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 77 LYS NZ :NH3+ -172:sc= 0.513! (180deg=-0.0871) USER MOD Set 1.2: A 82 THR OG1 : rot 65:sc= 0.514 USER MOD Set 2.1: A 66 GLN : amide:sc= -1.06! C(o=-0.55!,f=-17!) USER MOD Set 2.2: A 70 LYS NZ :NH3+ 175:sc= 0.51 (180deg=0) USER MOD Set 3.1: A 44 SER OG : rot -93:sc= 0.8 USER MOD Set 3.2: A 45 GLN : amide:sc= 0.713 K(o=1.5,f=0.24) USER MOD Set 4.1: A 1 GLY N :NH3+ 159:sc= 0.116! (180deg=0) USER MOD Set 4.2: A 16 THR OG1 : rot 103:sc= 0.452! USER MOD Single : A 2 SER OG : rot -92:sc= 0.04 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0.121 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HE2:sc= 0.378 K(o=0.38,f=-2.2!) USER MOD Single : A 9 SER OG : rot 68:sc= 1.27 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.268 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 180:sc= -0.283 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 1.11 K(o=1.1,f=-9.6!) USER MOD Single : A 46 SER OG : rot 27:sc= 0.727 USER MOD Single : A 51 SER OG : rot -97:sc= 0.793 USER MOD Single : A 58 THR OG1 : rot -110:sc= 0.413 USER MOD Single : A 59 LYS NZ :NH3+ -126:sc= 1.13 (180deg=-2.26!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 113:sc= 0.907 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -172:sc= 1.77 (180deg=1.04) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 89 HIS : no HE2:sc= 0.687 K(o=0.69,f=-7.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.702 -20.984 -1.674 1.00 2.42 N ATOM 2 CA GLY A 1 6.781 -20.373 -0.313 1.00 2.12 C ATOM 3 C GLY A 1 7.729 -19.170 -0.322 1.00 1.99 C ATOM 4 O GLY A 1 7.352 -18.083 -0.713 1.00 2.19 O ATOM 0 H1 GLY A 1 6.366 -21.965 -1.595 1.00 2.42 H new ATOM 0 H2 GLY A 1 6.040 -20.438 -2.262 1.00 2.42 H new ATOM 0 H3 GLY A 1 7.644 -20.975 -2.114 1.00 2.42 H new ATOM 0 HA2 GLY A 1 5.788 -20.059 0.010 1.00 2.12 H new ATOM 0 HA3 GLY A 1 7.131 -21.114 0.406 1.00 2.12 H new ATOM 10 N SER A 2 8.954 -19.348 0.114 1.00 2.39 N ATOM 11 CA SER A 2 9.926 -18.213 0.144 1.00 2.88 C ATOM 12 C SER A 2 10.959 -18.315 -0.990 1.00 2.56 C ATOM 13 O SER A 2 11.886 -17.530 -1.059 1.00 2.53 O ATOM 14 CB SER A 2 10.618 -18.333 1.502 1.00 3.75 C ATOM 15 OG SER A 2 11.047 -19.681 1.690 1.00 3.84 O ATOM 0 H SER A 2 9.322 -20.237 0.452 1.00 2.39 H new ATOM 0 HA SER A 2 9.424 -17.255 0.006 1.00 2.88 H new ATOM 0 HB2 SER A 2 11.471 -17.657 1.550 1.00 3.75 H new ATOM 0 HB3 SER A 2 9.935 -18.041 2.299 1.00 3.75 H new ATOM 0 HG SER A 2 10.349 -20.184 2.158 1.00 3.84 H new ATOM 21 N MET A 3 10.816 -19.265 -1.875 1.00 2.46 N ATOM 22 CA MET A 3 11.800 -19.391 -2.993 1.00 2.31 C ATOM 23 C MET A 3 11.169 -18.919 -4.304 1.00 2.21 C ATOM 24 O MET A 3 9.962 -18.836 -4.426 1.00 2.27 O ATOM 25 CB MET A 3 12.142 -20.881 -3.061 1.00 2.45 C ATOM 26 CG MET A 3 12.750 -21.336 -1.731 1.00 2.70 C ATOM 27 SD MET A 3 13.920 -22.681 -2.039 1.00 3.30 S ATOM 28 CE MET A 3 15.251 -22.104 -0.949 1.00 3.98 C ATOM 0 H MET A 3 10.066 -19.956 -1.874 1.00 2.46 H new ATOM 0 HA MET A 3 12.689 -18.782 -2.832 1.00 2.31 H new ATOM 0 HB2 MET A 3 11.244 -21.460 -3.278 1.00 2.45 H new ATOM 0 HB3 MET A 3 12.844 -21.065 -3.874 1.00 2.45 H new ATOM 0 HG2 MET A 3 13.256 -20.502 -1.245 1.00 2.70 H new ATOM 0 HG3 MET A 3 11.964 -21.670 -1.054 1.00 2.70 H new ATOM 0 HE1 MET A 3 16.085 -22.804 -0.992 1.00 3.98 H new ATOM 0 HE2 MET A 3 15.587 -21.119 -1.274 1.00 3.98 H new ATOM 0 HE3 MET A 3 14.882 -22.042 0.075 1.00 3.98 H new ATOM 38 N SER A 4 11.969 -18.612 -5.290 1.00 2.22 N ATOM 39 CA SER A 4 11.407 -18.140 -6.600 1.00 2.27 C ATOM 40 C SER A 4 11.092 -19.324 -7.530 1.00 2.19 C ATOM 41 O SER A 4 11.128 -19.199 -8.735 1.00 2.30 O ATOM 42 CB SER A 4 12.487 -17.254 -7.221 1.00 2.52 C ATOM 43 OG SER A 4 13.735 -17.476 -6.568 1.00 2.61 O ATOM 0 H SER A 4 12.987 -18.666 -5.250 1.00 2.22 H new ATOM 0 HA SER A 4 10.471 -17.601 -6.452 1.00 2.27 H new ATOM 0 HB2 SER A 4 12.580 -17.472 -8.285 1.00 2.52 H new ATOM 0 HB3 SER A 4 12.203 -16.205 -7.134 1.00 2.52 H new ATOM 0 HG SER A 4 14.422 -16.906 -6.973 1.00 2.61 H new ATOM 49 N ILE A 5 10.772 -20.462 -6.970 1.00 2.08 N ATOM 50 CA ILE A 5 10.435 -21.668 -7.794 1.00 2.07 C ATOM 51 C ILE A 5 9.341 -21.350 -8.814 1.00 2.05 C ATOM 52 O ILE A 5 9.408 -21.746 -9.960 1.00 2.13 O ATOM 53 CB ILE A 5 9.940 -22.694 -6.769 1.00 2.06 C ATOM 54 CG1 ILE A 5 8.793 -22.086 -5.925 1.00 1.98 C ATOM 55 CG2 ILE A 5 11.111 -23.072 -5.872 1.00 2.15 C ATOM 56 CD1 ILE A 5 8.789 -22.655 -4.504 1.00 2.03 C ATOM 0 H ILE A 5 10.729 -20.611 -5.962 1.00 2.08 H new ATOM 0 HA ILE A 5 11.287 -22.027 -8.371 1.00 2.07 H new ATOM 0 HB ILE A 5 9.558 -23.580 -7.276 1.00 2.06 H new ATOM 0 HG12 ILE A 5 8.902 -21.002 -5.885 1.00 1.98 H new ATOM 0 HG13 ILE A 5 7.836 -22.292 -6.405 1.00 1.98 H new ATOM 0 HG21 ILE A 5 10.782 -23.803 -5.133 1.00 2.15 H new ATOM 0 HG22 ILE A 5 11.909 -23.502 -6.477 1.00 2.15 H new ATOM 0 HG23 ILE A 5 11.481 -22.182 -5.363 1.00 2.15 H new ATOM 0 HD11 ILE A 5 7.973 -22.209 -3.936 1.00 2.03 H new ATOM 0 HD12 ILE A 5 8.654 -23.736 -4.545 1.00 2.03 H new ATOM 0 HD13 ILE A 5 9.737 -22.426 -4.018 1.00 2.03 H new ATOM 68 N MET A 6 8.342 -20.636 -8.385 1.00 1.99 N ATOM 69 CA MET A 6 7.209 -20.262 -9.291 1.00 2.02 C ATOM 70 C MET A 6 6.620 -21.510 -9.966 1.00 2.10 C ATOM 71 O MET A 6 6.601 -21.626 -11.178 1.00 2.30 O ATOM 72 CB MET A 6 7.823 -19.318 -10.326 1.00 2.12 C ATOM 73 CG MET A 6 7.359 -17.887 -10.057 1.00 2.21 C ATOM 74 SD MET A 6 5.579 -17.756 -10.354 1.00 2.70 S ATOM 75 CE MET A 6 5.630 -16.337 -11.475 1.00 3.14 C ATOM 0 H MET A 6 8.256 -20.287 -7.430 1.00 1.99 H new ATOM 0 HA MET A 6 6.389 -19.791 -8.749 1.00 2.02 H new ATOM 0 HB2 MET A 6 8.911 -19.372 -10.282 1.00 2.12 H new ATOM 0 HB3 MET A 6 7.529 -19.623 -11.330 1.00 2.12 H new ATOM 0 HG2 MET A 6 7.587 -17.608 -9.028 1.00 2.21 H new ATOM 0 HG3 MET A 6 7.897 -17.193 -10.702 1.00 2.21 H new ATOM 0 HE1 MET A 6 4.617 -16.083 -11.787 1.00 3.14 H new ATOM 0 HE2 MET A 6 6.077 -15.485 -10.963 1.00 3.14 H new ATOM 0 HE3 MET A 6 6.227 -16.587 -12.352 1.00 3.14 H new ATOM 85 N ASP A 7 6.134 -22.441 -9.184 1.00 2.03 N ATOM 86 CA ASP A 7 5.531 -23.692 -9.761 1.00 2.15 C ATOM 87 C ASP A 7 4.382 -23.334 -10.720 1.00 2.04 C ATOM 88 O ASP A 7 4.150 -24.011 -11.706 1.00 2.24 O ATOM 89 CB ASP A 7 5.000 -24.488 -8.555 1.00 2.08 C ATOM 90 CG ASP A 7 6.050 -24.544 -7.445 1.00 2.25 C ATOM 91 OD1 ASP A 7 6.967 -25.339 -7.558 1.00 2.85 O ATOM 92 OD2 ASP A 7 5.910 -23.793 -6.493 1.00 1.90 O ATOM 0 H ASP A 7 6.127 -22.392 -8.165 1.00 2.03 H new ATOM 0 HA ASP A 7 6.258 -24.268 -10.333 1.00 2.15 H new ATOM 0 HB2 ASP A 7 4.089 -24.024 -8.178 1.00 2.08 H new ATOM 0 HB3 ASP A 7 4.737 -25.499 -8.866 1.00 2.08 H new ATOM 97 N HIS A 8 3.671 -22.266 -10.431 1.00 1.80 N ATOM 98 CA HIS A 8 2.538 -21.822 -11.307 1.00 1.81 C ATOM 99 C HIS A 8 1.571 -22.981 -11.614 1.00 1.83 C ATOM 100 O HIS A 8 1.166 -23.184 -12.750 1.00 2.03 O ATOM 101 CB HIS A 8 3.210 -21.310 -12.586 1.00 2.16 C ATOM 102 CG HIS A 8 2.316 -20.304 -13.248 1.00 2.27 C ATOM 103 ND1 HIS A 8 1.123 -20.667 -13.848 1.00 2.36 N ATOM 104 CD2 HIS A 8 2.421 -18.946 -13.410 1.00 2.43 C ATOM 105 CE1 HIS A 8 0.561 -19.548 -14.341 1.00 2.57 C ATOM 106 NE2 HIS A 8 1.311 -18.469 -14.101 1.00 2.62 N ATOM 0 H HIS A 8 3.831 -21.676 -9.614 1.00 1.80 H new ATOM 0 HA HIS A 8 1.931 -21.056 -10.825 1.00 1.81 H new ATOM 0 HB2 HIS A 8 4.173 -20.857 -12.348 1.00 2.16 H new ATOM 0 HB3 HIS A 8 3.407 -22.140 -13.264 1.00 2.16 H new ATOM 0 HD1 HIS A 8 0.740 -21.610 -13.906 1.00 2.36 H new ATOM 0 HD2 HIS A 8 3.241 -18.339 -13.055 1.00 2.43 H new ATOM 0 HE1 HIS A 8 -0.382 -19.525 -14.867 1.00 2.57 H new ATOM 114 N SER A 9 1.183 -23.728 -10.608 1.00 1.67 N ATOM 115 CA SER A 9 0.230 -24.864 -10.828 1.00 1.71 C ATOM 116 C SER A 9 -0.131 -25.540 -9.495 1.00 1.59 C ATOM 117 O SER A 9 -1.279 -25.521 -9.098 1.00 1.50 O ATOM 118 CB SER A 9 0.951 -25.841 -11.765 1.00 1.99 C ATOM 119 OG SER A 9 0.568 -25.566 -13.108 1.00 2.16 O ATOM 0 H SER A 9 1.485 -23.600 -9.642 1.00 1.67 H new ATOM 0 HA SER A 9 -0.709 -24.520 -11.262 1.00 1.71 H new ATOM 0 HB2 SER A 9 2.031 -25.741 -11.654 1.00 1.99 H new ATOM 0 HB3 SER A 9 0.697 -26.869 -11.504 1.00 1.99 H new ATOM 0 HG SER A 9 0.927 -24.695 -13.379 1.00 2.16 H new ATOM 125 N PRO A 10 0.855 -26.115 -8.834 1.00 1.68 N ATOM 126 CA PRO A 10 0.596 -26.788 -7.533 1.00 1.70 C ATOM 127 C PRO A 10 0.347 -25.756 -6.422 1.00 1.54 C ATOM 128 O PRO A 10 0.546 -24.565 -6.599 1.00 1.40 O ATOM 129 CB PRO A 10 1.881 -27.568 -7.268 1.00 1.93 C ATOM 130 CG PRO A 10 2.940 -26.841 -8.032 1.00 1.96 C ATOM 131 CD PRO A 10 2.272 -26.201 -9.221 1.00 1.87 C ATOM 0 HA PRO A 10 -0.289 -27.424 -7.556 1.00 1.70 H new ATOM 0 HB2 PRO A 10 2.112 -27.597 -6.203 1.00 1.93 H new ATOM 0 HB3 PRO A 10 1.792 -28.601 -7.603 1.00 1.93 H new ATOM 0 HG2 PRO A 10 3.416 -26.086 -7.406 1.00 1.96 H new ATOM 0 HG3 PRO A 10 3.722 -27.528 -8.354 1.00 1.96 H new ATOM 0 HD2 PRO A 10 2.689 -25.216 -9.430 1.00 1.87 H new ATOM 0 HD3 PRO A 10 2.403 -26.800 -10.122 1.00 1.87 H new ATOM 139 N THR A 11 -0.083 -26.210 -5.269 1.00 1.63 N ATOM 140 CA THR A 11 -0.344 -25.263 -4.136 1.00 1.58 C ATOM 141 C THR A 11 0.934 -24.500 -3.755 1.00 1.58 C ATOM 142 O THR A 11 0.873 -23.365 -3.327 1.00 1.51 O ATOM 143 CB THR A 11 -0.839 -26.130 -2.970 1.00 1.79 C ATOM 144 OG1 THR A 11 -1.238 -25.286 -1.903 1.00 1.81 O ATOM 145 CG2 THR A 11 0.272 -27.062 -2.485 1.00 2.02 C ATOM 0 H THR A 11 -0.264 -27.192 -5.063 1.00 1.63 H new ATOM 0 HA THR A 11 -1.081 -24.508 -4.408 1.00 1.58 H new ATOM 0 HB THR A 11 -1.680 -26.734 -3.310 1.00 1.79 H new ATOM 0 HG1 THR A 11 -1.557 -25.833 -1.155 1.00 1.81 H new ATOM 0 HG21 THR A 11 -0.097 -27.669 -1.658 1.00 2.02 H new ATOM 0 HG22 THR A 11 0.583 -27.713 -3.302 1.00 2.02 H new ATOM 0 HG23 THR A 