A 6 10.190 -26.237 -5.184 1.00 1.71 H new ATOM 0 HG3 MET A 6 11.885 -26.506 -4.828 1.00 1.71 H new ATOM 0 HE1 MET A 6 9.760 -22.627 -5.358 1.00 2.44 H new ATOM 0 HE2 MET A 6 9.156 -24.113 -6.128 1.00 2.44 H new ATOM 0 HE3 MET A 6 9.458 -24.079 -4.375 1.00 2.44 H new ATOM 85 N ASP A 7 8.847 -27.493 -7.919 1.00 1.35 N ATOM 86 CA ASP A 7 7.643 -27.685 -8.795 1.00 1.29 C ATOM 87 C ASP A 7 6.894 -28.992 -8.439 1.00 1.16 C ATOM 88 O ASP A 7 6.222 -29.577 -9.265 1.00 1.13 O ATOM 89 CB ASP A 7 8.203 -27.723 -10.225 1.00 1.30 C ATOM 90 CG ASP A 7 7.994 -26.370 -10.910 1.00 1.50 C ATOM 91 OD1 ASP A 7 8.239 -25.357 -10.272 1.00 2.13 O ATOM 92 OD2 ASP A 7 7.599 -26.369 -12.064 1.00 1.70 O ATOM 0 H ASP A 7 8.868 -26.607 -7.413 1.00 1.35 H new ATOM 0 HA ASP A 7 6.910 -26.889 -8.669 1.00 1.29 H new ATOM 0 HB2 ASP A 7 9.265 -27.967 -10.201 1.00 1.30 H new ATOM 0 HB3 ASP A 7 7.708 -28.509 -10.796 1.00 1.30 H new ATOM 97 N HIS A 8 7.000 -29.439 -7.204 1.00 1.18 N ATOM 98 CA HIS A 8 6.299 -30.699 -6.768 1.00 1.12 C ATOM 99 C HIS A 8 4.773 -30.578 -6.926 1.00 1.14 C ATOM 100 O HIS A 8 4.076 -31.558 -7.111 1.00 1.18 O ATOM 101 CB HIS A 8 6.675 -30.849 -5.287 1.00 1.20 C ATOM 102 CG HIS A 8 6.501 -32.277 -4.841 1.00 1.21 C ATOM 103 ND1 HIS A 8 7.491 -32.955 -4.151 1.00 1.28 N ATOM 104 CD2 HIS A 8 5.458 -33.160 -4.961 1.00 1.26 C ATOM 105 CE1 HIS A 8 7.029 -34.189 -3.882 1.00 1.35 C ATOM 106 NE2 HIS A 8 5.792 -34.367 -4.354 1.00 1.35 N ATOM 0 H HIS A 8 7.546 -28.982 -6.474 1.00 1.18 H new ATOM 0 HA HIS A 8 6.595 -31.558 -7.370 1.00 1.12 H new ATOM 0 HB2 HIS A 8 7.708 -30.538 -5.135 1.00 1.20 H new ATOM 0 HB3 HIS A 8 6.052 -30.193 -4.679 1.00 1.20 H new ATOM 0 HD1 HIS A 8 8.406 -32.585 -3.893 1.00 1.28 H new ATOM 0 HD2 HIS A 8 4.519 -32.950 -5.452 1.00 1.26 H new ATOM 0 HE1 HIS A 8 7.589 -34.943 -3.350 1.00 1.35 H new ATOM 114 N SER A 9 4.255 -29.383 -6.843 1.00 1.19 N ATOM 115 CA SER A 9 2.782 -29.174 -6.976 1.00 1.28 C ATOM 116 C SER A 9 2.473 -27.681 -7.161 1.00 1.31 C ATOM 117 O SER A 9 3.205 -26.840 -6.673 1.00 1.31 O ATOM 118 CB SER A 9 2.192 -29.677 -5.657 1.00 1.42 C ATOM 119 OG SER A 9 0.848 -29.227 -5.543 1.00 1.90 O ATOM 0 H SER A 9 4.795 -28.532 -6.687 1.00 1.19 H new ATOM 0 HA SER A 9 2.368 -29.697 -7.838 1.00 1.28 H new ATOM 0 HB2 SER A 9 2.228 -30.766 -5.621 1.00 1.42 H new ATOM 0 HB3 SER A 9 2.783 -29.311 -4.818 1.00 1.42 H new ATOM 0 HG SER A 9 0.780 -28.583 -4.807 1.00 1.90 H new ATOM 125 N PRO A 10 1.386 -27.392 -7.840 1.00 1.39 N ATOM 126 CA PRO A 10 0.986 -25.973 -8.060 1.00 1.52 C ATOM 127 C PRO A 10 0.567 -25.318 -6.731 1.00 1.49 C ATOM 128 O PRO A 10 0.532 -24.107 -6.607 1.00 1.59 O ATOM 129 CB PRO A 10 -0.186 -26.079 -9.034 1.00 1.67 C ATOM 130 CG PRO A 10 -0.733 -27.455 -8.826 1.00 1.60 C ATOM 131 CD PRO A 10 0.436 -28.330 -8.457 1.00 1.46 C ATOM 0 HA PRO A 10 1.791 -25.350 -8.450 1.00 1.52 H new ATOM 0 HB2 PRO A 10 -0.940 -25.319 -8.830 1.00 1.67 H new ATOM 0 HB3 PRO A 10 0.141 -25.935 -10.064 1.00 1.67 H new ATOM 0 HG2 PRO A 10 -1.484 -27.458 -8.036 1.00 1.60 H new ATOM 0 HG3 PRO A 10 -1.220 -27.820 -9.731 1.00 1.60 H new ATOM 0 HD2 PRO A 10 0.144 -29.119 -7.764 1.00 1.46 H new ATOM 0 HD3 PRO A 10 0.865 -28.817 -9.333 1.00 1.46 H new ATOM 139 N THR A 11 0.273 -26.117 -5.734 1.00 1.45 N ATOM 140 CA THR A 11 -0.123 -25.574 -4.398 1.00 1.52 C ATOM 141 C THR A 11 1.003 -24.697 -3.835 1.00 1.49 C ATOM 142 O THR A 11 0.784 -23.560 -3.459 1.00 1.50 O ATOM 143 CB THR A 11 -0.344 -26.810 -3.514 1.00 1.59 C ATOM 144 OG1 THR A 11 0.689 -27.761 -3.753 1.00 1.55 O ATOM 145 CG2 THR A 11 -1.698 -27.442 -3.840 1.00 1.70 C ATOM 0 H THR A 11 0.291 -27.135 -5.791 1.00 1.45 H new ATOM 0 HA THR A 11 -1.016 -24.951 -4.449 1.00 1.52 H new ATOM 0 HB THR A 11 -0.326 -26.508 -2.467 1.00 1.59 H new ATOM 0 HG1 THR A 11 0.546 -28.548 -3.187 1.00 1.55 H new ATOM 0 HG21 THR A 11 -1.851 -28.319 -3.211 1.00 1.70 H new ATOM 0 HG22 THR A 11 -2.492 -26.718 -3.654 1.00 1.70 H new ATOM 0 HG23 THR A 11 -1.718 -27.740 -4.888 1.00 1.70 H new ATOM 153 N THR A 12 2.211 -25.208 -3.797 1.00 1.48 N ATOM 154 CA THR A 12 3.362 -24.392 -3.281 1.00 1.50 C ATOM 155 C THR A 12 3.554 -23.144 -4.156 1.00 1.44 C ATOM 156 O THR A 12 3.943 -22.085 -3.685 1.00 1.49 O ATOM 157 CB THR A 12 4.586 -25.318 -3.344 1.00 1.55 C ATOM 158 OG1 THR A 12 5.603 -24.791 -2.509 1.00 1.64 O ATOM 159 CG2 THR A 12 5.110 -25.426 -4.779 1.00 1.59 C ATOM 0 H THR A 12 2.452 -26.152 -4.100 1.00 1.48 H new ATOM 0 HA THR A 12 3.196 -24.036 -2.264 1.00 1.50 H new ATOM 0 HB THR A 12 4.297 -26.313 -3.006 1.00 1.55 H new ATOM 0 HG1 THR A 12 6.389 -25.376 -2.541 1.00 1.64 H new ATOM 0 HG21 THR A 12 5.977 -26.086 -4.801 1.00 1.59 H new ATOM 0 HG22 THR A 12 4.329 -25.831 -5.422 1.00 1.59 H new ATOM 0 HG23 THR A 12 5.398 -24.437 -5.137 1.00 1.59 H new ATOM 167 N GLY A 13 3.245 -23.258 -5.423 1.00 1.39 N ATOM 168 CA GLY A 13 3.361 -22.090 -6.343 1.00 1.39 C ATOM 169 C GLY A 13 2.259 -21.100 -5.989 1.00 1.35 C ATOM 170 O GLY A 13 2.522 -19.945 -5.712 1.00 1.35 O ATOM 0 H GLY A 13 2.915 -24.118 -5.861 1.00 1.39 H new ATOM 0 HA2 GLY A 13 4.340 -21.622 -6.243 1.00 1.39 H new ATOM 0 HA3 GLY A 13 3.266 -22.411 -7.380 1.00 1.39 H new ATOM 174 N VAL A 14 1.028 -21.556 -5.962 1.00 1.37 N ATOM 175 CA VAL A 14 -0.106 -20.651 -5.588 1.00 1.38 C ATOM 176 C VAL A 14 0.180 -20.019 -4.218 1.00 1.35 C ATOM 177 O VAL A 14 -0.069 -18.850 -4.001 1.00 1.35 O ATOM 178 CB VAL A 14 -1.346 -21.556 -5.534 1.00 1.48 C ATOM 179 CG1 VAL A 14 -2.496 -20.832 -4.825 1.00 1.63 C ATOM 180 CG2 VAL A 14 -1.783 -21.905 -6.959 1.00 1.61 C ATOM 0 H VAL A 14 0.760 -22.515 -6.183 1.00 1.37 H new ATOM 0 HA VAL A 14 -0.248 -19.834 -6.296 1.00 1.38 H new ATOM 0 HB VAL A 14 -1.097 -22.464 -4.985 1.00 1.48 H new ATOM 0 HG11 VAL A 14 -3.370 -21.482 -4.792 1.00 1.63 H new ATOM 0 HG12 VAL A 14 -2.194 -20.578 -3.809 1.00 1.63 H new ATOM 0 HG13 VAL A 14 -2.742 -19.920 -5.369 1.00 1.63 H new ATOM 0 HG21 VAL A 14 -2.663 -22.547 -6.923 1.00 1.61 H new ATOM 0 HG22 VAL A 14 -2.024 -20.990 -7.500 1.00 1.61 H new ATOM 0 HG23 VAL A 14 -0.974 -22.427 -7.470 1.00 1.61 H new ATOM 190 N VAL A 15 0.729 -20.780 -3.303 1.00 1.37 N ATOM 191 CA VAL A 15 1.059 -20.209 -1.959 1.00 1.41 C ATOM 192 C VAL A 15 2.179 -19.174 -2.105 1.00 1.38 C ATOM 193 O VAL A 15 2.180 -18.141 -1.457 1.00 1.44 O ATOM 194 CB VAL A 15 1.511 -21.406 -1.104 1.00 1.46 C ATOM 195 CG1 VAL A 15 2.241 -20.906 0.147 1.00 1.59 C ATOM 196 CG2 VAL A 15 0.286 -22.220 -0.672 1.00 1.56 C ATOM 0 H VAL A 15 0.962 -21.765 -3.427 1.00 1.37 H new ATOM 0 HA VAL A 15 0.212 -19.700 -1.499 1.00 1.41 H new ATOM 0 HB VAL A 15 2.182 -22.030 -1.695 1.00 1.46 H new ATOM 0 HG11 VAL A 15 2.558 -21.758 0.748 1.00 1.59 H new ATOM 0 HG12 VAL A 15 3.115 -20.325 -0.149 1.00 1.59 H new ATOM 0 HG13 VAL A 15 1.570 -20.278 0.733 1.00 1.59 H new ATOM 0 HG21 VAL A 15 0.607 -23.067 -0.067 1.00 1.56 H new ATOM 0 HG22 VAL A 15 -0.382 -21.589 -0.087 1.00 1.56 H new ATOM 0 HG23 VAL A 15 -0.239 -22.584 -1.555 1.00 1.56 H new ATOM 206 N THR A 16 3.122 -19.435 -2.970 1.00 1.34 N ATOM 207 CA THR A 16 4.238 -18.464 -3.180 1.00 1.37 C ATOM 208 C THR A 16 3.700 -17.155 -3.761 1.00 1.37 C ATOM 209 O THR A 16 4.071 -16.081 -3.327 1.00 1.37 O ATOM 210 CB THR A 16 5.210 -19.138 -4.158 1.00 1.38 C ATOM 211 OG1 THR A 16 5.706 -20.341 -3.583 1.00 1.59 O ATOM 212 CG2 THR A 16 6.383 -18.201 -4.435 1.00 2.00 C ATOM 0 H THR A 16 3.169 -20.279 -3.541 1.00 1.34 H new ATOM 0 HA THR A 16 4.736 -18.214 -2.243 1.00 1.37 H new ATOM 0 HB THR A 16 4.687 -19.362 -5.088 1.00 1.38 H new ATOM 0 HG1 THR A 16 5.275 -21.110 -4.011 1.00 1.59 H new ATOM 0 HG21 THR A 16 7.074 -18.679 -5.130 1.00 2.00 H new ATOM 0 HG22 THR A 16 6.013 -17.274 -4.872 1.00 2.00 H new ATOM 0 HG23 THR A 16 6.901 -17.981 -3.502 1.00 2.00 H new ATOM 220 N VAL A 17 2.825 -17.227 -4.728 1.00 1.41 N ATOM 221 CA VAL A 17 2.281 -15.962 -5.314 1.00 1.45 C ATOM 222 C VAL A 17 1.328 -15.264 -4.326 1.00 1.43 C ATOM 223 O VAL A 17 1.346 -14.054 -4.232 1.00 1.45 O ATOM 224 CB VAL A 17 1.578 -16.303 -6.645 1.00 1.58 C ATOM 225 CG1 VAL A 17 2.611 -16.314 -7.773 1.00 1.98 C ATOM 226 CG2 VAL A 17 0.894 -17.668 -6.596 1.00 1.23 C ATOM 0 H VAL A 17 2.466 -18.091 -5.134 1.00 1.41 H new ATOM 0 HA VAL A 17 3.093 -15.262 -5.509 1.00 1.45 H new ATOM 0 HB VAL A 17 0.815 -15.544 -6.820 1.00 1.58 H new ATOM 0 HG11 VAL A 17 2.118 -16.555 -8.715 1.00 1.98 H new ATOM 0 HG12 VAL A 17 3.078 -15.332 -7.848 1.00 1.98 H new ATOM 0 HG13 VAL A 17 3.374 -17.063 -7.561 1.00 1.98 H new ATOM 0 HG21 VAL A 17 0.412 -17.868 -7.553 1.00 1.23 H new ATOM 0 HG22 VAL A 17 1.637 -18.440 -6.396 1.00 1.23 H new ATOM 0 HG23 VAL A 17 0.145 -17.671 -5.804 1.00 1.23 H new ATOM 236 N ILE A 18 0.521 -15.980 -3.563 1.00 1.44 N ATOM 237 CA ILE A 18 -0.367 -15.265 -2.590 1.00 1.48 C ATOM 238 C ILE A 18 0.483 -14.656 -1.475 1.00 1.43 C ATOM 239 O ILE A 18 0.192 -13.582 -0.991 1.00 1.46 O ATOM 240 CB ILE A 18 -1.377 -16.292 -2.048 1.00 1.56 C ATOM 241 CG1 ILE A 18 -0.665 -17.433 -1.316 1.00 1.52 C ATOM 242 CG2 ILE A 18 -2.202 -16.870 -3.199 1.00 1.64 C ATOM 243 CD1 ILE A 18 -1.603 -18.022 -0.260 1.00 1.92 C ATOM 0 H ILE A 18 0.443 -16.997 -3.573 1.00 1.44 H new ATOM 0 HA ILE A 18 -0.907 -14.446 -3.065 1.00 1.48 H new ATOM 0 HB ILE A 18 -2.032 -15.779 -1.343 1.00 1.56 H new ATOM 0 HG12 ILE A 18 -0.367 -18.205 -2.025 1.00 1.52 H new ATOM 0 HG13 ILE A 18 0.246 -17.065 -0.844 1.00 1.52 H new ATOM 0 HG21 ILE A 18 -2.914 -17.596 -2.807 1.00 1.64 H new ATOM 0 HG22 ILE A 18 -2.741 -16.066 -3.700 1.00 1.64 H new ATOM 0 HG23 ILE A 18 -1.539 -17.361 -3.912 1.00 1.64 H new ATOM 0 HD11 ILE A 18 -1.098 -18.835 0.262 1.00 1.92 H new ATOM 0 HD12 ILE A 18 -1.879 -17.247 0.455 1.00 1.92 H new ATOM 0 HD13 ILE A 18 -2.501 -18.405 -0.744 1.00 1.92 H new ATOM 255 N VAL A 19 1.556 -15.301 -1.099 1.00 1.41 N ATOM 256 CA VAL A 19 2.443 -14.711 -0.049 1.00 1.43 C ATOM 257 C VAL A 19 3.142 -13.484 -0.644 1.00 1.40 C ATOM 258 O VAL A 19 3.205 -12.436 -0.030 1.00 1.44 O ATOM 259 CB VAL A 19 3.451 -15.809 0.318 1.00 1.44 C ATOM 260 CG1 VAL A 19 4.608 -15.203 1.119 1.00 1.57 C ATOM 261 CG2 VAL A 19 2.761 -16.875 1.174 1.00 1.53 C ATOM 0 H VAL A 19 1.856 -16.203 -1.469 1.00 1.41 H new ATOM 0 HA VAL A 19 1.900 -14.388 0.840 1.00 1.43 H new ATOM 0 HB VAL A 19 3.834 -16.260 -0.598 1.00 1.44 H new ATOM 0 HG11 VAL A 19 5.321 -15.986 1.377 1.00 1.57 H new ATOM 0 HG12 VAL A 19 5.107 -14.442 0.519 1.00 1.57 H new ATOM 0 HG13 VAL A 19 4.221 -14.750 2.031 1.00 1.57 H new ATOM 0 HG21 VAL A 19 3.478 -17.654 1.433 1.00 1.53 H new ATOM 0 HG22 VAL A 19 2.377 -16.417 2.086 1.00 1.53 H new ATOM 0 HG23 VAL A 19 1.936 -17.314 0.613 1.00 1.53 H new ATOM 271 N ILE A 20 3.636 -13.598 -1.856 1.00 1.39 N ATOM 272 CA ILE A 20 4.295 -12.424 -2.510 1.00 1.43 C ATOM 273 C ILE A 20 3.259 -11.313 -2.702 1.00 1.42 C ATOM 274 O ILE A 20 3.499 -10.165 -2.375 1.00 1.46 O ATOM 275 CB ILE A 20 4.813 -12.935 -3.863 1.00 1.49 C ATOM 276 CG1 ILE A 20 5.964 -13.935 -3.636 1.00 1.52 C ATOM 277 CG2 ILE A 20 5.308 -11.755 -4.713 1.00 1.61 C ATOM 278 CD1 ILE A 20 7.322 -13.215 -3.637 1.00 1.70 C ATOM 0 H ILE A 20 3.611 -14.450 -2.417 1.00 1.39 H new ATOM 0 HA ILE A 20 5.111 -12.014 -1.914 1.00 1.43 H new ATOM 0 HB ILE A 20 4.001 -13.437 -4.390 1.00 1.49 H new ATOM 0 HG12 ILE A 20 5.822 -14.451 -2.686 1.00 1.52 H new ATOM 0 HG13 ILE A 20 5.950 -14.695 -4.417 1.00 1.52 H new ATOM 0 HG21 ILE A 20 5.674 -12.125 -5.671 1.00 1.61 H new ATOM 0 HG22 ILE A 20 4.487 -11.059 -4.883 1.00 1.61 H new ATOM 0 HG23 ILE A 20 6.115 -11.243 -4.190 1.00 1.61 H new ATOM 0 HD11 ILE A 20 8.119 -13.941 -3.475 1.00 1.70 H new ATOM 0 HD12 ILE A 20 7.471 -12.721 -4.597 1.00 1.70 H new ATOM 0 HD13 ILE A 20 7.341 -12.472 -2.840 1.00 1.70 H new ATOM 290 N LEU A 21 2.099 -11.653 -3.206 1.00 1.42 N ATOM 291 CA LEU A 21 1.030 -10.622 -3.396 1.00 1.46 C ATOM 292 C LEU A 21 0.623 -10.063 -2.023 1.00 1.44 C ATOM 293 O LEU A 21 0.489 -8.864 -1.855 1.00 1.46 O ATOM 294 CB LEU A 21 -0.124 -11.344 -4.132 1.00 1.55 C ATOM 295 CG LEU A 21 -1.373 -11.492 -3.248 1.00 1.61 C ATOM 296 CD1 LEU A 21 -2.116 -10.157 -3.168 1.00 1.71 C ATOM 297 CD2 LEU A 21 -2.304 -12.539 -3.863 1.00 1.70 C ATOM 0 H LEU A 21 1.845 -12.598 -3.494 1.00 1.42 H new ATOM 0 HA LEU A 21 1.351 -9.764 -3.986 1.00 1.46 H new ATOM 0 HB2 LEU A 21 -0.382 -10.788 -5.033 1.00 1.55 H new ATOM 0 HB3 LEU A 21 0.212 -12.330 -4.452 1.00 1.55 H new ATOM 0 HG LEU A 21 -1.068 -11.800 -2.248 1.00 1.61 H new ATOM 0 HD11 LEU A 21 -3.000 -10.270 -2.540 1.00 1.71 H new ATOM 0 HD12 LEU A 21 -1.459 -9.400 -2.738 1.00 1.71 H new ATOM 0 HD13 LEU A 21 -2.419 -9.849 -4.169 1.00 1.71 H new ATOM 0 HD21 LEU A 21 -3.192 -12.648 -3.240 1.00 1.70 H new ATOM 0 HD22 LEU A 21 -2.600 -12.221 -4.863 1.00 1.70 H new ATOM 0 HD23 LEU A 21 -1.785 -13.496 -3.925 1.00 1.70 H new ATOM 309 N ILE A 22 0.459 -10.909 -1.030 1.00 1.43 N ATOM 310 CA ILE A 22 0.102 -10.384 0.326 1.00 1.47 C ATOM 311 C ILE A 22 1.233 -9.479 0.824 1.00 1.42 C ATOM 312 O ILE A 22 1.000 -8.444 1.421 1.00 1.44 O ATOM 313 CB ILE A 22 -0.064 -11.620 1.226 1.00 1.54 C ATOM 314 CG1 ILE A 22 -1.455 -12.236 1.005 1.00 1.67 C ATOM 315 CG2 ILE A 22 0.083 -11.222 2.700 1.00 1.65 C ATOM 316 CD1 ILE A 22 -2.542 -11.275 1.499 1.00 1.84 C ATOM 0 H ILE A 22 0.555 -11.922 -1.099 1.00 1.43 H new ATOM 0 HA ILE A 22 -0.813 -9.791 0.321 1.00 1.47 H new ATOM 0 HB ILE A 22 0.706 -12.348 0.971 1.00 1.54 H new ATOM 0 HG12 ILE A 22 -1.602 -12.450 -0.054 1.00 1.67 H new ATOM 0 HG13 ILE A 22 -1.529 -13.185 1.536 1.00 1.67 H new ATOM 0 HG21 ILE A 22 -0.036 -12.104 3.329 1.00 1.65 H new ATOM 0 HG22 ILE A 22 1.071 -10.791 2.864 1.00 1.65 H new ATOM 0 HG23 ILE A 22 -0.681 -10.488 2.957 1.00 1.65 H new ATOM 0 HD11 ILE A 22 -3.523 -11.722 1.338 1.00 1.84 H new ATOM 0 HD12 ILE A 22 -2.401 -11.083 2.563 1.00 1.84 H new ATOM 0 HD13 ILE A 22 -2.475 -10.337 0.949 1.00 1.84 H new ATOM 328 N ALA A 23 2.458 -9.858 0.563 1.00 1.40 N ATOM 329 CA ALA A 23 3.616 -9.022 1.002 1.00 1.41 C ATOM 330 C ALA A 23 3.632 -7.680 0.254 1.00 1.38 C ATOM 331 O ALA A 23 3.703 -6.633 0.871 1.00 1.39 O ATOM 332 CB ALA A 23 4.861 -9.851 0.674 1.00 1.45 C ATOM 0 H ALA A 23 2.707 -10.712 0.064 1.00 1.40 H new ATOM 0 HA ALA A 23 3.564 -8.779 2.063 1.00 1.41 H new ATOM 0 HB1 ALA A 23 5.754 -9.299 0.969 1.00 1.45 H new ATOM 0 HB2 ALA A 23 4.822 -10.796 1.216 1.00 1.45 H new ATOM 0 HB3 ALA A 23 4.895 -10.049 -0.397 1.00 1.45 H new ATOM 338 N ILE A 24 3.547 -7.684 -1.061 1.00 1.39 N ATOM 339 CA ILE A 24 3.544 -6.380 -1.794 1.00 1.41 C ATOM 340 C ILE A 24 2.314 -5.568 -1.376 1.00 1.38 C ATOM 341 O ILE A 24 2.380 -4.363 -1.214 1.00 1.38 O ATOM 342 CB ILE A 24 3.516 -6.722 -3.293 1.00 1.48 C ATOM 343 CG1 ILE A 24 2.245 -7.495 -3.657 1.00 1.48 C ATOM 344 CG2 ILE A 24 4.736 -7.570 -3.647 1.00 1.55 C ATOM 345 CD1 ILE A 24 2.084 -7.521 -5.179 1.00 1.78 C ATOM 0 H ILE A 24 3.481 -8.518 -1.644 1.00 1.39 H new ATOM 0 HA ILE A 24 4.422 -5.775 -1.567 1.00 1.41 H new ATOM 0 HB ILE A 24 3.530 -5.789 -3.856 1.00 1.48 H new ATOM 0 HG12 ILE A 24 2.301 -8.512 -3.269 1.00 1.48 H new ATOM 0 HG13 ILE A 24 1.376 -7.025 -3.196 1.00 1.48 H new ATOM 0 HG21 ILE A 24 4.715 -7.812 -4.710 1.00 1.55 H new ATOM 0 HG22 ILE A 24 5.645 -7.013 -3.419 1.00 1.55 H new ATOM 0 HG23 ILE A 24 4.720 -8.491 -3.065 1.00 1.55 H new ATOM 0 HD11 ILE A 24 1.180 -8.071 -5.440 1.00 1.78 H new ATOM 0 HD12 ILE A 24 2.009 -6.500 -5.554 1.00 1.78 H new ATOM 0 HD13 ILE A 24 2.948 -8.010 -5.628 1.00 1.78 H new ATOM 357 N ALA A 25 1.200 -6.227 -1.161 1.00 1.41 N ATOM 358 CA ALA A 25 -0.026 -5.499 -0.714 1.00 1.45 C ATOM 359 C ALA A 25 0.217 -4.912 0.676 1.00 1.42 C ATOM 360 O ALA A 25 -0.051 -3.748 0.924 1.00 1.44 O ATOM 361 CB ALA A 25 -1.137 -6.553 -0.683 1.00 1.54 C ATOM 0 H ALA A 25 1.089 -7.234 -1.276 1.00 1.41 H new ATOM 0 HA ALA A 25 -0.292 -4.672 -1.373 1.00 1.45 H new ATOM 0 HB1 ALA A 25 -2.070 -6.089 -0.363 1.00 1.54 H new ATOM 0 HB2 ALA A 25 -1.266 -6.976 -1.679 1.00 1.54 H new ATOM 0 HB3 ALA A 25 -0.867 -7.345 0.015 1.00 1.54 H new ATOM 367 N ALA A 26 0.757 -5.696 1.573 1.00 1.43 N ATOM 368 CA ALA A 26 1.055 -5.170 2.939 1.00 1.46 C ATOM 369 C ALA A 26 2.065 -4.027 2.815 1.00 1.39 C ATOM 370 O ALA A 26 1.916 -2.990 3.431 1.00 1.40 O ATOM 371 CB ALA A 26 1.646 -6.348 3.720 1.00 1.52 C ATOM 0 H ALA A 26 1.004 -6.674 1.420 1.00 1.43 H new ATOM 0 HA ALA A 26 0.172 -4.780 3.446 1.00 1.46 H new ATOM 0 HB1 ALA A 26 1.887 -6.028 4.734 1.00 1.52 H new ATOM 0 HB2 ALA A 26 0.920 -7.160 3.759 1.00 1.52 H new ATOM 0 HB3 ALA A 26 2.552 -6.695 3.224 1.00 1.52 H new ATOM 377 N LEU A 27 3.073 -4.197 1.991 1.00 1.36 N ATOM 378 CA LEU A 27 4.070 -3.108 1.792 1.00 1.35 C ATOM 379 C LEU A 27 3.351 -1.868 1.245 1.00 1.31 C ATOM 380 O LEU A 27 3.515 -0.774 1.751 1.00 1.30 O ATOM 381 CB LEU A 27 5.068 -3.663 0.770 1.00 1.40 C ATOM 382 CG LEU A 27 6.031 -2.555 0.338 1.00 1.45 C ATOM 383 CD1 LEU A 27 7.461 -3.089 0.350 1.00 1.68 C ATOM 384 CD2 LEU A 27 5.676 -2.091 -1.074 1.00 1.59 C ATOM 0 H LEU A 27 3.244 -5.045 1.450 1.00 1.36 H new ATOM 0 HA LEU A 27 4.574 -2.813 2.713 1.00 1.35 H new ATOM 0 HB2 LEU A 27 5.625 -4.493 1.204 1.00 1.40 H new ATOM 0 HB3 LEU A 27 4.536 -4.055 -0.097 1.00 1.40 H new ATOM 0 HG LEU A 27 5.949 -1.716 1.029 1.00 1.45 H new ATOM 0 HD11 LEU A 27 8.147 -2.300 0.042 1.00 1.68 H new ATOM 0 HD12 LEU A 27 7.717 -3.420 1.356 1.00 1.68 H new ATOM 0 HD13 LEU A 27 7.542 -3.929 -0.340 1.00 1.68 H new ATOM 0 HD21 LEU A 27 6.362 -1.302 -1.381 1.00 1.59 H new ATOM 0 HD22 LEU A 27 5.757 -2.931 -1.764 1.00 1.59 H new ATOM 0 HD23 LEU A 27 4.655 -1.709 -1.086 1.00 1.59 H new ATOM 396 N GLY A 28 2.531 -2.040 0.231 1.00 1.32 N ATOM 397 CA GLY A 28 1.773 -0.882 -0.336 1.00 1.34 C ATOM 398 C GLY A 28 0.933 -0.249 0.776 1.00 1.33 C ATOM 399 O GLY A 28 0.933 0.956 0.957 1.00 1.33 O ATOM 0 H GLY A 28 2.356 -2.935 -0.226 1.00 1.32 H new ATOM 