USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 691 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 GLN : amide:sc= 0.699 K(o=1.1,f=-18!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ 154:sc= 0.45! (180deg=0) USER MOD Set 2.1: A 8 HIS : no HD1:sc= 0 X(o=-0.091,f=-0.29) USER MOD Set 2.2: A 11 THR OG1 : rot 77:sc= -1.02 USER MOD Set 2.3: A 12 THR OG1 : rot 121:sc= 0.924 USER MOD Set 3.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 4 SER OG : rot -68:sc= 0.54 USER MOD Set 4.1: A 1 GLY N :NH3+ -125:sc= 1.19! (180deg=0.54) USER MOD Set 4.2: A 9 SER OG : rot 160:sc= -0.177! USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 103:sc= 0.95 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -1.12 K(o=-1.1,f=-6.6!) USER MOD Single : A 44 SER OG : rot 35:sc= 0.302 USER MOD Single : A 45 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.1) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -150:sc= 1.82 (180deg=-1.78!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 73:sc= 0.679 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 160:sc= 0.348 (180deg=0.0337) USER MOD Single : A 79 LYS NZ :NH3+ 156:sc= 1.03 (180deg=0.881) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 31:sc= 0.387 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 89 HIS : no HE2:sc= 0.652 K(o=0.65,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.480 -30.598 -6.677 1.00 3.15 N ATOM 2 CA GLY A 1 7.849 -31.188 -6.790 1.00 3.54 C ATOM 3 C GLY A 1 7.733 -32.701 -6.992 1.00 3.68 C ATOM 4 O GLY A 1 7.430 -33.429 -6.070 1.00 3.61 O ATOM 0 H1 GLY A 1 6.368 -29.842 -7.383 1.00 3.15 H new ATOM 0 H2 GLY A 1 5.768 -31.337 -6.846 1.00 3.15 H new ATOM 0 H3 GLY A 1 6.350 -30.203 -5.724 1.00 3.15 H new ATOM 0 HA2 GLY A 1 8.384 -30.738 -7.626 1.00 3.54 H new ATOM 0 HA3 GLY A 1 8.426 -30.973 -5.890 1.00 3.54 H new ATOM 10 N SER A 2 7.959 -33.168 -8.203 1.00 3.94 N ATOM 11 CA SER A 2 7.853 -34.637 -8.516 1.00 4.16 C ATOM 12 C SER A 2 6.380 -35.066 -8.558 1.00 3.85 C ATOM 13 O SER A 2 5.817 -35.498 -7.570 1.00 3.68 O ATOM 14 CB SER A 2 8.611 -35.376 -7.406 1.00 4.43 C ATOM 15 OG SER A 2 8.999 -36.658 -7.884 1.00 4.88 O ATOM 0 H SER A 2 8.216 -32.585 -8.999 1.00 3.94 H new ATOM 0 HA SER A 2 8.280 -34.868 -9.492 1.00 4.16 H new ATOM 0 HB2 SER A 2 9.489 -34.805 -7.105 1.00 4.43 H new ATOM 0 HB3 SER A 2 7.980 -35.479 -6.523 1.00 4.43 H new ATOM 0 HG SER A 2 9.486 -37.136 -7.180 1.00 4.88 H new ATOM 21 N MET A 3 5.755 -34.944 -9.710 1.00 3.85 N ATOM 22 CA MET A 3 4.311 -35.335 -9.844 1.00 3.62 C ATOM 23 C MET A 3 4.136 -36.832 -9.551 1.00 3.73 C ATOM 24 O MET A 3 4.173 -37.664 -10.436 1.00 4.08 O ATOM 25 CB MET A 3 3.936 -35.010 -11.294 1.00 3.80 C ATOM 26 CG MET A 3 3.639 -33.512 -11.419 1.00 3.59 C ATOM 27 SD MET A 3 1.910 -33.273 -11.902 1.00 3.43 S ATOM 28 CE MET A 3 1.444 -32.170 -10.540 1.00 2.95 C ATOM 0 H MET A 3 6.184 -34.590 -10.565 1.00 3.85 H new ATOM 0 HA MET A 3 3.673 -34.803 -9.139 1.00 3.62 H new ATOM 0 HB2 MET A 3 4.751 -35.288 -11.963 1.00 3.80 H new ATOM 0 HB3 MET A 3 3.064 -35.591 -11.595 1.00 3.80 H new ATOM 0 HG2 MET A 3 3.834 -33.012 -10.470 1.00 3.59 H new ATOM 0 HG3 MET A 3 4.300 -33.061 -12.159 1.00 3.59 H new ATOM 0 HE1 MET A 3 0.395 -31.891 -10.640 1.00 2.95 H new ATOM 0 HE2 MET A 3 1.594 -32.682 -9.590 1.00 2.95 H new ATOM 0 HE3 MET A 3 2.063 -31.273 -10.570 1.00 2.95 H new ATOM 38 N SER A 4 3.969 -37.167 -8.302 1.00 3.51 N ATOM 39 CA SER A 4 3.808 -38.596 -7.900 1.00 3.65 C ATOM 40 C SER A 4 2.948 -38.669 -6.637 1.00 3.28 C ATOM 41 O SER A 4 1.765 -38.941 -6.691 1.00 3.08 O ATOM 42 CB SER A 4 5.241 -39.071 -7.633 1.00 4.08 C ATOM 43 OG SER A 4 5.841 -38.234 -6.640 1.00 4.01 O ATOM 0 H SER A 4 3.937 -36.502 -7.529 1.00 3.51 H new ATOM 0 HA SER A 4 3.314 -39.212 -8.651 1.00 3.65 H new ATOM 0 HB2 SER A 4 5.236 -40.108 -7.296 1.00 4.08 H new ATOM 0 HB3 SER A 4 5.824 -39.038 -8.553 1.00 4.08 H new ATOM 0 HG SER A 4 5.968 -37.333 -7.005 1.00 4.01 H new ATOM 49 N ILE A 5 3.535 -38.395 -5.511 1.00 3.31 N ATOM 50 CA ILE A 5 2.774 -38.402 -4.238 1.00 3.09 C ATOM 51 C ILE A 5 2.314 -36.962 -3.947 1.00 2.76 C ATOM 52 O ILE A 5 1.692 -36.334 -4.782 1.00 2.54 O ATOM 53 CB ILE A 5 3.767 -38.931 -3.184 1.00 3.49 C ATOM 54 CG1 ILE A 5 5.029 -38.029 -3.125 1.00 3.72 C ATOM 55 CG2 ILE A 5 4.151 -40.374 -3.530 1.00 3.85 C ATOM 56 CD1 ILE A 5 6.285 -38.804 -3.547 1.00 4.13 C ATOM 0 H ILE A 5 4.524 -38.163 -5.418 1.00 3.31 H new ATOM 0 HA ILE A 5 1.879 -39.024 -4.253 1.00 3.09 H new ATOM 0 HB ILE A 5 3.294 -38.912 -2.202 1.00 3.49 H new ATOM 0 HG12 ILE A 5 4.894 -37.167 -3.778 1.00 3.72 H new ATOM 0 HG13 ILE A 5 5.158 -37.645 -2.113 1.00 3.72 H new ATOM 0 HG21 ILE A 5 4.853 -40.752 -2.787 1.00 3.85 H new ATOM 0 HG22 ILE A 5 3.257 -40.997 -3.534 1.00 3.85 H new ATOM 0 HG23 ILE A 5 4.616 -40.400 -4.515 1.00 3.85 H new ATOM 0 HD11 ILE A 5 7.153 -38.146 -3.496 1.00 4.13 H new ATOM 0 HD12 ILE A 5 6.432 -39.651 -2.877 1.00 4.13 H new ATOM 0 HD13 ILE A 5 6.164 -39.165 -4.568 1.00 4.13 H new ATOM 68 N MET A 6 2.625 -36.423 -2.795 1.00 2.81 N ATOM 69 CA MET A 6 2.218 -35.017 -2.487 1.00 2.58 C ATOM 70 C MET A 6 2.655 -34.067 -3.593 1.00 2.46 C ATOM 71 O MET A 6 1.846 -33.312 -4.097 1.00 2.15 O ATOM 72 CB MET A 6 2.926 -34.672 -1.174 1.00 2.90 C ATOM 73 CG MET A 6 1.893 -34.583 -0.051 1.00 2.97 C ATOM 74 SD MET A 6 1.974 -32.950 0.716 1.00 3.23 S ATOM 75 CE MET A 6 0.696 -33.232 1.968 1.00 3.70 C ATOM 0 H MET A 6 3.143 -36.895 -2.054 1.00 2.81 H new ATOM 0 HA MET A 6 1.135 -34.921 -2.408 1.00 2.58 H new ATOM 0 HB2 MET A 6 3.671 -35.432 -0.939 1.00 2.90 H new ATOM 0 HB3 MET A 6 3.456 -33.725 -1.272 1.00 2.90 H new ATOM 0 HG2 MET A 6 0.893 -34.761 -0.447 1.00 2.97 H new ATOM 0 HG3 MET A 6 2.083 -35.356 0.694 1.00 2.97 H new ATOM 0 HE1 MET A 6 0.574 -32.333 2.572 1.00 3.70 H new ATOM 0 HE2 MET A 6 -0.248 -33.470 1.477 1.00 3.70 H new ATOM 0 HE3 MET A 6 0.991 -34.063 2.609 1.00 3.70 H new ATOM 85 N ASP A 7 3.919 -34.081 -3.958 1.00 2.75 N ATOM 86 CA ASP A 7 4.431 -33.157 -5.025 1.00 2.73 C ATOM 87 C ASP A 7 4.288 -31.689 -4.572 1.00 2.53 C ATOM 88 O ASP A 7 5.245 -30.934 -4.588 1.00 2.70 O ATOM 89 CB ASP A 7 3.585 -33.445 -6.279 1.00 2.57 C ATOM 90 CG ASP A 7 3.660 -32.256 -7.235 1.00 2.50 C ATOM 91 OD1 ASP A 7 4.706 -32.069 -7.838 1.00 2.80 O ATOM 92 OD2 ASP A 7 2.682 -31.535 -7.329 1.00 2.21 O ATOM 0 H ASP A 7 4.624 -34.700 -3.558 1.00 2.75 H new ATOM 0 HA ASP A 7 5.490 -33.317 -5.229 1.00 2.73 H new ATOM 0 HB2 ASP A 7 3.947 -34.346 -6.775 1.00 2.57 H new ATOM 0 HB3 ASP A 7 2.549 -33.631 -5.996 1.00 2.57 H new ATOM 97 N HIS A 8 3.107 -31.290 -4.157 1.00 2.23 N ATOM 98 CA HIS A 8 2.882 -29.887 -3.683 1.00 2.10 C ATOM 99 C HIS A 8 3.442 -28.838 -4.666 1.00 2.02 C ATOM 100 O HIS A 8 3.870 -27.774 -4.259 1.00 2.07 O ATOM 101 CB HIS A 8 3.611 -29.823 -2.338 1.00 2.41 C ATOM 102 CG HIS A 8 2.698 -29.224 -1.305 1.00 2.41 C ATOM 103 ND1 HIS A 8 1.594 -29.903 -0.815 1.00 2.39 N ATOM 104 CD2 HIS A 8 2.703 -28.008 -0.670 1.00 2.62 C ATOM 105 CE1 HIS A 8 0.985 -29.099 0.075 1.00 2.57 C ATOM 106 NE2 HIS A 8 1.619 -27.931 0.202 1.00 2.73 N ATOM 0 H HIS A 8 2.280 -31.886 -4.127 1.00 2.23 H new ATOM 0 HA HIS A 8 1.820 -29.656 -3.602 1.00 2.10 H new ATOM 0 HB2 HIS A 8 3.920 -30.822 -2.031 1.00 2.41 H new ATOM 0 HB3 HIS A 8 4.517 -29.224 -2.431 1.00 2.41 H new ATOM 0 HD2 HIS A 8 3.435 -27.229 -0.823 1.00 2.62 H new ATOM 0 HE1 HIS A 8 0.092 -29.366 0.620 1.00 2.57 H new ATOM 0 HE2 HIS A 8 1.365 -27.150 0.807 1.00 2.73 H new ATOM 114 N SER A 9 3.440 -29.111 -5.949 1.00 1.98 N ATOM 115 CA SER A 9 3.974 -28.107 -6.927 1.00 1.98 C ATOM 116 C SER A 9 2.989 -26.934 -7.119 1.00 1.76 C ATOM 117 O SER A 9 3.365 -25.790 -6.944 1.00 1.74 O ATOM 118 CB SER A 9 4.172 -28.860 -8.246 1.00 2.12 C ATOM 119 OG SER A 9 5.551 -29.167 -8.415 1.00 2.51 O ATOM 0 H SER A 9 3.095 -29.978 -6.360 1.00 1.98 H new ATOM 0 HA SER A 9 4.907 -27.674 -6.567 1.00 1.98 H new ATOM 0 HB2 SER A 9 3.582 -29.776 -8.246 1.00 2.12 H new ATOM 0 HB3 SER A 9 3.819 -28.253 -9.080 1.00 2.12 H new ATOM 0 HG SER A 9 5.647 -29.900 -9.059 1.00 2.51 H new ATOM 125 N PRO A 10 1.759 -27.248 -7.482 1.00 1.64 N ATOM 126 CA PRO A 10 0.738 -26.183 -7.706 1.00 1.51 C ATOM 127 C PRO A 10 0.395 -25.456 -6.401 1.00 1.42 C ATOM 128 O PRO A 10 0.216 -24.252 -6.384 1.00 1.41 O ATOM 129 CB PRO A 10 -0.465 -26.949 -8.261 1.00 1.52 C ATOM 130 CG PRO A 10 -0.288 -28.347 -7.767 1.00 1.57 C ATOM 131 CD PRO A 10 1.197 -28.591 -7.706 1.00 1.69 C ATOM 0 HA PRO A 10 1.083 -25.400 -8.382 1.00 1.51 H new ATOM 0 HB2 PRO A 10 -1.403 -26.521 -7.909 1.00 1.52 H new ATOM 0 HB3 PRO A 10 -0.488 -26.914 -9.350 1.00 1.52 H new ATOM 0 HG2 PRO A 10 -0.743 -28.472 -6.784 1.00 1.57 H new ATOM 0 HG3 PRO A 10 -0.772 -29.059 -8.435 1.00 1.57 H new ATOM 0 HD2 PRO A 10 1.458 -29.275 -6.898 1.00 1.69 H new ATOM 0 HD3 PRO A 10 1.569 -29.032 -8.630 1.00 1.69 H new ATOM 139 N THR A 11 0.324 -26.172 -5.312 1.00 1.46 N ATOM 140 CA THR A 11 0.012 -25.526 -3.997 1.00 1.51 C ATOM 141 C THR A 11 1.155 -24.586 -3.598 1.00 1.56 C ATOM 142 O THR A 11 0.936 -23.433 -3.286 1.00 1.55 O ATOM 143 CB THR A 11 -0.126 -26.674 -2.990 1.00 1.66 C ATOM 144 OG1 THR A 11 0.727 -27.747 -3.358 1.00 1.74 O ATOM 145 CG2 THR A 11 -1.574 -27.167 -2.966 1.00 1.84 C ATOM 0 H THR A 11 0.469 -27.181 -5.273 1.00 1.46 H new ATOM 0 HA THR A 11 -0.899 -24.929 -4.038 1.00 1.51 H new ATOM 0 HB THR A 11 0.155 -26.312 -2.001 1.00 1.66 H new ATOM 0 HG1 THR A 11 1.651 -27.529 -3.113 1.00 1.74 H new ATOM 0 HG21 THR A 11 -1.669 -27.983 -2.249 1.00 1.84 H new ATOM 0 HG22 THR A 11 -2.232 -26.349 -2.673 1.00 1.84 H new ATOM 0 HG23 THR A 11 -1.854 -27.521 -3.958 1.00 1.84 H