11 1.123 -26.470 -2.149 1.00 2.02 H new ATOM 153 N THR A 12 2.093 -25.093 -3.934 1.00 1.70 N ATOM 154 CA THR A 12 3.364 -24.374 -3.603 1.00 1.74 C ATOM 155 C THR A 12 3.474 -23.104 -4.447 1.00 1.55 C ATOM 156 O THR A 12 3.951 -22.075 -3.991 1.00 1.49 O ATOM 157 CB THR A 12 4.491 -25.352 -3.950 1.00 1.92 C ATOM 158 OG1 THR A 12 4.171 -26.047 -5.147 1.00 2.12 O ATOM 159 CG2 THR A 12 4.670 -26.355 -2.814 1.00 2.12 C ATOM 0 H THR A 12 2.212 -26.040 -4.294 1.00 1.70 H new ATOM 0 HA THR A 12 3.407 -24.073 -2.556 1.00 1.74 H new ATOM 0 HB THR A 12 5.417 -24.794 -4.091 1.00 1.92 H new ATOM 0 HG1 THR A 12 4.895 -26.670 -5.367 1.00 2.12 H new ATOM 0 HG21 THR A 12 5.472 -27.049 -3.064 1.00 2.12 H new ATOM 0 HG22 THR A 12 4.923 -25.824 -1.896 1.00 2.12 H new ATOM 0 HG23 THR A 12 3.743 -26.910 -2.669 1.00 2.12 H new ATOM 167 N GLY A 13 3.011 -23.164 -5.666 1.00 1.51 N ATOM 168 CA GLY A 13 3.054 -21.965 -6.554 1.00 1.38 C ATOM 169 C GLY A 13 1.988 -20.976 -6.094 1.00 1.21 C ATOM 170 O GLY A 13 2.269 -19.815 -5.850 1.00 1.12 O ATOM 0 H GLY A 13 2.602 -23.997 -6.088 1.00 1.51 H new ATOM 0 HA2 GLY A 13 4.040 -21.502 -6.516 1.00 1.38 H new ATOM 0 HA3 GLY A 13 2.878 -22.256 -7.590 1.00 1.38 H new ATOM 174 N VAL A 14 0.767 -21.435 -5.950 1.00 1.21 N ATOM 175 CA VAL A 14 -0.333 -20.534 -5.479 1.00 1.11 C ATOM 176 C VAL A 14 0.038 -19.923 -4.119 1.00 1.09 C ATOM 177 O VAL A 14 -0.225 -18.768 -3.857 1.00 1.01 O ATOM 178 CB VAL A 14 -1.570 -21.434 -5.359 1.00 1.19 C ATOM 179 CG1 VAL A 14 -2.690 -20.685 -4.630 1.00 1.21 C ATOM 180 CG2 VAL A 14 -2.063 -21.819 -6.757 1.00 1.28 C ATOM 0 H VAL A 14 0.485 -22.397 -6.139 1.00 1.21 H new ATOM 0 HA VAL A 14 -0.511 -19.703 -6.161 1.00 1.11 H new ATOM 0 HB VAL A 14 -1.302 -22.330 -4.799 1.00 1.19 H new ATOM 0 HG11 VAL A 14 -3.565 -21.329 -4.548 1.00 1.21 H new ATOM 0 HG12 VAL A 14 -2.351 -20.405 -3.633 1.00 1.21 H new ATOM 0 HG13 VAL A 14 -2.952 -19.787 -5.190 1.00 1.21 H new ATOM 0 HG21 VAL A 14 -2.942 -22.458 -6.670 1.00 1.28 H new ATOM 0 HG22 VAL A 14 -2.324 -20.918 -7.312 1.00 1.28 H new ATOM 0 HG23 VAL A 14 -1.275 -22.355 -7.286 1.00 1.28 H new ATOM 190 N VAL A 15 0.669 -20.683 -3.260 1.00 1.20 N ATOM 191 CA VAL A 15 1.071 -20.125 -1.931 1.00 1.24 C ATOM 192 C VAL A 15 2.242 -19.155 -2.119 1.00 1.16 C ATOM 193 O VAL A 15 2.317 -18.124 -1.481 1.00 1.11 O ATOM 194 CB VAL A 15 1.469 -21.336 -1.073 1.00 1.44 C ATOM 195 CG1 VAL A 15 2.189 -20.867 0.197 1.00 1.57 C ATOM 196 CG2 VAL A 15 0.210 -22.108 -0.670 1.00 1.52 C ATOM 0 H VAL A 15 0.922 -21.658 -3.418 1.00 1.20 H new ATOM 0 HA VAL A 15 0.269 -19.564 -1.450 1.00 1.24 H new ATOM 0 HB VAL A 15 2.134 -21.977 -1.652 1.00 1.44 H new ATOM 0 HG11 VAL A 15 2.467 -21.733 0.798 1.00 1.57 H new ATOM 0 HG12 VAL A 15 3.086 -20.312 -0.077 1.00 1.57 H new ATOM 0 HG13 VAL A 15 1.526 -20.222 0.774 1.00 1.57 H new ATOM 0 HG21 VAL A 15 0.490 -22.968 -0.061 1.00 1.52 H new ATOM 0 HG22 VAL A 15 -0.449 -21.456 -0.096 1.00 1.52 H new ATOM 0 HG23 VAL A 15 -0.309 -22.451 -1.565 1.00 1.52 H new ATOM 206 N THR A 16 3.139 -19.465 -3.012 1.00 1.19 N ATOM 207 CA THR A 16 4.289 -18.541 -3.263 1.00 1.17 C ATOM 208 C THR A 16 3.769 -17.198 -3.775 1.00 1.00 C ATOM 209 O THR A 16 4.130 -16.149 -3.271 1.00 0.94 O ATOM 210 CB THR A 16 5.151 -19.224 -4.334 1.00 1.27 C ATOM 211 OG1 THR A 16 5.673 -20.438 -3.817 1.00 1.43 O ATOM 212 CG2 THR A 16 6.311 -18.311 -4.724 1.00 1.29 C ATOM 0 H THR A 16 3.130 -20.313 -3.579 1.00 1.19 H new ATOM 0 HA THR A 16 4.863 -18.348 -2.356 1.00 1.17 H new ATOM 0 HB THR A 16 4.536 -19.428 -5.210 1.00 1.27 H new ATOM 0 HG1 THR A 16 5.160 -21.193 -4.174 1.00 1.43 H new ATOM 0 HG21 THR A 16 6.920 -18.801 -5.484 1.00 1.29 H new ATOM 0 HG22 THR A 16 5.919 -17.374 -5.120 1.00 1.29 H new ATOM 0 HG23 THR A 16 6.923 -18.106 -3.846 1.00 1.29 H new ATOM 220 N VAL A 17 2.925 -17.225 -4.772 1.00 0.96 N ATOM 221 CA VAL A 17 2.386 -15.952 -5.329 1.00 0.84 C ATOM 222 C VAL A 17 1.474 -15.234 -4.322 1.00 0.76 C ATOM 223 O VAL A 17 1.571 -14.032 -4.180 1.00 0.71 O ATOM 224 CB VAL A 17 1.632 -16.310 -6.618 1.00 0.86 C ATOM 225 CG1 VAL A 17 2.616 -16.846 -7.659 1.00 0.99 C ATOM 226 CG2 VAL A 17 0.559 -17.369 -6.360 1.00 0.91 C ATOM 0 H VAL A 17 2.586 -18.074 -5.224 1.00 0.96 H new ATOM 0 HA VAL A 17 3.197 -15.256 -5.542 1.00 0.84 H new ATOM 0 HB VAL A 17 1.148 -15.405 -6.984 1.00 0.86 H new ATOM 0 HG11 VAL A 17 2.078 -17.099 -8.572 1.00 0.99 H new ATOM 0 HG12 VAL A 17 3.364 -16.085 -7.878 1.00 0.99 H new ATOM 0 HG13 VAL A 17 3.108 -17.737 -7.269 1.00 0.99 H new ATOM 0 HG21 VAL A 17 0.044 -17.600 -7.293 1.00 0.91 H new ATOM 0 HG22 VAL A 17 1.027 -18.273 -5.970 1.00 0.91 H new ATOM 0 HG23 VAL A 17 -0.159 -16.990 -5.633 1.00 0.91 H new ATOM 236 N ILE A 18 0.609 -15.922 -3.601 1.00 0.80 N ATOM 237 CA ILE A 18 -0.247 -15.189 -2.618 1.00 0.79 C ATOM 238 C ILE A 18 0.619 -14.645 -1.484 1.00 0.81 C ATOM 239 O ILE A 18 0.334 -13.608 -0.928 1.00 0.80 O ATOM 240 CB ILE A 18 -1.295 -16.183 -2.104 1.00 0.90 C ATOM 241 CG1 ILE A 18 -0.624 -17.379 -1.425 1.00 1.02 C ATOM 242 CG2 ILE A 18 -2.153 -16.674 -3.269 1.00 0.91 C ATOM 243 CD1 ILE A 18 -0.729 -17.232 0.094 1.00 1.27 C ATOM 0 H ILE A 18 0.465 -16.931 -3.651 1.00 0.80 H new ATOM 0 HA ILE A 18 -0.745 -14.335 -3.077 1.00 0.79 H new ATOM 0 HB ILE A 18 -1.922 -15.674 -1.372 1.00 0.90 H new ATOM 0 HG12 ILE A 18 -1.100 -18.306 -1.745 1.00 1.02 H new ATOM 0 HG13 ILE A 18 0.423 -17.439 -1.723 1.00 1.02 H new ATOM 0 HG21 ILE A 18 -2.897 -17.380 -2.901 1.00 0.91 H new ATOM 0 HG22 ILE A 18 -2.656 -15.826 -3.733 1.00 0.91 H new ATOM 0 HG23 ILE A 18 -1.519 -17.167 -4.006 1.00 0.91 H new ATOM 0 HD11 ILE A 18 -0.251 -18.085 0.576 1.00 1.27 H new ATOM 0 HD12 ILE A 18 -0.232 -16.313 0.406 1.00 1.27 H new ATOM 0 HD13 ILE A 18 -1.779 -17.193 0.384 1.00 1.27 H new ATOM 255 N VAL A 19 1.695 -15.315 -1.160 1.00 0.89 N ATOM 256 CA VAL A 19 2.590 -14.794 -0.085 1.00 0.95 C ATOM 257 C VAL A 19 3.279 -13.523 -0.590 1.00 0.85 C ATOM 258 O VAL A 19 3.223 -12.489 0.048 1.00 0.84 O ATOM 259 CB VAL A 19 3.606 -15.913 0.201 1.00 1.10 C ATOM 260 CG1 VAL A 19 4.830 -15.343 0.928 1.00 1.18 C ATOM 261 CG2 VAL A 19 2.957 -16.974 1.090 1.00 1.25 C ATOM 0 H VAL A 19 1.990 -16.192 -1.589 1.00 0.89 H new ATOM 0 HA VAL A 19 2.051 -14.534 0.826 1.00 0.95 H new ATOM 0 HB VAL A 19 3.918 -16.354 -0.746 1.00 1.10 H new ATOM 0 HG11 VAL A 19 5.542 -16.144 1.125 1.00 1.18 H new ATOM 0 HG12 VAL A 19 5.302 -14.583 0.305 1.00 1.18 H new ATOM 0 HG13 VAL A 19 4.517 -14.896 1.871 1.00 1.18 H new ATOM 0 HG21 VAL A 19 3.676 -17.768 1.293 1.00 1.25 H new ATOM 0 HG22 VAL A 19 2.643 -16.519 2.030 1.00 1.25 H new ATOM 0 HG23 VAL A 19 2.088 -17.393 0.582 1.00 1.25 H new ATOM 271 N ILE A 20 3.906 -13.577 -1.745 1.00 0.83 N ATOM 272 CA ILE A 20 4.562 -12.351 -2.281 1.00 0.81 C ATOM 273 C ILE A 20 3.492 -11.293 -2.562 1.00 0.70 C ATOM 274 O ILE A 20 3.692 -10.119 -2.314 1.00 0.70 O ATOM 275 CB ILE A 20 5.312 -12.770 -3.559 1.00 0.87 C ATOM 276 CG1 ILE A 20 4.339 -13.310 -4.613 1.00 0.85 C ATOM 277 CG2 ILE A 20 6.344 -13.853 -3.225 1.00 1.01 C ATOM 278 CD1 ILE A 20 5.059 -13.432 -5.957 1.00 1.00 C ATOM 0 H ILE A 20 3.988 -14.409 -2.329 1.00 0.83 H new ATOM 0 HA ILE A 20 5.267 -11.914 -1.574 1.00 0.81 H new ATOM 0 HB ILE A 20 5.814 -11.890 -3.962 1.00 0.87 H new ATOM 0 HG12 ILE A 20 3.955 -14.282 -4.305 1.00 0.85 H new ATOM 0 HG13 ILE A 20 3.481 -12.644 -4.707 1.00 0.85 H new ATOM 0 HG21 ILE A 20 6.871 -14.145 -4.133 1.00 1.01 H new ATOM 0 HG22 ILE A 20 7.058 -13.463 -2.500 1.00 1.01 H new ATOM 0 HG23 ILE A 20 5.837 -14.721 -2.804 1.00 1.01 H new ATOM 0 HD11 ILE A 20 4.367 -13.816 -6.707 1.00 1.00 H new ATOM 0 HD12 ILE A 20 5.421 -12.452 -6.266 1.00 1.00 H new ATOM 0 HD13 ILE A 20 5.902 -14.116 -5.857 1.00 1.00 H new ATOM 290 N LEU A 21 2.342 -11.704 -3.040 1.00 0.66 N ATOM 291 CA LEU A 21 1.244 -10.720 -3.292 1.00 0.64 C ATOM 292 C LEU A 21 0.797 -10.116 -1.953 1.00 0.65 C ATOM 293 O LEU A 21 0.702 -8.911 -1.811 1.00 0.68 O ATOM 294 CB LEU A 21 0.109 -11.520 -3.942 1.00 0.66 C ATOM 295 CG LEU A 21 0.288 -11.520 -5.462 1.00 0.76 C ATOM 296 CD1 LEU A 21 -0.540 -12.649 -6.075 1.00 0.81 C ATOM 297 CD2 LEU A 21 -0.187 -10.182 -6.029 1.00 1.02 C ATOM 0 H LEU A 21 2.118 -12.673 -3.265 1.00 0.66 H new ATOM 0 HA LEU A 21 1.555 -9.898 -3.937 1.00 0.64 H new ATOM 0 HB2 LEU A 21 0.109 -12.543 -3.565 1.00 0.66 H new ATOM 0 HB3 LEU A 21 -0.855 -11.084 -3.679 1.00 0.66 H new ATOM 0 HG LEU A 21 1.341 -11.668 -5.702 1.00 0.76 H new ATOM 0 HD11 LEU A 21 -0.412 -12.648 -7.157 1.00 0.81 H new ATOM 0 HD12 LEU A 21 -0.207 -13.605 -5.671 1.00 0.81 H new ATOM 0 HD13 LEU A 21 -1.593 -12.500 -5.834 1.00 0.81 H new ATOM 0 HD21 LEU A 21 -0.060 -10.180 -7.112 1.00 1.02 H new ATOM 0 HD22 LEU A 21 -1.240 -10.037 -5.787 1.00 1.02 H new ATOM 0 HD23 LEU A 21 0.400 -9.373 -5.594 1.00 1.02 H new ATOM 309 N ILE A 22 0.553 -10.944 -0.958 1.00 0.70 N ATOM 310 CA ILE A 22 0.147 -10.408 0.380 1.00 0.79 C ATOM 311 C ILE A 22 1.250 -9.483 0.898 1.00 0.77 C ATOM 312 O ILE A 22 0.987 -8.403 1.394 1.00 0.80 O ATOM 313 CB ILE A 22 -0.022 -11.638 1.287 1.00 0.92 C ATOM 314 CG1 ILE A 22 -1.389 -12.287 1.023 1.00 1.00 C ATOM 315 CG2 ILE A 22 0.063 -11.230 2.764 1.00 1.12 C ATOM 316 CD1 ILE A 22 -2.515 -11.311 1.382 1.00 1.21 C ATOM 0 H ILE A 22 0.618 -11.960 -1.017 1.00 0.70 H new ATOM 0 HA ILE A 22 -0.776 -9.829 0.343 1.00 0.79 H new ATOM 0 HB ILE A 22 0.776 -12.347 1.066 1.00 0.92 H new ATOM 0 HG12 ILE A 22 -1.467 -12.574 -0.026 1.00 1.00 H new ATOM 0 HG13 ILE A 22 -1.487 -13.199 1.612 1.00 1.00 H new ATOM 0 HG21 ILE A 22 -0.059 -12.112 3.393 1.00 1.12 H new ATOM 0 HG22 ILE A 22 1.034 -10.775 2.961 1.00 1.12 H new ATOM 0 HG23 ILE A 22 -0.726 -10.512 2.989 1.00 1.12 H new ATOM 0 HD11 ILE A 22 -3.479 -11.782 1.191 1.00 1.21 H