0 HA2 GLY A 28 2.462 -0.148 -0.753 1.00 1.34 H new ATOM 0 HA3 GLY A 28 1.131 -1.215 -1.151 1.00 1.34 H new ATOM 403 N ALA A 29 0.236 -1.058 1.543 1.00 1.37 N ATOM 404 CA ALA A 29 -0.583 -0.506 2.664 1.00 1.43 C ATOM 405 C ALA A 29 0.331 0.201 3.666 1.00 1.36 C ATOM 406 O ALA A 29 0.040 1.289 4.128 1.00 1.38 O ATOM 407 CB ALA A 29 -1.268 -1.718 3.301 1.00 1.54 C ATOM 0 H ALA A 29 0.201 -2.072 1.439 1.00 1.37 H new ATOM 0 HA ALA A 29 -1.316 0.227 2.327 1.00 1.43 H new ATOM 0 HB1 ALA A 29 -1.889 -1.389 4.134 1.00 1.54 H new ATOM 0 HB2 ALA A 29 -1.892 -2.215 2.558 1.00 1.54 H new ATOM 0 HB3 ALA A 29 -0.512 -2.414 3.664 1.00 1.54 H new ATOM 413 N LEU A 30 1.449 -0.398 3.974 1.00 1.34 N ATOM 414 CA LEU A 30 2.415 0.242 4.917 1.00 1.34 C ATOM 415 C LEU A 30 2.886 1.575 4.324 1.00 1.26 C ATOM 416 O LEU A 30 2.985 2.570 5.015 1.00 1.27 O ATOM 417 CB LEU A 30 3.584 -0.745 5.036 1.00 1.39 C ATOM 418 CG LEU A 30 3.314 -1.732 6.174 1.00 1.55 C ATOM 419 CD1 LEU A 30 4.106 -3.019 5.932 1.00 1.63 C ATOM 420 CD2 LEU A 30 3.755 -1.112 7.503 1.00 1.83 C ATOM 0 H LEU A 30 1.738 -1.307 3.612 1.00 1.34 H new ATOM 0 HA LEU A 30 1.977 0.452 5.893 1.00 1.34 H new ATOM 0 HB2 LEU A 30 3.714 -1.284 4.098 1.00 1.39 H new ATOM 0 HB3 LEU A 30 4.511 -0.204 5.224 1.00 1.39 H new ATOM 0 HG LEU A 30 2.248 -1.959 6.211 1.00 1.55 H new ATOM 0 HD11 LEU A 30 3.914 -3.722 6.742 1.00 1.63 H new ATOM 0 HD12 LEU A 30 3.798 -3.463 4.985 1.00 1.63 H new ATOM 0 HD13 LEU A 30 5.171 -2.789 5.896 1.00 1.63 H new ATOM 0 HD21 LEU A 30 3.563 -1.815 8.314 1.00 1.83 H new ATOM 0 HD22 LEU A 30 4.821 -0.886 7.463 1.00 1.83 H new ATOM 0 HD23 LEU A 30 3.196 -0.193 7.679 1.00 1.83 H new ATOM 432 N ILE A 31 3.147 1.604 3.037 1.00 1.22 N ATOM 433 CA ILE A 31 3.584 2.879 2.381 1.00 1.20 C ATOM 434 C ILE A 31 2.437 3.896 2.444 1.00 1.19 C ATOM 435 O ILE A 31 2.630 5.045 2.806 1.00 1.18 O ATOM 436 CB ILE A 31 3.910 2.495 0.929 1.00 1.25 C ATOM 437 CG1 ILE A 31 5.196 1.654 0.894 1.00 1.31 C ATOM 438 CG2 ILE A 31 4.106 3.760 0.083 1.00 1.32 C ATOM 439 CD1 ILE A 31 6.390 2.497 1.354 1.00 1.43 C ATOM 0 H ILE A 31 3.076 0.800 2.413 1.00 1.22 H new ATOM 0 HA ILE A 31 4.446 3.335 2.867 1.00 1.20 H new ATOM 0 HB ILE A 31 3.082 1.915 0.521 1.00 1.25 H new ATOM 0 HG12 ILE A 31 5.087 0.782 1.539 1.00 1.31 H new ATOM 0 HG13 ILE A 31 5.370 1.284 -0.116 1.00 1.31 H new ATOM 0 HG21 ILE A 31 4.337 3.478 -0.944 1.00 1.32 H new ATOM 0 HG22 ILE A 31 3.192 4.354 0.100 1.00 1.32 H new ATOM 0 HG23 ILE A 31 4.928 4.347 0.492 1.00 1.32 H new ATOM 0 HD11 ILE A 31 7.296 1.891 1.325 1.00 1.43 H new ATOM 0 HD12 ILE A 31 6.506 3.355 0.692 1.00 1.43 H new ATOM 0 HD13 ILE A 31 6.219 2.845 2.373 1.00 1.43 H new ATOM 451 N LEU A 32 1.238 3.471 2.116 1.00 1.26 N ATOM 452 CA LEU A 32 0.066 4.398 2.178 1.00 1.33 C ATOM 453 C LEU A 32 -0.128 4.889 3.621 1.00 1.33 C ATOM 454 O LEU A 32 -0.262 6.072 3.873 1.00 1.36 O ATOM 455 CB LEU A 32 -1.135 3.558 1.718 1.00 1.44 C ATOM 456 CG LEU A 32 -1.954 4.352 0.699 1.00 1.63 C ATOM 457 CD1 LEU A 32 -1.530 3.958 -0.715 1.00 1.88 C ATOM 458 CD2 LEU A 32 -3.440 4.038 0.880 1.00 1.97 C ATOM 0 H LEU A 32 1.023 2.523 1.809 1.00 1.26 H new ATOM 0 HA LEU A 32 0.196 5.282 1.554 1.00 1.33 H new ATOM 0 HB2 LEU A 32 -0.790 2.624 1.274 1.00 1.44 H new ATOM 0 HB3 LEU A 32 -1.757 3.294 2.574 1.00 1.44 H new ATOM 0 HG LEU A 32 -1.782 5.417 0.852 1.00 1.63 H new ATOM 0 HD11 LEU A 32 -2.114 4.524 -1.441 1.00 1.88 H new ATOM 0 HD12 LEU A 32 -0.471 4.177 -0.851 1.00 1.88 H new ATOM 0 HD13 LEU A 32 -1.702 2.892 -0.863 1.00 1.88 H new ATOM 0 HD21 LEU A 32 -4.023 4.604 0.153 1.00 1.97 H new ATOM 0 HD22 LEU A 32 -3.608 2.972 0.728 1.00 1.97 H new ATOM 0 HD23 LEU A 32 -3.750 4.314 1.888 1.00 1.97 H new ATOM 470 N GLY A 33 -0.126 3.987 4.571 1.00 1.36 N ATOM 471 CA GLY A 33 -0.292 4.394 6.000 1.00 1.42 C ATOM 472 C GLY A 33 0.845 5.334 6.413 1.00 1.33 C ATOM 473 O GLY A 33 0.642 6.263 7.169 1.00 1.40 O ATOM 0 H GLY A 33 -0.016 2.985 4.418 1.00 1.36 H new ATOM 0 HA2 GLY A 33 -1.253 4.891 6.136 1.00 1.42 H new ATOM 0 HA3 GLY A 33 -0.296 3.512 6.640 1.00 1.42 H new ATOM 477 N CYS A 34 2.037 5.097 5.927 1.00 1.24 N ATOM 478 CA CYS A 34 3.184 5.979 6.299 1.00 1.20 C ATOM 479 C CYS A 34 3.099 7.332 5.572 1.00 1.14 C ATOM 480 O CYS A 34 3.348 8.370 6.167 1.00 1.11 O ATOM 481 CB CYS A 34 4.442 5.212 5.873 1.00 1.23 C ATOM 482 SG CYS A 34 5.682 5.315 7.188 1.00 1.16 S ATOM 0 H CYS A 34 2.265 4.333 5.291 1.00 1.24 H new ATOM 0 HA CYS A 34 3.187 6.204 7.366 1.00 1.20 H new ATOM 0 HB2 CYS A 34 4.195 4.170 5.671 1.00 1.23 H new ATOM 0 HB3 CYS A 34 4.841 5.630 4.948 1.00 1.23 H new ATOM 0 HG CYS A 34 6.749 4.664 6.831 1.00 1.16 H new ATOM 488 N TRP A 35 2.768 7.335 4.294 1.00 1.16 N ATOM 489 CA TRP A 35 2.695 8.635 3.539 1.00 1.17 C ATOM 490 C TRP A 35 1.724 8.566 2.336 1.00 1.31 C ATOM 491 O TRP A 35 2.111 8.804 1.207 1.00 1.45 O ATOM 492 CB TRP A 35 4.129 8.868 3.047 1.00 1.18 C ATOM 493 CG TRP A 35 4.753 9.995 3.808 1.00 1.16 C ATOM 494 CD1 TRP A 35 4.471 11.308 3.635 1.00 1.26 C ATOM 495 CD2 TRP A 35 5.765 9.929 4.853 1.00 1.17 C ATOM 496 NE1 TRP A 35 5.239 12.051 4.515 1.00 1.33 N ATOM 497 CE2 TRP A 35 6.052 11.244 5.286 1.00 1.29 C ATOM 498 CE3 TRP A 35 6.451 8.865 5.465 1.00 1.21 C ATOM 499 CZ2 TRP A 35 6.986 11.492 6.288 1.00 1.44 C ATOM 500 CZ3 TRP A 35 7.393 9.113 6.474 1.00 1.37 C ATOM 501 CH2 TRP A 35 7.658 10.424 6.884 1.00 1.47 C ATOM 0 H TRP A 35 2.548 6.502 3.748 1.00 1.16 H new ATOM 0 HA TRP A 35 2.317 9.438 4.172 1.00 1.17 H new ATOM 0 HB2 TRP A 35 4.719 7.960 3.176 1.00 1.18 H new ATOM 0 HB3 TRP A 35 4.124 9.096 1.981 1.00 1.18 H new ATOM 0 HD1 TRP A 35 3.762 11.710 2.926 1.00 1.26 H new ATOM 0 HE1 TRP A 35 5.208 13.068 4.585 1.00 1.33 H new ATOM 0 HE3 TRP A 35 6.251 7.850 5.156 1.00 1.21 H new ATOM 0 HZ2 TRP A 35 7.189 12.505 6.602 1.00 1.44 H new ATOM 0 HZ3 TRP A 35 7.916 8.289 6.936 1.00 1.37 H new ATOM 0 HH2 TRP A 35 8.383 10.610 7.662 1.00 1.47 H new ATOM 512 N CYS A 36 0.471 8.254 2.561 1.00 1.36 N ATOM 513 CA CYS A 36 -0.514 8.183 1.422 1.00 1.54 C ATOM 514 C CYS A 36 -0.668 9.553 0.718 1.00 1.55 C ATOM 515 O CYS A 36 -1.000 9.618 -0.450 1.00 1.75 O ATOM 516 CB CYS A 36 -1.839 7.760 2.068 1.00 1.57 C ATOM 517 SG CYS A 36 -3.110 7.570 0.790 1.00 1.87 S ATOM 0 H CYS A 36 0.083 8.045 3.481 1.00 1.36 H new ATOM 0 HA CYS A 36 -0.184 7.484 0.653 1.00 1.54 H new ATOM 0 HB2 CYS A 36 -1.708 6.821 2.607 1.00 1.57 H new ATOM 0 HB3 CYS A 36 -2.153 8.506 2.798 1.00 1.57 H new ATOM 0 HG CYS A 36 -2.734 8.186 -0.291 1.00 1.87 H new ATOM 523 N TYR A 37 -0.428 10.638 1.416 1.00 1.41 N ATOM 524 CA TYR A 37 -0.553 11.997 0.792 1.00 1.48 C ATOM 525 C TYR A 37 0.659 12.859 1.197 1.00 1.42 C ATOM 526 O TYR A 37 1.618 12.353 1.752 1.00 1.39 O ATOM 527 CB TYR A 37 -1.859 12.566 1.367 1.00 1.46 C ATOM 528 CG TYR A 37 -2.860 12.805 0.258 1.00 1.81 C ATOM 529 CD1 TYR A 37 -3.623 11.743 -0.242 1.00 2.11 C ATOM 530 CD2 TYR A 37 -3.037 14.093 -0.256 1.00 2.37 C ATOM 531 CE1 TYR A 37 -4.560 11.972 -1.257 1.00 2.68 C ATOM 532 CE2 TYR A 37 -3.973 14.318 -1.272 1.00 2.86 C ATOM 533 CZ TYR A 37 -4.735 13.258 -1.770 1.00 2.93 C ATOM 534 OH TYR A 37 -5.656 13.482 -2.768 1.00 3.58 O ATOM 0 H TYR A 37 -0.149 10.642 2.397 1.00 1.41 H new ATOM 0 HA TYR A 37 -0.573 11.972 -0.298 1.00 1.48 H new ATOM 0 HB2 TYR A 37 -2.275 11.873 2.098 1.00 1.46 H new ATOM 0 HB3 TYR A 37 -1.657 13.500 1.892 1.00 1.46 H new ATOM 0 HD1 TYR A 37 -3.489 10.748 0.155 1.00 2.11 H new ATOM 0 HD2 TYR A 37 -2.452 14.914 0.131 1.00 2.37 H new ATOM 0 HE1 TYR A 37 -5.148 11.153 -1.643 1.00 2.68 H new ATOM 0 HE2 TYR A 37 -4.106 15.312 -1.672 1.00 2.86 H new ATOM 0 HH TYR A 37 -5.652 14.432 -3.010 1.00 3.58 H new ATOM 544 N LEU A 38 0.631 14.150 0.935 1.00 1.48 N ATOM 545 CA LEU A 38 1.797 15.025 1.321 1.00 1.49 C ATOM 546 C LEU A 38 2.170 14.812 2.797 1.00 1.29 C ATOM 547 O LEU A 38 3.330 14.828 3.155 1.00 1.29 O ATOM 548 CB LEU A 38 1.332 16.470 1.071 1.00 1.63 C ATOM 549 CG LEU A 38 2.232 17.463 1.825 1.00 1.69 C ATOM 550 CD1 LEU A 38 3.544 17.663 1.061 1.00 1.98 C ATOM 551 CD2 LEU A 38 1.510 18.806 1.945 1.00 1.88 C ATOM 0 H LEU A 38 -0.140 14.633 0.475 1.00 1.48 H new ATOM 0 HA LEU A 38 2.689 14.789 0.741 1.00 1.49 H new ATOM 0 HB2 LEU A 38 1.356 16.687 0.003 1.00 1.63 H new ATOM 0 HB3 LEU A 38 0.298 16.587 1.397 1.00 1.63 H new ATOM 0 HG LEU A 38 2.450 17.068 2.817 1.00 1.69 H new ATOM 0 HD11 LEU A 38 4.176 18.368 1.601 1.00 1.98 H new ATOM 0 HD12 LEU A 38 4.061 16.708 0.970 1.00 1.98 H new ATOM 0 HD13 LEU A 38 3.330 18.056 0.067 1.00 1.98 H new ATOM 0 HD21 LEU A 38 2.144 19.514 2.479 1.00 1.88 H new ATOM 0 HD22 LEU A 38 1.293 19.193 0.949 1.00 1.88 H new ATOM 0 HD23 LEU A 38 0.577 18.670 2.492 1.00 1.88 H new ATOM 563 N ARG A 39 1.189 14.600 3.637 1.00 1.15 N ATOM 564 CA ARG A 39 1.447 14.362 5.094 1.00 0.99 C ATOM 565 C ARG A 39 2.466 15.367 5.665 1.00 1.02 C ATOM 566 O ARG A 39 3.601 15.030 5.956 1.00 1.04 O