new ATOM 153 N THR A 12 2.378 -25.060 -3.626 1.00 1.66 N ATOM 154 CA THR A 12 3.530 -24.182 -3.269 1.00 1.76 C ATOM 155 C THR A 12 3.578 -22.974 -4.209 1.00 1.61 C ATOM 156 O THR A 12 3.946 -21.883 -3.814 1.00 1.63 O ATOM 157 CB THR A 12 4.769 -25.060 -3.452 1.00 1.94 C ATOM 158 OG1 THR A 12 4.642 -26.228 -2.656 1.00 2.09 O ATOM 159 CG2 THR A 12 6.010 -24.290 -3.021 1.00 2.14 C ATOM 0 H THR A 12 2.625 -26.016 -3.881 1.00 1.66 H new ATOM 0 HA THR A 12 3.458 -23.792 -2.254 1.00 1.76 H new ATOM 0 HB THR A 12 4.861 -25.340 -4.502 1.00 1.94 H new ATOM 0 HG1 THR A 12 4.683 -27.021 -3.230 1.00 2.09 H new ATOM 0 HG21 THR A 12 6.891 -24.918 -3.152 1.00 2.14 H new ATOM 0 HG22 THR A 12 6.110 -23.391 -3.630 1.00 2.14 H new ATOM 0 HG23 THR A 12 5.918 -24.009 -1.972 1.00 2.14 H new ATOM 167 N GLY A 13 3.198 -23.165 -5.446 1.00 1.51 N ATOM 168 CA GLY A 13 3.202 -22.040 -6.431 1.00 1.42 C ATOM 169 C GLY A 13 2.140 -21.011 -6.042 1.00 1.30 C ATOM 170 O GLY A 13 2.453 -19.867 -5.767 1.00 1.29 O ATOM 0 H GLY A 13 2.882 -24.060 -5.820 1.00 1.51 H new ATOM 0 HA2 GLY A 13 4.185 -21.570 -6.457 1.00 1.42 H new ATOM 0 HA3 GLY A 13 3.004 -22.420 -7.433 1.00 1.42 H new ATOM 174 N VAL A 14 0.888 -21.407 -6.006 1.00 1.25 N ATOM 175 CA VAL A 14 -0.194 -20.447 -5.623 1.00 1.24 C ATOM 176 C VAL A 14 0.090 -19.862 -4.229 1.00 1.31 C ATOM 177 O VAL A 14 -0.171 -18.703 -3.975 1.00 1.33 O ATOM 178 CB VAL A 14 -1.503 -21.253 -5.637 1.00 1.29 C ATOM 179 CG1 VAL A 14 -1.740 -21.842 -7.031 1.00 1.30 C ATOM 180 CG2 VAL A 14 -1.443 -22.391 -4.614 1.00 1.37 C ATOM 0 H VAL A 14 0.571 -22.351 -6.225 1.00 1.25 H new ATOM 0 HA VAL A 14 -0.254 -19.604 -6.311 1.00 1.24 H new ATOM 0 HB VAL A 14 -2.322 -20.582 -5.378 1.00 1.29 H new ATOM 0 HG11 VAL A 14 -2.669 -22.411 -7.032 1.00 1.30 H new ATOM 0 HG12 VAL A 14 -1.808 -21.035 -7.760 1.00 1.30 H new ATOM 0 HG13 VAL A 14 -0.911 -22.499 -7.294 1.00 1.30 H new ATOM 0 HG21 VAL A 14 -2.378 -22.951 -4.638 1.00 1.37 H new ATOM 0 HG22 VAL A 14 -0.615 -23.057 -4.858 1.00 1.37 H new ATOM 0 HG23 VAL A 14 -1.293 -21.977 -3.617 1.00 1.37 H new ATOM 190 N VAL A 15 0.647 -20.643 -3.335 1.00 1.41 N ATOM 191 CA VAL A 15 0.969 -20.105 -1.976 1.00 1.56 C ATOM 192 C VAL A 15 2.102 -19.081 -2.092 1.00 1.54 C ATOM 193 O VAL A 15 2.039 -17.998 -1.537 1.00 1.59 O ATOM 194 CB VAL A 15 1.399 -21.323 -1.144 1.00 1.73 C ATOM 195 CG1 VAL A 15 2.165 -20.867 0.100 1.00 1.94 C ATOM 196 CG2 VAL A 15 0.158 -22.108 -0.707 1.00 1.82 C ATOM 0 H VAL A 15 0.891 -21.622 -3.486 1.00 1.41 H new ATOM 0 HA VAL A 15 0.124 -19.597 -1.511 1.00 1.56 H new ATOM 0 HB VAL A 15 2.044 -21.956 -1.753 1.00 1.73 H new ATOM 0 HG11 VAL A 15 2.465 -21.738 0.682 1.00 1.94 H new ATOM 0 HG12 VAL A 15 3.052 -20.310 -0.203 1.00 1.94 H new ATOM 0 HG13 VAL A 15 1.525 -20.228 0.708 1.00 1.94 H new ATOM 0 HG21 VAL A 15 0.463 -22.972 -0.117 1.00 1.82 H new ATOM 0 HG22 VAL A 15 -0.485 -21.466 -0.105 1.00 1.82 H new ATOM 0 HG23 VAL A 15 -0.388 -22.445 -1.588 1.00 1.82 H new ATOM 206 N THR A 16 3.125 -19.415 -2.831 1.00 1.51 N ATOM 207 CA THR A 16 4.272 -18.470 -3.017 1.00 1.53 C ATOM 208 C THR A 16 3.772 -17.154 -3.613 1.00 1.39 C ATOM 209 O THR A 16 4.043 -16.084 -3.098 1.00 1.43 O ATOM 210 CB THR A 16 5.234 -19.174 -3.982 1.00 1.58 C ATOM 211 OG1 THR A 16 5.743 -20.348 -3.368 1.00 1.75 O ATOM 212 CG2 THR A 16 6.402 -18.246 -4.328 1.00 1.67 C ATOM 0 H THR A 16 3.219 -20.306 -3.318 1.00 1.51 H new ATOM 0 HA THR A 16 4.763 -18.229 -2.074 1.00 1.53 H new ATOM 0 HB THR A 16 4.695 -19.433 -4.893 1.00 1.58 H new ATOM 0 HG1 THR A 16 5.281 -21.133 -3.730 1.00 1.75 H new ATOM 0 HG21 THR A 16 7.080 -18.754 -5.014 1.00 1.67 H new ATOM 0 HG22 THR A 16 6.020 -17.341 -4.800 1.00 1.67 H new ATOM 0 HG23 THR A 16 6.939 -17.981 -3.417 1.00 1.67 H new ATOM 220 N VAL A 17 3.034 -17.225 -4.688 1.00 1.27 N ATOM 221 CA VAL A 17 2.506 -15.977 -5.312 1.00 1.19 C ATOM 222 C VAL A 17 1.524 -15.283 -4.357 1.00 1.23 C ATOM 223 O VAL A 17 1.489 -14.074 -4.284 1.00 1.24 O ATOM 224 CB VAL A 17 1.823 -16.403 -6.621 1.00 1.16 C ATOM 225 CG1 VAL A 17 2.830 -17.129 -7.520 1.00 1.25 C ATOM 226 CG2 VAL A 17 0.641 -17.334 -6.337 1.00 1.17 C ATOM 0 H VAL A 17 2.774 -18.091 -5.160 1.00 1.27 H new ATOM 0 HA VAL A 17 3.299 -15.258 -5.517 1.00 1.19 H new ATOM 0 HB VAL A 17 1.456 -15.508 -7.123 1.00 1.16 H new ATOM 0 HG11 VAL A 17 2.340 -17.429 -8.447 1.00 1.25 H new ATOM 0 HG12 VAL A 17 3.661 -16.462 -7.748 1.00 1.25 H new ATOM 0 HG13 VAL A 17 3.206 -18.013 -7.005 1.00 1.25 H new ATOM 0 HG21 VAL A 17 0.172 -17.624 -7.277 1.00 1.17 H new ATOM 0 HG22 VAL A 17 0.996 -18.225 -5.819 1.00 1.17 H new ATOM 0 HG23 VAL A 17 -0.087 -16.817 -5.712 1.00 1.17 H new ATOM 236 N ILE A 18 0.748 -16.031 -3.602 1.00 1.32 N ATOM 237 CA ILE A 18 -0.197 -15.380 -2.635 1.00 1.45 C ATOM 238 C ILE A 18 0.605 -14.705 -1.528 1.00 1.54 C ATOM 239 O ILE A 18 0.308 -13.599 -1.133 1.00 1.62 O ATOM 240 CB ILE A 18 -1.082 -16.509 -2.084 1.00 1.57 C ATOM 241 CG1 ILE A 18 -2.209 -16.810 -3.083 1.00 1.53 C ATOM 242 CG2 ILE A 18 -1.694 -16.093 -0.742 1.00 1.82 C ATOM 243 CD1 ILE A 18 -3.110 -15.582 -3.244 1.00 1.70 C ATOM 0 H ILE A 18 0.728 -17.051 -3.613 1.00 1.32 H new ATOM 0 HA ILE A 18 -0.812 -14.610 -3.102 1.00 1.45 H new ATOM 0 HB ILE A 18 -0.470 -17.399 -1.938 1.00 1.57 H new ATOM 0 HG12 ILE A 18 -1.786 -17.089 -4.048 1.00 1.53 H new ATOM 0 HG13 ILE A 18 -2.797 -17.659 -2.735 1.00 1.53 H new ATOM 0 HG21 ILE A 18 -2.319 -16.901 -0.361 1.00 1.82 H new ATOM 0 HG22 ILE A 18 -0.897 -15.883 -0.028 1.00 1.82 H new ATOM 0 HG23 ILE A 18 -2.302 -15.199 -0.881 1.00 1.82 H new ATOM 0 HD11 ILE A 18 -3.906 -15.805 -3.954 1.00 1.70 H new ATOM 0 HD12 ILE A 18 -3.547 -15.322 -2.280 1.00 1.70 H new ATOM 0 HD13 ILE A 18 -2.520 -14.743 -3.613 1.00 1.70 H new ATOM 255 N VAL A 19 1.636 -15.342 -1.054 1.00 1.58 N ATOM 256 CA VAL A 19 2.478 -14.703 0.000 1.00 1.71 C ATOM 257 C VAL A 19 3.151 -13.465 -0.601 1.00 1.60 C ATOM 258 O VAL A 19 3.162 -12.405 -0.005 1.00 1.66 O ATOM 259 CB VAL A 19 3.510 -15.765 0.406 1.00 1.83 C ATOM 260 CG1 VAL A 19 4.639 -15.117 1.215 1.00 1.98 C ATOM 261 CG2 VAL A 19 2.830 -16.836 1.265 1.00 2.00 C ATOM 0 H VAL A 19 1.934 -16.273 -1.347 1.00 1.58 H new ATOM 0 HA VAL A 19 1.907 -14.378 0.870 1.00 1.71 H new ATOM 0 HB VAL A 19 3.924 -16.219 -0.494 1.00 1.83 H new ATOM 0 HG11 VAL A 19 5.366 -15.878 1.499 1.00 1.98 H new ATOM 0 HG12 VAL A 19 5.129 -14.354 0.610 1.00 1.98 H new ATOM 0 HG13 VAL A 19 4.226 -14.657 2.113 1.00 1.98 H new ATOM 0 HG21 VAL A 19 3.562 -17.590 1.553 1.00 2.00 H new ATOM 0 HG22 VAL A 19 2.413 -16.374 2.160 1.00 2.00 H new ATOM 0 HG23 VAL A 19 2.030 -17.307 0.694 1.00 2.00 H new ATOM 271 N ILE A 20 3.681 -13.586 -1.795 1.00 1.46 N ATOM 272 CA ILE A 20 4.319 -12.405 -2.455 1.00 1.37 C ATOM 273 C ILE A 20 3.259 -11.323 -2.672 1.00 1.32 C ATOM 274 O ILE A 20 3.462 -10.169 -2.348 1.00 1.36 O ATOM 275 CB ILE A 20 4.868 -12.931 -3.790 1.00 1.29 C ATOM 276 CG1 ILE A 20 6.087 -13.825 -3.526 1.00 1.42 C ATOM 277 CG2 ILE A 20 5.284 -11.764 -4.692 1.00 1.25 C ATOM 278 CD1 ILE A 20 7.189 -13.017 -2.833 1.00 1.55 C ATOM 0 H ILE A 20 3.699 -14.449 -2.339 1.00 1.46 H new ATOM 0 HA ILE A 20 5.116 -11.961 -1.859 1.00 1.37 H new ATOM 0 HB ILE A 20 4.087 -13.505 -4.289 1.00 1.29 H new ATOM 0 HG12 ILE A 20 5.799 -14.672 -2.903 1.00 1.42 H new ATOM 0 HG13 ILE A 20 6.460 -14.233 -4.466 1.00 1.42 H new ATOM 0 HG21 ILE A 20 5.671 -12.152 -5.634 1.00 1.25 H new ATOM 0 HG22 ILE A 20 4.419 -11.130 -4.889 1.00 1.25 H new ATOM 0 HG23 ILE A 20 6.058 -11.178 -4.196 1.00 1.25 H new ATOM 0 HD11 ILE A 20 8.050 -13.659 -2.649 1.00 1.55 H new ATOM 0 HD12 ILE A 20 7.486 -12.185 -3.471 1.00 1.55 H new ATOM 0 HD13 ILE A 20 6.815 -12.631 -1.884 1.00 1.55 H new ATOM 290 N LEU A 21 2.120 -11.702 -3.188 1.00 1.29 N ATOM 291 CA LEU A 21 1.020 -10.712 -3.397 1.00 1.34 C ATOM 292 C LEU A 21 0.639 -10.104 -2.045 1.00 1.50 C ATOM 293 O LEU A 21 0.576 -8.896 -1.894 1.00 1.55 O ATOM 294 CB LEU A 21 -0.147 -11.516 -3.986 1.00 1.38 C ATOM 295 CG LEU A 21 -0.015 -11.574 -5.510 1.00 1.35 C ATOM 296 CD1 LEU A 21 -0.873 -12.717 -6.052 1.00 1.42 C ATOM 297 CD2 LEU A 21 -0.495 -10.254 -6.112 1.00 1.52 C ATOM 0 H LEU A 21 1.902 -12.656 -3.475 1.00 1.29 H new ATOM 0 HA LEU A 21 1.303 -9.894 -4.060 1.00 1.34 H new ATOM 0 HB2 LEU A 21 -0.152 -12.525 -3.573 1.00 1.38 H new ATOM 0 HB3 LEU A 21 -1.095 -11.054 -3.711 1.00 1.38 H new ATOM 0 HG LEU A 21 1.028 -11.741 -5.778 1.00 1.35 H new ATOM 0 HD11 LEU A 21 -0.780 -12.759 -7.137 1.00 1.42 H new ATOM 0 HD12 LEU A 21 -0.536 -13.660 -5.622 1.00 1.42 H new ATOM 0 HD13 LEU A 21 -1.916 -12.548 -5.784 1.00 1.42 H new ATOM 0 HD21 LEU A 21 -0.402 -10.294 -7.197 1.00 1.52 H new ATOM 0 HD22 LEU A 21 -1.539 -10.090 -5.843 1.00 1.52 H new ATOM 0 HD23 LEU A 21 0.112 -9.436 -5.725 1.00 1.52 H new ATOM 309 N ILE A 22 0.415 -10.935 -1.051 1.00 1.62 N ATOM 310 CA ILE A 22 0.073 -10.404 0.306 1.00 1.82 C ATOM 311 C ILE A 22 1.187 -9.465 0.778 1.00 1.81 C ATOM 312 O ILE A 22 0.933 -8.391 1.291 1.00 1.90 O ATOM 313 CB ILE A 22 -0.037 -11.637 1.218 1.00 1.95 C ATOM 314 CG1 ILE A 22 -1.377 -12.345 0.971 1.00 2.05 C ATOM 315 CG2 ILE A 22 0.049 -11.217 2.691 1.00 2.17 C ATOM 316 CD1 ILE A 22 -2.539 -11.449 1.413 1.00 2.25 C ATOM 0 H ILE A 22 0.454 -11.952 -1.122 1.00 1.62 H new ATOM 0 HA ILE A 22 -0.856 -9.833 0.312 1.00 1.82 H new ATOM 0 HB ILE A 22 0.785 -12.315 0.990 1.00 1.95 H new ATOM 0 HG12 ILE A 22 -1.478 -12.589 -0.087 1.00 2.05 H new ATOM 0 HG13 ILE A 22 -1.405 -13.287 1.519 1.00 2.05 H new ATOM 0 HG21 ILE A 22 -0.030 -12.099 3.326 1.00 2.17 H new ATOM 0 HG22 ILE A 22 1.003 -10.723 2.873 1.00 2.17 H new ATOM 0 HG23 ILE A 22 -0.765 -10.530 