new ATOM 0 HD12 ILE A 22 -2.444 -11.045 2.437 1.00 1.21 H new ATOM 0 HD13 ILE A 22 -2.424 -10.411 0.774 1.00 1.21 H new ATOM 328 N ALA A 23 2.482 -9.895 0.757 1.00 0.78 N ATOM 329 CA ALA A 23 3.620 -9.039 1.210 1.00 0.81 C ATOM 330 C ALA A 23 3.616 -7.726 0.418 1.00 0.74 C ATOM 331 O ALA A 23 3.717 -6.653 0.982 1.00 0.76 O ATOM 332 CB ALA A 23 4.879 -9.859 0.918 1.00 0.90 C ATOM 0 H ALA A 23 2.751 -10.789 0.347 1.00 0.78 H new ATOM 0 HA ALA A 23 3.559 -8.775 2.266 1.00 0.81 H new ATOM 0 HB1 ALA A 23 5.760 -9.295 1.224 1.00 0.90 H new ATOM 0 HB2 ALA A 23 4.838 -10.797 1.471 1.00 0.90 H new ATOM 0 HB3 ALA A 23 4.936 -10.070 -0.150 1.00 0.90 H new ATOM 338 N ILE A 24 3.467 -7.801 -0.887 1.00 0.70 N ATOM 339 CA ILE A 24 3.419 -6.551 -1.708 1.00 0.72 C ATOM 340 C ILE A 24 2.237 -5.694 -1.239 1.00 0.71 C ATOM 341 O ILE A 24 2.366 -4.501 -1.033 1.00 0.75 O ATOM 342 CB ILE A 24 3.222 -7.021 -3.158 1.00 0.77 C ATOM 343 CG1 ILE A 24 4.563 -7.497 -3.733 1.00 0.91 C ATOM 344 CG2 ILE A 24 2.687 -5.868 -4.017 1.00 0.91 C ATOM 345 CD1 ILE A 24 5.576 -6.346 -3.727 1.00 1.14 C ATOM 0 H ILE A 24 3.377 -8.670 -1.414 1.00 0.70 H new ATOM 0 HA ILE A 24 4.321 -5.945 -1.616 1.00 0.72 H new ATOM 0 HB ILE A 24 2.505 -7.842 -3.168 1.00 0.77 H new ATOM 0 HG12 ILE A 24 4.945 -8.331 -3.144 1.00 0.91 H new ATOM 0 HG13 ILE A 24 4.422 -7.863 -4.750 1.00 0.91 H new ATOM 0 HG21 ILE A 24 2.551 -6.211 -5.043 1.00 0.91 H new ATOM 0 HG22 ILE A 24 1.731 -5.530 -3.617 1.00 0.91 H new ATOM 0 HG23 ILE A 24 3.399 -5.043 -4.002 1.00 0.91 H new ATOM 0 HD11 ILE A 24 6.524 -6.694 -4.137 1.00 1.14 H new ATOM 0 HD12 ILE A 24 5.197 -5.525 -4.335 1.00 1.14 H new ATOM 0 HD13 ILE A 24 5.728 -6.000 -2.705 1.00 1.14 H new ATOM 357 N ALA A 25 1.092 -6.305 -1.045 1.00 0.72 N ATOM 358 CA ALA A 25 -0.097 -5.539 -0.561 1.00 0.80 C ATOM 359 C ALA A 25 0.201 -4.945 0.818 1.00 0.81 C ATOM 360 O ALA A 25 -0.055 -3.783 1.072 1.00 0.88 O ATOM 361 CB ALA A 25 -1.232 -6.566 -0.489 1.00 0.86 C ATOM 0 H ALA A 25 0.931 -7.300 -1.201 1.00 0.72 H new ATOM 0 HA ALA A 25 -0.358 -4.707 -1.215 1.00 0.80 H new ATOM 0 HB1 ALA A 25 -2.142 -6.078 -0.140 1.00 0.86 H new ATOM 0 HB2 ALA A 25 -1.403 -6.989 -1.479 1.00 0.86 H new ATOM 0 HB3 ALA A 25 -0.959 -7.362 0.204 1.00 0.86 H new ATOM 367 N ALA A 26 0.768 -5.729 1.697 1.00 0.80 N ATOM 368 CA ALA A 26 1.117 -5.209 3.053 1.00 0.87 C ATOM 369 C ALA A 26 2.113 -4.054 2.907 1.00 0.84 C ATOM 370 O ALA A 26 1.961 -3.012 3.516 1.00 0.88 O ATOM 371 CB ALA A 26 1.747 -6.394 3.791 1.00 0.96 C ATOM 0 H ALA A 26 1.005 -6.708 1.535 1.00 0.80 H new ATOM 0 HA ALA A 26 0.254 -4.825 3.597 1.00 0.87 H new ATOM 0 HB1 ALA A 26 2.030 -6.087 4.798 1.00 0.96 H new ATOM 0 HB2 ALA A 26 1.027 -7.211 3.849 1.00 0.96 H new ATOM 0 HB3 ALA A 26 2.633 -6.729 3.252 1.00 0.96 H new ATOM 377 N LEU A 27 3.113 -4.221 2.073 1.00 0.82 N ATOM 378 CA LEU A 27 4.095 -3.123 1.853 1.00 0.88 C ATOM 379 C LEU A 27 3.361 -1.910 1.266 1.00 0.88 C ATOM 380 O LEU A 27 3.533 -0.793 1.718 1.00 0.95 O ATOM 381 CB LEU A 27 5.111 -3.690 0.853 1.00 0.94 C ATOM 382 CG LEU A 27 6.035 -2.571 0.363 1.00 1.09 C ATOM 383 CD1 LEU A 27 7.468 -3.092 0.271 1.00 1.28 C ATOM 384 CD2 LEU A 27 5.579 -2.096 -1.018 1.00 1.19 C ATOM 0 H LEU A 27 3.287 -5.072 1.538 1.00 0.82 H new ATOM 0 HA LEU A 27 4.586 -2.796 2.769 1.00 0.88 H new ATOM 0 HB2 LEU A 27 5.698 -4.479 1.324 1.00 0.94 H new ATOM 0 HB3 LEU A 27 4.591 -4.141 0.008 1.00 0.94 H new ATOM 0 HG LEU A 27 5.995 -1.739 1.066 1.00 1.09 H new ATOM 0 HD11 LEU A 27 8.124 -2.294 -0.078 1.00 1.28 H new ATOM 0 HD12 LEU A 27 7.797 -3.428 1.254 1.00 1.28 H new ATOM 0 HD13 LEU A 27 7.508 -3.926 -0.429 1.00 1.28 H new ATOM 0 HD21 LEU A 27 6.238 -1.300 -1.365 1.00 1.19 H new ATOM 0 HD22 LEU A 27 5.616 -2.929 -1.720 1.00 1.19 H new ATOM 0 HD23 LEU A 27 4.558 -1.720 -0.955 1.00 1.19 H new ATOM 396 N GLY A 28 2.519 -2.132 0.280 1.00 0.88 N ATOM 397 CA GLY A 28 1.745 -1.007 -0.323 1.00 0.98 C ATOM 398 C GLY A 28 0.917 -0.338 0.774 1.00 1.00 C ATOM 399 O GLY A 28 0.872 0.874 0.877 1.00 1.11 O ATOM 0 H GLY A 28 2.338 -3.048 -0.131 1.00 0.88 H new ATOM 0 HA2 GLY A 28 2.422 -0.285 -0.779 1.00 0.98 H new ATOM 0 HA3 GLY A 28 1.094 -1.378 -1.115 1.00 0.98 H new ATOM 403 N ALA A 29 0.279 -1.121 1.614 1.00 0.96 N ATOM 404 CA ALA A 29 -0.529 -0.529 2.725 1.00 1.05 C ATOM 405 C ALA A 29 0.392 0.226 3.686 1.00 1.04 C ATOM 406 O ALA A 29 0.121 1.352 4.066 1.00 1.13 O ATOM 407 CB ALA A 29 -1.197 -1.718 3.423 1.00 1.08 C ATOM 0 H ALA A 29 0.284 -2.140 1.577 1.00 0.96 H new ATOM 0 HA ALA A 29 -1.271 0.184 2.367 1.00 1.05 H new ATOM 0 HB1 ALA A 29 -1.807 -1.358 4.251 1.00 1.08 H new ATOM 0 HB2 ALA A 29 -1.828 -2.250 2.711 1.00 1.08 H new ATOM 0 HB3 ALA A 29 -0.431 -2.393 3.804 1.00 1.08 H new ATOM 413 N LEU A 30 1.490 -0.380 4.056 1.00 0.98 N ATOM 414 CA LEU A 30 2.462 0.296 4.971 1.00 1.03 C ATOM 415 C LEU A 30 2.901 1.626 4.346 1.00 1.07 C ATOM 416 O LEU A 30 3.000 2.637 5.015 1.00 1.14 O ATOM 417 CB LEU A 30 3.644 -0.675 5.091 1.00 1.04 C ATOM 418 CG LEU A 30 3.405 -1.638 6.258 1.00 1.17 C ATOM 419 CD1 LEU A 30 4.233 -2.908 6.051 1.00 1.24 C ATOM 420 CD2 LEU A 30 3.828 -0.967 7.565 1.00 1.46 C ATOM 0 H LEU A 30 1.758 -1.319 3.763 1.00 0.98 H new ATOM 0 HA LEU A 30 2.039 0.522 5.950 1.00 1.03 H new ATOM 0 HB2 LEU A 30 3.763 -1.235 4.163 1.00 1.04 H new ATOM 0 HB3 LEU A 30 4.569 -0.120 5.249 1.00 1.04 H new ATOM 0 HG LEU A 30 2.347 -1.896 6.304 1.00 1.17 H new ATOM 0 HD11 LEU A 30 4.063 -3.593 6.882 1.00 1.24 H new ATOM 0 HD12 LEU A 30 3.936 -3.388 5.118 1.00 1.24 H new ATOM 0 HD13 LEU A 30 5.291 -2.649 6.005 1.00 1.24 H new ATOM 0 HD21 LEU A 30 3.659 -1.651 8.397 1.00 1.46 H new ATOM 0 HD22 LEU A 30 4.886 -0.710 7.516 1.00 1.46 H new ATOM 0 HD23 LEU A 30 3.241 -0.061 7.715 1.00 1.46 H new ATOM 432 N ILE A 31 3.139 1.631 3.056 1.00 1.07 N ATOM 433 CA ILE A 31 3.547 2.895 2.365 1.00 1.20 C ATOM 434 C ILE A 31 2.354 3.860 2.314 1.00 1.25 C ATOM 435 O ILE A 31 2.485 5.039 2.600 1.00 1.37 O ATOM 436 CB ILE A 31 3.969 2.460 0.954 1.00 1.26 C ATOM 437 CG1 ILE A 31 5.280 1.665 1.030 1.00 1.28 C ATOM 438 CG2 ILE A 31 4.171 3.689 0.060 1.00 1.45 C ATOM 439 CD1 ILE A 31 6.406 2.558 1.560 1.00 1.46 C ATOM 0 H ILE A 31 3.068 0.813 2.451 1.00 1.07 H new ATOM 0 HA ILE A 31 4.356 3.416 2.877 1.00 1.20 H new ATOM 0 HB ILE A 31 3.184 1.834 0.529 1.00 1.26 H new ATOM 0 HG12 ILE A 31 5.153 0.801 1.682 1.00 1.28 H new ATOM 0 HG13 ILE A 31 5.541 1.284 0.043 1.00 1.28 H new ATOM 0 HG21 ILE A 31 4.470 3.368 -0.938 1.00 1.45 H new ATOM 0 HG22 ILE A 31 3.239 4.250 -0.004 1.00 1.45 H new ATOM 0 HG23 ILE A 31 4.948 4.324 0.485 1.00 1.45 H new ATOM 0 HD11 ILE A 31 7.332 1.985 1.610 1.00 1.46 H new ATOM 0 HD12 ILE A 31 6.541 3.408 0.891 1.00 1.46 H new ATOM 0 HD13 ILE A 31 6.147 2.917 2.556 1.00 1.46 H new ATOM 451 N LEU A 32 1.188 3.363 1.966 1.00 1.22 N ATOM 452 CA LEU A 32 -0.022 4.240 1.910 1.00 1.33 C ATOM 453 C LEU A 32 -0.264 4.885 3.283 1.00 1.36 C ATOM 454 O LEU A 32 -0.460 6.079 3.388 1.00 1.49 O ATOM 455 CB LEU A 32 -1.182 3.308 1.541 1.00 1.32 C ATOM 456 CG LEU A 32 -2.079 3.990 0.505 1.00 1.77 C ATOM 457 CD1 LEU A 32 -1.854 3.356 -0.868 1.00 1.79 C ATOM 458 CD2 LEU A 32 -3.544 3.814 0.904 1.00 2.28 C ATOM 0 H LEU A 32 1.025 2.387 1.719 1.00 1.22 H new ATOM 0 HA LEU A 32 0.088 5.049 1.188 1.00 1.33 H new ATOM 0 HB2 LEU A 32 -0.796 2.370 1.141 1.00 1.32 H new ATOM 0 HB3 LEU A 32 -1.760 3.061 2.431 1.00 1.32 H new ATOM 0 HG LEU A 32 -1.834 5.051 0.462 1.00 1.77 H new ATOM 0 HD11 LEU A 32 -2.494 3.844 -1.603 1.00 1.79 H new ATOM 0 HD12 LEU A 32 -0.810 3.477 -1.158 1.00 1.79 H new ATOM 0 HD13 LEU A 32 -2.097 2.294 -0.823 1.00 1.79 H new ATOM 0 HD21 LEU A 32 -4.183 4.300 0.166 1.00 2.28 H new ATOM 0 HD22 LEU A 32 -3.784 2.752 0.949 1.00 2.28 H new ATOM 0 HD23 LEU A 32 -3.711 4.265 1.882 1.00 2.28 H new ATOM 470 N GLY A 33 -0.240 4.096 4.334 1.00 1.28 N ATOM 471 CA GLY A 33 -0.462 4.649 5.709 1.00 1.35 C ATOM 472 C GLY A 33 0.710 5.549 6.121 1.00 1.38 C ATOM 473 O GLY A 33 0.513 6.595 6.709 1.00 1.50 O ATOM 0 H GLY A 33 -0.076 3.090 4.297 1.00 1.28 H new ATOM 0 HA2 GLY A 33 -1.391 5.218 5.733 1.00 1.35 H new ATOM 0 HA3 GLY A 33 -0.570 3.832 6.423 1.00 1.35 H new ATOM 477 N CYS A 34 1.924 5.148 5.828 1.00 1.33 N ATOM 478 CA CYS A 34 3.106 5.984 6.212 1.00 1.42 C ATOM 479 C CYS A 34 3.092 7.331 5.472 1.00 1.54 C ATOM 480 O CYS A 34 3.390 8.359 6.049 1.00 1.64 O ATOM 481 CB CYS A 34 4.332 5.162 5.809 1.00 1.42 C ATOM 482 SG CYS A 34 5.796 5.830 6.636 1.00 1.95 S ATOM 0 H CYS A 34 2.147 4.280 5.341 1.00 1.33 H new ATOM 0 HA CYS A 34 3.103 6.217 7.277 1.00 1.42 H new ATOM 0 HB2 CYS A 34 4.190 4.117 6.084 1.00 1.42 H new ATOM 0 HB3 CYS A 34 4.465 5.192 4.728 1.00 1.42 H new ATOM 0 HG CYS A 34 6.841 5.134 6.299 1.00 1.95 H new ATOM 488 N TRP A 35 2.754 7.339 4.202 1.00 1.57 N ATOM 489 CA TRP A 35 2.734 8.636 3.448 1.00 1.73 C ATOM 490 C TRP A 35 1.391 9.368 3.654 1.00 1.78 C ATOM 491 O TRP A 35 1.347 10.581 3.715 1.00 1.94 O ATOM 492 CB TRP A 35 2.989 8.249 1.975 1.00 1.77 C ATOM 493 CG TRP A 35 1.779 8.480 1.119 1.00 1.80 C ATOM 494 CD1 TRP A 35 0.865 7.537 0.809 1.00 1.79 C ATOM 495 CD2 TRP A 35 1.345 9.704 0.456 1.00 2.05 C ATOM 496 NE1 TRP A 35 -0.104 8.100 -0.001 1.00 2.00 N ATOM 497 CE2 TRP A 35 0.145 9.435 -0.243 1.00 2.16 C ATOM 498 CE3 TRP A 35 1.866 11.008 0.400 1.00 2.31 C ATOM 499 CZ2 TRP A 35 -0.509 10.421 -0.982 1.00 2.49 C ATOM 500 CZ3 TRP A 35 1.208 12.005 -0.341 1.00 2.64 C ATOM 501 CH2 TRP A 35 0.023 11.712 -1.028 1.00 2.71 C ATOM 0 H TRP A 35 2.494 6.515 3.661 1.00 1.57 H new ATOM 0 HA TRP A 35 3.492 9.338 3.796 1.00 1.73 H new ATOM 0 HB2 TRP A 35 3.825 8.830 1.586 1.00 1.77 H new ATOM 0 HB3 TRP A 35 3.278 7.199 1.920 1.00 1.77 H new ATOM 0 HD1 TRP A 35 0.887 6.509 1.140 1.00 1.79 H new