USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 567 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 50 ASN : amide:sc= -1.5 K(o=-1.7,f=-2.4!) USER MOD Set 1.2: A 87 ASN : amide:sc= -0.25 K(o=-1.7,f=-4.2!) USER MOD Set 1.3: A 89 ASN : amide:sc= 0.0772 K(o=-1.7,f=-2.9) USER MOD Set 2.1: A 17 TYR OH : rot -65:sc= 0.0126 USER MOD Set 2.2: A 66 ASN : amide:sc= -3.04 K(o=-3,f=-2.3) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0363 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.123 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 5:sc= 0.975 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0651 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.514 X(o=-0.51,f=-0.15) USER MOD Single : A 41 THR OG1 : rot -160:sc= -3.26! USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -1.31 K(o=-1.3,f=-3.7!) USER MOD Single : A 53 LYS NZ :NH3+ 143:sc= -0.411 (180deg=-0.538) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -3.15 K(o=-3.2,f=-5.2!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.123 K(o=-0.12,f=-2.1!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -160:sc= -1.1 USER MOD Single : A 90 THR OG1 : rot -82:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 11 N ILE A 2 3.420 -2.310 -2.757 1.00 74.25 N ATOM 12 CA ILE A 2 3.796 -3.504 -3.504 1.00 24.45 C ATOM 13 C ILE A 2 5.063 -3.266 -4.319 1.00 72.40 C ATOM 14 O ILE A 2 5.672 -2.200 -4.241 1.00 43.21 O ATOM 15 CB ILE A 2 2.668 -3.957 -4.449 1.00 10.01 C ATOM 16 CG1 ILE A 2 2.473 -2.936 -5.572 1.00 4.23 C ATOM 17 CG2 ILE A 2 1.374 -4.153 -3.673 1.00 52.34 C ATOM 18 CD1 ILE A 2 1.381 -3.312 -6.548 1.00 13.13 C ATOM 0 HA ILE A 2 3.980 -4.289 -2.771 1.00 24.45 H new ATOM 0 HB ILE A 2 2.949 -4.911 -4.896 1.00 10.01 H new ATOM 0 HG12 ILE A 2 2.239 -1.966 -5.133 1.00 4.23 H new ATOM 0 HG13 ILE A 2 3.411 -2.822 -6.115 1.00 4.23 H new ATOM 0 HG21 ILE A 2 0.586 -4.473 -4.355 1.00 52.34 H new ATOM 0 HG22 ILE A 2 1.521 -4.913 -2.906 1.00 52.34 H new ATOM 0 HG23 ILE A 2 1.086 -3.213 -3.202 1.00 52.34 H new ATOM 0 HD11 ILE A 2 1.299 -2.543 -7.316 1.00 13.13 H new ATOM 0 HD12 ILE A 2 1.623 -4.267 -7.015 1.00 13.13 H new ATOM 0 HD13 ILE A 2 0.433 -3.397 -6.018 1.00 13.13 H new ATOM 30 N SER A 3 5.452 -4.267 -5.103 1.00 2.23 N ATOM 31 CA SER A 3 6.647 -4.168 -5.932 1.00 44.51 C ATOM 32 C SER A 3 6.277 -4.056 -7.408 1.00 11.31 C ATOM 33 O SER A 3 5.768 -5.004 -8.006 1.00 62.20 O ATOM 34 CB SER A 3 7.549 -5.384 -5.712 1.00 3.53 C ATOM 35 OG SER A 3 7.872 -5.537 -4.341 1.00 22.25 O ATOM 0 H SER A 3 4.957 -5.155 -5.181 1.00 2.23 H new ATOM 0 HA SER A 3 7.187 -3.267 -5.641 1.00 44.51 H new ATOM 0 HB2 SER A 3 7.049 -6.282 -6.074 1.00 3.53 H new ATOM 0 HB3 SER A 3 8.464 -5.273 -6.294 1.00 3.53 H new ATOM 0 HG SER A 3 8.448 -6.322 -4.226 1.00 22.25 H new ATOM 41 N CYS A 4 6.536 -2.889 -7.990 1.00 33.35 N ATOM 42 CA CYS A 4 6.230 -2.651 -9.395 1.00 10.41 C ATOM 43 C CYS A 4 6.818 -3.751 -10.274 1.00 1.40 C ATOM 44 O CYS A 4 6.276 -4.072 -11.330 1.00 73.32 O ATOM 45 CB CYS A 4 6.772 -1.288 -9.832 1.00 63.51 C ATOM 46 SG CYS A 4 6.098 -0.693 -11.416 1.00 61.54 S ATOM 0 H CYS A 4 6.957 -2.094 -7.510 1.00 33.35 H new ATOM 0 HA CYS A 4 5.146 -2.658 -9.512 1.00 10.41 H new ATOM 0 HB2 CYS A 4 6.550 -0.555 -9.057 1.00 63.51 H new ATOM 0 HB3 CYS A 4 7.857 -1.349 -9.911 1.00 63.51 H new ATOM 51 N GLY A 5 7.932 -4.324 -9.829 1.00 21.21 N ATOM 52 CA GLY A 5 8.576 -5.382 -10.586 1.00 54.33 C ATOM 53 C GLY A 5 7.723 -6.632 -10.676 1.00 2.11 C ATOM 54 O GLY A 5 7.779 -7.360 -11.667 1.00 1.52 O ATOM 0 H GLY A 5 8.400 -4.075 -8.958 1.00 21.21 H new ATOM 0 HA2 GLY A 5 8.796 -5.023 -11.591 1.00 54.33 H new ATOM 0 HA3 GLY A 5 9.530 -5.629 -10.120 1.00 54.33 H new ATOM 58 N ALA A 6 6.933 -6.883 -9.637 1.00 70.03 N ATOM 59 CA ALA A 6 6.065 -8.054 -9.603 1.00 42.32 C ATOM 60 C ALA A 6 4.748 -7.782 -10.322 1.00 42.12 C ATOM 61 O ALA A 6 3.998 -8.706 -10.635 1.00 71.42 O ATOM 62 CB ALA A 6 5.806 -8.477 -8.165 1.00 1.21 C ATOM 0 H ALA A 6 6.876 -6.291 -8.808 1.00 70.03 H new ATOM 0 HA ALA A 6 6.572 -8.867 -10.124 1.00 42.32 H new ATOM 0 HB1 ALA A 6 5.157 -9.352 -8.155 1.00 1.21 H new ATOM 0 HB2 ALA A 6 6.752 -8.721 -7.682 1.00 1.21 H new ATOM 0 HB3 ALA A 6 5.324 -7.661 -7.627 1.00 1.21 H new ATOM 68 N VAL A 7 4.472 -6.508 -10.581 1.00 4.52 N ATOM 69 CA VAL A 7 3.246 -6.114 -11.263 1.00 74.14 C ATOM 70 C VAL A 7 3.299 -6.478 -12.743 1.00 1.30 C ATOM 71 O VAL A 7 2.373 -7.089 -13.278 1.00 45.10 O ATOM 72 CB VAL A 7 2.988 -4.602 -11.127 1.00 15.23 C ATOM 73 CG1 VAL A 7 1.680 -4.220 -11.803 1.00 52.11 C ATOM 74 CG2 VAL A 7 2.978 -4.194 -9.661 1.00 44.33 C ATOM 0 H VAL A 7 5.082 -5.731 -10.328 1.00 4.52 H new ATOM 0 HA VAL A 7 2.431 -6.658 -10.786 1.00 74.14 H new ATOM 0 HB VAL A 7 3.796 -4.067 -11.625 1.00 15.23 H new ATOM 0 HG11 VAL A 7 1.515 -3.148 -11.696 1.00 52.11 H new ATOM 0 HG12 VAL A 7 1.729 -4.476 -12.861 1.00 52.11 H new ATOM 0 HG13 VAL A 7 0.857 -4.762 -11.336 1.00 52.11 H new ATOM 0 HG21 VAL A 7 2.794 -3.122 -9.583 1.00 44.33 H new ATOM 0 HG22 VAL A 7 2.190 -4.736 -9.138 1.00 44.33 H new ATOM 0 HG23 VAL A 7 3.942 -4.431 -9.211 1.00 44.33 H new ATOM 84 N THR A 8 4.390 -6.098 -13.401 1.00 62.20 N ATOM 85 CA THR A 8 4.565 -6.383 -14.820 1.00 22.45 C ATOM 86 C THR A 8 4.919 -7.849 -15.046 1.00 54.22 C ATOM 87 O THR A 8 4.375 -8.497 -15.940 1.00 70.23 O ATOM 88 CB THR A 8 5.665 -5.500 -15.439 1.00 31.24 C ATOM 89 OG1 THR A 8 6.917 -5.752 -14.792 1.00 65.32 O ATOM 90 CG2 THR A 8 5.311 -4.026 -15.312 1.00 35.23 C ATOM 0 H THR A 8 5.166 -5.592 -12.974 1.00 62.20 H new ATOM 0 HA THR A 8 3.615 -6.162 -15.307 1.00 22.45 H new ATOM 0 HB THR A 8 5.747 -5.748 -16.497 1.00 31.24 H new ATOM 0 HG1 THR A 8 7.611 -5.188 -15.192 1.00 65.32 H new ATOM 0 HG21 THR A 8 6.102 -3.422 -15.756 1.00 35.23 H new ATOM 0 HG22 THR A 8 4.372 -3.831 -15.830 1.00 35.23 H new ATOM 0 HG23 THR A 8 5.205 -3.767 -14.259 1.00 35.23 H new ATOM 98 N SER A 9 5.832 -8.366 -14.231 1.00 1.54 N ATOM 99 CA SER A 9 6.260 -9.755 -14.345 1.00 3.24 C ATOM 100 C SER A 9 5.061 -10.697 -14.315 1.00 31.22 C ATOM 101 O SER A 9 4.990 -11.654 -15.086 1.00 23.53 O ATOM 102 CB SER A 9 7.228 -10.107 -13.213 1.00 40.21 C ATOM 103 OG SER A 9 8.125 -11.130 -13.609 1.00 43.41 O ATOM 0 H SER A 9 6.290 -7.844 -13.484 1.00 1.54 H new ATOM 0 HA SER A 9 6.770 -9.875 -15.301 1.00 3.24 H new ATOM 0 HB2 SER A 9 7.790 -9.219 -12.921 1.00 40.21 H new ATOM 0 HB3 SER A 9 6.666 -10.431 -12.337 1.00 40.21 H new ATOM 0 HG SER A 9 8.734 -11.336 -12.869 1.00 43.41 H new ATOM 109 N ASP A 10 4.120 -10.419 -13.419 1.00 51.44 N ATOM 110 CA ASP A 10 2.922 -11.240 -13.288 1.00 50.25 C ATOM 111 C ASP A 10 2.169 -11.317 -14.613 1.00 33.12 C ATOM 112 O ASP A 10 1.413 -12.259 -14.856 1.00 23.34 O ATOM 113 CB ASP A 10 2.008 -10.676 -12.200 1.00 12.14 C ATOM 114 CG ASP A 10 2.475 -11.042 -10.805 1.00 2.44 C ATOM 115 OD1 ASP A 10 1.836 -10.596 -9.828 1.00 50.04 O ATOM 116 OD2 ASP A 10 3.480 -11.774 -10.689 1.00 12.01 O ATOM 0 H ASP A 10 4.164 -9.631 -12.773 1.00 51.44 H new ATOM 0 HA ASP A 10 3.230 -12.247 -13.006 1.00 50.25 H new ATOM 0 HB2 ASP A 10 1.965 -9.591 -12.292 1.00 12.14 H new ATOM 0 HB3 ASP A 10 0.995 -11.050 -12.351 1.00 12.14 H new ATOM 121 N LEU A 11 2.378 -10.320 -15.466 1.00 22.44 N ATOM 122 CA LEU A 11 1.718 -10.274 -16.766 1.00 21.42 C ATOM 123 C LEU A 11 2.669 -10.714 -17.875 1.00 13.32 C ATOM 124 O LEU A 11 2.438 -10.433 -19.051 1.00 5.51 O ATOM 125 CB LEU A 11 1.204 -8.862 -17.049 1.00 12.10 C ATOM 126 CG LEU A 11 -0.046 -8.436 -16.278 1.00 52.33 C ATOM 127 CD1 LEU A 11 -0.541 -7.084 -16.770 1.00 34.41 C ATOM 128 CD2 LEU A 11 -1.139 -9.487 -16.411 1.00 3.41 C ATOM 0 H LEU A 11 2.999 -9.533 -15.281 1.00 22.44 H new ATOM 0 HA LEU A 11 0.874 -10.963 -16.742 1.00 21.42 H new ATOM 0 HB2 LEU A 11 2.003 -8.155 -16.826 1.00 12.10 H new ATOM 0 HB3 LEU A 11 0.994 -8.780 -18.115 1.00 12.10 H new ATOM 0 HG LEU A 11 0.214 -8.343 -15.224 1.00 52.33 H new ATOM 0 HD11 LEU A 11 -1.431 -6.797 -16.210 1.00 34.41 H new ATOM 0 HD12 LEU A 11 0.238 -6.336 -16.622 1.00 34.41 H new ATOM 0 HD13 LEU A 11 -0.785 -7.150 -17.830 1.00 34.41 H new ATOM 0 HD21 LEU A 11 -2.021 -9.167 -15.856 1.00 3.41 H new ATOM 0 HD22 LEU A 11 -1.398 -9.612 -17.462 1.00 3.41 H new ATOM 0 HD23 LEU A 11 -0.782 -10.436 -16.010 1.00 3.41 H new ATOM 140 N SER A 12 3.737 -11.407 -17.492 1.00 55.40 N ATOM 141 CA SER A 12 4.723 -11.884 -18.454 1.00 2.21 C ATOM 142 C SER A 12 4.061 -12.729 -19.538 1.00 13.22 C ATOM 143 O SER A 12 4.113 -12.412 -20.726 1.00 62.24 O ATOM 144 CB SER A 12 5.805 -12.701 -17.744 1.00 53.23 C ATOM 145 OG SER A 12 6.219 -13.798 -18.539 1.00 72.24 O ATOM 0 H SER A 12 3.941 -11.650 -16.523 1.00 55.40 H new ATOM 0 HA SER A 12 5.183 -11.016 -18.926 1.00 2.21 H new ATOM 0 HB2 SER A 12 6.661 -12.063 -17.524 1.00 53.23 H new ATOM 0 HB3 SER A 12 5.424 -13.063 -16.789 1.00 53.23 H new ATOM 0 HG SER A 12 6.912 -14.303 -18.064 1.00 72.24 H new ATOM 151 N PRO A 13 3.421 -13.831 -19.119 1.00 64.23 N ATOM 152 CA PRO A 13 2.735 -14.745 -20.037 1.00 65.15 C ATOM 153 C PRO A 13 1.479 -14.126 -20.640 1.00 72.41 C ATOM 154 O PRO A 13 0.873 -14.689 -21.553 1.00 24.43 O ATOM 155 CB PRO A 13 2.371 -15.935 -19.147 1.00 21.43 C ATOM 156 CG PRO A 13 2.294 -15.369 -17.771 1.00 30.41 C ATOM 157 CD PRO A 13 3.318 -14.270 -17.717 1.00 45.04 C ATOM 0 HA PRO A 13 3.359 -15.010 -20.891 1.00 65.15 H new ATOM 0 HB2 PRO A 13 1.421 -16.378 -19.447 1.00 21.43 H new ATOM 0 HB3 PRO A 13 3.123 -16.721 -19.210 1.00 21.43 H new ATOM 0 HG2 PRO A 13 1.296 -14.983 -17.563 1.00 30.41 H new ATOM 0 HG3 PRO A 13 2.502 -16.133 -17.022 1.00 30.41 H new ATOM 0 HD2 PRO A 13 3.001 -13.457 -17.064 1.00 45.04 H new ATOM 0 HD3 PRO A 13 4.274 -14.630 -17.337 1.00 45.04 H new ATOM 165 N CYS A 14 1.091 -12.964 -20.125 1.00 24.53 N ATOM 166 CA CYS A 14 -0.093 -12.268 -20.612 1.00 34.45 C ATOM 167 C CYS A 14 0.275 -11.263 -21.699 1.00 73.20 C ATOM 168 O CYS A 14 -0.512 -11.001 -22.610 1.00 61.51 O ATOM 169 CB CYS A 14 -0.800 -11.553 -19.458 1.00 71.05 C ATOM 170 SG CYS A 14 -1.367 -12.664 -18.130 1.00 53.45 S ATOM 0 H CYS A 14 1.580 -12.484 -19.369 1.00 24.53 H new ATOM 0 HA CYS A 14 -0.769 -13.008 -21.041 1.00 34.45 H new ATOM 0 HB2 CYS A 14 -0.122 -10.813 -19.033 1.00 71.05 H new ATOM 0 HB3 CYS A 14 -1.658 -11.009 -19.853 1.00 71.05 H new ATOM 175 N LEU A 15 1.475 -10.703 -21.597 1.00 70.22 N ATOM 176 CA LEU A 15 1.949 -9.727 -22.572 1.00 12.41 C ATOM 177 C LEU A 15 1.640 -10.183 -23.994 1.00 64.12 C ATOM 178 O LEU A 15 1.242 -9.384 -24.842 1.00 72.03 O ATOM 179 CB LEU A 15 3.454 -9.504 -22.410 1.00 74.33 C ATOM 180 CG LEU A 15 3.991 -8.162 -22.907 1.00 51.23 C ATOM 181 CD1 LEU A 15 3.236 -7.012 -22.259 1.00 51.32 C ATOM 182 CD2 LEU A 15 5.482 -8.048 -22.628 1.00 4.22 C ATOM 0 H LEU A 15 2.138 -10.908 -20.849 1.00 70.22 H new ATOM 0 HA LEU A 15 1.428 -8.787 -22.391 1.00 12.41 H new ATOM 0 HB2 LEU A 15 3.704 -9.604 -21.354 1.00 74.33 H new ATOM 0 HB3 LEU A 15 3.978 -10.300 -22.938 1.00 74.33 H new ATOM 0 HG LEU A 15 3.838 -8.108 -23.985 1.00 51.23 H new ATOM 0 HD11 LEU A 15 3.632 -6.065 -22.625 1.00 51.32 H new ATOM 0 HD12 LEU A 15 2.178 -7.084 -22.510 1.00 51.32 H new ATOM 0 HD13 LEU A 15 3.356 -7.062 -21.177 1.00 51.32 H new ATOM 0 HD21 LEU A 15 5.847 -7.086 -22.989 1.00 4.22 H new ATOM 0 HD22 LEU A 15 5.658 -8.124 -21.555 1.00 4.22 H new ATOM 0 HD23 LEU A 15 6.011 -8.852 -23.140 1.00 4.22 H new ATOM 194 N THR A 16 1.826 -11.475 -24.249 1.00 54.20 N ATOM 195 CA THR A 16 1.566 -12.038 -25.568 1.00 24.52 C ATOM 196 C THR A 16 0.145 -11.733 -26.027 1.00 3.13 C ATOM 197 O THR A 16 -0.060 -11.059 -27.037 1.00 20.05 O ATOM 198 CB THR A 16 1.781 -13.564 -25.579 1.00 14.23 C ATOM 199 OG1 THR A 16 3.147 -13.869 -25.280 1.00 44.22 O ATOM 200 CG2 THR A 16 1.408 -14.153 -26.931 1.00 11.11 C ATOM 0 H THR A 16 2.156 -12.150 -23.559 1.00 54.20 H new ATOM 0 HA THR A 16 2.273 -11.573 -26.255 1.00 24.52 H new ATOM 0 HB THR A 16 1.137 -14.005 -24.818 1.00 14.23 H new ATOM 0 HG1 THR A 16 3.274 -14.841 -25.287 1.00 44.22 H new ATOM 0 HG21 THR A 16 1.568 -15.231 -26.915 1.00 11.11 H new ATOM 0 HG22 THR A 16 0.359 -13.945 -27.142 1.00 11.11 H new ATOM 0 HG23 THR A 16 2.029 -13.706 -27.707 1.00 11.11 H new ATOM 208 N TYR A 17 -0.833 -12.232 -25.279 1.00 42.21 N ATOM 209 CA TYR A 17 -2.236 -12.013 -25.611 1.00 22.22 C ATOM 210 C TYR A 17 -2.589 -10.531 -25.533 1.00 74.15 C ATOM 211 O TYR A 17 -3.413 -10.036 -26.304 1.00 44.14 O ATOM 212 CB TYR A 17 -3.135 -12.813 -24.667 1.00 72.42 C ATOM 213 CG TYR A 17 -4.591 -12.411 -24.732 1.00 11.42 C ATOM 214 CD1 TYR A 17 -5.364 -12.702 -25.849 1.00 61.53 C ATOM 215 CD2 TYR A 17 -5.194 -11.737 -23.676 1.00 62.54 C ATOM 216 CE1 TYR A 17 -6.694 -12.336 -25.913 1.00 53.12 C ATOM 217 CE2 TYR A 17 -6.524 -11.368 -23.731 1.00 61.41 C ATOM 218 CZ TYR A 17 -7.270 -11.670 -24.852 1.00 2.55 C ATOM 219 OH TYR A 17 -8.595 -11.302 -24.910 1.00 64.24 O ATOM 0 H TYR A 17 -0.680 -12.791 -24.439 1.00 42.21 H new ATOM 0 HA TYR A 17 -2.399 -12.353 -26.634 1.00 22.22 H new ATOM 0 HB2 TYR A 17 -3.048 -13.873 -24.907 1.00 72.42 H new ATOM 0 HB3 TYR A 17 -2.777 -12.688 -23.645 1.00 72.42 H new ATOM 0 HD1 TYR A 17 -4.917 -13.224 -26.682 1.00 61.53 H new ATOM 0 HD2 TYR A 17 -4.613 -11.498 -22.798 1.00 62.54 H new ATOM 0 HE1 TYR A 17 -7.280 -12.570 -26.790 1.00 53.12 H new ATOM 0 HE2 TYR A 17 -6.977 -10.846 -22.901 1.00 61.41 H new ATOM 0 HH TYR A 17 -8.720 -10.642 -25.624 1.00 64.24 H new ATOM 229 N LEU A 18 -1.961 -9.828 -24.598 1.00 1.01 N ATOM 230 CA LEU A 18 -2.207 -8.401 -24.418 