2.922 1.00 2.17 H new ATOM 0 HD11 ILE A 22 -3.483 -11.962 1.233 1.00 2.25 H new ATOM 0 HD12 ILE A 22 -2.444 -11.227 2.476 1.00 2.25 H new ATOM 0 HD13 ILE A 22 -2.518 -10.519 0.845 1.00 2.25 H new ATOM 328 N ALA A 23 2.419 -9.856 0.583 1.00 1.72 N ATOM 329 CA ALA A 23 3.562 -8.984 0.993 1.00 1.74 C ATOM 330 C ALA A 23 3.520 -7.674 0.199 1.00 1.61 C ATOM 331 O ALA A 23 3.649 -6.602 0.759 1.00 1.66 O ATOM 332 CB ALA A 23 4.826 -9.786 0.667 1.00 1.70 C ATOM 0 H ALA A 23 2.685 -10.744 0.157 1.00 1.72 H new ATOM 0 HA ALA A 23 3.527 -8.719 2.050 1.00 1.74 H new ATOM 0 HB1 ALA A 23 5.706 -9.205 0.943 1.00 1.70 H new ATOM 0 HB2 ALA A 23 4.818 -10.721 1.227 1.00 1.70 H new ATOM 0 HB3 ALA A 23 4.854 -10.003 -0.401 1.00 1.70 H new ATOM 338 N ILE A 24 3.313 -7.749 -1.095 1.00 1.46 N ATOM 339 CA ILE A 24 3.233 -6.500 -1.915 1.00 1.37 C ATOM 340 C ILE A 24 2.086 -5.631 -1.384 1.00 1.50 C ATOM 341 O ILE A 24 2.255 -4.453 -1.128 1.00 1.53 O ATOM 342 CB ILE A 24 2.945 -6.969 -3.350 1.00 1.28 C ATOM 343 CG1 ILE A 24 4.210 -7.590 -3.949 1.00 1.23 C ATOM 344 CG2 ILE A 24 2.515 -5.778 -4.214 1.00 1.32 C ATOM 345 CD1 ILE A 24 3.846 -8.374 -5.212 1.00 1.19 C ATOM 0 H ILE A 24 3.197 -8.618 -1.616 1.00 1.46 H new ATOM 0 HA ILE A 24 4.146 -5.906 -1.874 1.00 1.37 H new ATOM 0 HB ILE A 24 2.144 -7.708 -3.327 1.00 1.28 H new ATOM 0 HG12 ILE A 24 4.933 -6.810 -4.188 1.00 1.23 H new ATOM 0 HG13 ILE A 24 4.683 -8.250 -3.222 1.00 1.23 H new ATOM 0 HG21 ILE A 24 2.313 -6.119 -5.229 1.00 1.32 H new ATOM 0 HG22 ILE A 24 1.613 -5.331 -3.795 1.00 1.32 H new ATOM 0 HG23 ILE A 24 3.313 -5.035 -4.233 1.00 1.32 H new ATOM 0 HD11 ILE A 24 4.747 -8.816 -5.638 1.00 1.19 H new ATOM 0 HD12 ILE A 24 3.139 -9.164 -4.959 1.00 1.19 H new ATOM 0 HD13 ILE A 24 3.393 -7.701 -5.940 1.00 1.19 H new ATOM 357 N ALA A 25 0.926 -6.216 -1.200 1.00 1.62 N ATOM 358 CA ALA A 25 -0.236 -5.439 -0.667 1.00 1.79 C ATOM 359 C ALA A 25 0.094 -4.890 0.723 1.00 1.91 C ATOM 360 O ALA A 25 -0.166 -3.739 1.026 1.00 1.98 O ATOM 361 CB ALA A 25 -1.390 -6.443 -0.603 1.00 1.94 C ATOM 0 H ALA A 25 0.735 -7.198 -1.396 1.00 1.62 H new ATOM 0 HA ALA A 25 -0.487 -4.581 -1.291 1.00 1.79 H new ATOM 0 HB1 ALA A 25 -2.282 -5.948 -0.220 1.00 1.94 H new ATOM 0 HB2 ALA A 25 -1.590 -6.831 -1.602 1.00 1.94 H new ATOM 0 HB3 ALA A 25 -1.120 -7.266 0.059 1.00 1.94 H new ATOM 367 N ALA A 26 0.690 -5.696 1.561 1.00 1.96 N ATOM 368 CA ALA A 26 1.065 -5.216 2.926 1.00 2.10 C ATOM 369 C ALA A 26 2.073 -4.071 2.794 1.00 2.00 C ATOM 370 O ALA A 26 1.956 -3.051 3.449 1.00 2.11 O ATOM 371 CB ALA A 26 1.689 -6.428 3.624 1.00 2.19 C ATOM 0 H ALA A 26 0.934 -6.666 1.361 1.00 1.96 H new ATOM 0 HA ALA A 26 0.215 -4.836 3.493 1.00 2.10 H new ATOM 0 HB1 ALA A 26 1.990 -6.151 4.634 1.00 2.19 H new ATOM 0 HB2 ALA A 26 0.959 -7.236 3.671 1.00 2.19 H new ATOM 0 HB3 ALA A 26 2.563 -6.761 3.064 1.00 2.19 H new ATOM 377 N LEU A 27 3.040 -4.220 1.921 1.00 1.81 N ATOM 378 CA LEU A 27 4.034 -3.132 1.707 1.00 1.71 C ATOM 379 C LEU A 27 3.297 -1.891 1.182 1.00 1.67 C ATOM 380 O LEU A 27 3.486 -0.794 1.676 1.00 1.73 O ATOM 381 CB LEU A 27 5.008 -3.685 0.658 1.00 1.55 C ATOM 382 CG LEU A 27 5.893 -2.556 0.127 1.00 1.47 C ATOM 383 CD1 LEU A 27 7.358 -2.992 0.159 1.00 1.52 C ATOM 384 CD2 LEU A 27 5.490 -2.227 -1.311 1.00 1.43 C ATOM 0 H LEU A 27 3.181 -5.052 1.348 1.00 1.81 H new ATOM 0 HA LEU A 27 4.562 -2.841 2.615 1.00 1.71 H new ATOM 0 HB2 LEU A 27 5.626 -4.467 1.099 1.00 1.55 H new ATOM 0 HB3 LEU A 27 4.453 -4.141 -0.162 1.00 1.55 H new ATOM 0 HG LEU A 27 5.766 -1.673 0.753 1.00 1.47 H new ATOM 0 HD11 LEU A 27 7.986 -2.186 -0.220 1.00 1.52 H new ATOM 0 HD12 LEU A 27 7.646 -3.225 1.184 1.00 1.52 H new ATOM 0 HD13 LEU A 27 7.488 -3.877 -0.464 1.00 1.52 H new ATOM 0 HD21 LEU A 27 6.120 -1.423 -1.690 1.00 1.43 H new ATOM 0 HD22 LEU A 27 5.616 -3.112 -1.935 1.00 1.43 H new ATOM 0 HD23 LEU A 27 4.447 -1.912 -1.333 1.00 1.43 H new ATOM 396 N GLY A 28 2.435 -2.071 0.204 1.00 1.62 N ATOM 397 CA GLY A 28 1.654 -0.917 -0.339 1.00 1.65 C ATOM 398 C GLY A 28 0.881 -0.266 0.809 1.00 1.85 C ATOM 399 O GLY A 28 0.923 0.936 0.991 1.00 1.90 O ATOM 0 H GLY A 28 2.241 -2.969 -0.239 1.00 1.62 H new ATOM 0 HA2 GLY A 28 2.323 -0.192 -0.803 1.00 1.65 H new ATOM 0 HA3 GLY A 28 0.966 -1.257 -1.113 1.00 1.65 H new ATOM 403 N ALA A 29 0.198 -1.056 1.606 1.00 2.01 N ATOM 404 CA ALA A 29 -0.557 -0.483 2.764 1.00 2.24 C ATOM 405 C ALA A 29 0.411 0.213 3.727 1.00 2.26 C ATOM 406 O ALA A 29 0.162 1.310 4.194 1.00 2.36 O ATOM 407 CB ALA A 29 -1.239 -1.680 3.435 1.00 2.42 C ATOM 0 H ALA A 29 0.132 -2.069 1.504 1.00 2.01 H new ATOM 0 HA ALA A 29 -1.286 0.266 2.455 1.00 2.24 H new ATOM 0 HB1 ALA A 29 -1.813 -1.336 4.295 1.00 2.42 H new ATOM 0 HB2 ALA A 29 -1.907 -2.164 2.723 1.00 2.42 H new ATOM 0 HB3 ALA A 29 -0.482 -2.392 3.765 1.00 2.42 H new ATOM 413 N LEU A 30 1.523 -0.415 4.007 1.00 2.20 N ATOM 414 CA LEU A 30 2.536 0.202 4.920 1.00 2.25 C ATOM 415 C LEU A 30 3.030 1.533 4.333 1.00 2.09 C ATOM 416 O LEU A 30 3.219 2.503 5.045 1.00 2.17 O ATOM 417 CB LEU A 30 3.679 -0.817 5.002 1.00 2.22 C ATOM 418 CG LEU A 30 3.430 -1.775 6.168 1.00 2.48 C ATOM 419 CD1 LEU A 30 4.237 -3.057 5.955 1.00 2.49 C ATOM 420 CD2 LEU A 30 3.867 -1.110 7.474 1.00 2.74 C ATOM 0 H LEU A 30 1.776 -1.333 3.642 1.00 2.20 H new ATOM 0 HA LEU A 30 2.126 0.423 5.906 1.00 2.25 H new ATOM 0 HB2 LEU A 30 3.750 -1.375 4.068 1.00 2.22 H new ATOM 0 HB3 LEU A 30 4.630 -0.302 5.138 1.00 2.22 H new ATOM 0 HG LEU A 30 2.369 -2.018 6.220 1.00 2.48 H new ATOM 0 HD11 LEU A 30 4.060 -3.740 6.786 1.00 2.49 H new ATOM 0 HD12 LEU A 30 3.928 -3.531 5.023 1.00 2.49 H new ATOM 0 HD13 LEU A 30 5.298 -2.815 5.904 1.00 2.49 H new ATOM 0 HD21 LEU A 30 3.690 -1.791 8.306 1.00 2.74 H new ATOM 0 HD22 LEU A 30 4.929 -0.869 7.422 1.00 2.74 H new ATOM 0 HD23 LEU A 30 3.294 -0.195 7.626 1.00 2.74 H new ATOM 432 N ILE A 31 3.219 1.593 3.036 1.00 1.89 N ATOM 433 CA ILE A 31 3.679 2.868 2.401 1.00 1.76 C ATOM 434 C ILE A 31 2.522 3.875 2.398 1.00 1.88 C ATOM 435 O ILE A 31 2.685 5.014 2.795 1.00 1.94 O ATOM 436 CB ILE A 31 4.112 2.473 0.978 1.00 1.55 C ATOM 437 CG1 ILE A 31 5.560 1.978 1.028 1.00 1.49 C ATOM 438 CG2 ILE A 31 4.025 3.671 0.022 1.00 1.61 C ATOM 439 CD1 ILE A 31 5.757 0.860 0.005 1.00 1.61 C ATOM 0 H ILE A 31 3.075 0.816 2.391 1.00 1.89 H new ATOM 0 HA ILE A 31 4.503 3.345 2.931 1.00 1.76 H new ATOM 0 HB ILE A 31 3.446 1.691 0.612 1.00 1.55 H new ATOM 0 HG12 ILE A 31 6.243 2.801 0.818 1.00 1.49 H new ATOM 0 HG13 ILE A 31 5.796 1.615 2.028 1.00 1.49 H new ATOM 0 HG21 ILE A 31 4.337 3.363 -0.976 1.00 1.61 H new ATOM 0 HG22 ILE A 31 2.998 4.034 -0.014 1.00 1.61 H new ATOM 0 HG23 ILE A 31 4.679 4.468 0.377 1.00 1.61 H new ATOM 0 HD11 ILE A 31 6.788 0.510 0.043 1.00 1.61 H new ATOM 0 HD12 ILE A 31 5.084 0.034 0.235 1.00 1.61 H new ATOM 0 HD13 ILE A 31 5.539 1.238 -0.994 1.00 1.61 H new ATOM 451 N LEU A 32 1.350 3.458 1.983 1.00 1.95 N ATOM 452 CA LEU A 32 0.177 4.388 1.983 1.00 2.14 C ATOM 453 C LEU A 32 -0.058 4.922 3.403 1.00 2.34 C ATOM 454 O LEU A 32 -0.234 6.110 3.608 1.00 2.44 O ATOM 455 CB LEU A 32 -1.013 3.541 1.519 1.00 2.23 C ATOM 456 CG LEU A 32 -2.164 4.460 1.098 1.00 2.42 C ATOM 457 CD1 LEU A 32 -2.252 4.504 -0.429 1.00 2.55 C ATOM 458 CD2 LEU A 32 -3.481 3.929 1.669 1.00 2.62 C ATOM 0 H LEU A 32 1.155 2.516 1.645 1.00 1.95 H new ATOM 0 HA LEU A 32 0.329 5.250 1.334 1.00 2.14 H new ATOM 0 HB2 LEU A 32 -0.717 2.906 0.684 1.00 2.23 H new ATOM 0 HB3 LEU A 32 -1.337 2.880 2.323 1.00 2.23 H new ATOM 0 HG LEU A 32 -1.982 5.464 1.481 1.00 2.42 H new ATOM 0 HD11 LEU A 32 -3.071 5.158 -0.728 1.00 2.55 H new ATOM 0 HD12 LEU A 32 -1.316 4.886 -0.837 1.00 2.55 H new ATOM 0 HD13 LEU A 32 -2.432 3.500 -0.812 1.00 2.55 H new ATOM 0 HD21 LEU A 32 -4.298 4.584 1.368 1.00 2.62 H new ATOM 0 HD22 LEU A 32 -3.663 2.924 1.289 1.00 2.62 H new ATOM 0 HD23 LEU A 32 -3.421 3.900 2.757 1.00 2.62 H new ATOM 470 N GLY A 33 -0.042 4.046 4.384 1.00 2.45 N ATOM 471 CA GLY A 33 -0.246 4.480 5.802 1.00 2.68 C ATOM 472 C GLY A 33 0.880 5.433 6.211 1.00 2.60 C ATOM 473 O GLY A 33 0.632 6.548 6.631 1.00 2.73 O ATOM 0 H GLY A 33 0.105 3.044 4.260 1.00 2.45 H new ATOM 0 HA2 GLY A 33 -1.212 4.975 5.907 1.00 2.68 H new ATOM 0 HA3 GLY A 33 -0.259 3.612 6.461 1.00 2.68 H new ATOM 477 N CYS A 34 2.117 5.012 6.074 1.00 2.42 N ATOM 478 CA CYS A 34 3.262 5.911 6.439 1.00 2.36 C ATOM 479 C CYS A 34 3.146 7.232 5.662 1.00 2.24 C ATOM 480 O CYS A 34 3.381 8.304 6.198 1.00 2.31 O ATOM 481 CB CYS A 34 4.525 5.143 6.035 1.00 2.20 C ATOM 482 SG CYS A 34 5.877 5.575 7.157 1.00 2.66 S ATOM 0 H CYS A 34 2.383 4.090 5.727 1.00 2.42 H new ATOM 0 HA CYS A 34 3.277 6.163 7.499 1.00 2.36 H new ATOM 0 HB2 CYS A 34 4.338 4.070 6.070 1.00 2.20 H new ATOM 0 HB3 CYS A 34 4.798 5.386 5.008 1.00 2.20 H new ATOM 0 HG CYS A 34 6.949 4.922 6.817 1.00 2.66 H new ATOM 488 N TRP A 35 2.759 7.157 4.412 1.00 2.10 N ATOM 489 CA TRP A 35 2.589 8.389 3.586 1.00 2.05 C ATOM 490 C TRP A 35 1.456 9.247 4.177 1.00 2.30 C ATOM 491 O TRP A 35 1.692 10.360 4.623 1.00 2.36 O ATOM 492 CB TRP A 35 2.238 7.864 2.185 1.00 1.92 C ATOM 493 CG TRP A 35 1.927 9.001 1.260 1.00 1.93 C ATOM 494 CD1 TRP A 35 2.832 9.883 0.772 1.00 1.89 C ATOM 495 CD2 TRP A 35 0.640 9.378 0.696 1.00 2.07 C ATOM 496 NE1 TRP A 35 2.177 10.785 -0.053 1.00 1.99 N ATOM 497 CE2 TRP A 35 0.823 10.513 -0.128 1.00 2.10 C ATOM 498 CE3 TRP A 35 -0.660 8.849 0.822 1.00 2.23 C ATOM 499 CZ2 TRP A 35 -0.246 11.104 -0.800 1.00 2.27 C ATOM 500 CZ3 TRP A 35 -1.737 9.441 0.144 1.00 2.40 C ATOM 501 CH2 TRP A 35 -1.530 10.567 -0.665 1.00 2.42 C ATOM 0 H TRP A 35 2.552 6.285 3.925 1.00 2.10 H new ATOM 0 HA TRP A 35 3.475 9.024 3.559 