ATOM 0 HE1 TRP A 35 -0.905 7.590 -0.374 1.00 2.00 H new ATOM 0 HE3 TRP A 35 2.777 11.245 0.929 1.00 2.31 H new ATOM 0 HZ2 TRP A 35 -1.419 10.188 -1.514 1.00 2.49 H new ATOM 0 HZ3 TRP A 35 1.619 13.003 -0.381 1.00 2.64 H new ATOM 0 HH2 TRP A 35 -0.479 12.484 -1.593 1.00 2.71 H new ATOM 512 N CYS A 36 0.304 8.646 3.776 1.00 1.71 N ATOM 513 CA CYS A 36 -1.015 9.315 3.990 1.00 1.82 C ATOM 514 C CYS A 36 -1.722 8.704 5.208 1.00 1.73 C ATOM 515 O CYS A 36 -2.296 7.635 5.135 1.00 1.67 O ATOM 516 CB CYS A 36 -1.808 9.056 2.706 1.00 1.92 C ATOM 517 SG CYS A 36 -3.002 10.392 2.455 1.00 2.25 S ATOM 0 H CYS A 36 0.274 7.627 3.737 1.00 1.71 H new ATOM 0 HA CYS A 36 -0.914 10.382 4.188 1.00 1.82 H new ATOM 0 HB2 CYS A 36 -1.131 8.994 1.854 1.00 1.92 H new ATOM 0 HB3 CYS A 36 -2.325 8.099 2.772 1.00 1.92 H new ATOM 0 HG CYS A 36 -3.674 10.174 1.364 1.00 2.25 H new ATOM 523 N TYR A 37 -1.682 9.381 6.331 1.00 1.82 N ATOM 524 CA TYR A 37 -2.347 8.843 7.564 1.00 1.82 C ATOM 525 C TYR A 37 -3.815 8.481 7.280 1.00 1.82 C ATOM 526 O TYR A 37 -4.299 7.441 7.693 1.00 1.81 O ATOM 527 CB TYR A 37 -2.247 9.972 8.597 1.00 2.04 C ATOM 528 CG TYR A 37 -1.877 9.391 9.941 1.00 2.45 C ATOM 529 CD1 TYR A 37 -0.850 8.444 10.046 1.00 2.26 C ATOM 530 CD2 TYR A 37 -2.564 9.801 11.086 1.00 3.50 C ATOM 531 CE1 TYR A 37 -0.518 7.907 11.297 1.00 2.80 C ATOM 532 CE2 TYR A 37 -2.233 9.264 12.334 1.00 4.01 C ATOM 533 CZ TYR A 37 -1.208 8.316 12.440 1.00 3.55 C ATOM 534 OH TYR A 37 -0.886 7.784 13.674 1.00 4.17 O ATOM 0 H TYR A 37 -1.219 10.282 6.449 1.00 1.82 H new ATOM 0 HA TYR A 37 -1.872 7.928 7.918 1.00 1.82 H new ATOM 0 HB2 TYR A 37 -1.498 10.700 8.285 1.00 2.04 H new ATOM 0 HB3 TYR A 37 -3.197 10.501 8.667 1.00 2.04 H new ATOM 0 HD1 TYR A 37 -0.314 8.128 9.163 1.00 2.26 H new ATOM 0 HD2 TYR A 37 -3.353 10.535 11.007 1.00 3.50 H new ATOM 0 HE1 TYR A 37 0.273 7.176 11.377 1.00 2.80 H new ATOM 0 HE2 TYR A 37 -2.768 9.581 13.217 1.00 4.01 H new ATOM 0 HH TYR A 37 -1.463 8.179 14.361 1.00 4.17 H new ATOM 544 N LEU A 38 -4.528 9.320 6.565 1.00 1.93 N ATOM 545 CA LEU A 38 -5.962 9.005 6.252 1.00 2.03 C ATOM 546 C LEU A 38 -6.066 7.908 5.174 1.00 1.97 C ATOM 547 O LEU A 38 -7.134 7.374 4.943 1.00 2.06 O ATOM 548 CB LEU A 38 -6.584 10.326 5.762 1.00 2.25 C ATOM 549 CG LEU A 38 -5.934 10.783 4.452 1.00 2.29 C ATOM 550 CD1 LEU A 38 -7.018 11.002 3.397 1.00 2.49 C ATOM 551 CD2 LEU A 38 -5.191 12.099 4.684 1.00 2.47 C ATOM 0 H LEU A 38 -4.184 10.203 6.187 1.00 1.93 H new ATOM 0 HA LEU A 38 -6.485 8.620 7.127 1.00 2.03 H new ATOM 0 HB2 LEU A 38 -7.656 10.195 5.615 1.00 2.25 H new ATOM 0 HB3 LEU A 38 -6.458 11.096 6.523 1.00 2.25 H new ATOM 0 HG LEU A 38 -5.234 10.020 4.110 1.00 2.29 H new ATOM 0 HD11 LEU A 38 -6.557 11.327 2.464 1.00 2.49 H new ATOM 0 HD12 LEU A 38 -7.557 10.069 3.230 1.00 2.49 H new ATOM 0 HD13 LEU A 38 -7.714 11.766 3.744 1.00 2.49 H new ATOM 0 HD21 LEU A 38 -4.728 12.425 3.752 1.00 2.47 H new ATOM 0 HD22 LEU A 38 -5.894 12.859 5.025 1.00 2.47 H new ATOM 0 HD23 LEU A 38 -4.420 11.953 5.440 1.00 2.47 H new ATOM 563 N ARG A 39 -4.966 7.561 4.533 1.00 1.88 N ATOM 564 CA ARG A 39 -4.976 6.490 3.481 1.00 1.90 C ATOM 565 C ARG A 39 -6.185 6.640 2.545 1.00 2.00 C ATOM 566 O ARG A 39 -6.817 5.670 2.172 1.00 2.07 O ATOM 567 CB ARG A 39 -5.045 5.180 4.267 1.00 1.91 C ATOM 568 CG ARG A 39 -3.704 4.927 4.964 1.00 1.90 C ATOM 569 CD ARG A 39 -3.795 3.650 5.803 1.00 1.97 C ATOM 570 NE ARG A 39 -4.266 4.106 7.145 1.00 1.97 N ATOM 571 CZ ARG A 39 -5.520 4.383 7.342 1.00 1.96 C ATOM 572 NH1 ARG A 39 -6.397 3.435 7.353 1.00 2.08 N ATOM 573 NH2 ARG A 39 -5.896 5.603 7.541 1.00 1.90 N ATOM 0 H ARG A 39 -4.052 7.982 4.699 1.00 1.88 H new ATOM 0 HA ARG A 39 -4.098 6.538 2.837 1.00 1.90 H new ATOM 0 HB2 ARG A 39 -5.846 5.229 5.005 1.00 1.91 H new ATOM 0 HB3 ARG A 39 -5.279 4.354 3.596 1.00 1.91 H new ATOM 0 HG2 ARG A 39 -2.910 4.832 4.223 1.00 1.90 H new ATOM 0 HG3 ARG A 39 -3.447 5.774 5.600 1.00 1.90 H new ATOM 0 HD2 ARG A 39 -4.490 2.936 5.362 1.00 1.97 H new ATOM 0 HD3 ARG A 39 -2.828 3.152 5.872 1.00 1.97 H new ATOM 0 HE ARG A 39 -3.599 4.200 7.911 1.00 1.97 H new ATOM 0 HH11 ARG A 39 -6.105 2.469 7.207 1.00 2.08 H new ATOM 0 HH12 ARG A 39 -7.381 3.653 7.508 1.00 2.08 H new ATOM 0 HH21 ARG A 39 -5.207 6.355 7.544 1.00 1.90 H new ATOM 0 HH22 ARG A 39 -6.882 5.814 7.695 1.00 1.90 H new ATOM 587 N LEU A 40 -6.505 7.859 2.168 1.00 2.06 N ATOM 588 CA LEU A 40 -7.672 8.111 1.262 1.00 2.21 C ATOM 589 C LEU A 40 -8.908 7.332 1.731 1.00 2.28 C ATOM 590 O LEU A 40 -9.582 6.688 0.949 1.00 2.47 O ATOM 591 CB LEU A 40 -7.218 7.631 -0.116 1.00 2.26 C ATOM 592 CG LEU A 40 -6.816 8.833 -0.968 1.00 2.36 C ATOM 593 CD1 LEU A 40 -5.323 8.757 -1.276 1.00 2.42 C ATOM 594 CD2 LEU A 40 -7.601 8.807 -2.273 1.00 2.73 C ATOM 0 H LEU A 40 -6.000 8.698 2.454 1.00 2.06 H new ATOM 0 HA LEU A 40 -7.959 9.162 1.253 1.00 2.21 H new ATOM 0 HB2 LEU A 40 -6.376 6.946 -0.015 1.00 2.26 H new ATOM 0 HB3 LEU A 40 -8.022 7.079 -0.603 1.00 2.26 H new ATOM 0 HG LEU A 40 -7.031 9.755 -0.428 1.00 2.36 H new ATOM 0 HD11 LEU A 40 -5.033 9.614 -1.884 1.00 2.42 H new ATOM 0 HD12 LEU A 40 -4.758 8.766 -0.344 1.00 2.42 H new ATOM 0 HD13 LEU A 40 -5.110 7.837 -1.820 1.00 2.42 H new ATOM 0 HD21 LEU A 40 -7.318 9.663 -2.885 1.00 2.73 H new ATOM 0 HD22 LEU A 40 -7.380 7.886 -2.812 1.00 2.73 H new ATOM 0 HD23 LEU A 40 -8.668 8.853 -2.057 1.00 2.73 H new ATOM 606 N GLN A 41 -9.213 7.382 3.002 1.00 2.20 N ATOM 607 CA GLN A 41 -10.404 6.631 3.515 1.00 2.31 C ATOM 608 C GLN A 41 -11.731 7.240 3.021 1.00 2.46 C ATOM 609 O GLN A 41 -12.792 6.720 3.309 1.00 2.38 O ATOM 610 CB GLN A 41 -10.299 6.703 5.041 1.00 2.34 C ATOM 611 CG GLN A 41 -9.795 5.355 5.569 1.00 2.21 C ATOM 612 CD GLN A 41 -9.572 5.434 7.079 1.00 2.31 C ATOM 613 OE1 GLN A 41 -8.458 5.296 7.548 1.00 2.24 O ATOM 614 NE2 GLN A 41 -10.586 5.650 7.867 1.00 2.70 N ATOM 0 H GLN A 41 -8.694 7.907 3.706 1.00 2.20 H new ATOM 0 HA GLN A 41 -10.407 5.603 3.151 1.00 2.31 H new ATOM 0 HB2 GLN A 41 -9.617 7.501 5.335 1.00 2.34 H new ATOM 0 HB3 GLN A 41 -11.271 6.938 5.475 1.00 2.34 H new ATOM 0 HG2 GLN A 41 -10.519 4.572 5.341 1.00 2.21 H new ATOM 0 HG3 GLN A 41 -8.865 5.085 5.070 1.00 2.21 H new ATOM 0 HE21 GLN A 41 -11.521 5.766 7.475 1.00 2.70 H new ATOM 0 HE22 GLN A 41 -10.446 5.703 8.876 1.00 2.70 H new ATOM 623 N ARG A 42 -11.695 8.309 2.261 1.00 2.78 N ATOM 624 CA ARG A 42 -12.969 8.897 1.744 1.00 2.98 C ATOM 625 C ARG A 42 -13.422 8.092 0.524 1.00 3.00 C ATOM 626 O ARG A 42 -14.489 7.502 0.512 1.00 3.24 O ATOM 627 CB ARG A 42 -12.629 10.352 1.378 1.00 3.02 C ATOM 628 CG ARG A 42 -13.617 10.878 0.331 1.00 3.16 C ATOM 629 CD ARG A 42 -15.008 11.029 0.960 1.00 3.47 C ATOM 630 NE ARG A 42 -15.904 10.178 0.119 1.00 3.64 N ATOM 631 CZ ARG A 42 -16.887 9.529 0.662 1.00 3.81 C ATOM 632 NH1 ARG A 42 -17.980 10.154 0.961 1.00 4.11 N ATOM 633 NH2 ARG A 42 -16.768 8.263 0.905 1.00 3.75 N ATOM 0 H ARG A 42 -10.844 8.796 1.979 1.00 2.78 H new ATOM 0 HA ARG A 42 -13.784 8.869 2.467 1.00 2.98 H new ATOM 0 HB2 ARG A 42 -12.666 10.977 2.270 1.00 3.02 H new ATOM 0 HB3 ARG A 42 -11.612 10.409 0.990 1.00 3.02 H new ATOM 0 HG2 ARG A 42 -13.276 11.839 -0.054 1.00 3.16 H new ATOM 0 HG3 ARG A 42 -13.663 10.193 -0.516 1.00 3.16 H new ATOM 0 HD2 ARG A 42 -15.010 10.699 1.999 1.00 3.47 H new ATOM 0 HD3 ARG A 42 -15.333 12.069 0.956 1.00 3.47 H new ATOM 0 HE ARG A 42 -15.742 10.107 -0.886 1.00 3.64 H new ATOM 0 HH11 ARG A 42 -18.065 11.152 0.769 1.00 4.11 H new ATOM 0 HH12 ARG A 42 -18.756 9.648 1.388 1.00 4.11 H new ATOM 0 HH21 ARG A 42 -15.902 7.778 0.670 1.00 3.75 H new ATOM 0 HH22 ARG A 42 -17.540 7.751 1.332 1.00 3.75 H new ATOM 647 N ILE A 43 -12.610 8.049 -0.490 1.00 2.78 N ATOM 648 CA ILE A 43 -12.958 7.266 -1.710 1.00 2.82 C ATOM 649 C ILE A 43 -12.173 5.953 -1.735 1.00 2.61 C ATOM 650 O ILE A 43 -12.679 4.922 -2.129 1.00 2.80 O ATOM 651 CB ILE A 43 -12.560 8.142 -2.907 1.00 2.74 C ATOM 652 CG1 ILE A 43 -11.122 8.662 -2.784 1.00 2.43 C ATOM 653 CG2 ILE A 43 -13.501 9.332 -3.004 1.00 3.10 C ATOM 654 CD1 ILE A 43 -10.633 9.123 -4.161 1.00 2.45 C ATOM 0 H ILE A 43 -11.710 8.527 -0.529 1.00 2.78 H new ATOM 0 HA ILE A 43 -14.019 7.016 -1.734 1.00 2.82 H new ATOM 0 HB ILE A 43 -12.627 7.522 -3.801 1.00 2.74 H new ATOM 0 HG12 ILE A 43 -11.081 9.489 -2.075 1.00 2.43 H new ATOM 0 HG13 ILE A 43 -10.471 7.878 -2.397 1.00 2.43 H new ATOM 0 HG21 ILE A 43 -13.217 9.952 -3.854 1.00 3.10 H new ATOM 0 HG22 ILE A 43 -14.523 8.978 -3.139 1.00 3.10 H new ATOM 0 HG23 ILE A 43 -13.439 9.920 -2.089 1.00 3.10 H new ATOM 0 HD11 ILE A 43 -9.611 9.494 -4.079 1.00 2.45 H new ATOM 0 HD12 ILE A 43 -10.660 8.284 -4.856 1.00 2.45 H new ATOM 0 HD13 ILE A 43 -11.279 9.920 -4.529 1.00 2.45 H new ATOM 666 N SER A 44 -10.934 6.005 -1.315 1.00 2.31 N ATOM 667 CA SER A 44 -10.053 4.780 -1.302 1.00 2.22 C ATOM 668 C SER A 44 -9.854 4.229 -2.730 1.00 2.24 C ATOM 669 O SER A 44 -8.814 4.423 -3.332 1.00 2.56 O ATOM 670 CB SER A 44 -10.761 3.757 -0.404 1.00 2.58 C ATOM 671 OG SER A 44 -9.817 2.779 0.025 1.00 2.61 O ATOM 0 H SER A 44 -10.482 6.854 -0.974 1.00 2.31 H new ATOM 0 HA SER A 44 -9.057 5.010 -0.923 1.00 2.22 H new ATOM 0 HB2 SER A 44 -11.203 4.256 0.458 1.00 2.58 H new ATOM 0 HB3 SER A 44 -11.576 3.280 -0.948 1.00 2.58 H new ATOM 0 HG SER A 44 -9.832 2.017 -0.592 1.00 2.61 H new ATOM 677 N GLN A 45 -10.838 3.552 -3.275 1.00 2.11 N ATOM 678 CA GLN A 45 -10.719 2.995 -4.658 1.00 2.21 C ATOM 679 C GLN A 45 -12.103 2.570 -5.182 1.00 2.29 C ATOM 680 O GLN A 45 -13.113 2.761 -4.528 1.00 2.42 O ATOM 681 CB GLN A 45 -9.782 1.790 -4.516 1.00 2.33 C ATOM 682 CG GLN A 45 -10.507 0.620 -3.838 1.00 2.32 C ATOM 683 CD GLN A 45 -9.604 0.019 -2.764 1.00 2.29 C ATOM 684 OE1 GLN A 45 -9.650 0.424 -1.619 1.00 2.35 O ATOM 