ATOM 567 CB ARG A 39 1.991 12.941 5.152 1.00 0.94 C ATOM 568 CG ARG A 39 1.816 12.389 6.564 1.00 0.86 C ATOM 569 CD ARG A 39 3.176 12.351 7.259 1.00 1.41 C ATOM 570 NE ARG A 39 3.094 11.225 8.229 1.00 0.86 N ATOM 571 CZ ARG A 39 4.177 10.637 8.620 1.00 0.82 C ATOM 572 NH1 ARG A 39 4.936 11.211 9.497 1.00 0.81 N ATOM 573 NH2 ARG A 39 4.517 9.494 8.106 1.00 0.93 N ATOM 0 H ARG A 39 0.204 14.581 3.373 1.00 1.15 H new ATOM 0 HA ARG A 39 0.546 14.492 5.694 1.00 0.99 H new ATOM 0 HB2 ARG A 39 1.466 12.309 4.435 1.00 0.94 H new ATOM 0 HB3 ARG A 39 3.045 12.932 4.874 1.00 0.94 H new ATOM 0 HG2 ARG A 39 1.123 13.013 7.128 1.00 0.86 H new ATOM 0 HG3 ARG A 39 1.385 11.388 6.526 1.00 0.86 H new ATOM 0 HD2 ARG A 39 3.980 12.192 6.540 1.00 1.41 H new ATOM 0 HD3 ARG A 39 3.384 13.293 7.767 1.00 1.41 H new ATOM 0 HE ARG A 39 2.188 10.919 8.583 1.00 0.86 H new ATOM 0 HH11 ARG A 39 4.679 12.122 9.876 1.00 0.81 H new ATOM 0 HH12 ARG A 39 5.792 10.752 9.809 1.00 0.81 H new ATOM 0 HH21 ARG A 39 3.930 9.060 7.394 1.00 0.93 H new ATOM 0 HH22 ARG A 39 5.371 9.030 8.414 1.00 0.93 H new ATOM 587 N LEU A 40 2.057 16.596 5.832 1.00 1.08 N ATOM 588 CA LEU A 40 2.988 17.636 6.390 1.00 1.18 C ATOM 589 C LEU A 40 3.615 17.162 7.704 1.00 1.06 C ATOM 590 O LEU A 40 4.767 17.447 7.975 1.00 1.17 O ATOM 591 CB LEU A 40 2.128 18.886 6.611 1.00 1.33 C ATOM 592 CG LEU A 40 2.940 20.134 6.262 1.00 1.70 C ATOM 593 CD1 LEU A 40 2.181 20.960 5.225 1.00 1.87 C ATOM 594 CD2 LEU A 40 3.138 20.975 7.520 1.00 2.24 C ATOM 0 H LEU A 40 1.120 16.931 5.608 1.00 1.08 H new ATOM 0 HA LEU A 40 3.817 17.836 5.711 1.00 1.18 H new ATOM 0 HB2 LEU A 40 1.232 18.838 5.992 1.00 1.33 H new ATOM 0 HB3 LEU A 40 1.797 18.933 7.648 1.00 1.33 H new ATOM 0 HG LEU A 40 3.908 19.837 5.859 1.00 1.70 H new ATOM 0 HD11 LEU A 40 2.759 21.850 4.975 1.00 1.87 H new ATOM 0 HD12 LEU A 40 2.027 20.363 4.326 1.00 1.87 H new ATOM 0 HD13 LEU A 40 1.215 21.257 5.633 1.00 1.87 H new ATOM 0 HD21 LEU A 40 3.717 21.866 7.275 1.00 2.24 H new ATOM 0 HD22 LEU A 40 2.167 21.271 7.916 1.00 2.24 H new ATOM 0 HD23 LEU A 40 3.672 20.390 8.268 1.00 2.24 H new ATOM 606 N GLN A 41 2.896 16.418 8.508 1.00 1.10 N ATOM 607 CA GLN A 41 3.499 15.913 9.780 1.00 1.01 C ATOM 608 C GLN A 41 4.531 14.814 9.466 1.00 1.01 C ATOM 609 O GLN A 41 4.453 13.700 9.964 1.00 1.02 O ATOM 610 CB GLN A 41 2.325 15.360 10.601 1.00 1.04 C ATOM 611 CG GLN A 41 2.809 15.053 12.024 1.00 1.14 C ATOM 612 CD GLN A 41 1.660 15.182 13.024 1.00 1.58 C ATOM 613 OE1 GLN A 41 0.542 15.488 12.663 1.00 2.15 O ATOM 614 NE2 GLN A 41 1.893 14.963 14.284 1.00 1.74 N ATOM 0 H GLN A 41 1.929 16.141 8.342 1.00 1.10 H new ATOM 0 HA GLN A 41 4.026 16.692 10.330 1.00 1.01 H new ATOM 0 HB2 GLN A 41 1.511 16.084 10.629 1.00 1.04 H new ATOM 0 HB3 GLN A 41 1.932 14.457 10.134 1.00 1.04 H new ATOM 0 HG2 GLN A 41 3.221 14.045 12.064 1.00 1.14 H new ATOM 0 HG3 GLN A 41 3.613 15.737 12.296 1.00 1.14 H new ATOM 0 HE21 GLN A 41 2.831 14.706 14.592 1.00 1.74 H new ATOM 0 HE22 GLN A 41 1.138 15.048 14.965 1.00 1.74 H new ATOM 623 N ARG A 42 5.505 15.129 8.640 1.00 1.08 N ATOM 624 CA ARG A 42 6.556 14.125 8.286 1.00 1.17 C ATOM 625 C ARG A 42 7.285 13.696 9.562 1.00 1.24 C ATOM 626 O ARG A 42 7.035 12.638 10.102 1.00 1.29 O ATOM 627 CB ARG A 42 7.495 14.853 7.299 1.00 1.28 C ATOM 628 CG ARG A 42 8.865 14.154 7.251 1.00 1.34 C ATOM 629 CD ARG A 42 9.564 14.457 5.918 1.00 1.45 C ATOM 630 NE ARG A 42 9.471 13.187 5.134 1.00 1.29 N ATOM 631 CZ ARG A 42 10.542 12.503 4.853 1.00 1.19 C ATOM 632 NH1 ARG A 42 11.128 11.812 5.777 1.00 1.04 N ATOM 633 NH2 ARG A 42 11.016 12.509 3.645 1.00 1.31 N ATOM 0 H ARG A 42 5.615 16.041 8.197 1.00 1.08 H new ATOM 0 HA ARG A 42 6.155 13.219 7.833 1.00 1.17 H new ATOM 0 HB2 ARG A 42 7.050 14.864 6.304 1.00 1.28 H new ATOM 0 HB3 ARG A 42 7.620 15.892 7.604 1.00 1.28 H new ATOM 0 HG2 ARG A 42 9.485 14.493 8.081 1.00 1.34 H new ATOM 0 HG3 ARG A 42 8.737 13.078 7.368 1.00 1.34 H new ATOM 0 HD2 ARG A 42 9.077 15.280 5.395 1.00 1.45 H new ATOM 0 HD3 ARG A 42 10.602 14.749 6.074 1.00 1.45 H new ATOM 0 HE ARG A 42 8.561 12.854 4.817 1.00 1.29 H new ATOM 0 HH11 ARG A 42 10.750 11.804 6.725 1.00 1.04 H new ATOM 0 HH12 ARG A 42 11.967 11.276 5.558 1.00 1.04 H new ATOM 0 HH21 ARG A 42 10.549 13.049 2.917 1.00 1.31 H new ATOM 0 HH22 ARG A 42 11.855 11.973 3.424 1.00 1.31 H new ATOM 647 N ILE A 43 8.160 14.523 10.054 1.00 1.34 N ATOM 648 CA ILE A 43 8.893 14.206 11.295 1.00 1.49 C ATOM 649 C ILE A 43 7.984 14.427 12.524 1.00 1.42 C ATOM 650 O ILE A 43 8.208 13.865 13.577 1.00 1.53 O ATOM 651 CB ILE A 43 10.056 15.199 11.236 1.00 1.67 C ATOM 652 CG1 ILE A 43 11.364 14.430 11.096 1.00 1.92 C ATOM 653 CG2 ILE A 43 10.082 16.081 12.475 1.00 1.79 C ATOM 654 CD1 ILE A 43 11.689 13.690 12.397 1.00 2.13 C ATOM 0 H ILE A 43 8.399 15.422 9.636 1.00 1.34 H new ATOM 0 HA ILE A 43 9.227 13.172 11.381 1.00 1.49 H new ATOM 0 HB ILE A 43 9.925 15.850 10.372 1.00 1.67 H new ATOM 0 HG12 ILE A 43 11.289 13.718 10.274 1.00 1.92 H new ATOM 0 HG13 ILE A 43 12.173 15.117 10.849 1.00 1.92 H new ATOM 0 HG21 ILE A 43 10.918 16.778 12.408 1.00 1.79 H new ATOM 0 HG22 ILE A 43 9.149 16.640 12.544 1.00 1.79 H new ATOM 0 HG23 ILE A 43 10.198 15.459 13.362 1.00 1.79 H new ATOM 0 HD11 ILE A 43 12.626 13.145 12.281 1.00 2.13 H new ATOM 0 HD12 ILE A 43 11.785 14.409 13.210 1.00 2.13 H new ATOM 0 HD13 ILE A 43 10.887 12.988 12.626 1.00 2.13 H new ATOM 666 N SER A 44 6.955 15.245 12.383 1.00 1.28 N ATOM 667 CA SER A 44 6.010 15.520 13.521 1.00 1.27 C ATOM 668 C SER A 44 6.722 16.238 14.686 1.00 1.44 C ATOM 669 O SER A 44 6.437 17.384 14.970 1.00 1.56 O ATOM 670 CB SER A 44 5.467 14.153 13.951 1.00 1.25 C ATOM 671 OG SER A 44 4.364 14.340 14.834 1.00 1.32 O ATOM 0 H SER A 44 6.730 15.737 11.518 1.00 1.28 H new ATOM 0 HA SER A 44 5.205 16.188 13.215 1.00 1.27 H new ATOM 0 HB2 SER A 44 5.155 13.582 13.077 1.00 1.25 H new ATOM 0 HB3 SER A 44 6.250 13.577 14.445 1.00 1.25 H new ATOM 0 HG SER A 44 4.612 14.043 15.734 1.00 1.32 H new ATOM 677 N GLN A 45 7.633 15.584 15.366 1.00 1.52 N ATOM 678 CA GLN A 45 8.339 16.245 16.506 1.00 1.75 C ATOM 679 C GLN A 45 9.726 16.762 16.074 1.00 1.83 C ATOM 680 O GLN A 45 9.855 17.895 15.641 1.00 1.94 O ATOM 681 CB GLN A 45 8.446 15.154 17.576 1.00 1.93 C ATOM 682 CG GLN A 45 7.040 14.785 18.063 1.00 1.95 C ATOM 683 CD GLN A 45 6.510 13.560 17.310 1.00 1.77 C ATOM 684 OE1 GLN A 45 5.377 13.554 16.872 1.00 1.66 O ATOM 685 NE2 GLN A 45 7.270 12.518 17.139 1.00 1.87 N ATOM 0 H GLN A 45 7.917 14.622 15.180 1.00 1.52 H new ATOM 0 HA GLN A 45 7.807 17.122 16.875 1.00 1.75 H new ATOM 0 HB2 GLN A 45 8.945 14.275 17.167 1.00 1.93 H new ATOM 0 HB3 GLN A 45 9.052 15.505 18.411 1.00 1.93 H new ATOM 0 HG2 GLN A 45 7.063 14.578 19.133 1.00 1.95 H new ATOM 0 HG3 GLN A 45 6.366 15.629 17.916 1.00 1.95 H new ATOM 0 HE21 GLN A 45 8.222 12.516 17.504 1.00 1.87 H new ATOM 0 HE22 GLN A 45 6.913 11.703 16.640 1.00 1.87 H new ATOM 694 N SER A 46 10.762 15.952 16.178 1.00 1.87 N ATOM 695 CA SER A 46 12.141 16.399 15.768 1.00 2.02 C ATOM 696 C SER A 46 13.172 15.285 16.024 1.00 2.08 C ATOM 697 O SER A 46 14.204 15.507 16.632 1.00 2.33 O ATOM 698 CB SER A 46 12.459 17.628 16.632 1.00 2.26 C ATOM 699 OG SER A 46 12.053 18.808 15.947 1.00 2.33 O ATOM 0 H SER A 46 10.711 14.996 16.531 1.00 1.87 H new ATOM 0 HA SER A 46 12.182 16.633 14.704 1.00 2.02 H new ATOM 0 HB2 SER A 46 11.944 17.555 17.590 1.00 2.26 H new ATOM 0 HB3 SER A 46 13.527 17.668 16.847 1.00 2.26 H new ATOM 0 HG SER A 46 11.107 18.735 15.702 1.00 2.33 H new ATOM 705 N GLU A 47 12.898 14.091 15.565 1.00 1.96 N ATOM 706 CA GLU A 47 13.847 12.956 15.771 1.00 2.08 C ATOM 707 C GLU A 47 14.468 12.517 14.427 1.00 1.94 C ATOM 708 O GLU A 47 14.411 13.237 13.448 1.00 1.87 O ATOM 709 CB GLU A 47 13.000 11.835 16.406 1.00 2.11 C ATOM 710 CG GLU A 47 11.777 11.513 15.530 1.00 1.93 C ATOM 711 CD GLU A 47 10.529 12.184 16.113 1.00 1.92 C ATOM 712 OE1 GLU A 47 10.289 13.330 15.776 1.00 2.36 O ATOM 713 OE2 GLU A 47 9.834 11.542 16.884 1.00 1.97 O ATOM 0 H GLU A 47 12.050 13.852 15.052 1.00 1.96 H new ATOM 0 HA GLU A 47 14.687 13.226 16.411 1.00 2.08 H new ATOM 0 HB2 GLU A 47 13.609 10.940 16.532 1.00 2.11 H new ATOM 0 HB3 GLU A 47 12.671 12.139 17.400 1.00 2.11 H new ATOM 0 HG2 GLU A 47 11.946 11.862 14.511 1.00 1.93 H new ATOM 0 HG3 GLU A 47 11.630 10.434 15.477 1.00 1.93 H new ATOM 720 N ASP A 48 15.068 11.352 14.371 1.00 1.96 N ATOM 721 CA ASP A 48 15.693 10.886 13.088 1.00 1.87 C ATOM 722 C ASP A 48 14.665 10.117 12.238 1.00 1.60 C ATOM 723 O ASP A 48 13.827 9.403 12.760 1.00 1.63 O ATOM 724 CB ASP A 48 16.850 9.975 13.515 1.00 2.04 C ATOM 725 CG ASP A 48 18.131 10.402 12.797 1.00 2.37 C ATOM 726 OD1 ASP A 48 18.157 10.328 11.580 1.00 2.54 O ATOM 727 OD2 ASP A 48 19.063 10.792 13.477 1.00 2.84 O ATOM 0 H ASP A 48 15.153 10.704 15.154 1.00 1.96 H new ATOM 0 HA ASP A 48 16.042 11.715 12.473 1.00 1.87 H