1.00 2.05 H new ATOM 0 HB2 TRP A 35 3.071 7.283 1.789 1.00 1.92 H new ATOM 0 HB3 TRP A 35 1.381 7.193 2.246 1.00 1.92 H new ATOM 0 HD1 TRP A 35 3.890 9.884 0.990 1.00 1.89 H new ATOM 0 HE1 TRP A 35 2.636 11.553 -0.543 1.00 1.99 H new ATOM 0 HE3 TRP A 35 -0.829 7.983 1.444 1.00 2.23 H new ATOM 0 HZ2 TRP A 35 -0.083 11.972 -1.422 1.00 2.27 H new ATOM 0 HZ3 TRP A 35 -2.729 9.027 0.246 1.00 2.40 H new ATOM 0 HH2 TRP A 35 -2.362 11.020 -1.184 1.00 2.42 H new ATOM 512 N CYS A 36 0.244 8.727 4.214 1.00 2.45 N ATOM 513 CA CYS A 36 -0.925 9.480 4.798 1.00 2.72 C ATOM 514 C CYS A 36 -1.192 10.796 4.041 1.00 2.76 C ATOM 515 O CYS A 36 -2.245 10.984 3.461 1.00 2.89 O ATOM 516 CB CYS A 36 -0.533 9.746 6.258 1.00 2.84 C ATOM 517 SG CYS A 36 -1.951 9.422 7.334 1.00 3.31 S ATOM 0 H CYS A 36 0.012 7.799 3.859 1.00 2.45 H new ATOM 0 HA CYS A 36 -1.851 8.910 4.719 1.00 2.72 H new ATOM 0 HB2 CYS A 36 0.305 9.110 6.542 1.00 2.84 H new ATOM 0 HB3 CYS A 36 -0.203 10.778 6.375 1.00 2.84 H new ATOM 0 HG CYS A 36 -1.617 9.645 8.570 1.00 3.31 H new ATOM 523 N TYR A 37 -0.247 11.697 4.041 1.00 2.68 N ATOM 524 CA TYR A 37 -0.423 12.994 3.322 1.00 2.75 C ATOM 525 C TYR A 37 0.581 13.075 2.166 1.00 2.51 C ATOM 526 O TYR A 37 1.489 12.275 2.076 1.00 2.29 O ATOM 527 CB TYR A 37 -0.121 14.064 4.376 1.00 2.88 C ATOM 528 CG TYR A 37 -1.363 14.875 4.653 1.00 3.27 C ATOM 529 CD1 TYR A 37 -2.421 14.310 5.368 1.00 4.15 C ATOM 530 CD2 TYR A 37 -1.454 16.192 4.202 1.00 3.17 C ATOM 531 CE1 TYR A 37 -3.570 15.064 5.633 1.00 4.60 C ATOM 532 CE2 TYR A 37 -2.606 16.945 4.468 1.00 3.73 C ATOM 533 CZ TYR A 37 -3.662 16.378 5.183 1.00 4.31 C ATOM 534 OH TYR A 37 -4.792 17.112 5.448 1.00 4.91 O ATOM 0 H TYR A 37 0.650 11.589 4.514 1.00 2.68 H new ATOM 0 HA TYR A 37 -1.419 13.114 2.895 1.00 2.75 H new ATOM 0 HB2 TYR A 37 0.229 13.594 5.295 1.00 2.88 H new ATOM 0 HB3 TYR A 37 0.679 14.716 4.026 1.00 2.88 H new ATOM 0 HD1 TYR A 37 -2.353 13.290 5.717 1.00 4.15 H new ATOM 0 HD2 TYR A 37 -0.637 16.631 3.648 1.00 3.17 H new ATOM 0 HE1 TYR A 37 -4.387 14.626 6.188 1.00 4.60 H new ATOM 0 HE2 TYR A 37 -2.676 17.965 4.119 1.00 3.73 H new ATOM 0 HH TYR A 37 -4.696 18.009 5.066 1.00 4.91 H new ATOM 544 N LEU A 38 0.445 14.041 1.291 1.00 2.59 N ATOM 545 CA LEU A 38 1.404 14.179 0.133 1.00 2.42 C ATOM 546 C LEU A 38 2.834 14.554 0.600 1.00 2.26 C ATOM 547 O LEU A 38 3.509 15.349 -0.023 1.00 2.28 O ATOM 548 CB LEU A 38 0.812 15.306 -0.721 1.00 2.64 C ATOM 549 CG LEU A 38 0.832 16.611 0.079 1.00 2.76 C ATOM 550 CD1 LEU A 38 1.653 17.658 -0.674 1.00 2.82 C ATOM 551 CD2 LEU A 38 -0.598 17.126 0.263 1.00 3.03 C ATOM 0 H LEU A 38 -0.291 14.747 1.323 1.00 2.59 H new ATOM 0 HA LEU A 38 1.509 13.239 -0.409 1.00 2.42 H new ATOM 0 HB2 LEU A 38 1.386 15.421 -1.641 1.00 2.64 H new ATOM 0 HB3 LEU A 38 -0.209 15.060 -1.011 1.00 2.64 H new ATOM 0 HG LEU A 38 1.280 16.427 1.056 1.00 2.76 H new ATOM 0 HD11 LEU A 38 1.667 18.587 -0.105 1.00 2.82 H new ATOM 0 HD12 LEU A 38 2.673 17.296 -0.804 1.00 2.82 H new ATOM 0 HD13 LEU A 38 1.205 17.838 -1.651 1.00 2.82 H new ATOM 0 HD21 LEU A 38 -0.580 18.055 0.833 1.00 3.03 H new ATOM 0 HD22 LEU A 38 -1.048 17.308 -0.713 1.00 3.03 H new ATOM 0 HD23 LEU A 38 -1.186 16.382 0.800 1.00 3.03 H new ATOM 563 N ARG A 39 3.300 13.989 1.680 1.00 2.17 N ATOM 564 CA ARG A 39 4.676 14.313 2.173 1.00 2.05 C ATOM 565 C ARG A 39 5.721 13.351 1.579 1.00 1.84 C ATOM 566 O ARG A 39 6.856 13.724 1.357 1.00 1.82 O ATOM 567 CB ARG A 39 4.607 14.157 3.698 1.00 2.12 C ATOM 568 CG ARG A 39 4.306 12.697 4.066 1.00 2.09 C ATOM 569 CD ARG A 39 4.474 12.502 5.574 1.00 2.24 C ATOM 570 NE ARG A 39 3.327 11.635 5.988 1.00 2.36 N ATOM 571 CZ ARG A 39 3.081 11.429 7.244 1.00 2.57 C ATOM 572 NH1 ARG A 39 2.838 12.431 8.031 1.00 2.84 N ATOM 573 NH2 ARG A 39 3.068 10.219 7.702 1.00 2.60 N ATOM 0 H ARG A 39 2.787 13.314 2.247 1.00 2.17 H new ATOM 0 HA ARG A 39 4.980 15.317 1.876 1.00 2.05 H new ATOM 0 HB2 ARG A 39 5.551 14.466 4.146 1.00 2.12 H new ATOM 0 HB3 ARG A 39 3.834 14.809 4.103 1.00 2.12 H new ATOM 0 HG2 ARG A 39 3.290 12.438 3.767 1.00 2.09 H new ATOM 0 HG3 ARG A 39 4.977 12.030 3.526 1.00 2.09 H new ATOM 0 HD2 ARG A 39 5.428 12.029 5.806 1.00 2.24 H new ATOM 0 HD3 ARG A 39 4.455 13.457 6.099 1.00 2.24 H new ATOM 0 HE ARG A 39 2.735 11.204 5.278 1.00 2.36 H new ATOM 0 HH11 ARG A 39 2.840 13.382 7.662 1.00 2.84 H new ATOM 0 HH12 ARG A 39 2.645 12.268 9.019 1.00 2.84 H new ATOM 0 HH21 ARG A 39 3.251 9.435 7.076 1.00 2.60 H new ATOM 0 HH22 ARG A 39 2.875 10.049 8.689 1.00 2.60 H new ATOM 587 N LEU A 40 5.345 12.123 1.328 1.00 1.76 N ATOM 588 CA LEU A 40 6.312 11.138 0.753 1.00 1.61 C ATOM 589 C LEU A 40 5.787 10.611 -0.587 1.00 1.48 C ATOM 590 O LEU A 40 5.572 9.426 -0.766 1.00 1.38 O ATOM 591 CB LEU A 40 6.398 10.015 1.789 1.00 1.63 C ATOM 592 CG LEU A 40 7.786 10.029 2.432 1.00 1.94 C ATOM 593 CD1 LEU A 40 7.669 9.666 3.913 1.00 2.23 C ATOM 594 CD2 LEU A 40 8.683 9.013 1.721 1.00 2.11 C ATOM 0 H LEU A 40 4.407 11.759 1.497 1.00 1.76 H new ATOM 0 HA LEU A 40 7.290 11.577 0.557 1.00 1.61 H new ATOM 0 HB2 LEU A 40 5.630 10.147 2.551 1.00 1.63 H new ATOM 0 HB3 LEU A 40 6.214 9.051 1.314 1.00 1.63 H new ATOM 0 HG LEU A 40 8.221 11.024 2.341 1.00 1.94 H new ATOM 0 HD11 LEU A 40 8.659 9.676 4.369 1.00 2.23 H new ATOM 0 HD12 LEU A 40 7.030 10.392 4.416 1.00 2.23 H new ATOM 0 HD13 LEU A 40 7.235 8.671 4.011 1.00 2.23 H new ATOM 0 HD21 LEU A 40 9.673 9.020 2.177 1.00 2.11 H new ATOM 0 HD22 LEU A 40 8.249 8.017 1.813 1.00 2.11 H new ATOM 0 HD23 LEU A 40 8.767 9.277 0.667 1.00 2.11 H new ATOM 606 N GLN A 41 5.574 11.496 -1.528 1.00 1.61 N ATOM 607 CA GLN A 41 5.052 11.078 -2.869 1.00 1.58 C ATOM 608 C GLN A 41 6.078 10.229 -3.641 1.00 1.45 C ATOM 609 O GLN A 41 5.770 9.712 -4.696 1.00 1.51 O ATOM 610 CB GLN A 41 4.772 12.392 -3.610 1.00 1.87 C ATOM 611 CG GLN A 41 3.474 12.260 -4.412 1.00 1.75 C ATOM 612 CD GLN A 41 2.286 12.114 -3.459 1.00 1.96 C ATOM 613 OE1 GLN A 41 2.328 12.565 -2.327 1.00 1.85 O ATOM 614 NE2 GLN A 41 1.227 11.491 -3.867 1.00 2.71 N ATOM 0 H GLN A 41 5.740 12.497 -1.426 1.00 1.61 H new ATOM 0 HA GLN A 41 4.163 10.455 -2.773 1.00 1.58 H new ATOM 0 HB2 GLN A 41 4.690 13.213 -2.898 1.00 1.87 H new ATOM 0 HB3 GLN A 41 5.601 12.630 -4.276 1.00 1.87 H new ATOM 0 HG2 GLN A 41 3.337 13.136 -5.046 1.00 1.75 H new ATOM 0 HG3 GLN A 41 3.530 11.394 -5.072 1.00 1.75 H new ATOM 0 HE21 GLN A 41 1.191 11.113 -4.814 1.00 2.71 H new ATOM 0 HE22 GLN A 41 0.429 11.378 -3.242 1.00 2.71 H new ATOM 623 N ARG A 42 7.283 10.076 -3.122 1.00 1.38 N ATOM 624 CA ARG A 42 8.338 9.263 -3.807 1.00 1.40 C ATOM 625 C ARG A 42 8.673 9.855 -5.181 1.00 1.61 C ATOM 626 O ARG A 42 9.775 10.301 -5.420 1.00 1.77 O ATOM 627 CB ARG A 42 7.739 7.867 -3.903 1.00 1.34 C ATOM 628 CG ARG A 42 8.504 7.039 -4.944 1.00 1.48 C ATOM 629 CD ARG A 42 9.194 5.855 -4.266 1.00 1.67 C ATOM 630 NE ARG A 42 8.707 4.664 -5.016 1.00 2.07 N ATOM 631 CZ ARG A 42 9.378 4.208 -6.024 1.00 2.62 C ATOM 632 NH1 ARG A 42 10.618 3.863 -5.871 1.00 2.82 N ATOM 633 NH2 ARG A 42 8.806 4.102 -7.176 1.00 3.19 N ATOM 0 H ARG A 42 7.578 10.490 -2.238 1.00 1.38 H new ATOM 0 HA ARG A 42 9.285 9.250 -3.267 1.00 1.40 H new ATOM 0 HB2 ARG A 42 7.783 7.376 -2.931 1.00 1.34 H new ATOM 0 HB3 ARG A 42 6.687 7.932 -4.180 1.00 1.34 H new ATOM 0 HG2 ARG A 42 7.818 6.680 -5.711 1.00 1.48 H new ATOM 0 HG3 ARG A 42 9.244 7.663 -5.445 1.00 1.48 H new ATOM 0 HD2 ARG A 42 10.279 5.943 -4.321 1.00 1.67 H new ATOM 0 HD3 ARG A 42 8.932 5.794 -3.210 1.00 1.67 H new ATOM 0 HE ARG A 42 7.841 4.206 -4.734 1.00 2.07 H new ATOM 0 HH11 ARG A 42 11.063 3.951 -4.957 1.00 2.82 H new ATOM 0 HH12 ARG A 42 11.149 3.503 -6.664 1.00 2.82 H new ATOM 0 HH21 ARG A 42 7.830 4.377 -7.288 1.00 3.19 H new ATOM 0 HH22 ARG A 42 9.330 3.743 -7.974 1.00 3.19 H new ATOM 647 N ILE A 43 7.721 9.893 -6.062 1.00 1.71 N ATOM 648 CA ILE A 43 7.931 10.485 -7.399 1.00 2.00 C ATOM 649 C ILE A 43 8.126 12.008 -7.253 1.00 2.12 C ATOM 650 O ILE A 43 8.631 12.666 -8.142 1.00 2.35 O ATOM 651 CB ILE A 43 6.633 10.119 -8.123 1.00 2.10 C ATOM 652 CG1 ILE A 43 6.967 9.239 -9.331 1.00 2.32 C ATOM 653 CG2 ILE A 43 5.872 11.371 -8.538 1.00 2.33 C ATOM 654 CD1 ILE A 43 6.976 10.055 -10.630 1.00 3.00 C ATOM 0 H ILE A 43 6.782 9.528 -5.904 1.00 1.71 H new ATOM 0 HA ILE A 43 8.811 10.131 -7.936 1.00 2.00 H new ATOM 0 HB ILE A 43 5.984 9.561 -7.448 1.00 2.10 H new ATOM 0 HG12 ILE A 43 7.941 8.773 -9.185 1.00 2.32 H new ATOM 0 HG13 ILE A 43 6.237 8.434 -9.410 1.00 2.32 H new ATOM 0 HG21 ILE A 43 4.953 11.085 -9.051 1.00 2.33 H new ATOM 0 HG22 ILE A 43 5.626 11.958 -7.653 1.00 2.33 H new ATOM 0 HG23 ILE A 43 6.491 11.968 -9.208 1.00 2.33 H new ATOM 0 HD11 ILE A 43 7.216 9.401 -11.469 1.00 3.00 H new ATOM 0 HD12 ILE A 43 5.993 10.500 -10.787 1.00 3.00 H new ATOM 0 HD13 ILE A 43 7.725 10.844 -10.559 1.00 3.00 H new ATOM 666 N SER A 44 7.735 12.557 -6.114 1.00 2.02 N ATOM 667 CA SER A 44 7.893 14.026 -5.848 1.00 2.20 C ATOM 668 C SER A 44 7.000 14.870 -6.771 1.00 2.36 C ATOM 669 O SER A 44 6.020 14.391 -7.318 1.00 2.38 O ATOM 670 CB SER A 44 9.374 14.334 -6.086 1.00 2.35 C ATOM 671 OG SER A 44 9.629 15.686 -5.715 1.00 2.52 O ATOM 0 H SER A 44 7.307 12.035 -5.349 1.00 2.02 H new ATOM 0 HA SER A 44 7.587 14.275 -4.832 1.00 2.20 H new ATOM 0 HB2 SER A 44 9.998 13.658 -5.501 1.00 2.35 H new ATOM 0 HB3 SER A 44 9.628 14.176 -7.134 1.00 2.35 H new ATOM 0 HG SER A 44 9.071 15.925 -4.946 1.00 2.52 H new ATOM 677 N GLN A 45 7.340 16.130 -6.929 1.00 2.52 N ATOM 678 CA GLN A 45 6.543 17.051 -7.794 1.00 2.72 C ATOM 679 C GLN A 45 5.045 16.971 -7.428 1.00 2.69 C ATOM 680 O GLN A 45 4.660 17.332 -6.332 1.00 2.74 O ATOM 681 CB