685 NE2 GLN A 45 -8.775 -0.931 -3.087 1.00 2.43 N ATOM 0 H GLN A 45 -11.727 3.361 -2.814 1.00 2.11 H new ATOM 0 HA GLN A 45 -10.332 3.722 -5.372 1.00 2.21 H new ATOM 0 HB2 GLN A 45 -9.424 1.483 -5.499 1.00 2.33 H new ATOM 0 HB3 GLN A 45 -8.906 2.070 -3.931 1.00 2.33 H new ATOM 0 HG2 GLN A 45 -11.440 0.965 -3.393 1.00 2.32 H new ATOM 0 HG3 GLN A 45 -10.767 -0.138 -4.576 1.00 2.32 H new ATOM 0 HE21 GLN A 45 -8.737 -1.270 -4.048 1.00 2.43 H new ATOM 0 HE22 GLN A 45 -8.163 -1.336 -2.379 1.00 2.43 H new ATOM 694 N SER A 46 -12.162 1.993 -6.353 1.00 2.39 N ATOM 695 CA SER A 46 -13.479 1.554 -6.909 1.00 2.67 C ATOM 696 C SER A 46 -13.286 0.415 -7.920 1.00 2.60 C ATOM 697 O SER A 46 -13.996 0.316 -8.905 1.00 2.84 O ATOM 698 CB SER A 46 -14.072 2.794 -7.586 1.00 3.22 C ATOM 699 OG SER A 46 -14.819 3.548 -6.629 1.00 3.47 O ATOM 0 H SER A 46 -11.356 1.806 -6.950 1.00 2.39 H new ATOM 0 HA SER A 46 -14.139 1.169 -6.132 1.00 2.67 H new ATOM 0 HB2 SER A 46 -13.275 3.408 -8.007 1.00 3.22 H new ATOM 0 HB3 SER A 46 -14.716 2.497 -8.413 1.00 3.22 H new ATOM 0 HG SER A 46 -14.463 3.381 -5.731 1.00 3.47 H new ATOM 705 N GLU A 47 -12.338 -0.448 -7.678 1.00 2.34 N ATOM 706 CA GLU A 47 -12.098 -1.584 -8.608 1.00 2.31 C ATOM 707 C GLU A 47 -12.766 -2.850 -8.058 1.00 2.10 C ATOM 708 O GLU A 47 -13.091 -2.930 -6.889 1.00 2.05 O ATOM 709 CB GLU A 47 -10.572 -1.753 -8.657 1.00 2.34 C ATOM 710 CG GLU A 47 -9.920 -0.485 -9.232 1.00 2.54 C ATOM 711 CD GLU A 47 -9.476 0.435 -8.094 1.00 2.56 C ATOM 712 OE1 GLU A 47 -8.513 0.098 -7.426 1.00 2.76 O ATOM 713 OE2 GLU A 47 -10.106 1.463 -7.909 1.00 2.54 O ATOM 0 H GLU A 47 -11.716 -0.413 -6.870 1.00 2.34 H new ATOM 0 HA GLU A 47 -12.511 -1.405 -9.601 1.00 2.31 H new ATOM 0 HB2 GLU A 47 -10.187 -1.948 -7.656 1.00 2.34 H new ATOM 0 HB3 GLU A 47 -10.313 -2.615 -9.271 1.00 2.34 H new ATOM 0 HG2 GLU A 47 -9.063 -0.754 -9.849 1.00 2.54 H new ATOM 0 HG3 GLU A 47 -10.626 0.036 -9.878 1.00 2.54 H new ATOM 720 N ASP A 48 -12.965 -3.844 -8.888 1.00 2.08 N ATOM 721 CA ASP A 48 -13.601 -5.111 -8.404 1.00 1.93 C ATOM 722 C ASP A 48 -12.678 -5.795 -7.381 1.00 1.67 C ATOM 723 O ASP A 48 -13.062 -6.032 -6.250 1.00 1.59 O ATOM 724 CB ASP A 48 -13.770 -5.977 -9.659 1.00 2.04 C ATOM 725 CG ASP A 48 -14.653 -7.179 -9.333 1.00 1.99 C ATOM 726 OD1 ASP A 48 -15.850 -6.995 -9.206 1.00 2.28 O ATOM 727 OD2 ASP A 48 -14.118 -8.270 -9.215 1.00 1.85 O ATOM 0 H ASP A 48 -12.716 -3.834 -9.877 1.00 2.08 H new ATOM 0 HA ASP A 48 -14.556 -4.940 -7.907 1.00 1.93 H new ATOM 0 HB2 ASP A 48 -14.218 -5.390 -10.461 1.00 2.04 H new ATOM 0 HB3 ASP A 48 -12.796 -6.313 -10.015 1.00 2.04 H new ATOM 732 N GLU A 49 -11.459 -6.092 -7.778 1.00 1.63 N ATOM 733 CA GLU A 49 -10.466 -6.744 -6.859 1.00 1.46 C ATOM 734 C GLU A 49 -10.937 -8.135 -6.399 1.00 1.25 C ATOM 735 O GLU A 49 -10.320 -9.132 -6.721 1.00 1.26 O ATOM 736 CB GLU A 49 -10.317 -5.786 -5.671 1.00 1.57 C ATOM 737 CG GLU A 49 -8.840 -5.708 -5.266 1.00 1.84 C ATOM 738 CD GLU A 49 -8.423 -7.007 -4.576 1.00 2.05 C ATOM 739 OE1 GLU A 49 -8.913 -7.261 -3.488 1.00 2.68 O ATOM 740 OE2 GLU A 49 -7.618 -7.725 -5.145 1.00 2.15 O ATOM 0 H GLU A 49 -11.105 -5.906 -8.717 1.00 1.63 H new ATOM 0 HA GLU A 49 -9.515 -6.913 -7.364 1.00 1.46 H new ATOM 0 HB2 GLU A 49 -10.685 -4.796 -5.939 1.00 1.57 H new ATOM 0 HB3 GLU A 49 -10.919 -6.133 -4.831 1.00 1.57 H new ATOM 0 HG2 GLU A 49 -8.220 -5.538 -6.147 1.00 1.84 H new ATOM 0 HG3 GLU A 49 -8.681 -4.863 -4.597 1.00 1.84 H new ATOM 747 N GLU A 50 -12.015 -8.218 -5.658 1.00 1.24 N ATOM 748 CA GLU A 50 -12.502 -9.552 -5.194 1.00 1.25 C ATOM 749 C GLU A 50 -14.026 -9.654 -5.340 1.00 1.42 C ATOM 750 O GLU A 50 -14.769 -8.874 -4.774 1.00 1.65 O ATOM 751 CB GLU A 50 -12.080 -9.642 -3.721 1.00 1.36 C ATOM 752 CG GLU A 50 -12.207 -11.093 -3.224 1.00 1.57 C ATOM 753 CD GLU A 50 -11.787 -12.074 -4.323 1.00 1.99 C ATOM 754 OE1 GLU A 50 -12.604 -12.350 -5.186 1.00 2.36 O ATOM 755 OE2 GLU A 50 -10.655 -12.529 -4.285 1.00 2.20 O ATOM 0 H GLU A 50 -12.576 -7.422 -5.356 1.00 1.24 H new ATOM 0 HA GLU A 50 -12.085 -10.369 -5.783 1.00 1.25 H new ATOM 0 HB2 GLU A 50 -11.052 -9.299 -3.607 1.00 1.36 H new ATOM 0 HB3 GLU A 50 -12.704 -8.985 -3.115 1.00 1.36 H new ATOM 0 HG2 GLU A 50 -11.584 -11.237 -2.342 1.00 1.57 H new ATOM 0 HG3 GLU A 50 -13.236 -11.292 -2.924 1.00 1.57 H new ATOM 762 N SER A 51 -14.495 -10.611 -6.103 1.00 1.42 N ATOM 763 CA SER A 51 -15.969 -10.761 -6.301 1.00 1.65 C ATOM 764 C SER A 51 -16.344 -12.201 -6.675 1.00 1.76 C ATOM 765 O SER A 51 -17.151 -12.832 -6.022 1.00 2.06 O ATOM 766 CB SER A 51 -16.295 -9.809 -7.450 1.00 1.77 C ATOM 767 OG SER A 51 -15.626 -10.245 -8.633 1.00 1.77 O ATOM 0 H SER A 51 -13.920 -11.294 -6.597 1.00 1.42 H new ATOM 0 HA SER A 51 -16.525 -10.535 -5.391 1.00 1.65 H new ATOM 0 HB2 SER A 51 -17.372 -9.780 -7.618 1.00 1.77 H new ATOM 0 HB3 SER A 51 -15.984 -8.796 -7.196 1.00 1.77 H new ATOM 0 HG SER A 51 -14.795 -9.738 -8.745 1.00 1.77 H new ATOM 773 N ILE A 52 -15.784 -12.702 -7.738 1.00 1.66 N ATOM 774 CA ILE A 52 -16.112 -14.090 -8.197 1.00 1.81 C ATOM 775 C ILE A 52 -15.379 -15.137 -7.353 1.00 1.73 C ATOM 776 O ILE A 52 -15.992 -15.984 -6.734 1.00 2.00 O ATOM 777 CB ILE A 52 -15.632 -14.152 -9.650 1.00 1.81 C ATOM 778 CG1 ILE A 52 -16.323 -13.062 -10.468 1.00 2.04 C ATOM 779 CG2 ILE A 52 -15.973 -15.515 -10.246 1.00 2.06 C ATOM 780 CD1 ILE A 52 -15.515 -12.791 -11.738 1.00 2.21 C ATOM 0 H ILE A 52 -15.105 -12.209 -8.318 1.00 1.66 H new ATOM 0 HA ILE A 52 -17.177 -14.303 -8.101 1.00 1.81 H new ATOM 0 HB ILE A 52 -14.553 -14.000 -9.675 1.00 1.81 H new ATOM 0 HG12 ILE A 52 -17.335 -13.373 -10.727 1.00 2.04 H new ATOM 0 HG13 ILE A 52 -16.411 -12.150 -9.878 1.00 2.04 H new ATOM 0 HG21 ILE A 52 -15.630 -15.556 -11.280 1.00 2.06 H new ATOM 0 HG22 ILE A 52 -15.481 -16.298 -9.669 1.00 2.06 H new ATOM 0 HG23 ILE A 52 -17.052 -15.666 -10.215 1.00 2.06 H new ATOM 0 HD11 ILE A 52 -16.006 -12.014 -12.323 1.00 2.21 H new ATOM 0 HD12 ILE A 52 -14.512 -12.462 -11.468 1.00 2.21 H new ATOM 0 HD13 ILE A 52 -15.450 -13.704 -12.330 1.00 2.21 H new ATOM 792 N VAL A 53 -14.071 -15.094 -7.341 1.00 1.49 N ATOM 793 CA VAL A 53 -13.296 -16.103 -6.547 1.00 1.59 C ATOM 794 C VAL A 53 -13.529 -15.914 -5.040 1.00 1.53 C ATOM 795 O VAL A 53 -13.771 -16.870 -4.326 1.00 1.67 O ATOM 796 CB VAL A 53 -11.811 -15.908 -6.919 1.00 1.60 C ATOM 797 CG1 VAL A 53 -11.373 -14.451 -6.740 1.00 1.42 C ATOM 798 CG2 VAL A 53 -10.948 -16.794 -6.020 1.00 1.88 C ATOM 0 H VAL A 53 -13.506 -14.409 -7.843 1.00 1.49 H new ATOM 0 HA VAL A 53 -13.619 -17.118 -6.778 1.00 1.59 H new ATOM 0 HB VAL A 53 -11.687 -16.180 -7.967 1.00 1.60 H new ATOM 0 HG11 VAL A 53 -10.322 -14.351 -7.011 1.00 1.42 H new ATOM 0 HG12 VAL A 53 -11.976 -13.808 -7.382 1.00 1.42 H new ATOM 0 HG13 VAL A 53 -11.509 -14.155 -5.700 1.00 1.42 H new ATOM 0 HG21 VAL A 53 -9.897 -16.661 -6.278 1.00 1.88 H new ATOM 0 HG22 VAL A 53 -11.104 -16.516 -4.978 1.00 1.88 H new ATOM 0 HG23 VAL A 53 -11.227 -17.838 -6.162 1.00 1.88 H new ATOM 808 N GLY A 54 -13.453 -14.705 -4.549 1.00 1.39 N ATOM 809 CA GLY A 54 -13.660 -14.465 -3.087 1.00 1.40 C ATOM 810 C GLY A 54 -12.562 -15.177 -2.291 1.00 1.28 C ATOM 811 O GLY A 54 -12.779 -15.596 -1.173 1.00 1.29 O ATOM 0 H GLY A 54 -13.256 -13.869 -5.099 1.00 1.39 H new ATOM 0 HA2 GLY A 54 -13.641 -13.396 -2.877 1.00 1.40 H new ATOM 0 HA3 GLY A 54 -14.640 -14.832 -2.783 1.00 1.40 H new ATOM 815 N ASP A 55 -11.388 -15.316 -2.871 1.00 1.26 N ATOM 816 CA ASP A 55 -10.249 -16.007 -2.181 1.00 1.19 C ATOM 817 C ASP A 55 -10.668 -17.415 -1.715 1.00 1.13 C ATOM 818 O ASP A 55 -11.056 -17.630 -0.579 1.00 1.32 O ATOM 819 CB ASP A 55 -9.880 -15.104 -0.997 1.00 1.28 C ATOM 820 CG ASP A 55 -9.033 -13.926 -1.484 1.00 1.43 C ATOM 821 OD1 ASP A 55 -8.021 -14.162 -2.125 1.00 1.11 O ATOM 822 OD2 ASP A 55 -9.407 -12.798 -1.207 1.00 2.06 O ATOM 0 H ASP A 55 -11.170 -14.974 -3.807 1.00 1.26 H new ATOM 0 HA ASP A 55 -9.396 -16.153 -2.844 1.00 1.19 H new ATOM 0 HB2 ASP A 55 -10.785 -14.737 -0.513 1.00 1.28 H new ATOM 0 HB3 ASP A 55 -9.328 -15.676 -0.251 1.00 1.28 H new ATOM 827 N GLY A 56 -10.578 -18.374 -2.602 1.00 1.03 N ATOM 828 CA GLY A 56 -10.954 -19.782 -2.265 1.00 1.10 C ATOM 829 C GLY A 56 -10.400 -20.698 -3.354 1.00 1.10 C ATOM 830 O GLY A 56 -9.755 -21.689 -3.078 1.00 1.23 O ATOM 0 H GLY A 56 -10.255 -18.239 -3.560 1.00 1.03 H new ATOM 0 HA2 GLY A 56 -10.550 -20.061 -1.292 1.00 1.10 H new ATOM 0 HA3 GLY A 56 -12.038 -19.881 -2.200 1.00 1.10 H new ATOM 834 N GLU A 57 -10.628 -20.347 -4.595 1.00 1.10 N ATOM 835 CA GLU A 57 -10.096 -21.165 -5.726 1.00 1.20 C ATOM 836 C GLU A 57 -8.774 -20.553 -6.216 1.00 0.96 C ATOM 837 O GLU A 57 -7.775 -21.232 -6.358 1.00 1.04 O ATOM 838 CB GLU A 57 -11.186 -21.099 -6.806 1.00 1.50 C ATOM 839 CG GLU A 57 -10.672 -21.702 -8.123 1.00 1.68 C ATOM 840 CD GLU A 57 -10.898 -20.711 -9.267 1.00 1.76 C ATOM 841 OE1 GLU A 57 -10.440 -19.585 -9.153 1.00 1.64 O ATOM 842 OE2 GLU A 57 -11.525 -21.094 -10.239 1.00 2.17 O ATOM 0 H GLU A 57 -11.163 -19.524 -4.874 1.00 1.10 H new ATOM 0 HA GLU A 57 -9.881 -22.197 -5.450 1.00 1.20 H new ATOM 0 HB2 GLU A 57 -12.071 -21.640 -6.472 1.00 1.50 H new ATOM 0 HB3 GLU A 57 -11.487 -20.064 -6.966 1.00 1.50 H new ATOM 0 HG2 GLU A 57 -9.611 -21.937 -8.037 1.00 1.68 H new ATOM 0 HG3 GLU A 57 -11.190 -22.638 -8.332 1.00 1.68 H new ATOM 849 N THR A 58 -8.766 -19.264 -6.444 1.00 0.91 N ATOM 850 CA THR A 58 -7.528 -18.567 -6.894 1.00 0.92 C ATOM 851 C THR A 58 -7.146 -17.502 -5.863 1.00 0.93 C ATOM 852 O THR A 58 -7.824 -17.330 -4.866 1.00 0.97 O ATOM 853 CB THR A 58 -7.868 -17.914 -8.244 1.00 1.12 C ATOM 854 OG1 THR A 58 -9.254 -17.584 -8.296 1.00 1.33 O ATOM 855 CG2 THR A 58 -7.523 -18.878 -9.380 1.00 1.17 C ATOM 0 H THR A 58 -9.579 -18.658 -6.335 