new ATOM 0 HB2 ASP A 48 16.990 10.030 14.594 1.00 2.04 H new ATOM 0 HB3 ASP A 48 16.616 8.937 13.277 1.00 2.04 H new ATOM 732 N GLU A 49 14.711 10.268 10.932 1.00 1.45 N ATOM 733 CA GLU A 49 13.721 9.562 10.058 1.00 1.21 C ATOM 734 C GLU A 49 14.206 9.476 8.595 1.00 1.13 C ATOM 735 O GLU A 49 15.030 10.257 8.151 1.00 1.29 O ATOM 736 CB GLU A 49 12.461 10.423 10.159 1.00 1.16 C ATOM 737 CG GLU A 49 11.317 9.788 9.360 1.00 1.02 C ATOM 738 CD GLU A 49 10.236 10.835 9.111 1.00 0.95 C ATOM 739 OE1 GLU A 49 10.336 11.539 8.117 1.00 0.98 O ATOM 740 OE2 GLU A 49 9.324 10.916 9.913 1.00 1.06 O ATOM 0 H GLU A 49 15.389 10.848 10.438 1.00 1.45 H new ATOM 0 HA GLU A 49 13.561 8.531 10.372 1.00 1.21 H new ATOM 0 HB2 GLU A 49 12.168 10.530 11.204 1.00 1.16 H new ATOM 0 HB3 GLU A 49 12.666 11.425 9.781 1.00 1.16 H new ATOM 0 HG2 GLU A 49 11.691 9.402 8.412 1.00 1.02 H new ATOM 0 HG3 GLU A 49 10.901 8.942 9.907 1.00 1.02 H new ATOM 747 N GLU A 50 13.683 8.528 7.845 1.00 0.98 N ATOM 748 CA GLU A 50 14.084 8.367 6.408 1.00 0.98 C ATOM 749 C GLU A 50 13.084 9.110 5.488 1.00 0.96 C ATOM 750 O GLU A 50 13.044 10.329 5.478 1.00 1.09 O ATOM 751 CB GLU A 50 14.068 6.849 6.176 1.00 0.92 C ATOM 752 CG GLU A 50 14.678 6.517 4.807 1.00 0.99 C ATOM 753 CD GLU A 50 13.831 5.451 4.110 1.00 0.88 C ATOM 754 OE1 GLU A 50 12.752 5.787 3.653 1.00 0.93 O ATOM 755 OE2 GLU A 50 14.266 4.315 4.056 1.00 0.97 O ATOM 0 H GLU A 50 12.990 7.855 8.172 1.00 0.98 H new ATOM 0 HA GLU A 50 15.062 8.792 6.183 1.00 0.98 H new ATOM 0 HB2 GLU A 50 14.629 6.347 6.964 1.00 0.92 H new ATOM 0 HB3 GLU A 50 13.045 6.476 6.227 1.00 0.92 H new ATOM 0 HG2 GLU A 50 14.727 7.416 4.192 1.00 0.99 H new ATOM 0 HG3 GLU A 50 15.700 6.160 4.931 1.00 0.99 H new ATOM 762 N SER A 51 12.278 8.410 4.715 1.00 0.89 N ATOM 763 CA SER A 51 11.297 9.115 3.816 1.00 0.95 C ATOM 764 C SER A 51 10.177 8.176 3.345 1.00 0.93 C ATOM 765 O SER A 51 9.028 8.564 3.259 1.00 1.00 O ATOM 766 CB SER A 51 12.120 9.610 2.623 1.00 1.15 C ATOM 767 OG SER A 51 12.677 10.887 2.939 1.00 1.30 O ATOM 0 H SER A 51 12.256 7.391 4.667 1.00 0.89 H new ATOM 0 HA SER A 51 10.802 9.931 4.343 1.00 0.95 H new ATOM 0 HB2 SER A 51 12.914 8.900 2.393 1.00 1.15 H new ATOM 0 HB3 SER A 51 11.491 9.683 1.736 1.00 1.15 H new ATOM 0 HG SER A 51 12.904 10.918 3.892 1.00 1.30 H new ATOM 773 N ILE A 52 10.505 6.952 3.035 1.00 0.92 N ATOM 774 CA ILE A 52 9.473 5.978 2.564 1.00 1.00 C ATOM 775 C ILE A 52 9.165 4.960 3.668 1.00 0.91 C ATOM 776 O ILE A 52 8.023 4.730 4.015 1.00 1.03 O ATOM 777 CB ILE A 52 10.117 5.284 1.362 1.00 1.13 C ATOM 778 CG1 ILE A 52 10.525 6.329 0.325 1.00 1.32 C ATOM 779 CG2 ILE A 52 9.115 4.320 0.732 1.00 1.30 C ATOM 780 CD1 ILE A 52 11.714 5.809 -0.482 1.00 1.51 C ATOM 0 H ILE A 52 11.453 6.579 3.088 1.00 0.92 H new ATOM 0 HA ILE A 52 8.531 6.461 2.306 1.00 1.00 H new ATOM 0 HB ILE A 52 10.997 4.734 1.694 1.00 1.13 H new ATOM 0 HG12 ILE A 52 9.688 6.544 -0.339 1.00 1.32 H new ATOM 0 HG13 ILE A 52 10.788 7.264 0.819 1.00 1.32 H new ATOM 0 HG21 ILE A 52 9.574 3.826 -0.124 1.00 1.30 H new ATOM 0 HG22 ILE A 52 8.819 3.572 1.467 1.00 1.30 H new ATOM 0 HG23 ILE A 52 8.235 4.873 0.403 1.00 1.30 H new ATOM 0 HD11 ILE A 52 12.005 6.554 -1.222 1.00 1.51 H new ATOM 0 HD12 ILE A 52 12.552 5.616 0.188 1.00 1.51 H new ATOM 0 HD13 ILE A 52 11.434 4.885 -0.988 1.00 1.51 H new ATOM 792 N VAL A 53 10.184 4.352 4.221 1.00 0.81 N ATOM 793 CA VAL A 53 9.965 3.341 5.314 1.00 0.85 C ATOM 794 C VAL A 53 10.932 3.573 6.487 1.00 0.83 C ATOM 795 O VAL A 53 10.527 3.586 7.634 1.00 1.00 O ATOM 796 CB VAL A 53 10.200 1.953 4.685 1.00 0.92 C ATOM 797 CG1 VAL A 53 9.004 1.581 3.808 1.00 1.05 C ATOM 798 CG2 VAL A 53 11.474 1.944 3.825 1.00 1.00 C ATOM 0 H VAL A 53 11.159 4.508 3.967 1.00 0.81 H new ATOM 0 HA VAL A 53 8.956 3.425 5.718 1.00 0.85 H new ATOM 0 HB VAL A 53 10.318 1.229 5.491 1.00 0.92 H new ATOM 0 HG11 VAL A 53 9.170 0.600 3.363 1.00 1.05 H new ATOM 0 HG12 VAL A 53 8.100 1.555 4.417 1.00 1.05 H new ATOM 0 HG13 VAL A 53 8.888 2.323 3.018 1.00 1.05 H new ATOM 0 HG21 VAL A 53 11.615 0.953 3.394 1.00 1.00 H new ATOM 0 HG22 VAL A 53 11.378 2.678 3.025 1.00 1.00 H new ATOM 0 HG23 VAL A 53 12.334 2.195 4.446 1.00 1.00 H new ATOM 808 N GLY A 54 12.201 3.752 6.214 1.00 0.78 N ATOM 809 CA GLY A 54 13.186 3.980 7.318 1.00 0.93 C ATOM 810 C GLY A 54 13.537 2.649 7.985 1.00 1.11 C ATOM 811 O GLY A 54 14.658 2.183 7.902 1.00 1.19 O ATOM 0 H GLY A 54 12.598 3.750 5.274 1.00 0.78 H new ATOM 0 HA2 GLY A 54 14.088 4.447 6.922 1.00 0.93 H new ATOM 0 HA3 GLY A 54 12.768 4.667 8.054 1.00 0.93 H new ATOM 815 N ASP A 55 12.588 2.030 8.638 1.00 1.26 N ATOM 816 CA ASP A 55 12.858 0.720 9.310 1.00 1.49 C ATOM 817 C ASP A 55 12.348 -0.446 8.444 1.00 1.51 C ATOM 818 O ASP A 55 11.495 -0.271 7.593 1.00 1.51 O ATOM 819 CB ASP A 55 12.087 0.790 10.632 1.00 1.74 C ATOM 820 CG ASP A 55 12.485 -0.386 11.522 1.00 2.11 C ATOM 821 OD1 ASP A 55 13.660 -0.509 11.823 1.00 2.79 O ATOM 822 OD2 ASP A 55 11.609 -1.150 11.883 1.00 2.18 O ATOM 0 H ASP A 55 11.633 2.375 8.736 1.00 1.26 H new ATOM 0 HA ASP A 55 13.923 0.549 9.466 1.00 1.49 H new ATOM 0 HB2 ASP A 55 12.300 1.731 11.139 1.00 1.74 H new ATOM 0 HB3 ASP A 55 11.014 0.767 10.440 1.00 1.74 H new ATOM 827 N GLY A 56 12.870 -1.629 8.653 1.00 1.61 N ATOM 828 CA GLY A 56 12.426 -2.809 7.845 1.00 1.69 C ATOM 829 C GLY A 56 13.593 -3.296 6.988 1.00 1.65 C ATOM 830 O GLY A 56 13.488 -3.395 5.781 1.00 1.58 O ATOM 0 H GLY A 56 13.587 -1.830 9.350 1.00 1.61 H new ATOM 0 HA2 GLY A 56 12.084 -3.608 8.503 1.00 1.69 H new ATOM 0 HA3 GLY A 56 11.583 -2.535 7.211 1.00 1.69 H new ATOM 834 N GLU A 57 14.708 -3.594 7.612 1.00 1.74 N ATOM 835 CA GLU A 57 15.915 -4.068 6.860 1.00 1.77 C ATOM 836 C GLU A 57 16.265 -3.088 5.725 1.00 1.58 C ATOM 837 O GLU A 57 16.552 -3.485 4.607 1.00 1.60 O ATOM 838 CB GLU A 57 15.542 -5.451 6.308 1.00 1.91 C ATOM 839 CG GLU A 57 16.567 -6.488 6.789 1.00 2.07 C ATOM 840 CD GLU A 57 17.782 -6.502 5.858 1.00 2.08 C ATOM 841 OE1 GLU A 57 18.572 -5.567 5.918 1.00 2.01 O ATOM 842 OE2 GLU A 57 17.916 -7.448 5.101 1.00 2.30 O ATOM 0 H GLU A 57 14.835 -3.528 8.622 1.00 1.74 H new ATOM 0 HA GLU A 57 16.796 -4.124 7.499 1.00 1.77 H new ATOM 0 HB2 GLU A 57 14.543 -5.730 6.642 1.00 1.91 H new ATOM 0 HB3 GLU A 57 15.519 -5.425 5.219 1.00 1.91 H new ATOM 0 HG2 GLU A 57 16.882 -6.254 7.806 1.00 2.07 H new ATOM 0 HG3 GLU A 57 16.109 -7.477 6.816 1.00 2.07 H new ATOM 849 N THR A 58 16.244 -1.808 6.010 1.00 1.43 N ATOM 850 CA THR A 58 16.570 -0.778 4.968 1.00 1.28 C ATOM 851 C THR A 58 18.062 -0.841 4.584 1.00 1.36 C ATOM 852 O THR A 58 18.788 0.127 4.711 1.00 1.36 O ATOM 853 CB THR A 58 16.236 0.580 5.618 1.00 1.17 C ATOM 854 OG1 THR A 58 15.908 0.392 6.993 1.00 1.45 O ATOM 855 CG2 THR A 58 15.052 1.217 4.890 1.00 1.11 C ATOM 0 H THR A 58 16.013 -1.428 6.928 1.00 1.43 H new ATOM 0 HA THR A 58 16.005 -0.941 4.050 1.00 1.28 H new ATOM 0 HB THR A 58 17.103 1.236 5.545 1.00 1.17 H new ATOM 0 HG1 THR A 58 15.060 0.842 7.192 1.00 1.45 H new ATOM 0 HG21 THR A 58 14.816 2.177 5.350 1.00 1.11 H new ATOM 0 HG22 THR A 58 15.309 1.370 3.842 1.00 1.11 H new ATOM 0 HG23 THR A 58 14.186 0.559 4.959 1.00 1.11 H new ATOM 863 N LYS A 59 18.520 -1.974 4.116 1.00 1.51 N ATOM 864 CA LYS A 59 19.951 -2.118 3.726 1.00 1.65 C ATOM 865 C LYS A 59 20.062 -2.954 2.439 1.00 1.69 C ATOM 866 O LYS A 59 19.883 -4.163 2.447 1.00 1.78 O ATOM 867 CB LYS A 59 20.587 -2.826 4.927 1.00 1.84 C ATOM 868 CG LYS A 59 21.867 -3.557 4.516 1.00 1.99 C ATOM 869 CD LYS A 59 21.952 -4.892 5.267 1.00 2.17 C ATOM 870 CE LYS A 59 21.653 -6.051 4.309 1.00 2.23 C ATOM 871 NZ LYS A 59 20.191 -5.954 4.015 1.00 2.13 N ATOM 0 H LYS A 59 17.955 -2.814 3.987 1.00 1.51 H new ATOM 0 HA LYS A 59 20.444 -1.171 3.508 1.00 1.65 H new ATOM 0 HB2 LYS A 59 20.814 -2.097 5.705 1.00 1.84 H new ATOM 0 HB3 LYS A 59 19.878 -3.537 5.352 1.00 1.84 H new ATOM 0 HG2 LYS A 59 21.870 -3.731 3.440 1.00 1.99 H new ATOM 0 HG3 LYS A 59 22.739 -2.943 4.742 1.00 1.99 H new ATOM 0 HD2 LYS A 59 22.945 -5.013 5.699 1.00 2.17 H new ATOM 0 HD3 LYS A 59 21.242 -4.900 6.094 1.00 2.17 H new ATOM 0 HE2 LYS A 59 22.244 -5.969 3.397 1.00 2.23 H new ATOM 0 HE3 LYS A 59 21.900 -7.010 4.764 1.00 2.23 H new ATOM 0 HZ1 LYS A 59 19.836 -6.883 3.710 1.00 2.13 H new ATOM 0 HZ2 LYS A 59 19.684 -5.654 4.872 1.00 2.13 H new ATOM 0 HZ3 LYS A 59 20.034 -5.258 3.259 1.00 2.13 H new ATOM 885 N GLU A 60 20.347 -2.315 1.339 1.00 1.69 N ATOM 886 CA GLU A 60 20.466 -3.046 0.043 1.00 1.78 C ATOM 887 C GLU A 60 21.635 -2.499 -0.788 1.00 1.87 C ATOM 888 O GLU A 60 21.665 -1.324 -1.106 1.00 2.02 O ATOM 889 CB GLU A 60 19.142 -2.778 -0.675 1.00 1.99 C ATOM 890 CG GLU A 60 18.474 -4.108 -1.024 1.00 2.12 C ATOM 891 CD GLU A 60 18.952 -4.585 -2.399 1.00 2.27 C ATOM 892 OE1 GLU A 60 20.092 -5.010 -2.498 1.00 2.35 O ATOM 893 OE2 GLU A 60 18.169 -4.521 -3.330 1.00 2.46 O ATOM 0 H GLU A 60 20.504 -1.309 1.280 