GLN A 45 6.844 16.577 -9.218 1.00 2.82 C ATOM 682 CG GLN A 45 8.244 17.063 -9.617 1.00 3.01 C ATOM 683 CD GLN A 45 8.706 16.423 -10.936 1.00 3.34 C ATOM 684 OE1 GLN A 45 9.811 16.658 -11.371 1.00 3.76 O ATOM 685 NE2 GLN A 45 7.918 15.626 -11.602 1.00 3.44 N ATOM 0 H GLN A 45 8.151 16.562 -6.486 1.00 2.52 H new ATOM 0 HA GLN A 45 6.801 18.103 -7.671 1.00 2.72 H new ATOM 0 HB2 GLN A 45 6.793 15.490 -9.272 1.00 2.82 H new ATOM 0 HB3 GLN A 45 6.098 16.966 -9.911 1.00 2.82 H new ATOM 0 HG2 GLN A 45 8.238 18.148 -9.720 1.00 3.01 H new ATOM 0 HG3 GLN A 45 8.954 16.822 -8.826 1.00 3.01 H new ATOM 0 HE21 GLN A 45 6.984 15.419 -11.248 1.00 3.44 H new ATOM 0 HE22 GLN A 45 8.235 15.210 -12.477 1.00 3.44 H new ATOM 694 N SER A 46 4.197 16.512 -8.315 1.00 2.69 N ATOM 695 CA SER A 46 2.746 16.422 -7.984 1.00 2.73 C ATOM 696 C SER A 46 2.089 15.278 -8.766 1.00 2.67 C ATOM 697 O SER A 46 0.960 15.385 -9.209 1.00 2.77 O ATOM 698 CB SER A 46 2.160 17.775 -8.392 1.00 3.00 C ATOM 699 OG SER A 46 1.793 18.500 -7.223 1.00 3.24 O ATOM 0 H SER A 46 4.449 16.197 -9.252 1.00 2.69 H new ATOM 0 HA SER A 46 2.575 16.212 -6.928 1.00 2.73 H new ATOM 0 HB2 SER A 46 2.890 18.341 -8.971 1.00 3.00 H new ATOM 0 HB3 SER A 46 1.290 17.629 -9.032 1.00 3.00 H new ATOM 0 HG SER A 46 1.419 19.368 -7.481 1.00 3.24 H new ATOM 705 N GLU A 47 2.788 14.184 -8.939 1.00 2.56 N ATOM 706 CA GLU A 47 2.216 13.037 -9.693 1.00 2.53 C ATOM 707 C GLU A 47 2.164 11.780 -8.817 1.00 2.33 C ATOM 708 O GLU A 47 3.023 11.550 -7.985 1.00 2.29 O ATOM 709 CB GLU A 47 3.158 12.817 -10.879 1.00 2.59 C ATOM 710 CG GLU A 47 3.172 14.062 -11.778 1.00 2.84 C ATOM 711 CD GLU A 47 4.424 14.893 -11.493 1.00 2.88 C ATOM 712 OE1 GLU A 47 5.498 14.460 -11.870 1.00 2.92 O ATOM 713 OE2 GLU A 47 4.289 15.951 -10.902 1.00 2.98 O ATOM 0 H GLU A 47 3.734 14.040 -8.587 1.00 2.56 H new ATOM 0 HA GLU A 47 1.194 13.240 -10.014 1.00 2.53 H new ATOM 0 HB2 GLU A 47 4.165 12.607 -10.520 1.00 2.59 H new ATOM 0 HB3 GLU A 47 2.836 11.948 -11.453 1.00 2.59 H new ATOM 0 HG2 GLU A 47 3.153 13.765 -12.827 1.00 2.84 H new ATOM 0 HG3 GLU A 47 2.279 14.661 -11.600 1.00 2.84 H new ATOM 720 N ASP A 48 1.165 10.964 -9.008 1.00 2.24 N ATOM 721 CA ASP A 48 1.048 9.714 -8.201 1.00 2.08 C ATOM 722 C ASP A 48 0.596 8.539 -9.090 1.00 2.02 C ATOM 723 O ASP A 48 0.066 7.545 -8.609 1.00 1.95 O ATOM 724 CB ASP A 48 -0.006 10.047 -7.143 1.00 2.11 C ATOM 725 CG ASP A 48 0.181 9.146 -5.925 1.00 2.01 C ATOM 726 OD1 ASP A 48 1.291 9.069 -5.430 1.00 2.00 O ATOM 727 OD2 ASP A 48 -0.800 8.551 -5.511 1.00 2.03 O ATOM 0 H ASP A 48 0.421 11.108 -9.691 1.00 2.24 H new ATOM 0 HA ASP A 48 1.994 9.407 -7.755 1.00 2.08 H new ATOM 0 HB2 ASP A 48 0.078 11.093 -6.849 1.00 2.11 H new ATOM 0 HB3 ASP A 48 -1.005 9.912 -7.557 1.00 2.11 H new ATOM 732 N GLU A 49 0.798 8.644 -10.381 1.00 2.09 N ATOM 733 CA GLU A 49 0.381 7.552 -11.309 1.00 2.07 C ATOM 734 C GLU A 49 1.383 6.394 -11.249 1.00 1.94 C ATOM 735 O GLU A 49 2.017 6.041 -12.227 1.00 2.08 O ATOM 736 CB GLU A 49 0.354 8.203 -12.697 1.00 2.30 C ATOM 737 CG GLU A 49 -1.041 8.792 -12.967 1.00 2.38 C ATOM 738 CD GLU A 49 -1.545 9.561 -11.739 1.00 2.47 C ATOM 739 OE1 GLU A 49 -0.956 10.580 -11.413 1.00 2.70 O ATOM 740 OE2 GLU A 49 -2.510 9.112 -11.145 1.00 2.46 O ATOM 0 H GLU A 49 1.237 9.446 -10.833 1.00 2.09 H new ATOM 0 HA GLU A 49 -0.589 7.128 -11.050 1.00 2.07 H new ATOM 0 HB2 GLU A 49 1.108 8.988 -12.756 1.00 2.30 H new ATOM 0 HB3 GLU A 49 0.602 7.465 -13.460 1.00 2.30 H new ATOM 0 HG2 GLU A 49 -1.001 9.458 -13.829 1.00 2.38 H new ATOM 0 HG3 GLU A 49 -1.739 7.992 -13.214 1.00 2.38 H new ATOM 747 N GLU A 50 1.529 5.806 -10.092 1.00 1.76 N ATOM 748 CA GLU A 50 2.483 4.675 -9.925 1.00 1.66 C ATOM 749 C GLU A 50 1.730 3.429 -9.416 1.00 1.47 C ATOM 750 O GLU A 50 0.718 3.048 -9.970 1.00 1.54 O ATOM 751 CB GLU A 50 3.495 5.201 -8.901 1.00 1.64 C ATOM 752 CG GLU A 50 4.820 4.444 -9.040 1.00 1.66 C ATOM 753 CD GLU A 50 5.386 4.148 -7.652 1.00 1.50 C ATOM 754 OE1 GLU A 50 4.781 3.362 -6.944 1.00 1.55 O ATOM 755 OE2 GLU A 50 6.415 4.714 -7.319 1.00 1.44 O ATOM 0 H GLU A 50 1.021 6.065 -9.246 1.00 1.76 H new ATOM 0 HA GLU A 50 2.972 4.367 -10.849 1.00 1.66 H new ATOM 0 HB2 GLU A 50 3.658 6.268 -9.053 1.00 1.64 H new ATOM 0 HB3 GLU A 50 3.101 5.080 -7.892 1.00 1.64 H new ATOM 0 HG2 GLU A 50 4.664 3.514 -9.587 1.00 1.66 H new ATOM 0 HG3 GLU A 50 5.531 5.037 -9.616 1.00 1.66 H new ATOM 762 N SER A 51 2.202 2.790 -8.371 1.00 1.37 N ATOM 763 CA SER A 51 1.491 1.577 -7.851 1.00 1.25 C ATOM 764 C SER A 51 1.798 1.358 -6.366 1.00 1.02 C ATOM 765 O SER A 51 0.918 1.093 -5.572 1.00 1.10 O ATOM 766 CB SER A 51 2.017 0.413 -8.694 1.00 1.39 C ATOM 767 OG SER A 51 0.948 -0.478 -8.990 1.00 1.90 O ATOM 0 H SER A 51 3.043 3.054 -7.858 1.00 1.37 H new ATOM 0 HA SER A 51 0.408 1.677 -7.927 1.00 1.25 H new ATOM 0 HB2 SER A 51 2.458 0.789 -9.617 1.00 1.39 H new ATOM 0 HB3 SER A 51 2.805 -0.113 -8.155 1.00 1.39 H new ATOM 0 HG SER A 51 1.283 -1.223 -9.531 1.00 1.90 H new ATOM 773 N ILE A 52 3.040 1.488 -5.991 1.00 0.91 N ATOM 774 CA ILE A 52 3.434 1.309 -4.559 1.00 0.88 C ATOM 775 C ILE A 52 2.987 2.528 -3.748 1.00 1.03 C ATOM 776 O ILE A 52 2.392 2.404 -2.694 1.00 1.19 O ATOM 777 CB ILE A 52 4.965 1.211 -4.579 1.00 0.89 C ATOM 778 CG1 ILE A 52 5.403 0.083 -5.515 1.00 0.99 C ATOM 779 CG2 ILE A 52 5.478 0.919 -3.171 1.00 1.10 C ATOM 780 CD1 ILE A 52 6.862 0.298 -5.921 1.00 1.27 C ATOM 0 H ILE A 52 3.810 1.713 -6.621 1.00 0.91 H new ATOM 0 HA ILE A 52 2.977 0.430 -4.104 1.00 0.88 H new ATOM 0 HB ILE A 52 5.376 2.157 -4.933 1.00 0.89 H new ATOM 0 HG12 ILE A 52 5.290 -0.881 -5.019 1.00 0.99 H new ATOM 0 HG13 ILE A 52 4.767 0.062 -6.400 1.00 0.99 H new ATOM 0 HG21 ILE A 52 6.566 0.850 -3.187 1.00 1.10 H new ATOM 0 HG22 ILE A 52 5.176 1.723 -2.500 1.00 1.10 H new ATOM 0 HG23 ILE A 52 5.060 -0.024 -2.820 1.00 1.10 H new ATOM 0 HD11 ILE A 52 7.176 -0.505 -6.588 1.00 1.27 H new ATOM 0 HD12 ILE A 52 6.960 1.255 -6.434 1.00 1.27 H new ATOM 0 HD13 ILE A 52 7.491 0.297 -5.031 1.00 1.27 H new ATOM 792 N VAL A 53 3.271 3.707 -4.241 1.00 1.12 N ATOM 793 CA VAL A 53 2.859 4.950 -3.507 1.00 1.40 C ATOM 794 C VAL A 53 1.352 5.198 -3.678 1.00 1.55 C ATOM 795 O VAL A 53 0.706 5.743 -2.805 1.00 1.73 O ATOM 796 CB VAL A 53 3.679 6.100 -4.118 1.00 1.59 C ATOM 797 CG1 VAL A 53 5.170 5.774 -4.016 1.00 1.45 C ATOM 798 CG2 VAL A 53 3.309 6.309 -5.594 1.00 1.71 C ATOM 0 H VAL A 53 3.769 3.866 -5.117 1.00 1.12 H new ATOM 0 HA VAL A 53 3.045 4.863 -2.436 1.00 1.40 H new ATOM 0 HB VAL A 53 3.456 7.014 -3.567 1.00 1.59 H new ATOM 0 HG11 VAL A 53 5.751 6.588 -4.449 1.00 1.45 H new ATOM 0 HG12 VAL A 53 5.444 5.649 -2.968 1.00 1.45 H new ATOM 0 HG13 VAL A 53 5.379 4.852 -4.558 1.00 1.45 H new ATOM 0 HG21 VAL A 53 3.901 7.127 -6.005 1.00 1.71 H new ATOM 0 HG22 VAL A 53 3.514 5.396 -6.153 1.00 1.71 H new ATOM 0 HG23 VAL A 53 2.250 6.553 -5.673 1.00 1.71 H new ATOM 808 N GLY A 54 0.793 4.790 -4.792 1.00 1.56 N ATOM 809 CA GLY A 54 -0.673 4.987 -5.026 1.00 1.77 C ATOM 810 C GLY A 54 -1.408 3.659 -4.830 1.00 1.67 C ATOM 811 O GLY A 54 -2.075 3.172 -5.725 1.00 1.77 O ATOM 0 H GLY A 54 1.291 4.327 -5.552 1.00 1.56 H new ATOM 0 HA2 GLY A 54 -1.064 5.736 -4.337 1.00 1.77 H new ATOM 0 HA3 GLY A 54 -0.843 5.363 -6.035 1.00 1.77 H new ATOM 815 N ASP A 55 -1.285 3.069 -3.664 1.00 1.57 N ATOM 816 CA ASP A 55 -1.971 1.766 -3.394 1.00 1.54 C ATOM 817 C ASP A 55 -3.491 1.964 -3.313 1.00 1.88 C ATOM 818 O ASP A 55 -3.974 2.923 -2.736 1.00 2.15 O ATOM 819 CB ASP A 55 -1.413 1.293 -2.047 1.00 1.52 C ATOM 820 CG ASP A 55 -1.768 -0.178 -1.831 1.00 1.56 C ATOM 821 OD1 ASP A 55 -1.297 -0.998 -2.600 1.00 1.43 O ATOM 822 OD2 ASP A 55 -2.502 -0.460 -0.898 1.00 2.06 O ATOM 0 H ASP A 55 -0.737 3.436 -2.886 1.00 1.57 H new ATOM 0 HA ASP A 55 -1.794 1.038 -4.186 1.00 1.54 H new ATOM 0 HB2 ASP A 55 -0.331 1.423 -2.025 1.00 1.52 H new ATOM 0 HB3 ASP A 55 -1.824 1.899 -1.239 1.00 1.52 H new ATOM 827 N GLY A 56 -4.246 1.074 -3.902 1.00 1.97 N ATOM 828 CA GLY A 56 -5.730 1.216 -3.879 1.00 2.35 C ATOM 829 C GLY A 56 -6.201 1.548 -5.288 1.00 2.45 C ATOM 830 O GLY A 56 -6.855 2.546 -5.513 1.00 2.62 O ATOM 0 H GLY A 56 -3.897 0.254 -4.398 1.00 1.97 H new ATOM 0 HA2 GLY A 56 -6.194 0.293 -3.531 1.00 2.35 H new ATOM 0 HA3 GLY A 56 -6.025 2.003 -3.185 1.00 2.35 H new ATOM 834 N GLU A 57 -5.849 0.715 -6.237 1.00 2.39 N ATOM 835 CA GLU A 57 -6.243 0.948 -7.660 1.00 2.59 C ATOM 836 C GLU A 57 -5.644 2.265 -8.183 1.00 2.50 C ATOM 837 O GLU A 57 -6.324 3.064 -8.799 1.00 2.71 O ATOM 838 CB GLU A 57 -7.777 0.995 -7.655 1.00 2.97 C ATOM 839 CG GLU A 57 -8.327 -0.342 -8.163 1.00 3.02 C ATOM 840 CD GLU A 57 -8.220 -0.386 -9.686 1.00 3.76 C ATOM 841 OE1 GLU A 57 -9.130 0.101 -10.337 1.00 4.21 O ATOM 842 OE2 GLU A 57 -7.232 -0.907 -10.177 1.00 4.19 O ATOM 0 H GLU A 57 -5.297 -0.129 -6.082 1.00 2.39 H new ATOM 0 HA GLU A 57 -5.871 0.164 -8.320 1.00 2.59 H new ATOM 0 HB2 GLU A 57 -8.143 1.192 -6.647 1.00 2.97 H new ATOM 0 HB3 GLU A 57 -8.129 1.810 -8.287 1.00 2.97 H new ATOM 0 HG2 GLU A 57 -7.768 -1.169 -7.724 1.00 3.02 H new ATOM 0 HG3 GLU A 57 -9.366 -0.461 -7.856 1.00 3.02 H new ATOM 849 N THR A 58 -4.367 2.487 -7.937 1.00 2.23 N ATOM 850 CA THR A 58 -3.678 3.747 -8.400 1.00 2.16 C ATOM 851 C THR A 58 -4.245 4.972 -7.666 1.00 2.21 C ATOM 852 O THR A 58 -3.518 5.698 -7.010 1.00 2.08 O ATOM 853 CB THR A 58 -3.923 3.837 -9.920 1.00 2.44 C ATOM 854 OG1 THR A 58 -3.209 2.797 -10.575 1.00 2.66 O ATOM 855 CG2 THR A 58 -3.432 5.188 -10.444 1.00 2.31 C ATOM 0 H THR A 58 -3.764 1.840 -7.428 1.00 2.23 H new ATOM 0 HA THR A 58 -2.610 3.725 -8.182 1.00 2.16 H new ATOM 0 HB THR A 58 -4.990 3.736 -10.118 1.00 