1.00 0.91 H new ATOM 0 HA THR A 58 -6.686 -19.252 -6.996 1.00 0.92 H new ATOM 0 HB THR A 58 -7.285 -17.000 -8.354 1.00 1.12 H new ATOM 0 HG1 THR A 58 -9.707 -18.175 -8.932 1.00 1.33 H new ATOM 0 HG21 THR A 58 -7.764 -18.414 -10.337 1.00 1.17 H new ATOM 0 HG22 THR A 58 -6.459 -19.112 -9.348 1.00 1.17 H new ATOM 0 HG23 THR A 58 -8.100 -19.796 -9.266 1.00 1.17 H new ATOM 863 N LYS A 59 -6.061 -16.794 -6.087 1.00 0.96 N ATOM 864 CA LYS A 59 -5.625 -15.746 -5.109 1.00 1.03 C ATOM 865 C LYS A 59 -5.309 -16.404 -3.755 1.00 0.99 C ATOM 866 O LYS A 59 -5.001 -17.581 -3.686 1.00 0.92 O ATOM 867 CB LYS A 59 -6.808 -14.770 -5.006 1.00 1.12 C ATOM 868 CG LYS A 59 -6.300 -13.324 -5.054 1.00 1.26 C ATOM 869 CD LYS A 59 -7.495 -12.363 -5.153 1.00 1.40 C ATOM 870 CE LYS A 59 -7.405 -11.300 -4.047 1.00 1.55 C ATOM 871 NZ LYS A 59 -8.696 -11.380 -3.294 1.00 1.86 N ATOM 0 H LYS A 59 -5.460 -16.898 -6.905 1.00 0.96 H new ATOM 0 HA LYS A 59 -4.720 -15.225 -5.421 1.00 1.03 H new ATOM 0 HB2 LYS A 59 -7.507 -14.946 -5.823 1.00 1.12 H new ATOM 0 HB3 LYS A 59 -7.353 -14.942 -4.078 1.00 1.12 H new ATOM 0 HG2 LYS A 59 -5.715 -13.103 -4.161 1.00 1.26 H new ATOM 0 HG3 LYS A 59 -5.639 -13.188 -5.910 1.00 1.26 H new ATOM 0 HD2 LYS A 59 -7.506 -11.882 -6.131 1.00 1.40 H new ATOM 0 HD3 LYS A 59 -8.428 -12.919 -5.060 1.00 1.40 H new ATOM 0 HE2 LYS A 59 -6.557 -11.491 -3.389 1.00 1.55 H new ATOM 0 HE3 LYS A 59 -7.261 -10.306 -4.471 1.00 1.55 H new ATOM 0 HZ1 LYS A 59 -9.137 -10.439 -3.260 1.00 1.86 H new ATOM 0 HZ2 LYS A 59 -9.336 -12.046 -3.772 1.00 1.86 H new ATOM 0 HZ3 LYS A 59 -8.513 -11.711 -2.325 1.00 1.86 H new ATOM 885 N GLU A 60 -5.369 -15.661 -2.684 1.00 1.10 N ATOM 886 CA GLU A 60 -5.064 -16.256 -1.344 1.00 1.10 C ATOM 887 C GLU A 60 -6.088 -17.352 -0.998 1.00 1.04 C ATOM 888 O GLU A 60 -7.254 -17.241 -1.333 1.00 1.09 O ATOM 889 CB GLU A 60 -5.152 -15.089 -0.353 1.00 1.26 C ATOM 890 CG GLU A 60 -3.990 -15.180 0.647 1.00 1.32 C ATOM 891 CD GLU A 60 -4.529 -15.463 2.049 1.00 1.39 C ATOM 892 OE1 GLU A 60 -5.113 -16.519 2.240 1.00 1.36 O ATOM 893 OE2 GLU A 60 -4.342 -14.619 2.907 1.00 1.62 O ATOM 0 H GLU A 60 -5.615 -14.671 -2.675 1.00 1.10 H new ATOM 0 HA GLU A 60 -4.082 -16.729 -1.319 1.00 1.10 H new ATOM 0 HB2 GLU A 60 -5.113 -14.140 -0.888 1.00 1.26 H new ATOM 0 HB3 GLU A 60 -6.105 -15.118 0.176 1.00 1.26 H new ATOM 0 HG2 GLU A 60 -3.302 -15.970 0.347 1.00 1.32 H new ATOM 0 HG3 GLU A 60 -3.425 -14.248 0.647 1.00 1.32 H new ATOM 900 N PRO A 61 -5.621 -18.385 -0.333 1.00 0.99 N ATOM 901 CA PRO A 61 -6.522 -19.503 0.052 1.00 0.95 C ATOM 902 C PRO A 61 -7.603 -19.010 1.025 1.00 1.07 C ATOM 903 O PRO A 61 -8.718 -19.487 0.991 1.00 1.12 O ATOM 904 CB PRO A 61 -5.576 -20.519 0.700 1.00 0.95 C ATOM 905 CG PRO A 61 -4.406 -19.709 1.151 1.00 1.03 C ATOM 906 CD PRO A 61 -4.246 -18.610 0.135 1.00 1.01 C ATOM 0 HA PRO A 61 -7.069 -19.934 -0.787 1.00 0.95 H new ATOM 0 HB2 PRO A 61 -6.053 -21.027 1.538 1.00 0.95 H new ATOM 0 HB3 PRO A 61 -5.275 -21.289 -0.010 1.00 0.95 H new ATOM 0 HG2 PRO A 61 -4.576 -19.298 2.146 1.00 1.03 H new ATOM 0 HG3 PRO A 61 -3.506 -20.321 1.208 1.00 1.03 H new ATOM 0 HD2 PRO A 61 -3.819 -17.710 0.578 1.00 1.01 H new ATOM 0 HD3 PRO A 61 -3.586 -18.908 -0.680 1.00 1.01 H new ATOM 914 N PHE A 62 -7.274 -18.048 1.866 1.00 1.20 N ATOM 915 CA PHE A 62 -8.257 -17.469 2.849 1.00 1.36 C ATOM 916 C PHE A 62 -9.279 -18.513 3.339 1.00 1.33 C ATOM 917 O PHE A 62 -9.044 -19.202 4.314 1.00 1.32 O ATOM 918 CB PHE A 62 -8.926 -16.314 2.089 1.00 1.48 C ATOM 919 CG PHE A 62 -9.677 -15.425 3.054 1.00 1.78 C ATOM 920 CD1 PHE A 62 -8.988 -14.761 4.078 1.00 1.95 C ATOM 921 CD2 PHE A 62 -11.060 -15.263 2.925 1.00 2.18 C ATOM 922 CE1 PHE A 62 -9.685 -13.935 4.969 1.00 2.29 C ATOM 923 CE2 PHE A 62 -11.755 -14.436 3.816 1.00 2.50 C ATOM 924 CZ PHE A 62 -11.067 -13.773 4.838 1.00 2.47 C ATOM 0 H PHE A 62 -6.344 -17.632 1.912 1.00 1.20 H new ATOM 0 HA PHE A 62 -7.767 -17.128 3.761 1.00 1.36 H new ATOM 0 HB2 PHE A 62 -8.172 -15.733 1.558 1.00 1.48 H new ATOM 0 HB3 PHE A 62 -9.610 -16.710 1.339 1.00 1.48 H new ATOM 0 HD1 PHE A 62 -7.920 -14.886 4.180 1.00 1.95 H new ATOM 0 HD2 PHE A 62 -11.592 -15.776 2.138 1.00 2.18 H new ATOM 0 HE1 PHE A 62 -9.154 -13.423 5.758 1.00 2.29 H new ATOM 0 HE2 PHE A 62 -12.823 -14.310 3.714 1.00 2.50 H new ATOM 0 HZ PHE A 62 -11.604 -13.136 5.526 1.00 2.47 H new ATOM 934 N LEU A 63 -10.401 -18.641 2.678 1.00 1.36 N ATOM 935 CA LEU A 63 -11.427 -19.643 3.108 1.00 1.38 C ATOM 936 C LEU A 63 -10.836 -21.060 3.141 1.00 1.20 C ATOM 937 O LEU A 63 -11.202 -21.873 3.974 1.00 1.20 O ATOM 938 CB LEU A 63 -12.544 -19.538 2.066 1.00 1.51 C ATOM 939 CG LEU A 63 -13.499 -18.404 2.455 1.00 1.78 C ATOM 940 CD1 LEU A 63 -13.959 -17.662 1.197 1.00 2.01 C ATOM 941 CD2 LEU A 63 -14.717 -18.992 3.172 1.00 2.02 C ATOM 0 H LEU A 63 -10.653 -18.093 1.855 1.00 1.36 H new ATOM 0 HA LEU A 63 -11.790 -19.446 4.117 1.00 1.38 H new ATOM 0 HB2 LEU A 63 -12.120 -19.349 1.080 1.00 1.51 H new ATOM 0 HB3 LEU A 63 -13.088 -20.481 2.003 1.00 1.51 H new ATOM 0 HG LEU A 63 -12.984 -17.707 3.116 1.00 1.78 H new ATOM 0 HD11 LEU A 63 -14.638 -16.857 1.477 1.00 2.01 H new ATOM 0 HD12 LEU A 63 -13.093 -17.244 0.684 1.00 2.01 H new ATOM 0 HD13 LEU A 63 -14.474 -18.356 0.533 1.00 2.01 H new ATOM 0 HD21 LEU A 63 -15.399 -18.188 3.450 1.00 2.02 H new ATOM 0 HD22 LEU A 63 -15.229 -19.688 2.508 1.00 2.02 H new ATOM 0 HD23 LEU A 63 -14.392 -19.519 4.069 1.00 2.02 H new ATOM 953 N LEU A 64 -9.918 -21.354 2.259 1.00 1.07 N ATOM 954 CA LEU A 64 -9.290 -22.712 2.245 1.00 0.95 C ATOM 955 C LEU A 64 -8.596 -22.978 3.585 1.00 0.92 C ATOM 956 O LEU A 64 -8.902 -23.940 4.266 1.00 0.91 O ATOM 957 CB LEU A 64 -8.283 -22.690 1.090 1.00 0.92 C ATOM 958 CG LEU A 64 -8.306 -24.040 0.368 1.00 1.02 C ATOM 959 CD1 LEU A 64 -8.321 -23.810 -1.145 1.00 1.37 C ATOM 960 CD2 LEU A 64 -7.059 -24.844 0.741 1.00 1.48 C ATOM 0 H LEU A 64 -9.574 -20.712 1.545 1.00 1.07 H new ATOM 0 HA LEU A 64 -10.023 -23.507 2.107 1.00 0.95 H new ATOM 0 HB2 LEU A 64 -8.530 -21.889 0.393 1.00 0.92 H new ATOM 0 HB3 LEU A 64 -7.282 -22.485 1.470 1.00 0.92 H new ATOM 0 HG LEU A 64 -9.198 -24.591 0.665 1.00 1.02 H new ATOM 0 HD11 LEU A 64 -8.337 -24.771 -1.659 1.00 1.37 H new ATOM 0 HD12 LEU A 64 -9.208 -23.238 -1.417 1.00 1.37 H new ATOM 0 HD13 LEU A 64 -7.428 -23.257 -1.438 1.00 1.37 H new ATOM 0 HD21 LEU A 64 -7.078 -25.804 0.226 1.00 1.48 H new ATOM 0 HD22 LEU A 64 -6.168 -24.291 0.445 1.00 1.48 H new ATOM 0 HD23 LEU A 64 -7.042 -25.010 1.818 1.00 1.48 H new ATOM 972 N VAL A 65 -7.682 -22.130 3.986 1.00 0.98 N ATOM 973 CA VAL A 65 -6.994 -22.341 5.296 1.00 1.05 C ATOM 974 C VAL A 65 -7.963 -22.051 6.452 1.00 1.13 C ATOM 975 O VAL A 65 -7.903 -22.679 7.497 1.00 1.17 O ATOM 976 CB VAL A 65 -5.792 -21.383 5.296 1.00 1.17 C ATOM 977 CG1 VAL A 65 -4.836 -21.765 4.166 1.00 1.15 C ATOM 978 CG2 VAL A 65 -6.245 -19.932 5.096 1.00 1.27 C ATOM 0 H VAL A 65 -7.384 -21.305 3.466 1.00 0.98 H new ATOM 0 HA VAL A 65 -6.660 -23.370 5.430 1.00 1.05 H new ATOM 0 HB VAL A 65 -5.291 -21.464 6.260 1.00 1.17 H new ATOM 0 HG11 VAL A 65 -3.983 -21.086 4.166 1.00 1.15 H new ATOM 0 HG12 VAL A 65 -4.486 -22.787 4.315 1.00 1.15 H new ATOM 0 HG13 VAL A 65 -5.356 -21.695 3.210 1.00 1.15 H new ATOM 0 HG21 VAL A 65 -5.375 -19.275 5.100 1.00 1.27 H new ATOM 0 HG22 VAL A 65 -6.764 -19.841 4.142 1.00 1.27 H new ATOM 0 HG23 VAL A 65 -6.919 -19.647 5.904 1.00 1.27 H new ATOM 988 N GLN A 66 -8.879 -21.129 6.260 1.00 1.22 N ATOM 989 CA GLN A 66 -9.878 -20.821 7.335 1.00 1.36 C ATOM 990 C GLN A 66 -10.701 -22.079 7.645 1.00 1.27 C ATOM 991 O GLN A 66 -10.899 -22.438 8.791 1.00 1.33 O ATOM 992 CB GLN A 66 -10.764 -19.706 6.765 1.00 1.51 C ATOM 993 CG GLN A 66 -10.165 -18.337 7.113 1.00 1.81 C ATOM 994 CD GLN A 66 -11.269 -17.387 7.586 1.00 2.24 C ATOM 995 OE1 GLN A 66 -12.124 -17.758 8.361 1.00 2.60 O ATOM 996 NE2 GLN A 66 -11.285 -16.165 7.158 1.00 2.57 N ATOM 0 H GLN A 66 -8.978 -20.578 5.407 1.00 1.22 H new ATOM 0 HA GLN A 66 -9.408 -20.508 8.267 1.00 1.36 H new ATOM 0 HB2 GLN A 66 -10.847 -19.812 5.683 1.00 1.51 H new ATOM 0 HB3 GLN A 66 -11.772 -19.786 7.172 1.00 1.51 H new ATOM 0 HG2 GLN A 66 -9.411 -18.448 7.892 1.00 1.81 H new ATOM 0 HG3 GLN A 66 -9.663 -17.918 6.241 1.00 1.81 H new ATOM 0 HE21 GLN A 66 -10.570 -15.844 6.506 1.00 2.57 H new ATOM 0 HE22 GLN A 66 -12.013 -15.524 7.473 1.00 2.57 H new ATOM 1005 N TYR A 67 -11.151 -22.760 6.625 1.00 1.18 N ATOM 1006 CA TYR A 67 -11.938 -24.019 6.834 1.00 1.15 C ATOM 1007 C TYR A 67 -10.994 -25.145 7.268 1.00 1.01 C ATOM 1008 O TYR A 67 -11.298 -25.931 8.150 1.00 1.00 O ATOM 1009 CB TYR A 67 -12.558 -24.333 5.468 1.00 1.18 C ATOM 1010 CG TYR A 67 -13.965 -24.862 5.653 1.00 1.54 C ATOM 1011 CD1 TYR A 67 -14.173 -26.198 6.019 1.00 1.90 C ATOM 1012 CD2 TYR A 67 -15.062 -24.018 5.456 1.00 2.09 C ATOM 1013 CE1 TYR A 67 -15.475 -26.684 6.186 1.00 2.56 C ATOM 1014 CE2 TYR A 67 -16.362 -24.508 5.626 1.00 2.71 C ATOM 1015 CZ TYR A 67 -16.567 -25.839 5.990 1.00 2.87 C ATOM 1016 OH TYR A 67 -17.846 -26.324 6.146 1.00 3.61 O ATOM 0 H TYR A 67 -11.008 -22.500 5.649 1.00 1.18 H new ATOM 0 HA TYR A 67 -12.700 -23.915 7.607 1.00 1.15 H new ATOM 0 HB2 TYR A 67 -12.576 -23.435 4.851 1.00 1.18 H new ATOM 0 HB3 TYR A 67 -11.949 -25.069 4.942 1.00 1.18 H new ATOM 0 HD1 TYR A 67 -13.328 -26.853 6.172 1.00 1.90 H new ATOM 0 HD2 TYR A 67 -14.906 -22.988 5.173 1.00 2.09 H new ATOM 0 HE1 TYR A 67 -15.634 -27.715 6.467 1.00 2.56 H new ATOM 0 HE2 TYR A 67 -17.208 -23.854 5.475 1.00 2.71 H new ATOM 0 HH TYR A 67 -18.491 -25.607 5.974 1.00 3.61 H new ATOM 1026 N SER A 68 -9.843 -25.210 6.647 1.00 0.96 N ATOM 1027 CA SER A 68 -8.831 -26.265 6.986 1.00 0.94 C ATOM 1028 C SER A 68 -8.418 -26.175 8.462 1.00 1.02 C ATOM 1029 O