1.00 71.35 C ATOM 231 C LEU A 18 -1.659 -7.602 -25.596 1.00 4.30 C ATOM 232 O LEU A 18 -2.117 -6.494 -25.876 1.00 53.42 O ATOM 233 CB LEU A 18 -1.571 -7.914 -23.116 1.00 3.23 C ATOM 234 CG LEU A 18 -2.188 -8.452 -21.825 1.00 32.14 C ATOM 235 CD1 LEU A 18 -1.550 -7.793 -20.612 1.00 44.20 C ATOM 236 CD2 LEU A 18 -3.694 -8.233 -21.822 1.00 11.02 C ATOM 0 H LEU A 18 -1.277 -10.222 -23.952 1.00 1.01 H new ATOM 0 HA LEU A 18 -3.285 -8.246 -24.368 1.00 71.35 H new ATOM 0 HB2 LEU A 18 -0.514 -8.182 -23.129 1.00 3.23 H new ATOM 0 HB3 LEU A 18 -1.624 -6.826 -23.094 1.00 3.23 H new ATOM 0 HG LEU A 18 -1.996 -9.524 -21.773 1.00 32.14 H new ATOM 0 HD11 LEU A 18 -2.002 -8.189 -19.703 1.00 44.20 H new ATOM 0 HD12 LEU A 18 -0.480 -8.001 -20.605 1.00 44.20 H new ATOM 0 HD13 LEU A 18 -1.710 -6.716 -20.657 1.00 44.20 H new ATOM 0 HD21 LEU A 18 -4.116 -8.622 -20.896 1.00 11.02 H new ATOM 0 HD22 LEU A 18 -3.907 -7.167 -21.898 1.00 11.02 H new ATOM 0 HD23 LEU A 18 -4.139 -8.753 -22.670 1.00 11.02 H new ATOM 248 N THR A 19 -0.675 -8.172 -26.285 1.00 3.31 N ATOM 249 CA THR A 19 -0.064 -7.513 -27.433 1.00 33.32 C ATOM 250 C THR A 19 -0.706 -7.974 -28.736 1.00 52.14 C ATOM 251 O THR A 19 -0.095 -7.898 -29.801 1.00 60.34 O ATOM 252 CB THR A 19 1.451 -7.784 -27.496 1.00 33.50 C ATOM 253 OG1 THR A 19 1.698 -9.194 -27.461 1.00 71.52 O ATOM 254 CG2 THR A 19 2.170 -7.110 -26.338 1.00 0.32 C ATOM 0 H THR A 19 -0.284 -9.089 -26.068 1.00 3.31 H new ATOM 0 HA THR A 19 -0.229 -6.443 -27.308 1.00 33.32 H new ATOM 0 HB THR A 19 1.833 -7.371 -28.430 1.00 33.50 H new ATOM 0 HG1 THR A 19 0.845 -9.676 -27.490 1.00 71.52 H new ATOM 0 HG21 THR A 19 3.238 -7.316 -26.404 1.00 0.32 H new ATOM 0 HG22 THR A 19 2.004 -6.034 -26.384 1.00 0.32 H new ATOM 0 HG23 THR A 19 1.784 -7.497 -25.395 1.00 0.32 H new ATOM 262 N GLY A 20 -1.944 -8.451 -28.645 1.00 61.31 N ATOM 263 CA GLY A 20 -2.648 -8.917 -29.825 1.00 54.34 C ATOM 264 C GLY A 20 -2.510 -10.412 -30.032 1.00 4.04 C ATOM 265 O GLY A 20 -3.233 -11.005 -30.830 1.00 61.45 O ATOM 0 H GLY A 20 -2.472 -8.523 -27.775 1.00 61.31 H new ATOM 0 HA2 GLY A 20 -3.704 -8.662 -29.738 1.00 54.34 H new ATOM 0 HA3 GLY A 20 -2.265 -8.395 -30.702 1.00 54.34 H new ATOM 269 N GLY A 21 -1.575 -11.023 -29.310 1.00 32.34 N ATOM 270 CA GLY A 21 -1.360 -12.453 -29.433 1.00 65.12 C ATOM 271 C GLY A 21 -2.567 -13.261 -29.002 1.00 33.03 C ATOM 272 O GLY A 21 -3.568 -12.719 -28.532 1.00 2.03 O ATOM 0 H GLY A 21 -0.963 -10.553 -28.643 1.00 32.34 H new ATOM 0 HA2 GLY A 21 -1.117 -12.693 -30.468 1.00 65.12 H new ATOM 0 HA3 GLY A 21 -0.500 -12.741 -28.829 1.00 65.12 H new ATOM 276 N PRO A 22 -2.483 -14.590 -29.162 1.00 72.04 N ATOM 277 CA PRO A 22 -3.570 -15.502 -28.793 1.00 64.31 C ATOM 278 C PRO A 22 -3.758 -15.598 -27.283 1.00 21.31 C ATOM 279 O PRO A 22 -2.800 -15.483 -26.520 1.00 10.24 O ATOM 280 CB PRO A 22 -3.112 -16.848 -29.361 1.00 44.24 C ATOM 281 CG PRO A 22 -1.626 -16.747 -29.423 1.00 35.22 C ATOM 282 CD PRO A 22 -1.321 -15.304 -29.716 1.00 61.54 C ATOM 0 HA PRO A 22 -4.533 -15.166 -29.179 1.00 64.31 H new ATOM 0 HB2 PRO A 22 -3.426 -17.674 -28.724 1.00 44.24 H new ATOM 0 HB3 PRO A 22 -3.538 -17.027 -30.348 1.00 44.24 H new ATOM 0 HG2 PRO A 22 -1.174 -17.058 -28.481 1.00 35.22 H new ATOM 0 HG3 PRO A 22 -1.223 -17.397 -30.200 1.00 35.22 H new ATOM 0 HD2 PRO A 22 -0.392 -14.986 -29.244 1.00 61.54 H new ATOM 0 HD3 PRO A 22 -1.212 -15.126 -30.786 1.00 61.54 H new ATOM 290 N GLY A 23 -5.000 -15.811 -26.858 1.00 42.11 N ATOM 291 CA GLY A 23 -5.291 -15.919 -25.440 1.00 64.14 C ATOM 292 C GLY A 23 -6.682 -15.427 -25.095 1.00 20.13 C ATOM 293 O GLY A 23 -7.553 -15.306 -25.957 1.00 22.14 O ATOM 0 H GLY A 23 -5.810 -15.911 -27.470 1.00 42.11 H new ATOM 0 HA2 GLY A 23 -5.189 -16.959 -25.130 1.00 64.14 H new ATOM 0 HA3 GLY A 23 -4.556 -15.345 -24.877 1.00 64.14 H new ATOM 297 N PRO A 24 -6.907 -15.135 -23.805 1.00 73.50 N ATOM 298 CA PRO A 24 -5.879 -15.276 -22.770 1.00 64.32 C ATOM 299 C PRO A 24 -5.541 -16.735 -22.483 1.00 33.32 C ATOM 300 O PRO A 24 -6.425 -17.541 -22.193 1.00 75.34 O ATOM 301 CB PRO A 24 -6.519 -14.624 -21.542 1.00 41.45 C ATOM 302 CG PRO A 24 -7.986 -14.746 -21.770 1.00 50.13 C ATOM 303 CD PRO A 24 -8.184 -14.646 -23.258 1.00 22.44 C ATOM 0 HA PRO A 24 -4.935 -14.819 -23.069 1.00 64.32 H new ATOM 0 HB2 PRO A 24 -6.218 -15.128 -20.624 1.00 41.45 H new ATOM 0 HB3 PRO A 24 -6.219 -13.581 -21.446 1.00 41.45 H new ATOM 0 HG2 PRO A 24 -8.362 -15.695 -21.389 1.00 50.13 H new ATOM 0 HG3 PRO A 24 -8.529 -13.956 -21.250 1.00 50.13 H new ATOM 0 HD2 PRO A 24 -9.024 -15.254 -23.593 1.00 22.44 H new ATOM 0 HD3 PRO A 24 -8.388 -13.621 -23.568 1.00 22.44 H new ATOM 311 N SER A 25 -4.257 -17.068 -22.564 1.00 70.12 N ATOM 312 CA SER A 25 -3.803 -18.432 -22.316 1.00 15.41 C ATOM 313 C SER A 25 -4.069 -18.838 -20.870 1.00 15.35 C ATOM 314 O SER A 25 -4.327 -18.004 -20.001 1.00 3.10 O ATOM 315 CB SER A 25 -2.311 -18.560 -22.627 1.00 51.14 C ATOM 316 OG SER A 25 -1.642 -17.326 -22.434 1.00 41.22 O ATOM 0 H SER A 25 -3.512 -16.412 -22.799 1.00 70.12 H new ATOM 0 HA SER A 25 -4.362 -19.100 -22.972 1.00 15.41 H new ATOM 0 HB2 SER A 25 -1.867 -19.322 -21.986 1.00 51.14 H new ATOM 0 HB3 SER A 25 -2.178 -18.892 -23.657 1.00 51.14 H new ATOM 0 HG SER A 25 -0.690 -17.435 -22.638 1.00 41.22 H new ATOM 322 N PRO A 26 -4.006 -20.151 -20.603 1.00 54.25 N ATOM 323 CA PRO A 26 -4.237 -20.699 -19.264 1.00 2.05 C ATOM 324 C PRO A 26 -3.114 -20.349 -18.293 1.00 50.30 C ATOM 325 O PRO A 26 -3.341 -20.215 -17.091 1.00 24.02 O ATOM 326 CB PRO A 26 -4.285 -22.210 -19.502 1.00 74.20 C ATOM 327 CG PRO A 26 -3.487 -22.424 -20.742 1.00 14.13 C ATOM 328 CD PRO A 26 -3.705 -21.202 -21.590 1.00 42.41 C ATOM 0 HA PRO A 26 -5.142 -20.296 -18.810 1.00 2.05 H new ATOM 0 HB2 PRO A 26 -3.862 -22.757 -18.660 1.00 74.20 H new ATOM 0 HB3 PRO A 26 -5.310 -22.559 -19.626 1.00 74.20 H new ATOM 0 HG2 PRO A 26 -2.430 -22.554 -20.509 1.00 14.13 H new ATOM 0 HG3 PRO A 26 -3.811 -23.324 -21.264 1.00 14.13 H new ATOM 0 HD2 PRO A 26 -2.821 -20.959 -22.179 1.00 42.41 H new ATOM 0 HD3 PRO A 26 -4.527 -21.341 -22.292 1.00 42.41 H new ATOM 336 N GLN A 27 -1.904 -20.201 -18.823 1.00 72.22 N ATOM 337 CA GLN A 27 -0.747 -19.867 -18.002 1.00 44.53 C ATOM 338 C GLN A 27 -0.757 -18.389 -17.623 1.00 61.41 C ATOM 339 O GLN A 27 -0.238 -18.003 -16.575 1.00 51.13 O ATOM 340 CB GLN A 27 0.547 -20.206 -18.745 1.00 50.51 C ATOM 341 CG GLN A 27 0.627 -21.654 -19.198 1.00 74.41 C ATOM 342 CD GLN A 27 1.830 -21.925 -20.079 1.00 25.22 C ATOM 343 OE1 GLN A 27 2.967 -21.636 -19.703 1.00 12.41 O ATOM 344 NE2 GLN A 27 1.588 -22.484 -21.259 1.00 15.14 N ATOM 0 H GLN A 27 -1.700 -20.307 -19.817 1.00 72.22 H new ATOM 0 HA GLN A 27 -0.799 -20.458 -17.088 1.00 44.53 H new ATOM 0 HB2 GLN A 27 