1.00 1.69 H new ATOM 0 HA GLU A 60 20.657 -4.109 0.191 1.00 1.78 H new ATOM 0 HB2 GLU A 60 18.485 -2.184 -0.039 1.00 1.99 H new ATOM 0 HB3 GLU A 60 19.318 -2.198 -1.581 1.00 1.99 H new ATOM 0 HG2 GLU A 60 18.713 -4.855 -0.267 1.00 2.12 H new ATOM 0 HG3 GLU A 60 17.390 -3.991 -1.026 1.00 2.12 H new ATOM 900 N PRO A 61 22.555 -3.370 -1.133 1.00 1.85 N ATOM 901 CA PRO A 61 23.720 -2.952 -1.960 1.00 2.03 C ATOM 902 C PRO A 61 23.262 -2.543 -3.372 1.00 2.27 C ATOM 903 O PRO A 61 23.721 -1.552 -3.909 1.00 2.48 O ATOM 904 CB PRO A 61 24.609 -4.200 -1.980 1.00 1.99 C ATOM 905 CG PRO A 61 23.680 -5.338 -1.705 1.00 1.82 C ATOM 906 CD PRO A 61 22.607 -4.800 -0.797 1.00 1.72 C ATOM 0 HA PRO A 61 24.245 -2.081 -1.567 1.00 2.03 H new ATOM 0 HB2 PRO A 61 25.103 -4.318 -2.944 1.00 1.99 H new ATOM 0 HB3 PRO A 61 25.393 -4.139 -1.225 1.00 1.99 H new ATOM 0 HG2 PRO A 61 23.250 -5.721 -2.631 1.00 1.82 H new ATOM 0 HG3 PRO A 61 24.209 -6.166 -1.233 1.00 1.82 H new ATOM 0 HD2 PRO A 61 21.649 -5.289 -0.975 1.00 1.72 H new ATOM 0 HD3 PRO A 61 22.855 -4.956 0.253 1.00 1.72 H new ATOM 914 N PHE A 62 22.342 -3.281 -3.960 1.00 2.29 N ATOM 915 CA PHE A 62 21.820 -2.935 -5.331 1.00 2.55 C ATOM 916 C PHE A 62 20.930 -4.060 -5.867 1.00 2.54 C ATOM 917 O PHE A 62 20.969 -5.180 -5.391 1.00 2.35 O ATOM 918 CB PHE A 62 23.042 -2.785 -6.246 1.00 2.73 C ATOM 919 CG PHE A 62 22.828 -1.632 -7.201 1.00 3.02 C ATOM 920 CD1 PHE A 62 22.760 -0.322 -6.717 1.00 3.14 C ATOM 921 CD2 PHE A 62 22.702 -1.876 -8.575 1.00 3.29 C ATOM 922 CE1 PHE A 62 22.561 0.744 -7.603 1.00 3.47 C ATOM 923 CE2 PHE A 62 22.503 -0.812 -9.461 1.00 3.60 C ATOM 924 CZ PHE A 62 22.434 0.499 -8.976 1.00 3.66 C ATOM 0 H PHE A 62 21.927 -4.115 -3.546 1.00 2.29 H new ATOM 0 HA PHE A 62 21.227 -2.021 -5.292 1.00 2.55 H new ATOM 0 HB2 PHE A 62 23.937 -2.613 -5.648 1.00 2.73 H new ATOM 0 HB3 PHE A 62 23.205 -3.707 -6.805 1.00 2.73 H new ATOM 0 HD1 PHE A 62 22.861 -0.132 -5.659 1.00 3.14 H new ATOM 0 HD2 PHE A 62 22.759 -2.887 -8.951 1.00 3.29 H new ATOM 0 HE1 PHE A 62 22.505 1.755 -7.227 1.00 3.47 H new ATOM 0 HE2 PHE A 62 22.403 -1.002 -10.519 1.00 3.60 H new ATOM 0 HZ PHE A 62 22.283 1.321 -9.660 1.00 3.66 H new ATOM 934 N LEU A 63 20.158 -3.779 -6.883 1.00 2.77 N ATOM 935 CA LEU A 63 19.283 -4.842 -7.479 1.00 2.79 C ATOM 936 C LEU A 63 20.154 -5.949 -8.077 1.00 2.73 C ATOM 937 O LEU A 63 19.861 -7.124 -7.947 1.00 2.57 O ATOM 938 CB LEU A 63 18.461 -4.147 -8.568 1.00 3.11 C ATOM 939 CG LEU A 63 17.256 -3.443 -7.937 1.00 3.22 C ATOM 940 CD1 LEU A 63 17.076 -2.072 -8.586 1.00 3.57 C ATOM 941 CD2 LEU A 63 15.997 -4.281 -8.174 1.00 3.36 C ATOM 0 H LEU A 63 20.092 -2.863 -7.328 1.00 2.77 H new ATOM 0 HA LEU A 63 18.634 -5.305 -6.736 1.00 2.79 H new ATOM 0 HB2 LEU A 63 19.080 -3.423 -9.098 1.00 3.11 H new ATOM 0 HB3 LEU A 63 18.123 -4.877 -9.304 1.00 3.11 H new ATOM 0 HG LEU A 63 17.422 -3.325 -6.866 1.00 3.22 H new ATOM 0 HD11 LEU A 63 16.219 -1.568 -8.139 1.00 3.57 H new ATOM 0 HD12 LEU A 63 17.973 -1.473 -8.427 1.00 3.57 H new ATOM 0 HD13 LEU A 63 16.907 -2.195 -9.656 1.00 3.57 H new ATOM 0 HD21 LEU A 63 15.138 -3.782 -7.726 1.00 3.36 H new ATOM 0 HD22 LEU A 63 15.832 -4.395 -9.245 1.00 3.36 H new ATOM 0 HD23 LEU A 63 16.123 -5.264 -7.720 1.00 3.36 H new ATOM 953 N LEU A 64 21.236 -5.576 -8.710 1.00 2.88 N ATOM 954 CA LEU A 64 22.154 -6.595 -9.301 1.00 2.88 C ATOM 955 C LEU A 64 22.701 -7.498 -8.189 1.00 2.58 C ATOM 956 O LEU A 64 22.762 -8.702 -8.339 1.00 2.50 O ATOM 957 CB LEU A 64 23.282 -5.801 -9.973 1.00 3.11 C ATOM 958 CG LEU A 64 23.627 -6.449 -11.318 1.00 3.66 C ATOM 959 CD1 LEU A 64 23.343 -5.464 -12.453 1.00 3.90 C ATOM 960 CD2 LEU A 64 25.107 -6.826 -11.343 1.00 4.03 C ATOM 0 H LEU A 64 21.524 -4.607 -8.843 1.00 2.88 H new ATOM 0 HA LEU A 64 21.651 -7.240 -10.022 1.00 2.88 H new ATOM 0 HB2 LEU A 64 22.974 -4.766 -10.123 1.00 3.11 H new ATOM 0 HB3 LEU A 64 24.162 -5.782 -9.330 1.00 3.11 H new ATOM 0 HG LEU A 64 23.018 -7.344 -11.448 1.00 3.66 H new ATOM 0 HD11 LEU A 64 23.590 -5.928 -13.408 1.00 3.90 H new ATOM 0 HD12 LEU A 64 22.287 -5.192 -12.443 1.00 3.90 H new ATOM 0 HD13 LEU A 64 23.949 -4.568 -12.318 1.00 3.90 H new ATOM 0 HD21 LEU A 64 25.349 -7.287 -12.301 1.00 4.03 H new ATOM 0 HD22 LEU A 64 25.713 -5.930 -11.208 1.00 4.03 H new ATOM 0 HD23 LEU A 64 25.317 -7.531 -10.538 1.00 4.03 H new ATOM 972 N VAL A 65 23.068 -6.933 -7.062 1.00 2.44 N ATOM 973 CA VAL A 65 23.577 -7.783 -5.938 1.00 2.18 C ATOM 974 C VAL A 65 22.402 -8.513 -5.291 1.00 1.95 C ATOM 975 O VAL A 65 22.501 -9.667 -4.941 1.00 1.80 O ATOM 976 CB VAL A 65 24.236 -6.847 -4.922 1.00 2.14 C ATOM 977 CG1 VAL A 65 25.024 -7.682 -3.909 1.00 1.99 C ATOM 978 CG2 VAL A 65 25.200 -5.884 -5.624 1.00 2.41 C ATOM 0 H VAL A 65 23.038 -5.931 -6.873 1.00 2.44 H new ATOM 0 HA VAL A 65 24.294 -8.523 -6.294 1.00 2.18 H new ATOM 0 HB VAL A 65 23.459 -6.271 -4.420 1.00 2.14 H new ATOM 0 HG11 VAL A 65 25.496 -7.021 -3.182 1.00 1.99 H new ATOM 0 HG12 VAL A 65 24.347 -8.363 -3.394 1.00 1.99 H new ATOM 0 HG13 VAL A 65 25.791 -8.256 -4.429 1.00 1.99 H new ATOM 0 HG21 VAL A 65 25.659 -5.226 -4.886 1.00 2.41 H new ATOM 0 HG22 VAL A 65 25.976 -6.454 -6.135 1.00 2.41 H new ATOM 0 HG23 VAL A 65 24.651 -5.286 -6.351 1.00 2.41 H new ATOM 988 N GLN A 66 21.282 -7.851 -5.157 1.00 1.98 N ATOM 989 CA GLN A 66 20.081 -8.517 -4.563 1.00 1.84 C ATOM 990 C GLN A 66 19.742 -9.756 -5.397 1.00 1.84 C ATOM 991 O GLN A 66 19.468 -10.818 -4.874 1.00 1.65 O ATOM 992 CB GLN A 66 18.960 -7.474 -4.630 1.00 2.05 C ATOM 993 CG GLN A 66 17.775 -7.932 -3.769 1.00 1.96 C ATOM 994 CD GLN A 66 16.475 -7.342 -4.322 1.00 2.25 C ATOM 995 OE1 GLN A 66 15.622 -8.065 -4.803 1.00 2.38 O ATOM 996 NE2 GLN A 66 16.283 -6.060 -4.276 1.00 2.42 N ATOM 0 H GLN A 66 21.146 -6.878 -5.433 1.00 1.98 H new ATOM 0 HA GLN A 66 20.237 -8.847 -3.536 1.00 1.84 H new ATOM 0 HB2 GLN A 66 19.326 -6.509 -4.278 1.00 2.05 H new ATOM 0 HB3 GLN A 66 18.640 -7.336 -5.663 1.00 2.05 H new ATOM 0 HG2 GLN A 66 17.717 -9.020 -3.762 1.00 1.96 H new ATOM 0 HG3 GLN A 66 17.919 -7.614 -2.736 1.00 1.96 H new ATOM 0 HE21 GLN A 66 16.996 -5.452 -3.874 1.00 2.42 H new ATOM 0 HE22 GLN A 66 15.419 -5.660 -4.642 1.00 2.42 H new ATOM 1005 N TYR A 67 19.802 -9.625 -6.693 1.00 2.07 N ATOM 1006 CA TYR A 67 19.530 -10.788 -7.593 1.00 2.10 C ATOM 1007 C TYR A 67 20.728 -11.745 -7.559 1.00 1.97 C ATOM 1008 O TYR A 67 20.576 -12.946 -7.431 1.00 1.83 O ATOM 1009 CB TYR A 67 19.359 -10.175 -8.986 1.00 2.42 C ATOM 1010 CG TYR A 67 18.046 -10.611 -9.593 1.00 2.57 C ATOM 1011 CD1 TYR A 67 16.878 -9.885 -9.334 1.00 3.16 C ATOM 1012 CD2 TYR A 67 17.999 -11.735 -10.425 1.00 2.73 C ATOM 1013 CE1 TYR A 67 15.666 -10.280 -9.912 1.00 3.58 C ATOM 1014 CE2 TYR A 67 16.785 -12.130 -10.999 1.00 3.23 C ATOM 1015 CZ TYR A 67 15.622 -11.403 -10.743 1.00 3.52 C ATOM 1016 OH TYR A 67 14.431 -11.785 -11.315 1.00 4.16 O ATOM 0 H TYR A 67 20.030 -8.755 -7.174 1.00 2.07 H new ATOM 0 HA TYR A 67 18.650 -11.360 -7.298 1.00 2.10 H new ATOM 0 HB2 TYR A 67 19.393 -9.088 -8.919 1.00 2.42 H new ATOM 0 HB3 TYR A 67 20.184 -10.481 -9.629 1.00 2.42 H new ATOM 0 HD1 TYR A 67 16.912 -9.020 -8.688 1.00 3.16 H new ATOM 0 HD2 TYR A 67 18.899 -12.298 -10.624 1.00 2.73 H new ATOM 0 HE1 TYR A 67 14.765 -9.717 -9.716 1.00 3.58 H new ATOM 0 HE2 TYR A 67 16.749 -12.998 -11.640 1.00 3.23 H new ATOM 0 HH TYR A 67 14.573 -12.584 -11.865 1.00 4.16 H new ATOM 1026 N SER A 68 21.918 -11.208 -7.660 1.00 2.07 N ATOM 1027 CA SER A 68 23.153 -12.063 -7.626 1.00 2.05 C ATOM 1028 C SER A 68 23.226 -12.847 -6.313 1.00 1.77 C ATOM 1029 O SER A 68 23.663 -13.974 -6.292 1.00 1.76 O ATOM 1030 CB SER A 68 24.347 -11.106 -7.725 1.00 2.23 C ATOM 1031 OG SER A 68 24.303 -10.408 -8.964 1.00 2.42 O ATOM 0 H SER A 68 22.092 -10.208 -7.765 1.00 2.07 H new ATOM 0 HA SER A 68 23.148 -12.785 -8.443 1.00 2.05 H new ATOM 0 HB2 SER A 68 24.327 -10.397 -6.897 1.00 2.23 H new ATOM 0 HB3 SER A 68 25.280 -11.664 -7.644 1.00 2.23 H new ATOM 0 HG SER A 68 23.998 -9.489 -8.811 1.00 2.42 H new ATOM 1037 N ALA A 69 22.818 -12.259 -5.214 1.00 1.61 N ATOM 1038 CA ALA A 69 22.883 -12.987 -3.908 1.00 1.39 C ATOM 1039 C ALA A 69 21.644 -13.870 -3.701 1.00 1.23 C ATOM 1040 O ALA A 69 21.751 -15.022 -3.317 1.00 1.14 O ATOM 1041 CB ALA A 69 22.952 -11.892 -2.841 1.00 1.34 C ATOM 0 H ALA A 69 22.445 -11.311 -5.165 1.00 1.61 H new ATOM 0 HA ALA A 69 23.742 -13.656 -3.865 1.00 1.39 H new ATOM 0 HB1 ALA A 69 23.002 -12.349 -1.853 1.00 1.34 H new ATOM 0 HB2 ALA A 69 23.840 -11.281 -3.003 1.00 1.34 H new ATOM 0 HB3 ALA A 69 22.063 -11.264 -2.906 1.00 1.34 H new ATOM 1047 N LYS A 70 20.473 -13.341 -3.948 1.00 1.27 N ATOM 1048 CA LYS A 70 19.228 -14.156 -3.750 1.00 1.21 C ATOM 1049 C LYS A 70 19.175 -15.336 -4.730 1.00 1.22 C ATOM 1050 O LYS A 70 18.705 -16.401 -4.386 1.00 1.15 O ATOM 1051 CB LYS A 70 18.044 -13.192 -3.959 1.00 1.43 C ATOM 1052 CG LYS A 70 17.585 -13.193 -5.425 1.00 1.66 