SER A 68 -8.042 -27.162 9.061 1.00 1.06 O ATOM 1030 CB SER A 68 -7.620 -25.981 6.083 1.00 0.98 C ATOM 1031 OG SER A 68 -8.006 -26.090 4.715 1.00 1.15 O ATOM 0 H SER A 68 -9.555 -24.568 5.908 1.00 0.96 H new ATOM 0 HA SER A 68 -9.235 -27.265 6.830 1.00 0.94 H new ATOM 0 HB2 SER A 68 -7.231 -24.983 6.283 1.00 0.98 H new ATOM 0 HB3 SER A 68 -6.818 -26.685 6.302 1.00 0.98 H new ATOM 0 HG SER A 68 -7.955 -25.209 4.290 1.00 1.15 H new ATOM 1037 N ALA A 69 -8.472 -25.004 9.052 1.00 1.12 N ATOM 1038 CA ALA A 69 -8.070 -24.874 10.488 1.00 1.28 C ATOM 1039 C ALA A 69 -9.293 -24.953 11.411 1.00 1.25 C ATOM 1040 O ALA A 69 -9.269 -25.612 12.436 1.00 1.23 O ATOM 1041 CB ALA A 69 -7.410 -23.501 10.589 1.00 1.54 C ATOM 0 H ALA A 69 -8.775 -24.139 8.605 1.00 1.12 H new ATOM 0 HA ALA A 69 -7.401 -25.678 10.796 1.00 1.28 H new ATOM 0 HB1 ALA A 69 -7.086 -23.328 11.615 1.00 1.54 H new ATOM 0 HB2 ALA A 69 -6.547 -23.462 9.924 1.00 1.54 H new ATOM 0 HB3 ALA A 69 -8.126 -22.731 10.300 1.00 1.54 H new ATOM 1047 N LYS A 70 -10.355 -24.279 11.060 1.00 1.34 N ATOM 1048 CA LYS A 70 -11.586 -24.298 11.922 1.00 1.42 C ATOM 1049 C LYS A 70 -12.264 -25.661 11.880 1.00 1.18 C ATOM 1050 O LYS A 70 -12.741 -26.152 12.884 1.00 1.16 O ATOM 1051 CB LYS A 70 -12.509 -23.228 11.343 1.00 1.67 C ATOM 1052 CG LYS A 70 -11.898 -21.859 11.610 1.00 1.95 C ATOM 1053 CD LYS A 70 -12.934 -20.763 11.341 1.00 2.66 C ATOM 1054 CE LYS A 70 -12.471 -19.911 10.162 1.00 3.26 C ATOM 1055 NZ LYS A 70 -13.072 -18.564 10.388 1.00 3.36 N ATOM 0 H LYS A 70 -10.429 -23.714 10.214 1.00 1.34 H new ATOM 0 HA LYS A 70 -11.340 -24.104 12.966 1.00 1.42 H new ATOM 0 HB2 LYS A 70 -12.639 -23.381 10.272 1.00 1.67 H new ATOM 0 HB3 LYS A 70 -13.497 -23.296 11.797 1.00 1.67 H new ATOM 0 HG2 LYS A 70 -11.554 -21.800 12.642 1.00 1.95 H new ATOM 0 HG3 LYS A 70 -11.025 -21.710 10.974 1.00 1.95 H new ATOM 0 HD2 LYS A 70 -13.904 -21.209 11.123 1.00 2.66 H new ATOM 0 HD3 LYS A 70 -13.061 -20.141 12.227 1.00 2.66 H new ATOM 0 HE2 LYS A 70 -11.383 -19.854 10.121 1.00 3.26 H new ATOM 0 HE3 LYS A 70 -12.804 -20.336 9.215 1.00 3.26 H new ATOM 0 HZ1 LYS A 70 -12.727 -17.904 9.662 1.00 3.36 H new ATOM 0 HZ2 LYS A 70 -14.108 -18.632 10.330 1.00 3.36 H new ATOM 0 HZ3 LYS A 70 -12.800 -18.216 11.329 1.00 3.36 H new ATOM 1069 N GLY A 71 -12.308 -26.266 10.727 1.00 1.07 N ATOM 1070 CA GLY A 71 -12.954 -27.616 10.593 1.00 0.98 C ATOM 1071 C GLY A 71 -12.482 -28.526 11.729 1.00 0.84 C ATOM 1072 O GLY A 71 -13.282 -28.960 12.540 1.00 0.87 O ATOM 0 H GLY A 71 -11.924 -25.887 9.862 1.00 1.07 H new ATOM 0 HA2 GLY A 71 -14.039 -27.516 10.621 1.00 0.98 H new ATOM 0 HA3 GLY A 71 -12.700 -28.058 9.630 1.00 0.98 H new ATOM 1076 N PRO A 72 -11.191 -28.765 11.776 1.00 0.79 N ATOM 1077 CA PRO A 72 -10.628 -29.606 12.857 1.00 0.84 C ATOM 1078 C PRO A 72 -10.758 -28.877 14.203 1.00 0.91 C ATOM 1079 O PRO A 72 -11.143 -29.467 15.189 1.00 0.92 O ATOM 1080 CB PRO A 72 -9.169 -29.795 12.449 1.00 1.02 C ATOM 1081 CG PRO A 72 -8.866 -28.625 11.571 1.00 0.99 C ATOM 1082 CD PRO A 72 -10.146 -28.289 10.854 1.00 0.85 C ATOM 0 HA PRO A 72 -11.138 -30.561 12.983 1.00 0.84 H new ATOM 0 HB2 PRO A 72 -8.514 -29.817 13.320 1.00 1.02 H new ATOM 0 HB3 PRO A 72 -9.025 -30.736 11.918 1.00 1.02 H new ATOM 0 HG2 PRO A 72 -8.517 -27.777 12.160 1.00 0.99 H new ATOM 0 HG3 PRO A 72 -8.075 -28.867 10.861 1.00 0.99 H new ATOM 0 HD2 PRO A 72 -10.233 -27.219 10.667 1.00 0.85 H new ATOM 0 HD3 PRO A 72 -10.207 -28.787 9.886 1.00 0.85 H new ATOM 1090 N CYS A 73 -10.464 -27.595 14.254 1.00 1.05 N ATOM 1091 CA CYS A 73 -10.602 -26.852 15.550 1.00 1.26 C ATOM 1092 C CYS A 73 -12.012 -27.041 16.121 1.00 1.19 C ATOM 1093 O CYS A 73 -12.188 -27.314 17.295 1.00 1.23 O ATOM 1094 CB CYS A 73 -10.344 -25.380 15.218 1.00 1.51 C ATOM 1095 SG CYS A 73 -10.003 -24.472 16.746 1.00 2.16 S ATOM 0 H CYS A 73 -10.138 -27.038 13.464 1.00 1.05 H new ATOM 0 HA CYS A 73 -9.902 -27.216 16.302 1.00 1.26 H new ATOM 0 HB2 CYS A 73 -9.500 -25.292 14.534 1.00 1.51 H new ATOM 0 HB3 CYS A 73 -11.210 -24.952 14.713 1.00 1.51 H new ATOM 0 HG CYS A 73 -9.781 -23.222 16.468 1.00 2.16 H new ATOM 1101 N VAL A 74 -13.015 -26.925 15.293 1.00 1.16 N ATOM 1102 CA VAL A 74 -14.418 -27.124 15.777 1.00 1.23 C ATOM 1103 C VAL A 74 -14.649 -28.612 16.039 1.00 1.01 C ATOM 1104 O VAL A 74 -15.169 -28.998 17.069 1.00 1.05 O ATOM 1105 CB VAL A 74 -15.325 -26.604 14.652 1.00 1.41 C ATOM 1106 CG1 VAL A 74 -16.770 -27.045 14.903 1.00 1.59 C ATOM 1107 CG2 VAL A 74 -15.273 -25.075 14.620 1.00 1.72 C ATOM 0 H VAL A 74 -12.927 -26.701 14.302 1.00 1.16 H new ATOM 0 HA VAL A 74 -14.624 -26.596 16.708 1.00 1.23 H new ATOM 0 HB VAL A 74 -14.979 -27.009 13.701 1.00 1.41 H new ATOM 0 HG11 VAL A 74 -17.408 -26.673 14.102 1.00 1.59 H new ATOM 0 HG12 VAL A 74 -16.819 -28.134 14.930 1.00 1.59 H new ATOM 0 HG13 VAL A 74 -17.113 -26.643 15.856 1.00 1.59 H new ATOM 0 HG21 VAL A 74 -15.917 -24.706 13.822 1.00 1.72 H new ATOM 0 HG22 VAL A 74 -15.617 -24.679 15.576 1.00 1.72 H new ATOM 0 HG23 VAL A 74 -14.248 -24.749 14.440 1.00 1.72 H new ATOM 1117 N GLU A 75 -14.236 -29.444 15.120 1.00 0.87 N ATOM 1118 CA GLU A 75 -14.390 -30.925 15.299 1.00 0.85 C ATOM 1119 C GLU A 75 -13.769 -31.359 16.635 1.00 0.79 C ATOM 1120 O GLU A 75 -14.330 -32.152 17.373 1.00 0.85 O ATOM 1121 CB GLU A 75 -13.632 -31.528 14.105 1.00 0.90 C ATOM 1122 CG GLU A 75 -13.384 -33.028 14.323 1.00 1.04 C ATOM 1123 CD GLU A 75 -11.881 -33.299 14.421 1.00 1.14 C ATOM 1124 OE1 GLU A 75 -11.172 -32.997 13.468 1.00 1.28 O ATOM 1125 OE2 GLU A 75 -11.461 -33.817 15.448 1.00 1.21 O ATOM 0 H GLU A 75 -13.795 -29.162 14.245 1.00 0.87 H new ATOM 0 HA GLU A 75 -15.430 -31.250 15.326 1.00 0.85 H new ATOM 0 HB2 GLU A 75 -14.205 -31.378 13.190 1.00 0.90 H new ATOM 0 HB3 GLU A 75 -12.681 -31.012 13.973 1.00 0.90 H new ATOM 0 HG2 GLU A 75 -13.882 -33.359 15.234 1.00 1.04 H new ATOM 0 HG3 GLU A 75 -13.812 -33.600 13.500 1.00 1.04 H new ATOM 1132 N ARG A 76 -12.620 -30.827 16.948 1.00 0.82 N ATOM 1133 CA ARG A 76 -11.933 -31.179 18.226 1.00 0.98 C ATOM 1134 C ARG A 76 -12.648 -30.543 19.429 1.00 1.00 C ATOM 1135 O ARG A 76 -12.886 -31.194 20.429 1.00 1.03 O ATOM 1136 CB ARG A 76 -10.512 -30.628 18.082 1.00 1.18 C ATOM 1137 CG ARG A 76 -9.573 -31.750 17.621 1.00 1.33 C ATOM 1138 CD ARG A 76 -9.061 -31.439 16.214 1.00 1.29 C ATOM 1139 NE ARG A 76 -8.965 -32.764 15.532 1.00 1.41 N ATOM 1140 CZ ARG A 76 -8.152 -32.934 14.538 1.00 1.49 C ATOM 1141 NH1 ARG A 76 -6.873 -32.906 14.736 1.00 1.79 N ATOM 1142 NH2 ARG A 76 -8.634 -33.135 13.353 1.00 1.48 N ATOM 0 H ARG A 76 -12.120 -30.155 16.366 1.00 0.82 H new ATOM 0 HA ARG A 76 -11.936 -32.254 18.404 1.00 0.98 H new ATOM 0 HB2 ARG A 76 -10.499 -29.810 17.362 1.00 1.18 H new ATOM 0 HB3 ARG A 76 -10.170 -30.221 19.034 1.00 1.18 H new ATOM 0 HG2 ARG A 76 -8.735 -31.845 18.312 1.00 1.33 H new ATOM 0 HG3 ARG A 76 -10.099 -32.704 17.625 1.00 1.33 H new ATOM 0 HD2 ARG A 76 -9.742 -30.772 15.685 1.00 1.29 H new ATOM 0 HD3 ARG A 76 -8.091 -30.942 16.248 1.00 1.29 H new ATOM 0 HE ARG A 76 -9.544 -33.541 15.851 1.00 1.41 H new ATOM 0 HH11 ARG A 76 -6.506 -32.750 15.675 1.00 1.79 H new ATOM 0 HH12 ARG A 76 -6.233 -33.040 13.953 1.00 1.79 H new ATOM 0 HH21 ARG A 76 -9.644 -33.158 13.210 1.00 1.48 H new ATOM 0 HH22 ARG A 76 -8.004 -33.270 12.562 1.00 1.48 H new ATOM 1156 N LYS A 77 -13.002 -29.284 19.340 1.00 1.10 N ATOM 1157 CA LYS A 77 -13.711 -28.625 20.488 1.00 1.26 C ATOM 1158 C LYS A 77 -15.107 -29.237 20.663 1.00 1.14 C ATOM 1159 O LYS A 77 -15.653 -29.282 21.758 1.00 1.21 O ATOM 1160 CB LYS A 77 -13.771 -27.122 20.138 1.00 1.53 C ATOM 1161 CG LYS A 77 -15.168 -26.720 19.630 1.00 1.60 C ATOM 1162 CD LYS A 77 -16.063 -26.337 20.819 1.00 1.82 C ATOM 1163 CE LYS A 77 -17.462 -26.943 20.637 1.00 1.79 C ATOM 1164 NZ LYS A 77 -17.669 -27.814 21.832 1.00 1.67 N ATOM 0 H LYS A 77 -12.834 -28.686 18.531 1.00 1.10 H new ATOM 0 HA LYS A 77 -13.195 -28.772 21.437 1.00 1.26 H new ATOM 0 HB2 LYS A 77 -13.518 -26.531 21.018 1.00 1.53 H new ATOM 0 HB3 LYS A 77 -13.025 -26.894 19.376 1.00 1.53 H new ATOM 0 HG2 LYS A 77 -15.086 -25.881 18.939 1.00 1.60 H new ATOM 0 HG3 LYS A 77 -15.616 -27.546 19.077 1.00 1.60 H new ATOM 0 HD2 LYS A 77 -15.620 -26.695 21.749 1.00 1.82 H new ATOM 0 HD3 LYS A 77 -16.134 -25.252 20.897 1.00 1.82 H new ATOM 0 HE2 LYS A 77 -18.224 -26.165 20.580 1.00 1.79 H new ATOM 0 HE3 LYS A 77 -17.525 -27.519 19.714 1.00 1.79 H new ATOM 0 HZ1 LYS A 77 -18.543 -28.365 21.713 1.00 1.67 H new ATOM 0 HZ2 LYS A 77 -16.862 -28.462 21.933 1.00 1.67 H new ATOM 0 HZ3 LYS A 77 -17.747 -27.222 22.684 1.00 1.67 H new ATOM 1178 N ALA A 78 -15.683 -29.714 19.597 1.00 1.03 N ATOM 1179 CA ALA A 78 -17.028 -30.337 19.690 1.00 1.08 C ATOM 1180 C ALA A 78 -16.904 -31.725 20.310 1.00 0.98 C ATOM 1181 O ALA A 78 -17.564 -32.043 21.274 1.00 1.07 O ATOM 1182 CB ALA A 78 -17.531 -30.430 18.247 1.00 1.18 C ATOM 0 H ALA A 78 -15.277 -29.698 18.661 1.00 1.03 H new ATOM 0 HA ALA A 78 -17.714 -29.763 20.313 1.00 1.08 H new ATOM 0 HB1 ALA A 78 -18.523 -30.882 18.236 1.00 1.18 H new ATOM 0 HB2 ALA A 78 -17.583 -29.431 17.815 1.00 1.18 H new ATOM 0 HB3 ALA A 78 -16.846 -31.044 17.662 1.00 1.18 H new ATOM 1188 N LYS A 79 -16.045 -32.542 19.771 1.00 0.91 N ATOM 1189 CA LYS A 79 -15.863 -33.923 20.324 1.00 1.02 C ATOM 1190 C LYS A 79 -15.294 -33.883 21.759 1.00 1.01 C ATOM 1191 O LYS A 79 -15.532 -34.775 22.552 1.00 1.15 O ATOM 1192 CB LYS A 79 -14.897 -34.609 19.339 1.00 1.17 C ATOM 1193 CG LYS A 79 -13.452 -34.495 19.837 1.00 1.27 C ATOM 1194 CD LYS A 79 -12.494 -34.412 18.641 1.00 1.63 C ATOM 1195 CE LYS A 79 -12.265 -35.805 18.052 1.00 1.59 C ATOM 1196 NZ LYS A 79 -12.643 -35.670 16.621 1.00 1.47 N ATOM 0 H LYS A 79 -15.457 -32.318 18.969 1.00 0.91 H new