0.637 -19.556 -19.616 1.00 50.51 H new ATOM 0 HB3 GLN A 27 1.396 -19.990 -18.096 1.00 50.51 H new ATOM 0 HG2 GLN A 27 0.669 -22.302 -18.323 1.00 74.41 H new ATOM 0 HG3 GLN A 27 -0.282 -21.911 -19.742 1.00 74.41 H new ATOM 0 HE21 GLN A 27 0.631 -22.707 -21.531 1.00 15.14 H new ATOM 0 HE22 GLN A 27 2.360 -22.690 -21.893 1.00 15.14 H new ATOM 353 N CYS A 28 -1.351 -17.567 -18.482 1.00 25.31 N ATOM 354 CA CYS A 28 -1.428 -16.132 -18.238 1.00 72.02 C ATOM 355 C CYS A 28 -2.426 -15.822 -17.126 1.00 22.32 C ATOM 356 O CYS A 28 -2.111 -15.104 -16.176 1.00 60.05 O ATOM 357 CB CYS A 28 -1.831 -15.397 -19.518 1.00 62.34 C ATOM 358 SG CYS A 28 -2.720 -13.834 -19.230 1.00 51.20 S ATOM 0 H CYS A 28 -1.786 -17.871 -19.353 1.00 25.31 H new ATOM 0 HA CYS A 28 -0.442 -15.789 -17.924 1.00 72.02 H new ATOM 0 HB2 CYS A 28 -0.935 -15.190 -20.103 1.00 62.34 H new ATOM 0 HB3 CYS A 28 -2.459 -16.054 -20.119 1.00 62.34 H new ATOM 363 N CYS A 29 -3.630 -16.369 -17.250 1.00 34.42 N ATOM 364 CA CYS A 29 -4.675 -16.153 -16.257 1.00 13.35 C ATOM 365 C CYS A 29 -4.155 -16.434 -14.850 1.00 10.43 C ATOM 366 O CYS A 29 -4.550 -15.776 -13.888 1.00 23.23 O ATOM 367 CB CYS A 29 -5.883 -17.044 -16.553 1.00 62.20 C ATOM 368 SG CYS A 29 -6.946 -16.432 -17.900 1.00 30.13 S ATOM 0 H CYS A 29 -3.907 -16.966 -18.029 1.00 34.42 H new ATOM 0 HA CYS A 29 -4.981 -15.108 -16.311 1.00 13.35 H new ATOM 0 HB2 CYS A 29 -5.530 -18.043 -16.808 1.00 62.20 H new ATOM 0 HB3 CYS A 29 -6.481 -17.139 -15.647 1.00 62.20 H new ATOM 373 N GLY A 30 -3.266 -17.416 -14.739 1.00 4.34 N ATOM 374 CA GLY A 30 -2.705 -17.767 -13.447 1.00 15.44 C ATOM 375 C GLY A 30 -2.079 -16.578 -12.744 1.00 62.43 C ATOM 376 O GLY A 30 -2.264 -16.390 -11.543 1.00 21.22 O ATOM 0 H GLY A 30 -2.924 -17.975 -15.521 1.00 4.34 H new ATOM 0 HA2 GLY A 30 -3.488 -18.187 -12.816 1.00 15.44 H new ATOM 0 HA3 GLY A 30 -1.952 -18.544 -13.580 1.00 15.44 H new ATOM 380 N GLY A 31 -1.333 -15.774 -13.496 1.00 23.40 N ATOM 381 CA GLY A 31 -0.686 -14.609 -12.920 1.00 73.55 C ATOM 382 C GLY A 31 -1.659 -13.476 -12.660 1.00 63.13 C ATOM 383 O GLY A 31 -1.572 -12.796 -11.638 1.00 23.02 O ATOM 0 H GLY A 31 -1.165 -15.908 -14.493 1.00 23.40 H new ATOM 0 HA2 GLY A 31 -0.203 -14.891 -11.985 1.00 73.55 H new ATOM 0 HA3 GLY A 31 0.099 -14.263 -13.593 1.00 73.55 H new ATOM 387 N VAL A 32 -2.588 -13.270 -13.589 1.00 25.42 N ATOM 388 CA VAL A 32 -3.580 -12.211 -13.455 1.00 53.04 C ATOM 389 C VAL A 32 -4.285 -12.285 -12.105 1.00 43.44 C ATOM 390 O VAL A 32 -4.475 -11.269 -11.435 1.00 71.44 O ATOM 391 CB VAL A 32 -4.634 -12.285 -14.577 1.00 2.34 C ATOM 392 CG1 VAL A 32 -5.673 -11.187 -14.406 1.00 44.44 C ATOM 393 CG2 VAL A 32 -3.967 -12.192 -15.941 1.00 21.33 C ATOM 0 H VAL A 32 -2.674 -13.823 -14.442 1.00 25.42 H new ATOM 0 HA VAL A 32 -3.045 -11.264 -13.530 1.00 53.04 H new ATOM 0 HB VAL A 32 -5.143 -13.247 -14.512 1.00 2.34 H new ATOM 0 HG11 VAL A 32 -6.409 -11.255 -15.207 1.00 44.44 H new ATOM 0 HG12 VAL A 32 -6.172 -11.305 -13.444 1.00 44.44 H new ATOM 0 HG13 VAL A 32 -5.184 -10.214 -14.444 1.00 44.44 H new ATOM 0 HG21 VAL A 32 -4.726 -12.246 -16.722 1.00 21.33 H new ATOM 0 HG22 VAL A 32 -3.431 -11.246 -16.020 1.00 21.33 H new ATOM 0 HG23 VAL A 32 -3.265 -13.017 -16.060 1.00 21.33 H new ATOM 403 N LYS A 33 -4.670 -13.493 -11.711 1.00 21.45 N ATOM 404 CA LYS A 33 -5.352 -13.702 -10.439 1.00 33.10 C ATOM 405 C LYS A 33 -4.436 -13.364 -9.268 1.00 24.14 C ATOM 406 O LYS A 33 -4.859 -12.740 -8.294 1.00 42.04 O ATOM 407 CB LYS A 33 -5.830 -15.152 -10.325 1.00 2.41 C ATOM 408 CG LYS A 33 -6.830 -15.549 -11.397 1.00 13.54 C ATOM 409 CD LYS A 33 -6.651 -16.998 -11.817 1.00 54.42 C ATOM 410 CE LYS A 33 -7.790 -17.463 -12.712 1.00 11.02 C ATOM 411 NZ LYS A 33 -8.808 -18.242 -11.954 1.00 21.21 N ATOM 0 H LYS A 33 -4.522 -14.343 -12.254 1.00 21.45 H new ATOM 0 HA LYS A 33 -6.215 -13.037 -10.405 1.00 33.10 H new ATOM 0 HB2 LYS A 33 -4.967 -15.816 -10.381 1.00 2.41 H new ATOM 0 HB3 LYS A 33 -6.283 -15.300 -9.345 1.00 2.41 H new ATOM 0 HG2 LYS A 33 -7.843 -15.400 -11.024 1.00 13.54 H new ATOM 0 HG3 LYS A 33 -6.711 -14.900 -12.265 1.00 13.54 H new ATOM 0 HD2 LYS A 33 -5.703 -17.111 -12.344 1.00 54.42 H new ATOM 0 HD3 LYS A 33 -6.601 -17.631 -10.931 1.00 54.42 H new ATOM 0 HE2 LYS A 33 -8.265 -16.598 -13.174 1.00 11.02 H new ATOM 0 HE3 LYS A 33 -7.390 -18.077 -13.519 1.00 11.02 H new ATOM 0 HZ1 LYS A 33 -9.567 -18.541 -12.599 1.00 21.21 H new ATOM 0 HZ2 LYS A 33 -8.360 -19.081 -11.534 1.00 21.21 H new ATOM 0 HZ3 LYS A 33 -9.208 -17.649 -11.199 1.00 21.21 H new ATOM 425 N LYS A 34 -3.177 -13.779 -9.368 1.00 53.22 N ATOM 426 CA LYS A 34 -2.199 -13.518 -8.319 1.00 30.01 C ATOM 427 C LYS A 34 -1.954 -12.021 -8.164 1.00 2.53 C ATOM 428 O LYS A 34 -1.807 -11.517 -7.049 1.00 24.50 O ATOM 429 CB LYS A 34 -0.882 -14.231 -8.632 1.00 61.44 C ATOM 430 CG LYS A 34 0.237 -13.896 -7.662 1.00 45.21 C ATOM 431 CD LYS A 34 1.256 -15.020 -7.575 1.00 34.42 C ATOM 432 CE LYS A 34 2.495 -14.591 -6.805 1.00 65.34 C ATOM 433 NZ LYS A 34 2.248 -14.543 -5.338 1.00 25.44 N ATOM 0 H LYS A 34 -2.810 -14.298 -10.166 1.00 53.22 H new ATOM 0 HA LYS A 34 -2.599 -13.902 -7.381 1.00 30.01 H new ATOM 0 HB2 LYS A 34 -1.050 -15.308 -8.621 1.00 61.44 H new ATOM 0 HB3 LYS A 34 -0.567 -13.968 -9.642 1.00 61.44 H new ATOM 0 HG2 LYS A 34 0.732 -12.979 -7.980 1.00 45.21 H new ATOM 0 HG3 LYS A 34 -0.182 -13.706 -6.674 1.00 45.21 H new ATOM 0 HD2 LYS A 34 0.805 -15.884 -7.088 1.00 34.42 H new ATOM 0 HD3 LYS A 34 1.541 -15.333 -8.580 1.00 34.42 H new ATOM 0 HE2 LYS A 34 3.310 -15.284 -7.013 1.00 65.34 H new ATOM 0 HE3 LYS A 34 2.816 -13.609 -7.151 1.00 65.34 H new ATOM 0 HZ1 LYS A 34 3.117 -14.246 -4.849 1.00 25.44 H new ATOM 0 HZ2 LYS A 34 1.488 -13.863 -5.136 1.00 25.44 H new ATOM 0 HZ3 LYS A 34 1.967 -15.486 -5.002 1.00 25.44 H new ATOM 447 N LEU A 35 -1.913 -11.313 -9.287 1.00 45.11 N ATOM 448 CA LEU A 35 -1.687 -9.872 -9.276 1.00 2.32 C ATOM 449 C LEU A 35 -2.856 -9.143 -8.621 1.00 4.33 C ATOM 450 O LEU A 35 -2.667 -8.347 -7.699 1.00 73.14 O ATOM 451 CB LEU A 35 -1.484 -9.356 -10.702 1.00 21.14 C ATOM 452 CG LEU A 35 -1.605 -7.844 -10.892 1.00 54.21 C ATOM 453 CD1 LEU A 35 -0.702 -7.108 -9.915 1.00 21.45 C ATOM 454 CD2 LEU A 35 -1.269 -7.458 -12.325 1.00 74.23 C ATOM 0 H LEU A 35 -2.033 -11.713 -10.217 1.00 45.11 H new ATOM 0 HA LEU A 35 -0.787 -9.675 -8.694 1.00 2.32 H new ATOM 0 HB2 LEU A 35 -0.496 -9.667 -11.042 1.00 21.14 H new ATOM 0 HB3 LEU A 35 -2.212 -9.843 -11.350 1.00 21.14 H new ATOM 0 HG LEU A 35 -2.636 -7.554 -10.690 1.00 54.21 H new ATOM 0 HD11 LEU A 35 -0.802 -6.033 -10.066 1.00 21.45 H new ATOM 0 HD12 LEU A 35 -0.989 -7.359 -8.894 1.00 21.45 H new ATOM 0 HD13 LEU A 35 0.334 -7.403 -10.084 1.00 21.45 H new ATOM 0 HD21 LEU A 35 -1.360 -6.378 -12.442 1.00 74.23 H new ATOM 0 HD22 LEU A 35 -0.248 -7.763 -12.554 1.00 74.23 H new ATOM 0 HD23 LEU A 35 -1.958 -7.956 -13.007 1.00 74.23 H new ATOM 466 N LEU A 36 -4.063 -9.420 -9.100 1.00 61.44 N ATOM 467 CA LEU A 36 -5.264 -8.793 -8.560 1.00 41.10 C ATOM 468 C LEU A 36 -5.495 -9.216 -7.113 1.00 11.32 C ATOM 469 O LEU A 36 -5.961 -8.426 -6.292 1.00 2.00 O ATOM 470 CB LEU A 36 -6.481 -9.159 -9.411 1.00 12.31 C ATOM 471 CG LEU A 36 -6.538 -8.533 -10.805 1.00 14.21 C ATOM 472 CD1 LEU A 36 -7.676 -9.135 -11.614 1.00 74.12 C ATOM 473 CD2 LEU A 36 -6.694 -7.022 -10.705 1.00 65.33 C ATOM 0 H LEU A 36 -4.236 -10.075 -9.862 1.00 61.44 H new ATOM 0 HA LEU A 36 -5.123 -7.712 -8.585 1.00 41.10 H new ATOM 0 HB2 LEU A 36 -6.510 -10.243 -9.520 1.00 12.31 H new ATOM 0 HB3 LEU A 36 -7.380 -8.869 -8.867 1.00 12.31 H new ATOM 0 HG LEU A 36 -5.601 -8.749 -11.318 1.00 14.21 H new ATOM 0 HD11 LEU A 36 -7.701 -8.677 -12.603 1.00 74.12 H new ATOM 0 HD12 LEU A 36 -7.522 -10.209 -11.715 1.00 74.12 H new ATOM 0 HD13 LEU A 36 -8.622 -8.950 -11.105 1.00 74.12 H new ATOM 0 HD21 LEU A 36 -6.733 -6.593 -11.706 1.00 65.33 H new ATOM 0 HD22 LEU A 36 -7.616 -6.786 -10.173 1.00 65.33 H new ATOM 0 HD23 LEU A 36 -5.845 -6.604 -10.164 1.00 65.33 H new ATOM 485 N ALA A 37 -5.164 -10.466 -6.807 1.00 74.00 N ATOM 486 CA ALA A 37 -5.332 -10.992 -5.458 1.00 60.42 C ATOM 487 C ALA A 37 -4.428 -10.265 -4.469 1.00 25.42 C ATOM 488 O ALA A 37 -4.719 -10.206 -3.275 1.00 12.22 O ATOM 489 CB ALA A 37 -5.048 -12.487 -5.436 1.00 30.02 C ATOM 0 H ALA A 37 -4.778 -11.133 -7.475 1.00 74.00 H new ATOM 0 HA ALA A 37 -6.366 -10.825 -5.155 1.00 60.42 H new ATOM 0 HB1 ALA A 37 -5.177 -12.867 -4.423 1.00 30.02 H new ATOM 0 HB2 ALA A 37 -5.739 -12.999 -6.106 1.00 30.02 H new ATOM 0 HB3 ALA A 37 -4.024 -12.668 -5.764 1.00 30.02 H new ATOM 495 N ALA A 38 -3.328 -9.714 -4.974 1.00 35.44 N ATOM 496 CA ALA A 38 -2.382 -8.990 -4.134 1.00 72.30 C ATOM 497 C ALA A 38 -2.848 -7.559 -3.890 1.00 34.00 C ATOM 498 O ALA A 38 -2.675 -7.017 -2.799 1.00 31.43 O ATOM 499 CB ALA A 38 -1.000 -8.996 -4.770 1.00 72.04 C ATOM 0 H ALA A 38 -3.071 -9.756 -5.960 1.00 35.44 H new ATOM 0 HA ALA A 38 -2.329 -9.496 -3.170 1.00 72.30 H new ATOM 0 HB1 ALA A 38 -0.304 -8.452 -4.132 1.00 72.04 H new ATOM 0 HB2 ALA A 38 -0.658 -10.024 -4.887 1.00 72.04 H new ATOM 0 HB3 ALA A 38 -1.047 -8.516 -5.748 1.00 72.04 H new ATOM 505 N ALA A 39 -3.440 -6.952 -4.913 1.00 41.45 N ATOM 506 CA ALA A 39 -3.932 -5.584 -4.809 1.00 40.42 C ATOM 507 C ALA A 39 -5.218 -5.524 -3.993 1.00 15.33 C ATOM 508 O ALA A 39 -6.304 -5.333 -4.540 1.00 5.41 O ATOM 509 CB ALA A 39 -4.156 -4.996 -6.195 1.00 31.33 C ATOM 0 H ALA A 39 -3.591 -7.386 -5.824 1.00 41.45 H new ATOM 0 HA ALA A 39 -3.177 -4.991 -4.293 1.00 40.42 H new ATOM 0 HB1 ALA A 39 -4.523 -3.974 -6.102 1.00 31.33 H new ATOM 0 HB2 ALA A 39 -3.216 -4.995 -6.746 1.00 31.33 H new ATOM 0 HB3 ALA A 39 -4.890 -5.598 -6.731 1.00 31.33 H new ATOM 515 N ASN A 40 -5.089 -5.689 -2.680 1.00 72.13 N ATOM 516 CA ASN A 40 -6.243 -5.655 -1.788 1.00 64.13 C ATOM 517 C ASN A 40 -6.359 -4.298 -1.101 1.00 22.01 C ATOM 518 O ASN A 40 -7.415 -3.943 -0.576 1.00 60.03 O ATOM 519 CB ASN A 40 -6.135 -6.763 -0.739 1.00 60.30 C ATOM 520 CG ASN A 40 -7.274 -6.725 0.262 1.00 41.24 C ATOM 521 OD1 ASN A 40 -8.312 -7.356 0.062 1.00 40.22 O ATOM 522 ND2 ASN A 40 -7.084 -5.981 1.345 1.00 31.45 N ATOM 0 H ASN A 40 -4.197 -5.847 -2.210 1.00 72.13 H new ATOM 0 HA ASN A 40 -7.139 -5.817 -2.387 1.00 64.13 H new ATOM 0 HB2 ASN A 40 -6.126 -7.732 -1.238 1.00 60.30 H new ATOM 0 HB3 ASN A 40 -5.187 -6.668 -0.210 1.00 60.30 H new ATOM 0 HD21 ASN A 40 -7.815 -5.915 2.053 1.00 31.45 H new ATOM 0 HD22 ASN A 40 -6.207 -5.475 1.469 1.00 31.45 H new ATOM 529 N THR A 41 -5.265 -3.542 -1.108 1.00 14.33 N ATOM 530 CA THR A 41 -5.244 -2.224 -0.485 1.00 24.20 C ATOM 531 C THR A 41 -5.435 -1.123 -1.522 1.00 5.15 C ATOM 532 O THR A 41 -5.357 -1.369 -2.726 1.00 11.51 O ATOM 533 CB THR A 41 -3.922 -1.981 0.269 1.00 54.24 C ATOM 534 OG1 THR A 41 -2.905 -2.855 -0.232 1.00 45.44 O ATOM 535 CG2 THR A 41 -4.102 -2.207 1.762 1.00 2.32 C ATOM 0 H THR A 41 -4.383 -3.820 -1.538 1.00 14.33 H new ATOM 0 HA THR A 41 -6.070 -2.196 0.226 1.00 24.20 H new ATOM 0 HB THR A 41 -3.622 -0.946 0.108 1.00 54.24 H new ATOM 0 HG1 THR A 41 -2.186 -2.933 0.429 1.00 45.44 H new ATOM 0 HG21 THR A 41 -3.156 -2.030 2.273 1.00 2.32 H new ATOM 0 HG22 THR A 41 -4.856 -1.520 2.146 1.00 2.32 H new ATOM 0 HG23 THR A 41 -4.423 -3.234 1.938 1.00 2.32 H new ATOM 543 N THR A 42 -5.684 0.094 -1.047 1.00 30.42 N ATOM 544 CA THR A 42 -5.886 1.233 -1.933 1.00 15.14 C ATOM 545 C THR A 42 -4.601 1.591 -2.670 1.00 75.05 C ATOM 546 O THR A 42 -4.566 1.678 -3.898 1.00 63.21 O ATOM 547 CB THR A 42 -6.380 2.468 -1.156 1.00 2.15 C ATOM 548 OG1 THR A 42 -7.793 2.381 -0.944 1.00 13.24 O ATOM 549 CG2 THR A 42 -6.053 3.748 -1.910 1.00 3.24 C ATOM 0 H THR A 42 -5.750 0.315 -0.054 1.00 30.42 H new ATOM 0 HA THR A 42 -6.647 0.940 -2.657 1.00 15.14 H new ATOM 0 HB THR A 42 -5.870 2.492 -0.193 1.00 2.15 H new ATOM 0 HG1 THR A 42 -8.098 3.169 -0.448 1.00 13.24 H new ATOM 0 HG21 THR A 42 -6.411 4.607 -1.342 1.00 3.24 H new ATOM 0 HG22 THR A 42 -4.974 3.826 -2.044 1.00 3.24 H new ATOM 0 HG23 THR A 42 -6.539 3.730 -2.886 1.00 3.24 H new ATOM 557 N PRO A 43 -3.519 1.803 -1.907 1.00 53.50 N ATOM 558 CA PRO A 43 -2.211 2.154 -2.468 1.00 53.30 C ATOM 559 C PRO A 43 -1.573 0.992 -3.221 1.00 2.11 C ATOM 560 O PRO A 43 -0.555 1.160 -3.893 1.00 72.22 O ATOM 561 CB PRO A 43 -1.380 2.513 -1.233 1.00 73.54 C ATOM 562 CG PRO A 43 -2.021 1.765 -0.115 1.00 73.05 C ATOM 563 CD PRO A 43 -3.489 1.717 -0.437 1.00 53.13 C ATOM 0 HA PRO A 43 -2.283 2.960 -3.198 1.00 53.30 H new ATOM 0 HB2 PRO A 43 -0.337 2.221 -1.359 1.00 73.54 H new ATOM 0 HB3 PRO A 43 -1.390 3.587 -1.048 1.00 73.54 H new ATOM 0 HG2 PRO A 43 -1.607 0.760 -0.030 1.00 73.05 H new ATOM 0 HG3 PRO A 43 -1.847 2.263 0.839 1.00 73.05 H new ATOM 0 HD2 PRO A 43 -3.949 0.796 -0.079 1.00 53.13 H new ATOM 0 HD3 PRO A 43 -4.029 2.544 0.025 1.00 53.13 H new ATOM 571 N ASP A 44 -2.177 -0.185 -3.104 1.00 23.40 N ATOM 572 CA ASP A 44 -1.668 -1.376 -3.775 1.00 44.32 C ATOM 573 C ASP A 44 -2.233 -1.487 -5.188 1.00 0.33 C ATOM 574 O ASP A 44 -1.533 -1.887 -6.118 1.00 24.55 O ATOM 575 CB ASP A 44 -2.018 -2.629 -2.972 1.00 73.32 C ATOM 576 CG ASP A 44 -0.936 -3.002 -1.979 1.00 25.13 C ATOM 577 OD1 ASP A 44 -0.897 -4.177 -1.555 1.00 51.44 O ATOM 578 OD2 ASP A 44 -0.126 -2.120 -1.625 1.00 51.31 O ATOM 0 H ASP A 44 -3.020 -0.340 -2.551 1.00 23.40 H new ATOM 0 HA ASP A 44 -0.584 -1.289 -3.843 1.00 44.32 H new ATOM 0 HB2 ASP A 44 -2.955 -2.466 -2.439 1.00 73.32 H new ATOM 0 HB3 ASP A 44 -2.181 -3.461 -3.656 1.00 73.32 H new ATOM 583 N ARG A 45 -3.504 -1.130 -5.341 1.00 31.14 N ATOM 584 CA ARG A 45 -4.164 -1.192 -6.639 1.00 51.11 C ATOM 585 C ARG A 45 -3.724 -0.033 -7.529 1.00 3.15 C ATOM 586 O ARG A 45 -3.483 -0.212 -8.722 1.00 51.51 O ATOM 587 CB ARG A 45 -5.684 -1.166 -6.464 1.00 44.14 C ATOM 588 CG ARG A 45 -6.198 -2.175 -5.451 1.00 24.31 C ATOM 589 CD ARG A 45 -7.252 -3.087 -6.058 1.00 61.34 C ATOM 590 NE ARG A 45 -8.326 -3.387 -5.115 1.00 43.01 N ATOM 591 CZ ARG A 45 -9.292 -2.530 -4.805 1.00 52.13 C ATOM 592 NH1 ARG A 45 -9.319 -1.327 -5.362 1.00 12.34 N ATOM 593 NH2 ARG A 45 -10.235 -2.876 -3.938 1.00 24.03 N ATOM 0 H ARG A 45 -4.097 -0.795 -4.582 1.00 31.14 H new ATOM 0 HA ARG A 45 -3.876 -2.127 -7.120 1.00 51.11 H new ATOM 0 HB2 ARG A 45 -5.988 -0.166 -6.155 1.00 44.14 H new ATOM 0 HB3 ARG A 45 -6.155 -1.359 -7.428 1.00 44.14 H new ATOM 0 HG2 ARG A 45 -5.367 -2.775 -5.079 1.00 24.31 H new ATOM 0 HG3 ARG A 45 -6.620 -1.649 -4.594 1.00 24.31 H new ATOM 0 HD2 ARG A 45 -7.671 -2.615 -6.947 1.00 61.34 H new ATOM 0 HD3 ARG A 45 -6.784 -4.017 -6.382 1.00 61.34 H new ATOM 0 HE ARG A 45 -8.335 -4.305 -4.670 1.00 43.01 H new ATOM 0 HH11 ARG A 45 -8.597 -1.058 -6.030 1.00 12.34 H new ATOM 0 HH12 ARG A 45 -10.062 -0.671 -5.122 1.00 12.34 H new ATOM 0 HH21 ARG A 45 -10.219 -3.801 -3.509 1.00 24.03 H new ATOM 0 HH22 ARG A 45 -10.976 -2.217 -3.701 1.00 24.03 H new ATOM 607 N GLN A 46 -3.621 1.153 -6.938 1.00 52.52 N ATOM 608 CA GLN A 46 -3.211 2.341 -7.678 1.00 12.32 C ATOM 609 C GLN A 46 -1.829 2.149 -8.294 1.00 32.13 C ATOM 610 O GLN A 46 -1.623 2.419 -9.476 1.00 72.15 O ATOM 611 CB GLN A 46 -3.207 3.564 -6.759 1.00 12.12 C ATOM 612 CG GLN A 46 -4.544 3.821 -6.082 1.00 20.31 C ATOM 613 CD GLN A 46 -4.414 4.680 -4.840 1.00 23.24 C ATOM 614 OE1 GLN A 46 -3.361 4.714 -4.202 1.00 62.10 O ATOM 615 NE2 GLN A 46 -5.486 5.380 -4.489 1.00 1.22 N ATOM 0 H GLN A 46 -3.815 1.317 -5.950 1.00 52.52 H new ATOM 0 HA GLN A 46 -3.928 2.502 -8.483 1.00 12.32 H new ATOM 0 HB2 GLN A 46 -2.442 3.431 -5.994 1.00 12.12 H new ATOM 0 HB3 GLN A 46 -2.928 4.443 -7.340 1.00 12.12 H new ATOM 0 HG2 GLN A 46 -5.216 4.309 -6.788 1.00 20.31 H new ATOM 0 HG3 GLN A 46 -5.000 2.868 -5.814 1.00 20.31 H new ATOM 0 HE21 GLN A 46 -6.338 5.322 -5.047 1.00 1.22 H new ATOM 0 HE22 GLN A 46 -5.458 5.976 -3.662 1.00 1.22 H new ATOM 624 N ALA A 47 -0.886 1.681 -7.483 1.00 64.03 N ATOM 625 CA ALA A 47 0.476 1.451 -7.949 1.00 43.11 C ATOM 626 C ALA A 47 0.515 0.365 -9.019 1.00 55.32 C ATOM 627 O ALA A 47 0.996 0.591 -10.129 1.00 53.10 O ATOM 628 CB ALA A 47 1.377 1.076 -6.782 1.00 2.23 C ATOM 0 H ALA A 47 -1.040 1.454 -6.501 1.00 64.03 H new ATOM 0 HA ALA A 47 0.842 2.376 -8.394 1.00 43.11 H new ATOM 0 HB1 ALA A 47 2.391 0.907 -7.145 1.00 2.23 H new ATOM 0 HB2 ALA A 47 1.383 1.886 -6.052 1.00 2.23 H new ATOM 0 HB3 ALA A 47 1.004 0.166 -6.312 1.00 2.23 H new ATOM 634 N ALA A 48 0.005 -0.814 -8.678 1.00 11.33 N ATOM 635 CA ALA A 48 -0.020 -1.934 -9.610 1.00 11.01 C ATOM 636 C ALA A 48 -0.610 -1.518 -10.953 1.00 12.51 C ATOM 637 O ALA A 48 -0.092 -1.879 -12.010 1.00 23.44 O ATOM 638 CB ALA A 48 -0.810 -3.093 -9.021 1.00 31.22 C ATOM 0 H ALA A 48 -0.396 -1.018 -7.763 1.00 11.33 H new ATOM 0 HA ALA A 48 1.007 -2.257 -9.779 1.00 11.01 H new ATOM 0 HB1 ALA A 48 -0.820 -3.923 -9.728 1.00 31.22 H new ATOM 0 HB2 ALA A 48 -0.344 -3.415 -8.090 1.00 31.22 H new ATOM 0 HB3 ALA A 48 -1.833 -2.773 -8.823 1.00 31.22 H new ATOM 644 N CYS A 49 -1.698 -0.755 -10.905 1.00 63.53 N ATOM 645 CA CYS A 49 -2.360 -0.290 -12.118 1.00 21.30 C ATOM 646 C CYS A 49 -1.457 0.659 -12.901 1.00 12.14 C ATOM 647 O CYS A 49 -1.064 0.369 -14.030 1.00 32.45 O ATOM 648 CB CYS A 49 -3.675 0.410 -11.770 1.00 22.14 C ATOM 649 SG CYS A 49 -4.732 0.765 -13.210 1.00 12.32 S ATOM 0 H CYS A 49 -2.139 -0.446 -10.039 1.00 63.53 H new ATOM 0 HA CYS A 49 -2.573 -1.158 -12.742 1.00 21.30 H new ATOM 0 HB2 CYS A 49 -4.231 -0.213 -11.069 1.00 22.14 H new ATOM 0 HB3 CYS A 49 -3.452 1.346 -11.257 1.00 22.14 H new ATOM 654 N ASN A 50 -1.133 1.795 -12.291 1.00 63.15 N ATOM 655 CA ASN A 50 -0.277 2.788 -12.931 1.00 23.42 C ATOM 656 C ASN A 50 0.979 2.136 -13.502 1.00 2.13 C ATOM 657 O ASN A 50 1.392 2.435 -14.623 1.00 22.33 O ATOM 658 CB ASN A 50 0.111 3.878 -11.930 1.00 32.12 C ATOM 659 CG ASN A 50 -1.095 4.625 -11.394 1.00 2.53 C ATOM 660 OD1 ASN A 50 -2.066 4.858 -12.114 1.00 23.10 O ATOM 661 ND2 ASN A 50 -1.038 5.006 -10.123 1.00 4.13 N ATOM 0 H ASN A 50 -1.450 2.051 -11.356 1.00 63.15 H new ATOM 0 HA ASN A 50 -0.836 3.239 -13.751 1.00 23.42 H new ATOM 0 HB2 ASN A 50 0.655 3.428 -11.100 1.00 32.12 H new ATOM 0 HB3 ASN A 50 0.789 4.584 -12.410 1.00 32.12 H new ATOM 0 HD21 ASN A 50 -1.819 5.513 -9.707 1.00 4.13 H new ATOM 0 HD22 ASN A 50 -0.213 4.791 -9.563 1.00 4.13 H new ATOM 668 N CYS A 51 1.582 1.244 -12.723 1.00 44.02 N ATOM 669 CA CYS A 51 2.791 0.549 -13.150 1.00 10.24 C ATOM 670 C CYS A 51 2.603 -0.070 -14.532 1.00 5.03 C ATOM 671 O CYS A 51 3.433 0.112 -15.424 1.00 3.14 O ATOM 672 CB CYS A 51 3.164 -0.537 -12.139 1.00 13.15 C ATOM 673 SG CYS A 51 4.253 0.039 -10.797 1.00 31.14 S ATOM 0 H CYS A 51 1.253 0.985 -11.793 1.00 44.02 H new ATOM 0 HA CYS A 51 3.599 1.278 -13.205 1.00 10.24 H new ATOM 0 HB2 CYS A 51 2.251 -0.942 -11.703 1.00 13.15 H new ATOM 0 HB3 CYS A 51 3.655 -1.355 -12.665 1.00 13.15 H new ATOM 678 N LEU A 52 1.508 -0.802 -14.702 1.00 40.11 N ATOM 679 CA LEU A 52 1.210 -1.448 -15.976 1.00 22.35 C ATOM 680 C LEU A 52 0.866 -0.415 -17.043 1.00 51.14 C ATOM 681 O LEU A 52 1.245 -0.557 -18.206 1.00 71.51 O ATOM 682 CB LEU A 52 0.052 -2.434 -15.811 1.00 51.21 C ATOM 683 CG LEU A 52 0.311 -3.627 -14.890 1.00 42.33 C ATOM 684 CD1 LEU A 52 -0.891 -4.558 -14.872 1.00 0.13 C ATOM 685 CD2 LEU A 52 1.562 -4.376 -15.327 1.00 53.32 C ATOM 0 H LEU A 52 0.812 -0.963 -13.974 1.00 40.11 H new ATOM 0 HA LEU A 52 2.099 -1.991 -16.297 1.00 22.35 H new ATOM 0 HB2 LEU A 52 -0.812 -1.888 -15.431 1.00 51.21 H new ATOM 0 HB3 LEU A 52 -0.219 -2.813 -16.796 1.00 51.21 H new ATOM 0 HG LEU A 52 0.470 -3.253 -13.879 1.00 42.33 H new ATOM 0 HD11 LEU A 52 -0.688 -5.401 -14.211 1.00 0.13 H new ATOM 0 HD12 LEU A 52 -1.765 -4.016 -14.511 1.00 0.13 H new ATOM 0 HD13 LEU A 52 -1.082 -4.925 -15.880 1.00 0.13 H new ATOM 0 HD21 LEU A 52 1.731 -5.222 -14.661 1.00 53.32 H new ATOM 0 HD22 LEU A 52 1.432 -4.738 -16.347 1.00 53.32 H new ATOM 0 HD23 LEU A 52 2.420 -3.705 -15.287 1.00 53.32 H new ATOM 697 N LYS A 53 0.147 0.627 -16.641 1.00 12.33 N ATOM 698 CA LYS A 53 -0.246 1.688 -17.561 1.00 33.30 C ATOM 699 C LYS A 53 0.979 2.372 -18.158 1.00 3.11 C ATOM 700 O LYS A 53 0.993 2.723 -19.338 1.00 13.55 O ATOM 701 CB LYS A 53 -1.119 2.718 -16.841 1.00 52.22 C ATOM 702 CG LYS A 53 -2.240 2.101 -16.023 1.00 73.35 C ATOM 703 CD LYS A 53 -3.605 2.522 -16.541 1.00 14.31 