C ATOM 1053 CD LYS A 70 16.258 -12.437 -5.551 1.00 1.96 C ATOM 1054 CE LYS A 70 16.458 -10.978 -5.145 1.00 1.97 C ATOM 1055 NZ LYS A 70 15.135 -10.330 -5.368 1.00 2.37 N ATOM 0 H LYS A 70 20.321 -12.387 -4.276 1.00 1.27 H new ATOM 0 HA LYS A 70 19.199 -14.596 -2.753 1.00 1.21 H new ATOM 0 HB2 LYS A 70 17.215 -13.484 -3.314 1.00 1.43 H new ATOM 0 HB3 LYS A 70 18.336 -12.183 -3.666 1.00 1.43 H new ATOM 0 HG2 LYS A 70 18.342 -12.725 -6.054 1.00 1.66 H new ATOM 0 HG3 LYS A 70 17.466 -14.217 -5.778 1.00 1.66 H new ATOM 0 HD2 LYS A 70 15.892 -12.493 -6.576 1.00 1.96 H new ATOM 0 HD3 LYS A 70 15.502 -12.901 -4.917 1.00 1.96 H new ATOM 0 HE2 LYS A 70 16.766 -10.897 -4.103 1.00 1.97 H new ATOM 0 HE3 LYS A 70 17.235 -10.505 -5.745 1.00 1.97 H new ATOM 0 HZ1 LYS A 70 15.189 -9.328 -5.095 1.00 2.37 H new ATOM 0 HZ2 LYS A 70 14.878 -10.401 -6.373 1.00 2.37 H new ATOM 0 HZ3 LYS A 70 14.413 -10.808 -4.792 1.00 2.37 H new ATOM 1069 N GLY A 71 19.653 -15.157 -5.937 1.00 1.39 N ATOM 1070 CA GLY A 71 19.634 -16.274 -6.941 1.00 1.46 C ATOM 1071 C GLY A 71 20.202 -17.548 -6.310 1.00 1.28 C ATOM 1072 O GLY A 71 19.491 -18.523 -6.141 1.00 1.18 O ATOM 0 H GLY A 71 20.058 -14.283 -6.274 1.00 1.39 H new ATOM 0 HA2 GLY A 71 18.614 -16.450 -7.283 1.00 1.46 H new ATOM 0 HA3 GLY A 71 20.221 -15.998 -7.817 1.00 1.46 H new ATOM 1076 N PRO A 72 21.465 -17.497 -5.957 1.00 1.30 N ATOM 1077 CA PRO A 72 22.121 -18.666 -5.315 1.00 1.26 C ATOM 1078 C PRO A 72 21.505 -18.928 -3.931 1.00 1.04 C ATOM 1079 O PRO A 72 21.326 -20.066 -3.542 1.00 1.02 O ATOM 1080 CB PRO A 72 23.588 -18.250 -5.221 1.00 1.46 C ATOM 1081 CG PRO A 72 23.558 -16.758 -5.240 1.00 1.47 C ATOM 1082 CD PRO A 72 22.394 -16.372 -6.113 1.00 1.46 C ATOM 0 HA PRO A 72 21.997 -19.596 -5.870 1.00 1.26 H new ATOM 0 HB2 PRO A 72 24.049 -18.626 -4.307 1.00 1.46 H new ATOM 0 HB3 PRO A 72 24.167 -18.646 -6.056 1.00 1.46 H new ATOM 0 HG2 PRO A 72 23.439 -16.358 -4.233 1.00 1.47 H new ATOM 0 HG3 PRO A 72 24.491 -16.355 -5.634 1.00 1.47 H new ATOM 0 HD2 PRO A 72 21.945 -15.432 -5.792 1.00 1.46 H new ATOM 0 HD3 PRO A 72 22.697 -16.242 -7.152 1.00 1.46 H new ATOM 1090 N CYS A 73 21.156 -17.897 -3.194 1.00 0.96 N ATOM 1091 CA CYS A 73 20.526 -18.127 -1.855 1.00 0.89 C ATOM 1092 C CYS A 73 19.197 -18.869 -2.033 1.00 0.85 C ATOM 1093 O CYS A 73 18.918 -19.840 -1.351 1.00 0.89 O ATOM 1094 CB CYS A 73 20.297 -16.735 -1.256 1.00 0.91 C ATOM 1095 SG CYS A 73 20.327 -16.848 0.551 1.00 1.41 S ATOM 0 H CYS A 73 21.279 -16.920 -3.458 1.00 0.96 H new ATOM 0 HA CYS A 73 21.153 -18.735 -1.203 1.00 0.89 H new ATOM 0 HB2 CYS A 73 21.068 -16.047 -1.602 1.00 0.91 H new ATOM 0 HB3 CYS A 73 19.340 -16.335 -1.591 1.00 0.91 H new ATOM 0 HG CYS A 73 20.135 -15.668 1.063 1.00 1.41 H new ATOM 1101 N VAL A 74 18.391 -18.433 -2.964 1.00 0.90 N ATOM 1102 CA VAL A 74 17.086 -19.119 -3.218 1.00 0.99 C ATOM 1103 C VAL A 74 17.349 -20.499 -3.816 1.00 0.90 C ATOM 1104 O VAL A 74 16.804 -21.490 -3.369 1.00 0.94 O ATOM 1105 CB VAL A 74 16.326 -18.217 -4.199 1.00 1.20 C ATOM 1106 CG1 VAL A 74 15.130 -18.974 -4.784 1.00 1.40 C ATOM 1107 CG2 VAL A 74 15.812 -16.978 -3.460 1.00 1.38 C ATOM 0 H VAL A 74 18.579 -17.629 -3.563 1.00 0.90 H new ATOM 0 HA VAL A 74 16.506 -19.270 -2.308 1.00 0.99 H new ATOM 0 HB VAL A 74 17.000 -17.920 -5.002 1.00 1.20 H new ATOM 0 HG11 VAL A 74 14.595 -18.327 -5.480 1.00 1.40 H new ATOM 0 HG12 VAL A 74 15.483 -19.861 -5.311 1.00 1.40 H new ATOM 0 HG13 VAL A 74 14.460 -19.274 -3.978 1.00 1.40 H new ATOM 0 HG21 VAL A 74 15.272 -16.337 -4.157 1.00 1.38 H new ATOM 0 HG22 VAL A 74 15.143 -17.285 -2.656 1.00 1.38 H new ATOM 0 HG23 VAL A 74 16.655 -16.429 -3.040 1.00 1.38 H new ATOM 1117 N GLU A 75 18.203 -20.573 -4.804 1.00 0.88 N ATOM 1118 CA GLU A 75 18.526 -21.903 -5.410 1.00 0.86 C ATOM 1119 C GLU A 75 19.056 -22.843 -4.322 1.00 0.82 C ATOM 1120 O GLU A 75 18.710 -24.009 -4.270 1.00 0.84 O ATOM 1121 CB GLU A 75 19.601 -21.632 -6.469 1.00 1.03 C ATOM 1122 CG GLU A 75 19.716 -22.851 -7.400 1.00 1.13 C ATOM 1123 CD GLU A 75 21.126 -22.937 -7.988 1.00 1.30 C ATOM 1124 OE1 GLU A 75 21.571 -21.962 -8.578 1.00 1.50 O ATOM 1125 OE2 GLU A 75 21.733 -23.989 -7.857 1.00 1.46 O ATOM 0 H GLU A 75 18.689 -19.777 -5.216 1.00 0.88 H new ATOM 0 HA GLU A 75 17.652 -22.378 -5.856 1.00 0.86 H new ATOM 0 HB2 GLU A 75 19.344 -20.743 -7.045 1.00 1.03 H new ATOM 0 HB3 GLU A 75 20.559 -21.435 -5.989 1.00 1.03 H new ATOM 0 HG2 GLU A 75 19.489 -23.762 -6.847 1.00 1.13 H new ATOM 0 HG3 GLU A 75 18.983 -22.774 -8.203 1.00 1.13 H new ATOM 1132 N ARG A 76 19.874 -22.332 -3.438 1.00 0.88 N ATOM 1133 CA ARG A 76 20.414 -23.175 -2.331 1.00 1.04 C ATOM 1134 C ARG A 76 19.268 -23.607 -1.413 1.00 1.08 C ATOM 1135 O ARG A 76 19.171 -24.754 -1.027 1.00 1.21 O ATOM 1136 CB ARG A 76 21.408 -22.287 -1.578 1.00 1.16 C ATOM 1137 CG ARG A 76 22.199 -23.140 -0.573 1.00 1.47 C ATOM 1138 CD ARG A 76 22.596 -22.287 0.634 1.00 1.64 C ATOM 1139 NE ARG A 76 24.013 -21.892 0.373 1.00 1.87 N ATOM 1140 CZ ARG A 76 24.339 -20.638 0.315 1.00 1.91 C ATOM 1141 NH1 ARG A 76 24.074 -19.953 -0.748 1.00 2.53 N ATOM 1142 NH2 ARG A 76 24.926 -20.078 1.324 1.00 1.93 N ATOM 0 H ARG A 76 20.192 -21.363 -3.436 1.00 0.88 H new ATOM 0 HA ARG A 76 20.898 -24.080 -2.698 1.00 1.04 H new ATOM 0 HB2 ARG A 76 22.090 -21.809 -2.281 1.00 1.16 H new ATOM 0 HB3 ARG A 76 20.878 -21.490 -1.057 1.00 1.16 H new ATOM 0 HG2 ARG A 76 21.596 -23.988 -0.248 1.00 1.47 H new ATOM 0 HG3 ARG A 76 23.090 -23.547 -1.050 1.00 1.47 H new ATOM 0 HD2 ARG A 76 21.953 -21.412 0.729 1.00 1.64 H new ATOM 0 HD3 ARG A 76 22.507 -22.850 1.563 1.00 1.64 H new ATOM 0 HE ARG A 76 24.725 -22.610 0.240 1.00 1.87 H new ATOM 0 HH11 ARG A 76 23.609 -20.399 -1.539 1.00 2.53 H new ATOM 0 HH12 ARG A 76 24.329 -18.967 -0.796 1.00 2.53 H new ATOM 0 HH21 ARG A 76 25.131 -20.623 2.162 1.00 1.93 H new ATOM 0 HH22 ARG A 76 25.184 -19.092 1.281 1.00 1.93 H new ATOM 1156 N LYS A 77 18.386 -22.699 -1.077 1.00 1.07 N ATOM 1157 CA LYS A 77 17.235 -23.067 -0.203 1.00 1.25 C ATOM 1158 C LYS A 77 16.317 -24.051 -0.940 1.00 1.23 C ATOM 1159 O LYS A 77 15.800 -24.989 -0.353 1.00 1.41 O ATOM 1160 CB LYS A 77 16.516 -21.749 0.102 1.00 1.32 C ATOM 1161 CG LYS A 77 16.856 -21.302 1.524 1.00 1.56 C ATOM 1162 CD LYS A 77 15.642 -21.491 2.435 1.00 1.69 C ATOM 1163 CE LYS A 77 15.567 -22.946 2.911 1.00 2.65 C ATOM 1164 NZ LYS A 77 14.683 -23.651 1.933 1.00 2.65 N ATOM 0 H LYS A 77 18.415 -21.722 -1.370 1.00 1.07 H new ATOM 0 HA LYS A 77 17.549 -23.561 0.717 1.00 1.25 H new ATOM 0 HB2 LYS A 77 16.817 -20.984 -0.613 1.00 1.32 H new ATOM 0 HB3 LYS A 77 15.439 -21.877 -0.003 1.00 1.32 H new ATOM 0 HG2 LYS A 77 17.699 -21.879 1.904 1.00 1.56 H new ATOM 0 HG3 LYS A 77 17.161 -20.255 1.522 1.00 1.56 H new ATOM 0 HD2 LYS A 77 15.713 -20.822 3.293 1.00 1.69 H new ATOM 0 HD3 LYS A 77 14.730 -21.227 1.899 1.00 1.69 H new ATOM 0 HE2 LYS A 77 16.558 -23.399 2.940 1.00 2.65 H new ATOM 0 HE3 LYS A 77 15.160 -23.006 3.920 1.00 2.65 H new ATOM 0 HZ1 LYS A 77 13.995 -24.237 2.447 1.00 2.65 H new ATOM 0 HZ2 LYS A 77 14.177 -22.950 1.354 1.00 2.65 H new ATOM 0 HZ3 LYS A 77 15.261 -24.257 1.316 1.00 2.65 H new ATOM 1178 N ALA A 78 16.126 -23.849 -2.217 1.00 1.06 N ATOM 1179 CA ALA A 78 15.259 -24.773 -3.013 1.00 1.08 C ATOM 1180 C ALA A 78 15.923 -26.146 -3.130 1.00 1.03 C ATOM 1181 O ALA A 78 15.323 -27.167 -2.845 1.00 1.15 O ATOM 1182 CB ALA A 78 15.133 -24.116 -4.391 1.00 1.05 C ATOM 0 H ALA A 78 16.535 -23.080 -2.748 1.00 1.06 H new ATOM 0 HA ALA A 78 14.285 -24.929 -2.549 1.00 1.08 H new ATOM 0 HB1 ALA A 78 14.509 -24.737 -5.034 1.00 1.05 H new ATOM 0 HB2 ALA A 78 14.678 -23.131 -4.284 1.00 1.05 H new ATOM 0 HB3 ALA A 78 16.122 -24.012 -4.836 1.00 1.05 H new ATOM 1188 N LYS A 79 17.166 -26.170 -3.535 1.00 0.93 N ATOM 1189 CA LYS A 79 17.893 -27.474 -3.665 1.00 1.00 C ATOM 1190 C LYS A 79 18.071 -28.122 -2.278 1.00 1.24 C ATOM 1191 O LYS A 79 18.077 -29.330 -2.152 1.00 1.40 O ATOM 1192 CB LYS A 79 19.238 -27.132 -4.338 1.00 1.03 C ATOM 1193 CG LYS A 79 20.281 -26.703 -3.301 1.00 1.21 C ATOM 1194 CD LYS A 79 21.647 -26.553 -3.986 1.00 1.34 C ATOM 1195 CE LYS A 79 21.637 -25.326 -4.906 1.00 1.18 C ATOM 1196 NZ LYS A 79 21.989 -25.846 -6.262 1.00 1.56 N ATOM 0 H LYS A 79 17.712 -25.344 -3.782 1.00 0.93 H new ATOM 0 HA LYS A 79 17.347 -28.204 -4.263 1.00 1.00 H new ATOM 0 HB2 LYS A 79 19.603 -27.999 -4.889 1.00 1.03 H new ATOM 0 HB3 LYS A 79 19.092 -26.332 -5.064 1.00 1.03 H new ATOM 0 HG2 LYS A 79 19.987 -25.760 -2.841 1.00 1.21 H new ATOM 0 HG3 LYS A 79 20.341 -27.442 -2.502 1.00 1.21 H new ATOM 0 HD2 LYS A 79 22.431 -26.449 -3.235 1.00 1.34 H new ATOM 0 HD3 LYS A 79 21.875 -27.449 -4.563 1.00 1.34 H new ATOM 0 HE2 LYS A 79 20.658 -24.846 -4.911 1.00 1.18 H new ATOM 0 HE3 LYS A 79 22.357 -24.579 -4.572 1.00 1.18 H new ATOM 0 HZ1 LYS A 79 22.084 -25.050 -6.925 1.00 1.56 H new ATOM 0 HZ2 LYS A 79 22.889 -26.364 -6.212 1.00 1.56 H new