2.44 H new ATOM 0 HG1 THR A 58 -3.365 2.851 -11.541 1.00 2.66 H new ATOM 0 HG21 THR A 58 -3.607 5.247 -11.518 1.00 2.31 H new ATOM 0 HG22 THR A 58 -3.973 5.991 -9.943 1.00 2.31 H new ATOM 0 HG23 THR A 58 -2.365 5.290 -10.244 1.00 2.31 H new ATOM 863 N LYS A 59 -5.527 5.198 -7.769 1.00 2.45 N ATOM 864 CA LYS A 59 -6.175 6.351 -7.082 1.00 2.58 C ATOM 865 C LYS A 59 -7.698 6.237 -7.240 1.00 2.86 C ATOM 866 O LYS A 59 -8.190 5.316 -7.857 1.00 3.14 O ATOM 867 CB LYS A 59 -5.622 7.603 -7.770 1.00 2.57 C ATOM 868 CG LYS A 59 -4.731 8.348 -6.777 1.00 2.45 C ATOM 869 CD LYS A 59 -3.779 9.292 -7.522 1.00 2.38 C ATOM 870 CE LYS A 59 -2.813 8.485 -8.398 1.00 2.26 C ATOM 871 NZ LYS A 59 -2.073 7.587 -7.462 1.00 2.07 N ATOM 0 H LYS A 59 -6.166 4.618 -8.313 1.00 2.45 H new ATOM 0 HA LYS A 59 -5.968 6.383 -6.012 1.00 2.58 H new ATOM 0 HB2 LYS A 59 -5.052 7.327 -8.657 1.00 2.57 H new ATOM 0 HB3 LYS A 59 -6.438 8.245 -8.102 1.00 2.57 H new ATOM 0 HG2 LYS A 59 -5.347 8.917 -6.081 1.00 2.45 H new ATOM 0 HG3 LYS A 59 -4.158 7.634 -6.186 1.00 2.45 H new ATOM 0 HD2 LYS A 59 -4.351 9.984 -8.140 1.00 2.38 H new ATOM 0 HD3 LYS A 59 -3.218 9.893 -6.807 1.00 2.38 H new ATOM 0 HE2 LYS A 59 -3.354 7.908 -9.148 1.00 2.26 H new ATOM 0 HE3 LYS A 59 -2.128 9.142 -8.934 1.00 2.26 H new ATOM 0 HZ1 LYS A 59 -1.121 7.403 -7.838 1.00 2.07 H new ATOM 0 HZ2 LYS A 59 -1.996 8.044 -6.531 1.00 2.07 H new ATOM 0 HZ3 LYS A 59 -2.587 6.688 -7.365 1.00 2.07 H new ATOM 885 N GLU A 60 -8.443 7.148 -6.676 1.00 2.86 N ATOM 886 CA GLU A 60 -9.935 7.070 -6.780 1.00 3.15 C ATOM 887 C GLU A 60 -10.421 7.487 -8.179 1.00 2.91 C ATOM 888 O GLU A 60 -10.371 8.653 -8.533 1.00 2.37 O ATOM 889 CB GLU A 60 -10.451 8.040 -5.716 1.00 3.07 C ATOM 890 CG GLU A 60 -11.618 7.388 -4.966 1.00 3.74 C ATOM 891 CD GLU A 60 -12.866 7.413 -5.848 1.00 3.68 C ATOM 892 OE1 GLU A 60 -13.575 8.403 -5.807 1.00 3.43 O ATOM 893 OE2 GLU A 60 -13.086 6.445 -6.559 1.00 3.98 O ATOM 0 H GLU A 60 -8.087 7.944 -6.147 1.00 2.86 H new ATOM 0 HA GLU A 60 -10.299 6.054 -6.627 1.00 3.15 H new ATOM 0 HB2 GLU A 60 -9.652 8.294 -5.020 1.00 3.07 H new ATOM 0 HB3 GLU A 60 -10.776 8.970 -6.181 1.00 3.07 H new ATOM 0 HG2 GLU A 60 -11.366 6.361 -4.702 1.00 3.74 H new ATOM 0 HG3 GLU A 60 -11.808 7.919 -4.033 1.00 3.74 H new ATOM 900 N PRO A 61 -10.889 6.515 -8.932 1.00 3.44 N ATOM 901 CA PRO A 61 -11.394 6.794 -10.302 1.00 3.51 C ATOM 902 C PRO A 61 -12.748 7.516 -10.252 1.00 3.33 C ATOM 903 O PRO A 61 -13.052 8.320 -11.113 1.00 3.19 O ATOM 904 CB PRO A 61 -11.519 5.407 -10.928 1.00 4.26 C ATOM 905 CG PRO A 61 -11.689 4.469 -9.774 1.00 4.57 C ATOM 906 CD PRO A 61 -10.998 5.090 -8.586 1.00 4.14 C ATOM 0 HA PRO A 61 -10.739 7.451 -10.873 1.00 3.51 H new ATOM 0 HB2 PRO A 61 -12.371 5.356 -11.605 1.00 4.26 H new ATOM 0 HB3 PRO A 61 -10.633 5.157 -11.511 1.00 4.26 H new ATOM 0 HG2 PRO A 61 -12.746 4.307 -9.563 1.00 4.57 H new ATOM 0 HG3 PRO A 61 -11.257 3.495 -10.004 1.00 4.57 H new ATOM 0 HD2 PRO A 61 -11.573 4.946 -7.671 1.00 4.14 H new ATOM 0 HD3 PRO A 61 -10.017 4.645 -8.419 1.00 4.14 H new ATOM 914 N PHE A 62 -13.561 7.259 -9.249 1.00 3.47 N ATOM 915 CA PHE A 62 -14.881 7.961 -9.165 1.00 3.33 C ATOM 916 C PHE A 62 -14.662 9.458 -8.934 1.00 2.66 C ATOM 917 O PHE A 62 -15.455 10.279 -9.350 1.00 2.56 O ATOM 918 CB PHE A 62 -15.627 7.334 -7.984 1.00 3.72 C ATOM 919 CG PHE A 62 -17.119 7.436 -8.227 1.00 3.97 C ATOM 920 CD1 PHE A 62 -17.802 8.607 -7.891 1.00 3.88 C ATOM 921 CD2 PHE A 62 -17.809 6.363 -8.796 1.00 4.67 C ATOM 922 CE1 PHE A 62 -19.179 8.705 -8.124 1.00 4.23 C ATOM 923 CE2 PHE A 62 -19.187 6.462 -9.029 1.00 5.03 C ATOM 924 CZ PHE A 62 -19.871 7.633 -8.693 1.00 4.69 C ATOM 0 H PHE A 62 -13.368 6.601 -8.494 1.00 3.47 H new ATOM 0 HA PHE A 62 -15.453 7.855 -10.087 1.00 3.33 H new ATOM 0 HB2 PHE A 62 -15.336 6.290 -7.867 1.00 3.72 H new ATOM 0 HB3 PHE A 62 -15.361 7.844 -7.058 1.00 3.72 H new ATOM 0 HD1 PHE A 62 -17.268 9.437 -7.452 1.00 3.88 H new ATOM 0 HD2 PHE A 62 -17.281 5.458 -9.056 1.00 4.67 H new ATOM 0 HE1 PHE A 62 -19.707 9.610 -7.864 1.00 4.23 H new ATOM 0 HE2 PHE A 62 -19.721 5.633 -9.469 1.00 5.03 H new ATOM 0 HZ PHE A 62 -20.933 7.709 -8.873 1.00 4.69 H new ATOM 934 N LEU A 63 -13.578 9.818 -8.286 1.00 2.31 N ATOM 935 CA LEU A 63 -13.279 11.269 -8.038 1.00 1.82 C ATOM 936 C LEU A 63 -13.268 12.023 -9.364 1.00 1.73 C ATOM 937 O LEU A 63 -13.719 13.150 -9.458 1.00 1.61 O ATOM 938 CB LEU A 63 -11.886 11.299 -7.405 1.00 1.80 C ATOM 939 CG LEU A 63 -11.996 11.656 -5.925 1.00 2.31 C ATOM 940 CD1 LEU A 63 -10.648 11.410 -5.249 1.00 2.72 C ATOM 941 CD2 LEU A 63 -12.379 13.131 -5.784 1.00 2.48 C ATOM 0 H LEU A 63 -12.884 9.168 -7.916 1.00 2.31 H new ATOM 0 HA LEU A 63 -14.024 11.738 -7.395 1.00 1.82 H new ATOM 0 HB2 LEU A 63 -11.404 10.328 -7.519 1.00 1.80 H new ATOM 0 HB3 LEU A 63 -11.259 12.028 -7.918 1.00 1.80 H new ATOM 0 HG LEU A 63 -12.760 11.039 -5.453 1.00 2.31 H new ATOM 0 HD11 LEU A 63 -10.720 11.663 -4.191 1.00 2.72 H new ATOM 0 HD12 LEU A 63 -10.375 10.360 -5.353 1.00 2.72 H new ATOM 0 HD13 LEU A 63 -9.886 12.031 -5.720 1.00 2.72 H new ATOM 0 HD21 LEU A 63 -12.458 13.387 -4.727 1.00 2.48 H new ATOM 0 HD22 LEU A 63 -11.615 13.752 -6.252 1.00 2.48 H new ATOM 0 HD23 LEU A 63 -13.338 13.306 -6.272 1.00 2.48 H new ATOM 953 N LEU A 64 -12.769 11.388 -10.388 1.00 2.06 N ATOM 954 CA LEU A 64 -12.729 12.024 -11.734 1.00 2.48 C ATOM 955 C LEU A 64 -14.142 12.459 -12.132 1.00 2.67 C ATOM 956 O LEU A 64 -14.352 13.576 -12.557 1.00 2.73 O ATOM 957 CB LEU A 64 -12.193 10.933 -12.670 1.00 3.03 C ATOM 958 CG LEU A 64 -10.755 11.260 -13.071 1.00 3.31 C ATOM 959 CD1 LEU A 64 -9.816 10.182 -12.524 1.00 3.69 C ATOM 960 CD2 LEU A 64 -10.660 11.302 -14.596 1.00 3.90 C ATOM 0 H LEU A 64 -12.383 10.445 -10.349 1.00 2.06 H new ATOM 0 HA LEU A 64 -12.103 12.915 -11.769 1.00 2.48 H new ATOM 0 HB2 LEU A 64 -12.231 9.963 -12.173 1.00 3.03 H new ATOM 0 HB3 LEU A 64 -12.821 10.861 -13.558 1.00 3.03 H new ATOM 0 HG LEU A 64 -10.467 12.228 -12.660 1.00 3.31 H new ATOM 0 HD11 LEU A 64 -8.790 10.414 -12.809 1.00 3.69 H new ATOM 0 HD12 LEU A 64 -9.892 10.151 -11.437 1.00 3.69 H new ATOM 0 HD13 LEU A 64 -10.096 9.212 -12.935 1.00 3.69 H new ATOM 0 HD21 LEU A 64 -9.637 11.535 -14.891 1.00 3.90 H new ATOM 0 HD22 LEU A 64 -10.944 10.332 -15.005 1.00 3.90 H new ATOM 0 HD23 LEU A 64 -11.332 12.069 -14.981 1.00 3.90 H new ATOM 972 N VAL A 65 -15.113 11.596 -11.966 1.00 2.92 N ATOM 973 CA VAL A 65 -16.527 11.969 -12.311 1.00 3.23 C ATOM 974 C VAL A 65 -17.107 12.844 -11.201 1.00 2.74 C ATOM 975 O VAL A 65 -17.786 13.817 -11.452 1.00 2.78 O ATOM 976 CB VAL A 65 -17.309 10.659 -12.398 1.00 3.76 C ATOM 977 CG1 VAL A 65 -18.629 10.908 -13.125 1.00 4.23 C ATOM 978 CG2 VAL A 65 -16.501 9.608 -13.169 1.00 4.15 C ATOM 0 H VAL A 65 -14.992 10.649 -11.607 1.00 2.92 H new ATOM 0 HA VAL A 65 -16.579 12.524 -13.248 1.00 3.23 H new ATOM 0 HB VAL A 65 -17.500 10.292 -11.389 1.00 3.76 H new ATOM 0 HG11 VAL A 65 -19.190 9.976 -13.189 1.00 4.23 H new ATOM 0 HG12 VAL A 65 -19.213 11.646 -12.576 1.00 4.23 H new ATOM 0 HG13 VAL A 65 -18.427 11.280 -14.129 1.00 4.23 H new ATOM 0 HG21 VAL A 65 -17.070 8.680 -13.223 1.00 4.15 H new ATOM 0 HG22 VAL A 65 -16.301 9.971 -14.177 1.00 4.15 H new ATOM 0 HG23 VAL A 65 -15.557 9.426 -12.655 1.00 4.15 H new ATOM 988 N GLN A 66 -16.818 12.503 -9.974 1.00 2.36 N ATOM 989 CA GLN A 66 -17.310 13.306 -8.809 1.00 2.03 C ATOM 990 C GLN A 66 -16.924 14.772 -9.017 1.00 1.60 C ATOM 991 O GLN A 66 -17.706 15.673 -8.794 1.00 1.59 O ATOM 992 CB GLN A 66 -16.588 12.710 -7.594 1.00 1.95 C ATOM 993 CG GLN A 66 -17.609 12.212 -6.571 1.00 2.23 C ATOM 994 CD GLN A 66 -16.987 12.254 -5.176 1.00 2.31 C ATOM 995 OE1 GLN A 66 -17.273 13.144 -4.402 1.00 2.27 O ATOM 996 NE2 GLN A 66 -16.132 11.340 -4.820 1.00 2.63 N ATOM 0 H GLN A 66 -16.254 11.691 -9.723 1.00 2.36 H new ATOM 0 HA GLN A 66 -18.392 13.272 -8.684 1.00 2.03 H new ATOM 0 HB2 GLN A 66 -15.946 11.887 -7.910 1.00 1.95 H new ATOM 0 HB3 GLN A 66 -15.943 13.462 -7.140 1.00 1.95 H new ATOM 0 HG2 GLN A 66 -18.504 12.833 -6.601 1.00 2.23 H new ATOM 0 HG3 GLN A 66 -17.918 11.195 -6.814 1.00 2.23 H new ATOM 0 HE21 GLN A 66 -15.888 10.590 -5.467 1.00 2.63 H new ATOM 0 HE22 GLN A 66 -15.705 11.374 -3.894 1.00 2.63 H new ATOM 1005 N TYR A 67 -15.724 14.989 -9.485 1.00 1.48 N ATOM 1006 CA TYR A 67 -15.235 16.372 -9.774 1.00 1.61 C ATOM 1007 C TYR A 67 -15.829 16.850 -11.100 1.00 2.12 C ATOM 1008 O TYR A 67 -16.334 17.952 -11.207 1.00 2.25 O ATOM 1009 CB TYR A 67 -13.722 16.227 -9.895 1.00 1.88 C ATOM 1010 CG TYR A 67 -13.040 17.426 -9.285 1.00 2.46 C ATOM 1011 CD1 TYR A 67 -12.868 18.587 -10.041 1.00 3.36 C ATOM 1012 CD2 TYR A 67 -12.576 17.372 -7.970 1.00 2.79 C ATOM 1013 CE1 TYR A 67 -12.223 19.697 -9.482 1.00 4.25 C ATOM 1014 CE2 TYR A 67 -11.933 18.484 -7.410 1.00 3.83 C ATOM 1015 CZ TYR A 67 -11.754 19.644 -8.167 1.00 4.44 C ATOM 1016 OH TYR A 67 -11.113 20.734 -7.616 1.00 5.54 O ATOM 0 H TYR A 67 -15.047 14.252 -9.684 1.00 1.48 H new ATOM 0 HA TYR A 67 -15.517 17.093 -9.007 1.00 1.61 H new ATOM 0 HB2 TYR A 67 -13.394 15.317 -9.393 1.00 1.88 H new ATOM 0 HB3 TYR A 67 -13.440 16.132 -10.944 1.00 1.88 H new ATOM 0 HD1 TYR A 67 -13.232 18.629 -11.057 1.00 3.36 H new ATOM 0 HD2 TYR A 67 -12.712 16.475 -7.385 1.00 2.79 H new ATOM 0 HE1 TYR A 67 -12.088 20.594 -10.068 1.00 4.25 H new ATOM 0 HE2 TYR A 67 -11.575 18.444 -6.392 1.00 3.83 H new ATOM 0 HH TYR A 67 -10.853 20.529 -6.694 1.00 5.54 H new ATOM 1026 N SER A 68 -15.778 16.006 -12.104 1.00 2.53 N ATOM 1027 CA SER A 68 -16.348 16.356 -13.449 1.00 3.20 C ATOM 1028 C SER A 68 -17.813 16.773 -13.306 1.00 3.19 C ATOM 1029 O SER A 