ATOM 0 HA LYS A 79 -16.805 -34.464 20.409 1.00 1.02 H new ATOM 0 HB2 LYS A 79 -15.167 -35.659 19.227 1.00 1.17 H new ATOM 0 HB3 LYS A 79 -14.986 -34.150 18.354 1.00 1.17 H new ATOM 0 HG2 LYS A 79 -13.343 -33.610 20.464 1.00 1.27 H new ATOM 0 HG3 LYS A 79 -13.202 -35.357 20.456 1.00 1.27 H new ATOM 0 HD2 LYS A 79 -12.907 -33.750 17.880 1.00 1.63 H new ATOM 0 HD3 LYS A 79 -11.544 -33.981 18.956 1.00 1.63 H new ATOM 0 HE2 LYS A 79 -11.226 -36.116 18.161 1.00 1.59 H new ATOM 0 HE3 LYS A 79 -12.876 -36.554 18.555 1.00 1.59 H new ATOM 0 HZ1 LYS A 79 -12.646 -36.608 16.173 1.00 1.47 H new ATOM 0 HZ2 LYS A 79 -13.592 -35.250 16.551 1.00 1.47 H new ATOM 0 HZ3 LYS A 79 -11.956 -35.057 16.137 1.00 1.47 H new ATOM 1210 N LEU A 80 -14.531 -32.864 22.088 1.00 1.00 N ATOM 1211 CA LEU A 80 -13.926 -32.769 23.452 1.00 1.18 C ATOM 1212 C LEU A 80 -14.859 -32.067 24.453 1.00 1.20 C ATOM 1213 O LEU A 80 -14.897 -32.414 25.618 1.00 1.36 O ATOM 1214 CB LEU A 80 -12.641 -31.958 23.241 1.00 1.36 C ATOM 1215 CG LEU A 80 -11.809 -31.929 24.528 1.00 1.69 C ATOM 1216 CD1 LEU A 80 -10.700 -32.979 24.448 1.00 2.10 C ATOM 1217 CD2 LEU A 80 -11.173 -30.547 24.688 1.00 2.11 C ATOM 0 H LEU A 80 -14.302 -32.091 21.463 1.00 1.00 H new ATOM 0 HA LEU A 80 -13.740 -33.755 23.879 1.00 1.18 H new ATOM 0 HB2 LEU A 80 -12.056 -32.396 22.432 1.00 1.36 H new ATOM 0 HB3 LEU A 80 -12.891 -30.941 22.939 1.00 1.36 H new ATOM 0 HG LEU A 80 -12.456 -32.143 25.379 1.00 1.69 H new ATOM 0 HD11 LEU A 80 -10.110 -32.956 25.364 1.00 2.10 H new ATOM 0 HD12 LEU A 80 -11.143 -33.967 24.326 1.00 2.10 H new ATOM 0 HD13 LEU A 80 -10.055 -32.763 23.596 1.00 2.10 H new ATOM 0 HD21 LEU A 80 -10.580 -30.523 25.603 1.00 2.11 H new ATOM 0 HD22 LEU A 80 -10.529 -30.342 23.833 1.00 2.11 H new ATOM 0 HD23 LEU A 80 -11.956 -29.790 24.743 1.00 2.11 H new ATOM 1229 N MET A 81 -15.589 -31.071 24.025 1.00 1.15 N ATOM 1230 CA MET A 81 -16.490 -30.341 24.980 1.00 1.32 C ATOM 1231 C MET A 81 -17.984 -30.597 24.692 1.00 1.29 C ATOM 1232 O MET A 81 -18.770 -30.719 25.610 1.00 1.42 O ATOM 1233 CB MET A 81 -16.152 -28.860 24.786 1.00 1.59 C ATOM 1234 CG MET A 81 -15.718 -28.242 26.121 1.00 2.02 C ATOM 1235 SD MET A 81 -15.522 -26.453 25.917 1.00 2.67 S ATOM 1236 CE MET A 81 -14.989 -26.075 27.605 1.00 3.50 C ATOM 0 H MET A 81 -15.604 -30.729 23.064 1.00 1.15 H new ATOM 0 HA MET A 81 -16.331 -30.681 26.003 1.00 1.32 H new ATOM 0 HB2 MET A 81 -15.355 -28.754 24.050 1.00 1.59 H new ATOM 0 HB3 MET A 81 -17.020 -28.329 24.395 1.00 1.59 H new ATOM 0 HG2 MET A 81 -16.460 -28.453 26.891 1.00 2.02 H new ATOM 0 HG3 MET A 81 -14.780 -28.687 26.453 1.00 2.02 H new ATOM 0 HE1 MET A 81 -14.810 -25.004 27.699 1.00 3.50 H new ATOM 0 HE2 MET A 81 -15.766 -26.376 28.308 1.00 3.50 H new ATOM 0 HE3 MET A 81 -14.070 -26.617 27.826 1.00 3.50 H new ATOM 1246 N THR A 82 -18.396 -30.670 23.446 1.00 1.24 N ATOM 1247 CA THR A 82 -19.856 -30.904 23.160 1.00 1.42 C ATOM 1248 C THR A 82 -20.059 -32.010 22.118 1.00 1.41 C ATOM 1249 O THR A 82 -20.511 -31.740 21.018 1.00 1.61 O ATOM 1250 CB THR A 82 -20.393 -29.578 22.602 1.00 1.69 C ATOM 1251 OG1 THR A 82 -19.576 -29.154 21.512 1.00 1.63 O ATOM 1252 CG2 THR A 82 -20.397 -28.507 23.693 1.00 1.89 C ATOM 0 H THR A 82 -17.798 -30.580 22.625 1.00 1.24 H new ATOM 0 HA THR A 82 -20.373 -31.220 24.066 1.00 1.42 H new ATOM 0 HB THR A 82 -21.415 -29.727 22.254 1.00 1.69 H new ATOM 0 HG1 THR A 82 -19.656 -29.795 20.775 1.00 1.63 H new ATOM 0 HG21 THR A 82 -20.780 -27.572 23.284 1.00 1.89 H new ATOM 0 HG22 THR A 82 -21.033 -28.830 24.517 1.00 1.89 H new ATOM 0 HG23 THR A 82 -19.381 -28.354 24.057 1.00 1.89 H new ATOM 1260 N PRO A 83 -19.737 -33.226 22.490 1.00 1.35 N ATOM 1261 CA PRO A 83 -19.913 -34.366 21.549 1.00 1.53 C ATOM 1262 C PRO A 83 -21.400 -34.584 21.215 1.00 1.88 C ATOM 1263 O PRO A 83 -21.728 -35.141 20.186 1.00 2.10 O ATOM 1264 CB PRO A 83 -19.320 -35.553 22.314 1.00 1.56 C ATOM 1265 CG PRO A 83 -19.411 -35.155 23.753 1.00 1.48 C ATOM 1266 CD PRO A 83 -19.194 -33.666 23.784 1.00 1.29 C ATOM 0 HA PRO A 83 -19.428 -34.207 20.586 1.00 1.53 H new ATOM 0 HB2 PRO A 83 -19.878 -36.469 22.120 1.00 1.56 H new ATOM 0 HB3 PRO A 83 -18.288 -35.740 22.018 1.00 1.56 H new ATOM 0 HG2 PRO A 83 -20.384 -35.417 24.170 1.00 1.48 H new ATOM 0 HG3 PRO A 83 -18.659 -35.672 24.349 1.00 1.48 H new ATOM 0 HD2 PRO A 83 -19.715 -33.199 24.620 1.00 1.29 H new ATOM 0 HD3 PRO A 83 -18.138 -33.414 23.886 1.00 1.29 H new ATOM 1274 N ASN A 84 -22.291 -34.149 22.083 1.00 1.99 N ATOM 1275 CA ASN A 84 -23.772 -34.312 21.861 1.00 2.39 C ATOM 1276 C ASN A 84 -24.158 -35.794 21.891 1.00 2.55 C ATOM 1277 O ASN A 84 -25.026 -36.203 22.637 1.00 2.75 O ATOM 1278 CB ASN A 84 -24.065 -33.692 20.484 1.00 2.61 C ATOM 1279 CG ASN A 84 -25.415 -32.974 20.532 1.00 2.91 C ATOM 1280 OD1 ASN A 84 -25.564 -31.991 21.222 1.00 3.20 O ATOM 1281 ND2 ASN A 84 -26.409 -33.419 19.823 1.00 3.19 N ATOM 0 H ASN A 84 -22.049 -33.678 22.955 1.00 1.99 H new ATOM 0 HA ASN A 84 -24.352 -33.822 22.643 1.00 2.39 H new ATOM 0 HB2 ASN A 84 -23.276 -32.991 20.213 1.00 2.61 H new ATOM 0 HB3 ASN A 84 -24.079 -34.468 19.718 1.00 2.61 H new ATOM 0 HD21 ASN A 84 -27.309 -32.940 19.850 1.00 3.19 H new ATOM 0 HD22 ASN A 84 -26.289 -34.247 19.240 1.00 3.19 H new ATOM 1288 N GLY A 85 -23.505 -36.592 21.097 1.00 2.54 N ATOM 1289 CA GLY A 85 -23.800 -38.052 21.070 1.00 2.79 C ATOM 1290 C GLY A 85 -22.486 -38.826 20.985 1.00 2.63 C ATOM 1291 O GLY A 85 -22.051 -39.181 19.905 1.00 2.78 O ATOM 0 H GLY A 85 -22.770 -36.292 20.457 1.00 2.54 H new ATOM 0 HA2 GLY A 85 -24.349 -38.341 21.966 1.00 2.79 H new ATOM 0 HA3 GLY A 85 -24.434 -38.292 20.216 1.00 2.79 H new ATOM 1295 N PRO A 86 -21.895 -39.085 22.129 1.00 2.48 N ATOM 1296 CA PRO A 86 -20.618 -39.845 22.163 1.00 2.56 C ATOM 1297 C PRO A 86 -20.810 -41.250 21.572 1.00 3.09 C ATOM 1298 O PRO A 86 -19.854 -41.898 21.185 1.00 3.33 O ATOM 1299 CB PRO A 86 -20.262 -39.880 23.653 1.00 2.57 C ATOM 1300 CG PRO A 86 -21.566 -39.671 24.351 1.00 2.58 C ATOM 1301 CD PRO A 86 -22.343 -38.720 23.481 1.00 2.43 C ATOM 0 HA PRO A 86 -19.824 -39.395 21.567 1.00 2.56 H new ATOM 0 HB2 PRO A 86 -19.810 -40.832 23.931 1.00 2.57 H new ATOM 0 HB3 PRO A 86 -19.545 -39.100 23.909 1.00 2.57 H new ATOM 0 HG2 PRO A 86 -22.099 -40.613 24.475 1.00 2.58 H new ATOM 0 HG3 PRO A 86 -21.415 -39.256 25.348 1.00 2.58 H new ATOM 0 HD2 PRO A 86 -23.419 -38.848 23.600 1.00 2.43 H new ATOM 0 HD3 PRO A 86 -22.118 -37.680 23.716 1.00 2.43 H new ATOM 1309 N GLU A 87 -22.037 -41.706 21.466 1.00 3.37 N ATOM 1310 CA GLU A 87 -22.304 -43.050 20.864 1.00 3.96 C ATOM 1311 C GLU A 87 -21.692 -43.112 19.462 1.00 4.13 C ATOM 1312 O GLU A 87 -21.172 -44.126 19.041 1.00 4.51 O ATOM 1313 CB GLU A 87 -23.832 -43.165 20.765 1.00 4.22 C ATOM 1314 CG GLU A 87 -24.468 -43.206 22.162 1.00 4.18 C ATOM 1315 CD GLU A 87 -24.959 -41.808 22.539 1.00 3.90 C ATOM 1316 OE1 GLU A 87 -24.151 -41.029 23.014 1.00 3.83 O ATOM 1317 OE2 GLU A 87 -26.128 -41.537 22.338 1.00 4.05 O ATOM 0 H GLU A 87 -22.868 -41.201 21.773 1.00 3.37 H new ATOM 0 HA GLU A 87 -21.875 -43.856 21.459 1.00 3.96 H new ATOM 0 HB2 GLU A 87 -24.229 -42.319 20.204 1.00 4.22 H new ATOM 0 HB3 GLU A 87 -24.098 -44.066 20.213 1.00 4.22 H new ATOM 0 HG2 GLU A 87 -25.299 -43.911 22.174 1.00 4.18 H new ATOM 0 HG3 GLU A 87 -23.741 -43.558 22.894 1.00 4.18 H new ATOM 1324 N VAL A 88 -21.758 -42.028 18.745 1.00 3.91 N ATOM 1325 CA VAL A 88 -21.189 -41.990 17.371 1.00 4.10 C ATOM 1326 C VAL A 88 -19.785 -41.352 17.396 1.00 3.66 C ATOM 1327 O VAL A 88 -18.972 -41.604 16.526 1.00 3.85 O ATOM 1328 CB VAL A 88 -22.185 -41.149 16.534 1.00 4.24 C ATOM 1329 CG1 VAL A 88 -23.615 -41.334 17.055 1.00 4.33 C ATOM 1330 CG2 VAL A 88 -21.825 -39.659 16.602 1.00 4.57 C ATOM 0 H VAL A 88 -22.187 -41.156 19.056 1.00 3.91 H new ATOM 0 HA VAL A 88 -21.066 -42.985 16.944 1.00 4.10 H new ATOM 0 HB VAL A 88 -22.123 -41.493 15.501 1.00 4.24 H new ATOM 0 HG11 VAL A 88 -24.301 -40.736 16.455 1.00 4.33 H new ATOM 0 HG12 VAL A 88 -23.894 -42.385 16.986 1.00 4.33 H new ATOM 0 HG13 VAL A 88 -23.668 -41.013 18.095 1.00 4.33 H new ATOM 0 HG21 VAL A 88 -22.536 -39.085 16.008 1.00 4.57 H new ATOM 0 HG22 VAL A 88 -21.863 -39.322 17.638 1.00 4.57 H new ATOM 0 HG23 VAL A 88 -20.820 -39.509 16.209 1.00 4.57 H new ATOM 1340 N HIS A 89 -19.502 -40.525 18.390 1.00 3.13 N ATOM 1341 CA HIS A 89 -18.157 -39.857 18.486 1.00 2.74 C ATOM 1342 C HIS A 89 -17.878 -39.042 17.211 1.00 2.63 C ATOM 1343 O HIS A 89 -18.784 -38.710 16.470 1.00 2.92 O ATOM 1344 CB HIS A 89 -17.141 -41.003 18.658 1.00 3.16 C ATOM 1345 CG HIS A 89 -16.628 -41.028 20.075 1.00 3.14 C ATOM 1346 ND1 HIS A 89 -17.423 -41.409 21.144 1.00 3.22 N ATOM 1347 CD2 HIS A 89 -15.398 -40.737 20.610 1.00 3.22 C ATOM 1348 CE1 HIS A 89 -16.666 -41.343 22.257 1.00 3.34 C ATOM 1349 NE2 HIS A 89 -15.424 -40.938 21.986 1.00 3.40 N ATOM 0 H HIS A 89 -20.151 -40.286 19.140 1.00 3.13 H new ATOM 0 HA HIS A 89 -18.100 -39.156 19.318 1.00 2.74 H new ATOM 0 HB2 HIS A 89 -17.611 -41.956 18.416 1.00 3.16 H new ATOM 0 HB3 HIS A 89 -16.311 -40.871 17.964 1.00 3.16 H new ATOM 0 HD1 HIS A 89 -18.403 -41.689 21.097 1.00 3.22 H new ATOM 0 HD2 HIS A 89 -14.539 -40.402 20.047 1.00 3.22 H new ATOM 0 HE1 HIS A 89 -17.021 -41.588 23.247 1.00 3.34 H new ATOM 1357 N GLY A 90 -16.642 -38.707 16.954 1.00 2.38 N ATOM 1358 CA GLY A 90 -16.328 -37.913 15.734 1.00 2.32 C ATOM 1359 C GLY A 90 -15.026 -37.154 15.944 1.00 2.08 C ATOM 1360 O GLY A 90 -13.981 -37.778 15.877 1.00 2.12 O ATOM 1361 OXT GLY A 90 -15.091 -35.956 16.174 1.00 2.15 O ATOM 0 H GLY A 90 -15.839 -38.949 17.535 1.00 2.38 H new ATOM 0 HA2 GLY A 90 -16.242 -38.572 14.870 1.00 2.32 H new ATOM 0 HA3 GLY A 90 -17.138 -37.215 15.523 1.00 2.32 H new TER 1365 GLY A 90