ATOM 0 HZ3 LYS A 79 21.239 -26.486 -6.594 1.00 1.56 H new ATOM 1210 N LEU A 80 18.188 -27.327 -1.237 1.00 1.32 N ATOM 1211 CA LEU A 80 18.330 -27.894 0.139 1.00 1.62 C ATOM 1212 C LEU A 80 16.960 -28.384 0.648 1.00 1.75 C ATOM 1213 O LEU A 80 16.879 -29.283 1.462 1.00 1.99 O ATOM 1214 CB LEU A 80 18.868 -26.739 0.997 1.00 1.69 C ATOM 1215 CG LEU A 80 19.160 -27.229 2.422 1.00 2.03 C ATOM 1216 CD1 LEU A 80 20.670 -27.284 2.648 1.00 2.33 C ATOM 1217 CD2 LEU A 80 18.544 -26.259 3.431 1.00 2.26 C ATOM 0 H LEU A 80 18.191 -26.308 -1.285 1.00 1.32 H new ATOM 0 HA LEU A 80 19.000 -28.753 0.172 1.00 1.62 H new ATOM 0 HB2 LEU A 80 19.777 -26.337 0.550 1.00 1.69 H new ATOM 0 HB3 LEU A 80 18.140 -25.928 1.025 1.00 1.69 H new ATOM 0 HG LEU A 80 18.732 -28.223 2.553 1.00 2.03 H new ATOM 0 HD11 LEU A 80 20.874 -27.632 3.661 1.00 2.33 H new ATOM 0 HD12 LEU A 80 21.121 -27.970 1.931 1.00 2.33 H new ATOM 0 HD13 LEU A 80 21.094 -26.289 2.514 1.00 2.33 H new ATOM 0 HD21 LEU A 80 18.751 -26.607 4.443 1.00 2.26 H new ATOM 0 HD22 LEU A 80 18.975 -25.268 3.293 1.00 2.26 H new ATOM 0 HD23 LEU A 80 17.466 -26.210 3.278 1.00 2.26 H new ATOM 1229 N MET A 81 15.887 -27.803 0.162 1.00 1.64 N ATOM 1230 CA MET A 81 14.520 -28.238 0.601 1.00 1.84 C ATOM 1231 C MET A 81 14.017 -29.415 -0.262 1.00 1.74 C ATOM 1232 O MET A 81 13.409 -30.340 0.241 1.00 1.87 O ATOM 1233 CB MET A 81 13.626 -27.008 0.409 1.00 1.85 C ATOM 1234 CG MET A 81 12.250 -27.268 1.032 1.00 2.22 C ATOM 1235 SD MET A 81 11.703 -25.792 1.920 1.00 2.42 S ATOM 1236 CE MET A 81 10.428 -26.595 2.919 1.00 2.91 C ATOM 0 H MET A 81 15.899 -27.045 -0.521 1.00 1.64 H new ATOM 0 HA MET A 81 14.518 -28.587 1.634 1.00 1.84 H new ATOM 0 HB2 MET A 81 14.087 -26.136 0.872 1.00 1.85 H new ATOM 0 HB3 MET A 81 13.519 -26.786 -0.653 1.00 1.85 H new ATOM 0 HG2 MET A 81 11.530 -27.526 0.255 1.00 2.22 H new ATOM 0 HG3 MET A 81 12.302 -28.117 1.713 1.00 2.22 H new ATOM 0 HE1 MET A 81 9.947 -25.855 3.559 1.00 2.91 H new ATOM 0 HE2 MET A 81 9.683 -27.047 2.264 1.00 2.91 H new ATOM 0 HE3 MET A 81 10.884 -27.368 3.538 1.00 2.91 H new ATOM 1246 N THR A 82 14.261 -29.378 -1.554 1.00 1.54 N ATOM 1247 CA THR A 82 13.794 -30.492 -2.458 1.00 1.45 C ATOM 1248 C THR A 82 14.433 -31.841 -2.057 1.00 1.51 C ATOM 1249 O THR A 82 15.557 -31.876 -1.598 1.00 1.62 O ATOM 1250 CB THR A 82 14.238 -30.077 -3.870 1.00 1.40 C ATOM 1251 OG1 THR A 82 13.657 -30.950 -4.824 1.00 1.35 O ATOM 1252 CG2 THR A 82 15.760 -30.151 -3.990 1.00 1.49 C ATOM 0 H THR A 82 14.763 -28.626 -2.025 1.00 1.54 H new ATOM 0 HA THR A 82 12.716 -30.636 -2.394 1.00 1.45 H new ATOM 0 HB THR A 82 13.912 -29.053 -4.053 1.00 1.40 H new ATOM 0 HG1 THR A 82 12.734 -30.674 -5.001 1.00 1.35 H new ATOM 0 HG21 THR A 82 16.061 -29.855 -4.995 1.00 1.49 H new ATOM 0 HG22 THR A 82 16.215 -29.480 -3.262 1.00 1.49 H new ATOM 0 HG23 THR A 82 16.091 -31.172 -3.799 1.00 1.49 H new ATOM 1260 N PRO A 83 13.685 -32.915 -2.240 1.00 1.50 N ATOM 1261 CA PRO A 83 14.192 -34.277 -1.883 1.00 1.61 C ATOM 1262 C PRO A 83 15.155 -34.854 -2.941 1.00 1.63 C ATOM 1263 O PRO A 83 15.489 -36.021 -2.883 1.00 1.75 O ATOM 1264 CB PRO A 83 12.920 -35.118 -1.825 1.00 1.63 C ATOM 1265 CG PRO A 83 11.942 -34.425 -2.723 1.00 1.50 C ATOM 1266 CD PRO A 83 12.318 -32.965 -2.776 1.00 1.43 C ATOM 0 HA PRO A 83 14.765 -34.261 -0.956 1.00 1.61 H new ATOM 0 HB2 PRO A 83 13.108 -36.138 -2.162 1.00 1.63 H new ATOM 0 HB3 PRO A 83 12.539 -35.184 -0.806 1.00 1.63 H new ATOM 0 HG2 PRO A 83 11.965 -34.862 -3.721 1.00 1.50 H new ATOM 0 HG3 PRO A 83 10.926 -34.544 -2.346 1.00 1.50 H new ATOM 0 HD2 PRO A 83 12.278 -32.582 -3.796 1.00 1.43 H new ATOM 0 HD3 PRO A 83 11.636 -32.358 -2.180 1.00 1.43 H new ATOM 1274 N ASN A 84 15.586 -34.062 -3.904 1.00 1.58 N ATOM 1275 CA ASN A 84 16.517 -34.561 -4.984 1.00 1.67 C ATOM 1276 C ASN A 84 16.126 -35.968 -5.487 1.00 1.72 C ATOM 1277 O ASN A 84 16.966 -36.737 -5.921 1.00 1.88 O ATOM 1278 CB ASN A 84 17.938 -34.542 -4.374 1.00 1.85 C ATOM 1279 CG ASN A 84 18.104 -35.604 -3.277 1.00 2.00 C ATOM 1280 OD1 ASN A 84 18.192 -35.275 -2.113 1.00 2.06 O ATOM 1281 ND2 ASN A 84 18.170 -36.865 -3.597 1.00 2.12 N ATOM 0 H ASN A 84 15.330 -33.078 -3.990 1.00 1.58 H new ATOM 0 HA ASN A 84 16.461 -33.922 -5.865 1.00 1.67 H new ATOM 0 HB2 ASN A 84 18.673 -34.714 -5.160 1.00 1.85 H new ATOM 0 HB3 ASN A 84 18.141 -33.555 -3.958 1.00 1.85 H new ATOM 0 HD21 ASN A 84 18.295 -37.570 -2.870 1.00 2.12 H new ATOM 0 HD22 ASN A 84 18.097 -37.148 -4.574 1.00 2.12 H new ATOM 1288 N GLY A 85 14.860 -36.303 -5.437 1.00 1.63 N ATOM 1289 CA GLY A 85 14.412 -37.650 -5.915 1.00 1.71 C ATOM 1290 C GLY A 85 13.196 -37.487 -6.834 1.00 1.62 C ATOM 1291 O GLY A 85 13.350 -37.270 -8.019 1.00 1.62 O ATOM 0 H GLY A 85 14.115 -35.701 -5.085 1.00 1.63 H new ATOM 0 HA2 GLY A 85 15.222 -38.146 -6.450 1.00 1.71 H new ATOM 0 HA3 GLY A 85 14.157 -38.283 -5.065 1.00 1.71 H new ATOM 1295 N PRO A 86 12.021 -37.592 -6.256 1.00 1.63 N ATOM 1296 CA PRO A 86 10.775 -37.442 -7.045 1.00 1.62 C ATOM 1297 C PRO A 86 10.458 -35.942 -7.259 1.00 1.36 C ATOM 1298 O PRO A 86 11.139 -35.277 -8.017 1.00 1.43 O ATOM 1299 CB PRO A 86 9.731 -38.158 -6.186 1.00 1.86 C ATOM 1300 CG PRO A 86 10.252 -38.095 -4.779 1.00 1.94 C ATOM 1301 CD PRO A 86 11.745 -37.868 -4.841 1.00 1.81 C ATOM 0 HA PRO A 86 10.824 -37.862 -8.050 1.00 1.62 H new ATOM 0 HB2 PRO A 86 8.758 -37.672 -6.266 1.00 1.86 H new ATOM 0 HB3 PRO A 86 9.599 -39.191 -6.509 1.00 1.86 H new ATOM 0 HG2 PRO A 86 9.767 -37.288 -4.229 1.00 1.94 H new ATOM 0 HG3 PRO A 86 10.029 -39.021 -4.249 1.00 1.94 H new ATOM 0 HD2 PRO A 86 12.045 -37.032 -4.209 1.00 1.81 H new ATOM 0 HD3 PRO A 86 12.294 -38.744 -4.494 1.00 1.81 H new ATOM 1309 N GLU A 87 9.436 -35.406 -6.615 1.00 1.23 N ATOM 1310 CA GLU A 87 9.063 -33.956 -6.783 1.00 1.14 C ATOM 1311 C GLU A 87 8.597 -33.675 -8.215 1.00 1.15 C ATOM 1312 O GLU A 87 7.487 -33.235 -8.445 1.00 1.30 O ATOM 1313 CB GLU A 87 10.325 -33.154 -6.437 1.00 1.20 C ATOM 1314 CG GLU A 87 9.953 -31.684 -6.216 1.00 1.19 C ATOM 1315 CD GLU A 87 10.335 -31.260 -4.801 1.00 1.28 C ATOM 1316 OE1 GLU A 87 9.738 -31.770 -3.866 1.00 1.41 O ATOM 1317 OE2 GLU A 87 11.227 -30.438 -4.676 1.00 1.39 O ATOM 0 H GLU A 87 8.837 -35.922 -5.971 1.00 1.23 H new ATOM 0 HA GLU A 87 8.232 -33.678 -6.134 1.00 1.14 H new ATOM 0 HB2 GLU A 87 10.792 -33.561 -5.540 1.00 1.20 H new ATOM 0 HB3 GLU A 87 11.054 -33.238 -7.243 1.00 1.20 H new ATOM 0 HG2 GLU A 87 10.466 -31.056 -6.944 1.00 1.19 H new ATOM 0 HG3 GLU A 87 8.883 -31.543 -6.371 1.00 1.19 H new ATOM 1324 N VAL A 88 9.431 -33.953 -9.167 1.00 1.25 N ATOM 1325 CA VAL A 88 9.064 -33.739 -10.604 1.00 1.52 C ATOM 1326 C VAL A 88 8.899 -35.096 -11.317 1.00 1.61 C ATOM 1327 O VAL A 88 8.241 -35.195 -12.336 1.00 1.87 O ATOM 1328 CB VAL A 88 10.219 -32.915 -11.202 1.00 1.82 C ATOM 1329 CG1 VAL A 88 11.509 -33.741 -11.229 1.00 1.99 C ATOM 1330 CG2 VAL A 88 9.863 -32.494 -12.631 1.00 2.25 C ATOM 0 H VAL A 88 10.369 -34.326 -9.018 1.00 1.25 H new ATOM 0 HA VAL A 88 8.114 -33.217 -10.720 1.00 1.52 H new ATOM 0 HB VAL A 88 10.374 -32.032 -10.581 1.00 1.82 H new ATOM 0 HG11 VAL A 88 12.315 -33.143 -11.655 1.00 1.99 H new ATOM 0 HG12 VAL A 88 11.773 -34.036 -10.214 1.00 1.99 H new ATOM 0 HG13 VAL A 88 11.358 -34.632 -11.838 1.00 1.99 H new ATOM 0 HG21 VAL A 88 10.681 -31.911 -13.053 1.00 2.25 H new ATOM 0 HG22 VAL A 88 9.698 -33.382 -13.241 1.00 2.25 H new ATOM 0 HG23 VAL A 88 8.956 -31.889 -12.617 1.00 2.25 H new ATOM 1340 N HIS A 89 9.476 -36.143 -10.774 1.00 1.55 N ATOM 1341 CA HIS A 89 9.345 -37.496 -11.393 1.00 1.79 C ATOM 1342 C HIS A 89 8.668 -38.454 -10.402 1.00 1.75 C ATOM 1343 O HIS A 89 8.699 -38.241 -9.204 1.00 1.67 O ATOM 1344 CB HIS A 89 10.785 -37.944 -11.667 1.00 2.07 C ATOM 1345 CG HIS A 89 10.797 -39.092 -12.642 1.00 2.50 C ATOM 1346 ND1 HIS A 89 10.461 -40.389 -12.275 1.00 2.65 N ATOM 1347 CD2 HIS A 89 11.116 -39.155 -13.975 1.00 2.96 C ATOM 1348 CE1 HIS A 89 10.590 -41.164 -13.367 1.00 3.09 C ATOM 1349 NE2 HIS A 89 10.986 -40.463 -14.430 1.00 3.30 N ATOM 0 H HIS A 89 10.036 -36.115 -9.922 1.00 1.55 H new ATOM 0 HA HIS A 89 8.741 -37.485 -12.300 1.00 1.79 H new ATOM 0 HB2 HIS A 89 11.362 -37.111 -12.068 1.00 2.07 H new ATOM 0 HB3 HIS A 89 11.264 -38.244 -10.735 1.00 2.07 H new ATOM 0 HD1 HIS A 89 10.170 -40.697 -11.347 1.00 2.65 H new ATOM 0 HD2 HIS A 89 11.422 -38.315 -14.580 1.00 2.96 H new ATOM 0 HE1 HIS A 89 10.396 -42.226 -13.381 1.00 3.09 H new ATOM 1357 N GLY A 90 8.073 -39.508 -10.891 1.00 2.01 N ATOM 1358 CA GLY A 90 7.410 -40.491 -9.979 1.00 2.20 C ATOM 1359 C GLY A 90 8.243 -41.775 -9.910 1.00 2.43 C ATOM 1360 O GLY A 90 7.669 -42.811 -9.626 1.00 2.84 O ATOM 1361 OXT GLY A 90 9.444 -41.700 -10.143 1.00 2.53 O ATOM 0 H GLY A 90 8.016 -39.733 -11.884 1.00 2.01 H new ATOM 0 HA2 GLY A 90 7.302 -40.062 -8.983 1.00 2.20 H new ATOM 0 HA3 GLY A 90 6.406 -40.716 -10.339 1.00 2.20 H new TER 1365 GLY A 90