C ATOM 704 CE LYS A 53 -3.854 2.000 -17.948 1.00 3.52 C ATOM 705 NZ LYS A 53 -3.579 0.541 -18.055 1.00 21.25 N ATOM 0 H LYS A 53 -0.176 0.760 -15.683 1.00 12.33 H new ATOM 0 HA LYS A 53 -0.820 1.238 -18.371 1.00 33.30 H new ATOM 0 HB2 LYS A 53 -0.490 3.319 -16.184 1.00 52.22 H new ATOM 0 HB3 LYS A 53 -1.549 3.396 -17.578 1.00 52.22 H new ATOM 0 HG2 LYS A 53 -2.158 1.015 -16.053 1.00 73.35 H new ATOM 0 HG3 LYS A 53 -2.138 2.400 -14.980 1.00 73.35 H new ATOM 0 HD2 LYS A 53 -4.380 2.149 -15.871 1.00 14.31 H new ATOM 0 HD3 LYS A 53 -3.677 3.610 -16.538 1.00 14.31 H new ATOM 0 HE2 LYS A 53 -4.888 2.196 -18.230 1.00 3.52 H new ATOM 0 HE3 LYS A 53 -3.223 2.541 -18.653 1.00 3.52 H new ATOM 0 HZ1 LYS A 53 -4.272 0.103 -18.695 1.00 21.25 H new ATOM 0 HZ2 LYS A 53 -2.620 0.395 -18.430 1.00 21.25 H new ATOM 0 HZ3 LYS A 53 -3.653 0.104 -17.114 1.00 21.25 H new ATOM 719 N SER A 54 2.007 2.557 -17.336 1.00 3.01 N ATOM 720 CA SER A 54 3.237 3.201 -17.782 1.00 52.55 C ATOM 721 C SER A 54 4.018 2.288 -18.722 1.00 45.30 C ATOM 722 O SER A 54 4.484 2.717 -19.777 1.00 52.24 O ATOM 723 CB SER A 54 4.105 3.579 -16.581 1.00 1.41 C ATOM 724 OG SER A 54 5.443 3.827 -16.976 1.00 41.03 O ATOM 0 H SER A 54 2.012 2.270 -16.357 1.00 3.01 H new ATOM 0 HA SER A 54 2.967 4.107 -18.325 1.00 52.55 H new ATOM 0 HB2 SER A 54 3.695 4.466 -16.097 1.00 1.41 H new ATOM 0 HB3 SER A 54 4.083 2.775 -15.845 1.00 1.41 H new ATOM 0 HG SER A 54 5.977 4.068 -16.190 1.00 41.03 H new ATOM 730 N ALA A 55 4.158 1.026 -18.330 1.00 4.34 N ATOM 731 CA ALA A 55 4.881 0.051 -19.136 1.00 44.14 C ATOM 732 C ALA A 55 4.188 -0.176 -20.475 1.00 51.13 C ATOM 733 O ALA A 55 4.811 -0.616 -21.441 1.00 41.31 O ATOM 734 CB ALA A 55 5.017 -1.262 -18.381 1.00 20.54 C ATOM 0 H ALA A 55 3.780 0.655 -17.458 1.00 4.34 H new ATOM 0 HA ALA A 55 5.877 0.448 -19.334 1.00 44.14 H new ATOM 0 HB1 ALA A 55 5.559 -1.981 -18.996 1.00 20.54 H new ATOM 0 HB2 ALA A 55 5.563 -1.093 -17.453 1.00 20.54 H new ATOM 0 HB3 ALA A 55 4.026 -1.655 -18.153 1.00 20.54 H new ATOM 740 N ALA A 56 2.895 0.126 -20.525 1.00 53.14 N ATOM 741 CA ALA A 56 2.117 -0.044 -21.747 1.00 2.05 C ATOM 742 C ALA A 56 2.356 1.110 -22.715 1.00 25.52 C ATOM 743 O ALA A 56 2.317 0.930 -23.931 1.00 41.13 O ATOM 744 CB ALA A 56 0.636 -0.161 -21.417 1.00 43.34 C ATOM 0 H ALA A 56 2.364 0.490 -19.734 1.00 53.14 H new ATOM 0 HA ALA A 56 2.444 -0.964 -22.232 1.00 2.05 H new ATOM 0 HB1 ALA A 56 0.067 -0.287 -22.338 1.00 43.34 H new ATOM 0 HB2 ALA A 56 0.475 -1.023 -20.769 1.00 43.34 H new ATOM 0 HB3 ALA A 56 0.304 0.743 -20.907 1.00 43.34 H new ATOM 750 N GLY A 57 2.604 2.295 -22.166 1.00 40.22 N ATOM 751 CA GLY A 57 2.845 3.461 -22.996 1.00 60.14 C ATOM 752 C GLY A 57 4.075 3.307 -23.869 1.00 74.34 C ATOM 753 O GLY A 57 4.193 3.959 -24.907 1.00 24.33 O ATOM 0 H GLY A 57 2.642 2.468 -21.162 1.00 40.22 H new ATOM 0 HA2 GLY A 57 1.975 3.640 -23.628 1.00 60.14 H new ATOM 0 HA3 GLY A 57 2.962 4.338 -22.360 1.00 60.14 H new ATOM 757 N SER A 58 4.993 2.443 -23.448 1.00 71.13 N ATOM 758 CA SER A 58 6.223 2.209 -24.196 1.00 54.35 C ATOM 759 C SER A 58 6.032 1.094 -25.220 1.00 50.44 C ATOM 760 O SER A 58 6.978 0.690 -25.897 1.00 21.34 O ATOM 761 CB SER A 58 7.364 1.852 -23.243 1.00 65.21 C ATOM 762 OG SER A 58 7.297 2.622 -22.056 1.00 4.24 O ATOM 0 H SER A 58 4.908 1.893 -22.593 1.00 71.13 H new ATOM 0 HA SER A 58 6.477 3.127 -24.727 1.00 54.35 H new ATOM 0 HB2 SER A 58 7.317 0.792 -22.995 1.00 65.21 H new ATOM 0 HB3 SER A 58 8.321 2.022 -23.737 1.00 65.21 H new ATOM 0 HG SER A 58 8.036 2.374 -21.463 1.00 4.24 H new ATOM 768 N ILE A 59 4.802 0.603 -25.328 1.00 63.23 N ATOM 769 CA ILE A 59 4.487 -0.464 -26.270 1.00 34.22 C ATOM 770 C ILE A 59 3.704 0.071 -27.465 1.00 24.44 C ATOM 771 O ILE A 59 2.877 0.972 -27.327 1.00 14.04 O ATOM 772 CB ILE A 59 3.672 -1.585 -25.598 1.00 23.43 C ATOM 773 CG1 ILE A 59 4.208 -1.862 -24.191 1.00 40.24 C ATOM 774 CG2 ILE A 59 3.713 -2.849 -26.444 1.00 33.33 C ATOM 775 CD1 ILE A 59 3.478 -2.976 -23.475 1.00 63.41 C ATOM 0 H ILE A 59 4.008 0.927 -24.775 1.00 63.23 H new ATOM 0 HA ILE A 59 5.437 -0.872 -26.614 1.00 34.22 H new ATOM 0 HB ILE A 59 2.635 -1.260 -25.514 1.00 23.43 H new ATOM 0 HG12 ILE A 59 5.266 -2.116 -24.257 1.00 40.24 H new ATOM 0 HG13 ILE A 59 4.135 -0.951 -23.597 1.00 40.24 H new ATOM 0 HG21 ILE A 59 3.133 -3.632 -25.956 1.00 33.33 H new ATOM 0 HG22 ILE A 59 3.290 -2.643 -27.427 1.00 33.33 H new ATOM 0 HG23 ILE A 59 4.746 -3.179 -26.556 1.00 33.33 H new ATOM 0 HD11 ILE A 59 3.911 -3.117 -22.485 1.00 63.41 H new ATOM 0 HD12 ILE A 59 2.424 -2.716 -23.377 1.00 63.41 H new ATOM 0 HD13 ILE A 59 3.572 -3.899 -24.047 1.00 63.41 H new ATOM 787 N THR A 60 3.971 -0.492 -28.639 1.00 74.23 N ATOM 788 CA THR A 60 3.292 -0.073 -29.859 1.00 33.20 C ATOM 789 C THR A 60 2.291 -1.126 -30.321 1.00 22.31 C ATOM 790 O THR A 60 1.276 -0.805 -30.939 1.00 41.21 O ATOM 791 CB THR A 60 4.295 0.199 -30.995 1.00 63.45 C ATOM 792 OG1 THR A 60 3.664 0.952 -32.037 1.00 31.31 O ATOM 793 CG2 THR A 60 4.837 -1.105 -31.562 1.00 71.14 C ATOM 0 H THR A 60 4.653 -1.239 -28.771 1.00 74.23 H new ATOM 0 HA THR A 60 2.762 0.850 -29.624 1.00 33.20 H new ATOM 0 HB THR A 60 5.126 0.773 -30.586 1.00 63.45 H new ATOM 0 HG1 THR A 60 4.309 1.122 -32.755 1.00 31.31 H new ATOM 0 HG21 THR A 60 5.544 -0.888 -32.363 1.00 71.14 H new ATOM 0 HG22 THR A 60 5.343 -1.662 -30.773 1.00 71.14 H new ATOM 0 HG23 THR A 60 4.014 -1.700 -31.956 1.00 71.14 H new ATOM 801 N LYS A 61 2.583 -2.386 -30.017 1.00 31.42 N ATOM 802 CA LYS A 61 1.708 -3.488 -30.399 1.00 31.52 C ATOM 803 C LYS A 61 0.733 -3.824 -29.275 1.00 22.25 C ATOM 804 O LYS A 61 0.100 -4.881 -29.283 1.00 11.31 O ATOM 805 CB LYS A 61 2.537 -4.725 -30.756 1.00 15.51 C ATOM 806 CG LYS A 61 3.215 -4.631 -32.111 1.00 45.13 C ATOM 807 CD LYS A 61 2.297 -5.097 -33.228 1.00 62.44 C ATOM 808 CE LYS A 61 2.881 -4.783 -34.597 1.00 72.34 C ATOM 809 NZ LYS A 61 3.959 -5.739 -34.973 1.00 44.21 N ATOM 0 H LYS A 61 3.419 -2.670 -29.507 1.00 31.42 H new ATOM 0 HA LYS A 61 1.135 -3.177 -31.273 1.00 31.52 H new ATOM 0 HB2 LYS A 61 3.296 -4.877 -29.989 1.00 15.51 H new ATOM 0 HB3 LYS A 61 1.890 -5.602 -30.743 1.00 15.51 H new ATOM 0 HG2 LYS A 61 3.520 -3.601 -32.295 1.00 45.13 H new ATOM 0 HG3 LYS A 61 4.122 -5.236 -32.108 1.00 45.13 H new ATOM 0 HD2 LYS A 61 2.131 -6.171 -33.140 1.00 62.44 H new ATOM 0 HD3 LYS A 61 1.325 -4.615 -33.127 1.00 62.44 H new ATOM 0 HE2 LYS A 61 2.089 -4.816 -35.346 1.00 72.34 H new ATOM 0 HE3 LYS A 61 3.279 -3.768 -34.598 1.00 72.34 H new ATOM 0 HZ1 LYS A 61 4.331 -5.491 -35.912 1.00 44.21 H new ATOM 0 HZ2 LYS A 61 4.726 -5.690 -34.273 1.00 44.21 H new ATOM 0 HZ3 LYS A 61 3.574 -6.705 -34.997 1.00 44.21 H new ATOM 823 N LEU A 62 0.616 -2.919 -28.309 1.00 64.12 N ATOM 