68 -18.291 17.612 -14.033 1.00 3.57 O ATOM 1030 CB SER A 68 -16.257 15.081 -14.285 1.00 3.60 C ATOM 1031 OG SER A 68 -14.892 14.746 -14.497 1.00 3.71 O ATOM 0 H SER A 68 -15.360 15.077 -12.049 1.00 2.53 H new ATOM 0 HA SER A 68 -15.808 17.184 -13.909 1.00 3.20 H new ATOM 0 HB2 SER A 68 -16.768 14.263 -13.776 1.00 3.60 H new ATOM 0 HB3 SER A 68 -16.759 15.225 -15.242 1.00 3.60 H new ATOM 0 HG SER A 68 -14.506 14.402 -13.664 1.00 3.71 H new ATOM 1037 N ALA A 69 -18.529 16.189 -12.378 1.00 2.89 N ATOM 1038 CA ALA A 69 -19.960 16.566 -12.190 1.00 3.00 C ATOM 1039 C ALA A 69 -20.064 17.755 -11.223 1.00 2.49 C ATOM 1040 O ALA A 69 -20.707 18.746 -11.504 1.00 2.53 O ATOM 1041 CB ALA A 69 -20.614 15.320 -11.597 1.00 3.16 C ATOM 0 H ALA A 69 -18.183 15.469 -11.744 1.00 2.89 H new ATOM 0 HA ALA A 69 -20.442 16.873 -13.118 1.00 3.00 H new ATOM 0 HB1 ALA A 69 -21.673 15.511 -11.426 1.00 3.16 H new ATOM 0 HB2 ALA A 69 -20.503 14.486 -12.290 1.00 3.16 H new ATOM 0 HB3 ALA A 69 -20.133 15.072 -10.651 1.00 3.16 H new ATOM 1047 N LYS A 70 -19.427 17.647 -10.086 1.00 2.07 N ATOM 1048 CA LYS A 70 -19.471 18.750 -9.064 1.00 1.64 C ATOM 1049 C LYS A 70 -18.922 20.060 -9.623 1.00 1.66 C ATOM 1050 O LYS A 70 -19.548 21.093 -9.523 1.00 1.52 O ATOM 1051 CB LYS A 70 -18.584 18.276 -7.913 1.00 1.49 C ATOM 1052 CG LYS A 70 -19.358 17.275 -7.064 1.00 1.65 C ATOM 1053 CD LYS A 70 -18.702 17.129 -5.686 1.00 1.73 C ATOM 1054 CE LYS A 70 -17.819 15.879 -5.672 1.00 1.99 C ATOM 1055 NZ LYS A 70 -17.739 15.476 -4.234 1.00 2.07 N ATOM 0 H LYS A 70 -18.871 16.836 -9.814 1.00 2.07 H new ATOM 0 HA LYS A 70 -20.497 18.946 -8.754 1.00 1.64 H new ATOM 0 HB2 LYS A 70 -17.677 17.815 -8.303 1.00 1.49 H new ATOM 0 HB3 LYS A 70 -18.274 19.125 -7.304 1.00 1.49 H new ATOM 0 HG2 LYS A 70 -20.390 17.606 -6.950 1.00 1.65 H new ATOM 0 HG3 LYS A 70 -19.387 16.308 -7.565 1.00 1.65 H new ATOM 0 HD2 LYS A 70 -18.104 18.012 -5.460 1.00 1.73 H new ATOM 0 HD3 LYS A 70 -19.467 17.056 -4.913 1.00 1.73 H new ATOM 0 HE2 LYS A 70 -18.250 15.084 -6.281 1.00 1.99 H new ATOM 0 HE3 LYS A 70 -16.830 16.090 -6.078 1.00 1.99 H new ATOM 0 HZ1 LYS A 70 -17.555 14.454 -4.169 1.00 2.07 H new ATOM 0 HZ2 LYS A 70 -16.968 15.997 -3.770 1.00 2.07 H new ATOM 0 HZ3 LYS A 70 -18.639 15.696 -3.761 1.00 2.07 H new ATOM 1069 N GLY A 71 -17.748 20.009 -10.189 1.00 1.99 N ATOM 1070 CA GLY A 71 -17.102 21.242 -10.761 1.00 2.34 C ATOM 1071 C GLY A 71 -18.141 22.097 -11.493 1.00 2.51 C ATOM 1072 O GLY A 71 -18.417 23.211 -11.080 1.00 2.44 O ATOM 0 H GLY A 71 -17.195 19.157 -10.284 1.00 1.99 H new ATOM 0 HA2 GLY A 71 -16.641 21.823 -9.962 1.00 2.34 H new ATOM 0 HA3 GLY A 71 -16.306 20.958 -11.449 1.00 2.34 H new ATOM 1076 N PRO A 72 -18.703 21.544 -12.546 1.00 2.82 N ATOM 1077 CA PRO A 72 -19.741 22.271 -13.321 1.00 3.07 C ATOM 1078 C PRO A 72 -21.012 22.440 -12.479 1.00 2.64 C ATOM 1079 O PRO A 72 -21.592 23.504 -12.457 1.00 2.63 O ATOM 1080 CB PRO A 72 -19.982 21.380 -14.538 1.00 3.55 C ATOM 1081 CG PRO A 72 -19.566 20.018 -14.096 1.00 3.40 C ATOM 1082 CD PRO A 72 -18.437 20.215 -13.115 1.00 3.05 C ATOM 0 HA PRO A 72 -19.440 23.279 -13.608 1.00 3.07 H new ATOM 0 HB2 PRO A 72 -21.029 21.396 -14.840 1.00 3.55 H new ATOM 0 HB3 PRO A 72 -19.398 21.714 -15.396 1.00 3.55 H new ATOM 0 HG2 PRO A 72 -20.398 19.490 -13.630 1.00 3.40 H new ATOM 0 HG3 PRO A 72 -19.242 19.416 -14.945 1.00 3.40 H new ATOM 0 HD2 PRO A 72 -18.434 19.443 -12.346 1.00 3.05 H new ATOM 0 HD3 PRO A 72 -17.466 20.177 -13.608 1.00 3.05 H new ATOM 1090 N CYS A 73 -21.445 21.420 -11.767 1.00 2.35 N ATOM 1091 CA CYS A 73 -22.675 21.581 -10.921 1.00 2.05 C ATOM 1092 C CYS A 73 -22.484 22.756 -9.957 1.00 1.62 C ATOM 1093 O CYS A 73 -23.352 23.597 -9.802 1.00 1.57 O ATOM 1094 CB CYS A 73 -22.842 20.266 -10.149 1.00 1.98 C ATOM 1095 SG CYS A 73 -24.604 19.933 -9.906 1.00 2.50 S ATOM 0 H CYS A 73 -21.008 20.499 -11.735 1.00 2.35 H new ATOM 0 HA CYS A 73 -23.559 21.790 -11.524 1.00 2.05 H new ATOM 0 HB2 CYS A 73 -22.378 19.447 -10.699 1.00 1.98 H new ATOM 0 HB3 CYS A 73 -22.336 20.330 -9.186 1.00 1.98 H new ATOM 0 HG CYS A 73 -24.749 18.818 -9.254 1.00 2.50 H new ATOM 1101 N VAL A 74 -21.333 22.833 -9.339 1.00 1.43 N ATOM 1102 CA VAL A 74 -21.047 23.965 -8.407 1.00 1.33 C ATOM 1103 C VAL A 74 -20.936 25.256 -9.216 1.00 1.78 C ATOM 1104 O VAL A 74 -21.580 26.247 -8.919 1.00 1.82 O ATOM 1105 CB VAL A 74 -19.711 23.612 -7.734 1.00 1.40 C ATOM 1106 CG1 VAL A 74 -19.169 24.827 -6.971 1.00 1.79 C ATOM 1107 CG2 VAL A 74 -19.918 22.453 -6.755 1.00 1.17 C ATOM 0 H VAL A 74 -20.576 22.157 -9.441 1.00 1.43 H new ATOM 0 HA VAL A 74 -21.829 24.113 -7.662 1.00 1.33 H new ATOM 0 HB VAL A 74 -18.995 23.321 -8.503 1.00 1.40 H new ATOM 0 HG11 VAL A 74 -18.222 24.567 -6.498 1.00 1.79 H new ATOM 0 HG12 VAL A 74 -19.013 25.653 -7.665 1.00 1.79 H new ATOM 0 HG13 VAL A 74 -19.886 25.126 -6.207 1.00 1.79 H new ATOM 0 HG21 VAL A 74 -18.969 22.205 -6.279 1.00 1.17 H new ATOM 0 HG22 VAL A 74 -20.641 22.745 -5.993 1.00 1.17 H new ATOM 0 HG23 VAL A 74 -20.292 21.583 -7.295 1.00 1.17 H new ATOM 1117 N GLU A 75 -20.139 25.233 -10.252 1.00 2.21 N ATOM 1118 CA GLU A 75 -19.978 26.437 -11.129 1.00 2.75 C ATOM 1119 C GLU A 75 -21.355 26.944 -11.579 1.00 2.73 C ATOM 1120 O GLU A 75 -21.615 28.132 -11.617 1.00 2.94 O ATOM 1121 CB GLU A 75 -19.158 25.932 -12.330 1.00 3.21 C ATOM 1122 CG GLU A 75 -19.310 26.881 -13.532 1.00 3.75 C ATOM 1123 CD GLU A 75 -19.927 26.132 -14.717 1.00 3.96 C ATOM 1124 OE1 GLU A 75 -19.349 25.141 -15.144 1.00 4.17 O ATOM 1125 OE2 GLU A 75 -20.973 26.563 -15.187 1.00 4.00 O ATOM 0 H GLU A 75 -19.586 24.424 -10.533 1.00 2.21 H new ATOM 0 HA GLU A 75 -19.488 27.269 -10.623 1.00 2.75 H new ATOM 0 HB2 GLU A 75 -18.107 25.855 -12.052 1.00 3.21 H new ATOM 0 HB3 GLU A 75 -19.489 24.931 -12.607 1.00 3.21 H new ATOM 0 HG2 GLU A 75 -19.939 27.728 -13.259 1.00 3.75 H new ATOM 0 HG3 GLU A 75 -18.337 27.284 -13.813 1.00 3.75 H new ATOM 1132 N ARG A 76 -22.228 26.041 -11.917 1.00 2.57 N ATOM 1133 CA ARG A 76 -23.595 26.425 -12.377 1.00 2.64 C ATOM 1134 C ARG A 76 -24.423 27.033 -11.239 1.00 2.21 C ATOM 1135 O ARG A 76 -24.924 28.133 -11.357 1.00 2.35 O ATOM 1136 CB ARG A 76 -24.230 25.119 -12.859 1.00 2.73 C ATOM 1137 CG ARG A 76 -24.183 25.061 -14.388 1.00 3.34 C ATOM 1138 CD ARG A 76 -23.394 23.825 -14.816 1.00 3.45 C ATOM 1139 NE ARG A 76 -22.294 24.349 -15.687 1.00 4.06 N ATOM 1140 CZ ARG A 76 -21.786 23.616 -16.631 1.00 4.39 C ATOM 1141 NH1 ARG A 76 -22.560 22.930 -17.412 1.00 4.68 N ATOM 1142 NH2 ARG A 76 -20.500 23.591 -16.799 1.00 4.51 N ATOM 0 H ARG A 76 -22.053 25.036 -11.895 1.00 2.57 H new ATOM 0 HA ARG A 76 -23.553 27.184 -13.158 1.00 2.64 H new ATOM 0 HB2 ARG A 76 -23.699 24.266 -12.436 1.00 2.73 H new ATOM 0 HB3 ARG A 76 -25.262 25.055 -12.514 1.00 2.73 H new ATOM 0 HG2 ARG A 76 -25.194 25.022 -14.794 1.00 3.34 H new ATOM 0 HG3 ARG A 76 -23.715 25.962 -14.785 1.00 3.34 H new ATOM 0 HD2 ARG A 76 -22.994 23.294 -13.952 1.00 3.45 H new ATOM 0 HD3 ARG A 76 -24.026 23.122 -15.359 1.00 3.45 H new ATOM 0 HE ARG A 76 -21.939 25.294 -15.537 1.00 4.06 H new ATOM 0 HH11 ARG A 76 -23.572 22.965 -17.286 1.00 4.68 H new ATOM 0 HH12 ARG A 76 -22.158 22.355 -18.152 1.00 4.68 H new ATOM 0 HH21 ARG A 76 -19.896 24.145 -16.192 1.00 4.51 H new ATOM 0 HH22 ARG A 76 -20.093 23.018 -17.538 1.00 4.51 H new ATOM 1156 N LYS A 77 -24.585 26.330 -10.144 1.00 1.75 N ATOM 1157 CA LYS A 77 -25.409 26.903 -9.022 1.00 1.46 C ATOM 1158 C LYS A 77 -24.741 28.162 -8.455 1.00 1.65 C ATOM 1159 O LYS A 77 -25.408 29.101 -8.057 1.00 1.77 O ATOM 1160 CB LYS A 77 -25.557 25.803 -7.952 1.00 1.20 C ATOM 1161 CG LYS A 77 -24.188 25.332 -7.445 1.00 1.15 C ATOM 1162 CD LYS A 77 -24.207 25.254 -5.913 1.00 1.37 C ATOM 1163 CE LYS A 77 -22.854 25.714 -5.362 1.00 1.72 C ATOM 1164 NZ LYS A 77 -23.098 26.028 -3.923 1.00 2.15 N ATOM 0 H LYS A 77 -24.194 25.403 -9.975 1.00 1.75 H new ATOM 0 HA LYS A 77 -26.394 27.207 -9.376 1.00 1.46 H new ATOM 0 HB2 LYS A 77 -26.146 26.182 -7.117 1.00 1.20 H new ATOM 0 HB3 LYS A 77 -26.103 24.957 -8.370 1.00 1.20 H new ATOM 0 HG2 LYS A 77 -23.949 24.355 -7.866 1.00 1.15 H new ATOM 0 HG3 LYS A 77 -23.410 26.020 -7.775 1.00 1.15 H new ATOM 0 HD2 LYS A 77 -25.006 25.881 -5.516 1.00 1.37 H new ATOM 0 HD3 LYS A 77 -24.414 24.233 -5.593 1.00 1.37 H new ATOM 0 HE2 LYS A 77 -22.100 24.935 -5.472 1.00 1.72 H new ATOM 0 HE3 LYS A 77 -22.488 26.589 -5.899 1.00 1.72 H new ATOM 0 HZ1 LYS A 77 -22.195 26.018 -3.408 1.00 2.15 H new ATOM 0 HZ2 LYS A 77 -23.533 26.969 -3.842 1.00 2.15 H new ATOM 0 HZ3 LYS A 77 -23.737 25.316 -3.516 1.00 2.15 H new ATOM 1178 N ALA A 78 -23.435 28.199 -8.445 1.00 1.86 N ATOM 1179 CA ALA A 78 -22.718 29.405 -7.934 1.00 2.31 C ATOM 1180 C ALA A 78 -22.962 30.595 -8.864 1.00 2.72 C ATOM 1181 O ALA A 78 -23.335 31.667 -8.435 1.00 2.95 O ATOM 1182 CB ALA A 78 -21.235 29.022 -7.935 1.00 2.54 C ATOM 0 H ALA A 78 -22.831 27.444 -8.770 1.00 1.86 H new ATOM 0 HA ALA A 78 -23.061 29.697 -6.941 1.00 2.31 H new ATOM 0 HB1 ALA A 78 -20.642 29.861 -7.571 1.00 2.54 H new ATOM 0 HB2 ALA A 78 -21.081 28.160 -7.286 1.00 2.54 H new ATOM 0 HB3 ALA A 78 -20.924 28.772 -8.949 1.00 2.54 H new ATOM 1188 N LYS A 79 -22.758 30.413 -10.137 1.00 2.91 N ATOM 1189 CA LYS A 79 -22.976 31.549 -11.096 1.00 3.41 C ATOM 1190 C LYS A 79 -24.478 31.821 -11.306 1.00 3.23 C ATOM 1191 O LYS A 79 -24.880 32.951 -11.504 1.00 3.55 O ATOM 1192 CB LYS A 79 -22.274 31.136 -12.401 1.00 3.76 C ATOM 1193 CG LYS A 79 -23.143 30.166 -13.211 1.00 3.63 C ATOM 1194 CD LYS A 79 -22.246 29.389 -14.181 1.00 4.09 C ATOM 1195 CE LYS A 79 -22.964 29.193 -15.517 1.00 4.41 C ATOM 1196 NZ LYS A 79 -21.953 28.537 -16.398 1.00 4.68 N ATOM 0 H LYS A 79 -22.452 29.537 -10.560 1.00 2.91 H new ATOM 0 HA LYS A 79 -22.565 32.483 -10.714 1.00 3.41 H new ATOM 0 HB2 LYS A 79 -22.059 32.022 -12.998 1.00 3.76 H new ATOM 0 HB3 LYS A 79 -21.317 30.667 -12.171 1.00 3.76 H new ATOM 0 HG2 LYS A 79 -23.662 29.478 -12.544 1.00 3.63 H new ATOM 0 HG3 LYS A 79 -23.908 30.714 -13.761 1.00 3.63 H new ATOM 0 HD2 LYS A 79 -21.312 29.929 -14.337 1.00 4.09 H new ATOM 0 HD3 LYS A 79 -21.987 28.421 -13.753 1.00 4.09 H new ATOM 0 HE2 LYS A 79 -23.852 28.571 -15.402 1.00 4.41 H new ATOM 0 HE3 LYS A 79 -23.293 30.145 -15.933 1.00 4.41 H new ATOM 0 HZ1 LYS A 79 -22.439 28.011 -17.152 1.00 4.68 H new ATOM 0 HZ2 LYS A 79 -21.339 29.262 -16.822 1.00 4.68 H new ATOM 0 HZ3 LYS A 79 -21.376 27.880 -15.835 1.00 4.68 H new ATOM 1210 N LEU A 80 -25.306 30.804 -11.256 1.00 2.78 N ATOM 1211 CA LEU A 80 -26.773 31.016 -11.446 1.00 2.68 C ATOM 1212 C LEU A 80 -27.381 31.709 -10.218 1.00 2.47 C ATOM 1213 O LEU A 80 -28.003 32.744 -10.322 1.00 2.63 O ATOM 1214 CB LEU A 80 -27.356 29.611 -11.625 1.00 2.47 C ATOM 1215 CG LEU A 80 -28.864 29.705 -11.852 1.00 2.63 C ATOM 1216 CD1 LEU A 80 -29.159 29.518 -13.341 1.00 3.18 C ATOM 1217 CD2 LEU A 80 -29.573 28.616 -11.042 1.00 2.55 C ATOM 0 H LEU A 80 -25.027 29.837 -11.092 1.00 2.78 H new ATOM 0 HA LEU A 80 -26.989 31.657 -12.300 1.00 2.68 H new ATOM 0 HB2 LEU A 80 -26.881 29.115 -12.471 1.00 2.47 H new ATOM 0 HB3 LEU A 80 -27.148 29.005 -10.743 1.00 2.47 H new ATOM 0 HG LEU A 80 -29.225 30.681 -11.529 1.00 2.63 H new ATOM 0 HD11 LEU A 80 -30.234 29.584 -13.510 1.00 3.18 H new ATOM 0 HD12 LEU A 80 -28.653 30.296 -13.913 1.00 3.18 H new ATOM 0 HD13 LEU A 80 -28.800 28.540 -13.663 1.00 3.18 H new ATOM 0 HD21 LEU A 80 -30.649 28.684 -11.205 1.00 2.55 H new ATOM 0 HD22 LEU A 80 -29.219 27.636 -11.362 1.00 2.55 H new ATOM 0 HD23 LEU A 80 -29.357 28.752 -9.982 1.00 2.55 H new ATOM 1229 N MET A 81 -27.191 31.138 -9.062 1.00 2.22 N ATOM 1230 CA MET A 81 -27.738 31.743 -7.802 1.00 2.25 C ATOM 1231 C MET A 81 -26.831 32.878 -7.303 1.00 2.69 C ATOM 1232 O MET A 81 -27.219 33.664 -6.458 1.00 2.96 O ATOM 1233 CB MET A 81 -27.749 30.593 -6.786 1.00 2.02 C ATOM 1234 CG MET A 81 -29.182 30.304 -6.343 1.00 1.97 C ATOM 1235 SD MET A 81 -29.170 29.020 -5.072 1.00 2.53 S ATOM 1236 CE MET A 81 -30.958 28.766 -5.009 1.00 2.85 C ATOM 0 H MET A 81 -26.675 30.268 -8.929 1.00 2.22 H new ATOM 0 HA MET A 81 -28.727 32.175 -7.956 1.00 2.25 H new ATOM 0 HB2 MET A 81 -27.309 29.700 -7.230 1.00 2.02 H new ATOM 0 HB3 MET A 81 -27.138 30.854 -5.922 1.00 2.02 H new ATOM 0 HG2 MET A 81 -29.644 31.211 -5.954 1.00 1.97 H new ATOM 0 HG3 MET A 81 -29.780 29.982 -7.196 1.00 1.97 H new ATOM 0 HE1 MET A 81 -31.190 27.997 -4.273 1.00 2.85 H new ATOM 0 HE2 MET A 81 -31.448 29.698 -4.727 1.00 2.85 H new ATOM 0 HE3 MET A 81 -31.315 28.450 -5.989 1.00 2.85 H new ATOM 1246 N THR A 82 -25.618 32.949 -7.804 1.00 2.90 N ATOM 1247 CA THR A 82 -24.641 34.007 -7.370 1.00 3.45 C ATOM 1248 C THR A 82 -24.580 34.125 -5.836 1.00 3.60 C ATOM 1249 O THR A 82 -24.714 35.204 -5.293 1.00 3.98 O ATOM 1250 CB THR A 82 -25.101 35.337 -8.007 1.00 3.88 C ATOM 1251 OG1 THR A 82 -26.451 35.637 -7.666 1.00 3.83 O ATOM 1252 CG2 THR A 82 -24.974 35.250 -9.526 1.00 3.97 C ATOM 0 H THR A 82 -25.256 32.307 -8.509 1.00 2.90 H new ATOM 0 HA THR A 82 -23.634 33.747 -7.698 1.00 3.45 H new ATOM 0 HB THR A 82 -24.464 36.132 -7.621 1.00 3.88 H new ATOM 0 HG1 THR A 82 -26.652 35.275 -6.778 1.00 3.83 H new ATOM 0 HG21 THR A 82 -25.299 36.190 -9.973 1.00 3.97 H new ATOM 0 HG22 THR A 82 -23.934 35.061 -9.794 1.00 3.97 H new ATOM 0 HG23 THR A 82 -25.598 34.437 -9.897 1.00 3.97 H new ATOM 1260 N PRO A 83 -24.346 33.006 -5.180 1.00 3.40 N ATOM 1261 CA PRO A 83 -24.244 33.003 -3.696 1.00 3.73 C ATOM 1262 C PRO A 83 -22.864 33.517 -3.231 1.00 4.28 C ATOM 1263 O PRO A 83 -22.471 33.299 -2.098 1.00 4.68 O ATOM 1264 CB PRO A 83 -24.413 31.532 -3.332 1.00 3.49 C ATOM 1265 CG PRO A 83 -23.970 30.771 -4.544 1.00 3.10 C ATOM 1266 CD PRO A 83 -24.168 31.661 -5.743 1.00 2.98 C ATOM 0 HA PRO A 83 -24.981 33.653 -3.224 1.00 3.73 H new ATOM 0 HB2 PRO A 83 -23.811 31.271 -2.462 1.00 3.49 H new ATOM 0 HB3 PRO A 83 -25.450 31.305 -3.082 1.00 3.49 H new ATOM 0 HG2 PRO A 83 -22.923 30.481 -4.452 1.00 3.10 H new ATOM 0 HG3 PRO A 83 -24.547 29.852 -4.650 1.00 3.10 H new ATOM 0 HD2 PRO A 83 -23.308 31.622 -6.412 1.00 2.98 H new ATOM 0 HD3 PRO A 83 -25.038 31.356 -6.324 1.00 2.98 H new ATOM 1274 N ASN A 84 -22.124 34.186 -4.094 1.00 4.40 N ATOM 1275 CA ASN A 84 -20.768 34.720 -3.727 1.00 4.98 C ATOM 1276 C ASN A 84 -19.778 33.577 -3.464 1.00 4.88 C ATOM 1277 O ASN A 84 -18.707 33.528 -4.036 1.00 4.99 O ATOM 1278 CB ASN A 84 -20.998 35.564 -2.465 1.00 5.61 C ATOM 1279 CG ASN A 84 -19.999 36.717 -2.429 1.00 6.33 C ATOM 1280 OD1 ASN A 84 -19.960 37.532 -3.325 1.00 6.41 O ATOM 1281 ND2 ASN A 84 -19.179 36.820 -1.427 1.00 7.05 N ATOM 0 H ASN A 84 -22.410 34.386 -5.052 1.00 4.40 H new ATOM 0 HA ASN A 84 -20.331 35.311 -4.532 1.00 4.98 H new ATOM 0 HB2 ASN A 84 -22.017 35.952 -2.456 1.00 5.61 H new ATOM 0 HB3 ASN A 84 -20.885 34.944 -1.576 1.00 5.61 H new ATOM 0 HD21 ASN A 84 -18.505 37.585 -1.396 1.00 7.05 H new ATOM 0 HD22 ASN A 84 -19.209 36.136 -0.671 1.00 7.05 H new ATOM 1288 N GLY A 85 -20.129 32.661 -2.610 1.00 4.79 N ATOM 1289 CA GLY A 85 -19.220 31.519 -2.306 1.00 4.85 C ATOM 1290 C GLY A 85 -19.715 30.799 -1.056 1.00 5.19 C ATOM 1291 O GLY A 85 -19.082 30.862 -0.022 1.00 5.70 O ATOM 0 H GLY A 85 -21.014 32.652 -2.104 1.00 4.79 H new ATOM 0 HA2 GLY A 85 -19.190 30.829 -3.149 1.00 4.85 H new ATOM 0 HA3 GLY A 85 -18.203 31.880 -2.153 1.00 4.85 H new ATOM 1295 N PRO A 86 -20.829 30.116 -1.188 1.00 4.96 N ATOM 1296 CA PRO A 86 -21.385 29.373 -0.032 1.00 5.35 C ATOM 1297 C PRO A 86 -20.427 28.241 0.356 1.00 5.70 C ATOM 1298 O PRO A 86 -20.466 27.735 1.460 1.00 6.22 O ATOM 1299 CB PRO A 86 -22.740 28.874 -0.534 1.00 5.00 C ATOM 1300 CG PRO A 86 -22.604 28.840 -2.022 1.00 4.47 C ATOM 1301 CD PRO A 86 -21.653 29.952 -2.393 1.00 4.42 C ATOM 0 HA PRO A 86 -21.505 29.969 0.872 1.00 5.35 H new ATOM 0 HB2 PRO A 86 -22.971 27.886 -0.135 1.00 5.00 H new ATOM 0 HB3 PRO A 86 -23.546 29.539 -0.225 1.00 5.00 H new ATOM 0 HG2 PRO A 86 -22.221 27.875 -2.354 1.00 4.47 H new ATOM 0 HG3 PRO A 86 -23.572 28.981 -2.503 1.00 4.47 H new ATOM 0 HD2 PRO A 86 -21.047 29.689 -3.260 1.00 4.42 H new ATOM 0 HD3 PRO A 86 -22.186 30.869 -2.642 1.00 4.42 H new ATOM 1309 N GLU A 87 -19.528 27.886 -0.537 1.00 5.49 N ATOM 1310 CA GLU A 87 -18.513 26.836 -0.226 1.00 5.93 C ATOM 1311 C GLU A 87 -17.526 27.400 0.806 1.00 6.50 C ATOM 1312 O GLU A 87 -16.984 26.685 1.624 1.00 7.01 O ATOM 1313 CB GLU A 87 -17.786 26.558 -1.554 1.00 5.62 C ATOM 1314 CG GLU A 87 -18.705 25.805 -2.528 1.00 5.26 C ATOM 1315 CD GLU A 87 -19.652 26.788 -3.214 1.00 4.65 C ATOM 1316 OE1 GLU A 87 -19.186 27.803 -3.703 1.00 4.65 O ATOM 1317 OE2 GLU A 87 -20.835 26.515 -3.226 1.00 4.45 O ATOM 0 H GLU A 87 -19.458 28.285 -1.473 1.00 5.49 H new ATOM 0 HA GLU A 87 -18.957 25.928 0.181 1.00 5.93 H new ATOM 0 HB2 GLU A 87 -17.465 27.498 -2.002 1.00 5.62 H new ATOM 0 HB3 GLU A 87 -16.887 25.971 -1.366 1.00 5.62 H new ATOM 0 HG2 GLU A 87 -18.108 25.281 -3.274 1.00 5.26 H new ATOM 0 HG3 GLU A 87 -19.278 25.049 -1.991 1.00 5.26 H new ATOM 1324 N VAL A 88 -17.297 28.692 0.760 1.00 6.48 N ATOM 1325 CA VAL A 88 -16.359 29.347 1.719 1.00 7.10 C ATOM 1326 C VAL A 88 -17.131 30.218 2.735 1.00 7.37 C ATOM 1327 O VAL A 88 -16.619 30.544 3.789 1.00 7.92 O ATOM 1328 CB VAL A 88 -15.438 30.197 0.823 1.00 7.02 C ATOM 1329 CG1 VAL A 88 -16.081 31.555 0.515 1.00 6.91 C ATOM 1330 CG2 VAL A 88 -14.098 30.425 1.517 1.00 7.31 C ATOM 0 H VAL A 88 -17.728 29.326 0.088 1.00 6.48 H new ATOM 0 HA VAL A 88 -15.798 28.630 2.319 1.00 7.10 H new ATOM 0 HB VAL A 88 -15.283 29.657 -0.111 1.00 7.02 H new ATOM 0 HG11 VAL A 88 -15.413 32.138 -0.119 1.00 6.91 H new ATOM 0 HG12 VAL A 88 -17.028 31.400 -0.001 1.00 6.91 H new ATOM 0 HG13 VAL A 88 -16.259 32.093 1.446 1.00 6.91 H new ATOM 0 HG21 VAL A 88 -13.454 31.027 0.876 1.00 7.31 H new ATOM 0 HG22 VAL A 88 -14.261 30.947 2.460 1.00 7.31 H new ATOM 0 HG23 VAL A 88 -13.621 29.464 1.711 1.00 7.31 H new ATOM 1340 N HIS A 89 -18.352 30.602 2.428 1.00 7.02 N ATOM 1341 CA HIS A 89 -19.139 31.452 3.377 1.00 7.33 C ATOM 1342 C HIS A 89 -20.642 31.189 3.223 1.00 6.96 C ATOM 1343 O HIS A 89 -21.210 31.408 2.172 1.00 6.54 O ATOM 1344 CB HIS A 89 -18.810 32.894 2.980 1.00 7.49 C ATOM 1345 CG HIS A 89 -19.238 33.825 4.085 1.00 8.00 C ATOM 1346 ND1 HIS A 89 -20.569 33.976 4.458 1.00 7.96 N ATOM 1347 CD2 HIS A 89 -18.522 34.652 4.913 1.00 8.63 C ATOM 1348 CE1 HIS A 89 -20.605 34.867 5.467 1.00 8.53 C ATOM 1349 NE2 HIS A 89 -19.387 35.308 5.784 1.00 8.96 N ATOM 0 H HIS A 89 -18.834 30.362 1.562 1.00 7.02 H new ATOM 0 HA HIS A 89 -18.888 31.240 4.416 1.00 7.33 H new ATOM 0 HB2 HIS A 89 -17.741 32.998 2.795 1.00 7.49 H new ATOM 0 HB3 HIS A 89 -19.320 33.153 2.052 1.00 7.49 H new ATOM 0 HD1 HIS A 89 -21.370 33.500 4.044 1.00 7.96 H new ATOM 0 HD2 HIS A 89 -17.449 34.775 4.892 1.00 8.63 H new ATOM 0 HE1 HIS A 89 -21.511 35.186 5.960 1.00 8.53 H new ATOM 1357 N GLY A 90 -21.291 30.741 4.268 1.00 7.17 N ATOM 1358 CA GLY A 90 -22.763 30.477 4.188 1.00 6.90 C ATOM 1359 C GLY A 90 -23.545 31.766 4.477 1.00 6.95 C ATOM 1360 O GLY A 90 -24.624 31.660 5.034 1.00 7.28 O ATOM 1361 OXT GLY A 90 -23.055 32.834 4.135 1.00 6.87 O ATOM 0 H GLY A 90 -20.866 30.546 5.175 1.00 7.17 H new ATOM 0 HA2 GLY A 90 -23.020 30.101 3.198 1.00 6.90 H new ATOM 0 HA3 GLY A 90 -23.042 29.705 4.905 1.00 6.90 H new TER 1365 GLY A 90