824 CA LEU A 62 -0.283 -3.119 -27.178 1.00 50.31 C ATOM 825 C LEU A 62 -1.738 -3.137 -27.636 1.00 1.21 C ATOM 826 O LEU A 62 -2.200 -2.214 -28.306 1.00 4.04 O ATOM 827 CB LEU A 62 -0.078 -2.017 -26.137 1.00 43.43 C ATOM 828 CG LEU A 62 -1.051 -2.017 -24.958 1.00 22.51 C ATOM 829 CD1 LEU A 62 -0.724 -3.150 -23.997 1.00 60.10 C ATOM 830 CD2 LEU A 62 -1.017 -0.678 -24.237 1.00 44.42 C ATOM 0 H LEU A 62 1.133 -2.040 -28.287 1.00 64.12 H new ATOM 0 HA LEU A 62 -0.051 -4.084 -26.727 1.00 50.31 H new ATOM 0 HB2 LEU A 62 0.936 -2.099 -25.745 1.00 43.43 H new ATOM 0 HB3 LEU A 62 -0.148 -1.052 -26.640 1.00 43.43 H new ATOM 0 HG LEU A 62 -2.058 -2.173 -25.344 1.00 22.51 H new ATOM 0 HD11 LEU A 62 -1.427 -3.135 -23.164 1.00 60.10 H new ATOM 0 HD12 LEU A 62 -0.801 -4.104 -24.519 1.00 60.10 H new ATOM 0 HD13 LEU A 62 0.290 -3.025 -23.618 1.00 60.10 H new ATOM 0 HD21 LEU A 62 -1.716 -0.697 -23.401 1.00 44.42 H new ATOM 0 HD22 LEU A 62 -0.010 -0.491 -23.864 1.00 44.42 H new ATOM 0 HD23 LEU A 62 -1.301 0.115 -24.929 1.00 44.42 H new ATOM 842 N ASN A 63 -2.456 -4.193 -27.268 1.00 24.14 N ATOM 843 CA ASN A 63 -3.859 -4.331 -27.639 1.00 52.31 C ATOM 844 C ASN A 63 -4.767 -4.062 -26.443 1.00 54.10 C ATOM 845 O ASN A 63 -5.098 -4.972 -25.683 1.00 21.45 O ATOM 846 CB ASN A 63 -4.127 -5.732 -28.192 1.00 41.12 C ATOM 847 CG ASN A 63 -3.484 -5.951 -29.548 1.00 54.44 C ATOM 848 OD1 ASN A 63 -2.265 -5.857 -29.692 1.00 54.35 O ATOM 849 ND2 ASN A 63 -4.304 -6.244 -30.551 1.00 13.10 N ATOM 0 H ASN A 63 -2.089 -4.966 -26.713 1.00 24.14 H new ATOM 0 HA ASN A 63 -4.078 -3.595 -28.412 1.00 52.31 H new ATOM 0 HB2 ASN A 63 -3.750 -6.475 -27.490 1.00 41.12 H new ATOM 0 HB3 ASN A 63 -5.203 -5.888 -28.274 1.00 41.12 H new ATOM 0 HD21 ASN A 63 -3.929 -6.401 -31.487 1.00 13.10 H new ATOM 0 HD22 ASN A 63 -5.308 -6.312 -30.386 1.00 13.10 H new ATOM 856 N THR A 64 -5.169 -2.805 -26.282 1.00 42.33 N ATOM 857 CA THR A 64 -6.038 -2.415 -25.179 1.00 51.04 C ATOM 858 C THR A 64 -7.271 -3.308 -25.109 1.00 72.40 C ATOM 859 O THR A 64 -7.857 -3.491 -24.043 1.00 1.23 O ATOM 860 CB THR A 64 -6.488 -0.948 -25.310 1.00 50.41 C ATOM 861 OG1 THR A 64 -7.342 -0.797 -26.449 1.00 52.25 O ATOM 862 CG2 THR A 64 -5.287 -0.023 -25.444 1.00 73.33 C ATOM 0 H THR A 64 -4.906 -2.039 -26.902 1.00 42.33 H new ATOM 0 HA THR A 64 -5.457 -2.529 -24.264 1.00 51.04 H new ATOM 0 HB THR A 64 -7.036 -0.678 -24.407 1.00 50.41 H new ATOM 0 HG1 THR A 64 -7.625 0.138 -26.524 1.00 52.25 H new ATOM 0 HG21 THR A 64 -5.630 1.008 -25.535 1.00 73.33 H new ATOM 0 HG22 THR A 64 -4.654 -0.118 -24.562 1.00 73.33 H new ATOM 0 HG23 THR A 64 -4.715 -0.295 -26.331 1.00 73.33 H new ATOM 870 N ASN A 65 -7.660 -3.864 -26.252 1.00 42.23 N ATOM 871 CA ASN A 65 -8.824 -4.739 -26.320 1.00 34.23 C ATOM 872 C ASN A 65 -8.601 -6.006 -25.500 1.00 23.22 C ATOM 873 O ASN A 65 -9.487 -6.451 -24.772 1.00 2.25 O ATOM 874 CB ASN A 65 -9.129 -5.106 -27.773 1.00 60.25 C ATOM 875 CG ASN A 65 -10.087 -4.130 -28.428 1.00 11.43 C ATOM 876 OD1 ASN A 65 -10.565 -3.190 -27.791 1.00 65.30 O ATOM 877 ND2 ASN A 65 -10.373 -4.348 -29.706 1.00 70.00 N ATOM 0 H ASN A 65 -7.186 -3.724 -27.144 1.00 42.23 H new ATOM 0 HA ASN A 65 -9.675 -4.202 -25.902 1.00 34.23 H new ATOM 0 HB2 ASN A 65 -8.199 -5.134 -28.341 1.00 60.25 H new ATOM 0 HB3 ASN A 65 -9.555 -6.109 -27.810 1.00 60.25 H new ATOM 0 HD21 ASN A 65 -11.012 -3.724 -30.199 1.00 70.00 H new ATOM 0 HD22 ASN A 65 -9.954 -5.139 -30.195 1.00 70.00 H new ATOM 884 N ASN A 66 -7.409 -6.582 -25.624 1.00 33.11 N ATOM 885 CA ASN A 66 -7.068 -7.798 -24.894 1.00 74.13 C ATOM 886 C ASN A 66 -6.788 -7.491 -23.426 1.00 72.34 C ATOM 887 O ASN A 66 -6.878 -8.370 -22.570 1.00 24.40 O ATOM 888 CB ASN A 66 -5.850 -8.473 -25.528 1.00 31.05 C ATOM 889 CG ASN A 66 -6.156 -9.052 -26.895 1.00 62.42 C ATOM 890 OD1 ASN A 66 -7.165 -9.732 -27.082 1.00 54.54 O ATOM 891 ND2 ASN A 66 -5.282 -8.786 -27.859 1.00 71.12 N ATOM 0 H ASN A 66 -6.664 -6.226 -26.223 1.00 33.11 H new ATOM 0 HA ASN A 66 -7.920 -8.476 -24.948 1.00 74.13 H new ATOM 0 HB2 ASN A 66 -5.041 -7.748 -25.617 1.00 31.05 H new ATOM 0 HB3 ASN A 66 -5.495 -9.267 -24.871 1.00 31.05 H new ATOM 0 HD21 ASN A 66 -5.434 -9.150 -28.800 1.00 71.12 H new ATOM 0 HD22 ASN A 66 -4.459 -8.218 -27.659 1.00 71.12 H new ATOM 898 N ALA A 67 -6.449 -6.238 -23.144 1.00 13.42 N ATOM 899 CA ALA A 67 -6.159 -5.814 -21.780 1.00 3.22 C ATOM 900 C ALA A 67 -7.439 -5.678 -20.962 1.00 61.34 C ATOM 901 O ALA A 67 -7.456 -5.966 -19.766 1.00 41.10 O ATOM 902 CB ALA A 67 -5.393 -4.499 -21.787 1.00 54.25 C ATOM 0 H ALA A 67 -6.368 -5.498 -23.842 1.00 13.42 H new ATOM 0 HA ALA A 67 -5.540 -6.580 -21.313 1.00 3.22 H new ATOM 0 HB1 ALA A 67 -5.183 -4.195 -20.762 1.00 54.25 H new ATOM 0 HB2 ALA A 67 -4.455 -4.627 -22.326 1.00 54.25 H new ATOM 0 HB3 ALA A 67 -5.992 -3.732 -22.278 1.00 54.25 H new ATOM 908 N ALA A 68 -8.509 -5.238 -21.616 1.00 41.11 N ATOM 909 CA ALA A 68 -9.794 -5.066 -20.950 1.00 2.42 C ATOM 910 C ALA A 68 -10.476 -6.409 -20.718 1.00 34.42 C ATOM 911 O ALA A 68 -11.064 -6.644 -19.662 1.00 42.31 O ATOM 912 CB ALA A 68 -10.693 -4.149 -21.766 1.00 2.31 C ATOM 0 H ALA A 68 -8.511 -4.994 -22.606 1.00 41.11 H new ATOM 0 HA ALA A 68 -9.613 -4.608 -19.978 1.00 2.42 H new ATOM 0 HB1 ALA A 68 -11.649 -4.030 -21.257 1.00 2.31 H new ATOM 0 HB2 ALA A 68 -10.216 -3.175 -21.875 1.00 2.31 H new ATOM 0 HB3 ALA A 68 -10.859 -4.585 -22.751 1.00 2.31 H new ATOM 918 N ALA A 69 -10.395 -7.288 -21.711 1.00 74.33 N ATOM 919 CA ALA A 69 -11.004 -8.609 -21.614 1.00 74.13 C ATOM 920 C ALA A 69 -10.061 -9.601 -20.943 1.00 3.24 C ATOM 921 O ALA A 69 -10.438 -10.739 -20.660 1.00 10.32 O ATOM 922 CB ALA A 69 -11.403 -9.109 -22.995 1.00 31.11 C ATOM 0 H ALA A 69 -9.913 -7.109 -22.592 1.00 74.33 H new ATOM 0 HA ALA A 69 -11.899 -8.524 -20.997 1.00 74.13 H new ATOM 0 HB1 ALA A 69 -11.856 -10.096 -22.908 1.00 31.11 H new ATOM 0 HB2 ALA A 69 -12.120 -8.418 -23.439 1.00 31.11 H new ATOM 0 HB3 ALA A 69 -10.519 -9.171 -23.629 1.00 31.11 H new ATOM 928 N LEU A 70 -8.832 -9.163 -20.690 1.00 72.01 N ATOM 929 CA LEU A 70 -7.833 -10.013 -20.052 1.00 32.14 C ATOM 930 C LEU A 70 -8.344 -10.545 -18.716 1.00 50.14 C ATOM 931 O LEU A 70 -8.443 -11.753 -18.498 1.00 54.43 O ATOM 932 CB LEU A 70 -6.533 -9.235 -19.840 1.00 72.30 C ATOM 933 CG LEU A 70 -5.680 -9.666 -18.646 1.00 51.23 C ATOM 934 CD1 LEU A 70 -5.271 -11.124 -18.781 1.00 30.31 C ATOM 935 CD2 LEU A 70 -4.453 -8.775 -18.519 1.00 63.30 C ATOM 0 H LEU A 70 -8.504 -8.224 -20.917 1.00 72.01 H new ATOM 0 HA LEU A 70 -7.639 -10.860 -20.710 1.00 32.14 H new ATOM 0 HB2 LEU A 70 -5.929 -9.323 -20.743 1.00 72.30 H new ATOM 0 HB3 LEU A 70 -6.780 -8.180 -19.723 1.00 72.30 H new ATOM 0 HG LEU A 70 -6.277 -9.560 -17.740 1.00 51.23 H new ATOM 0 HD11 LEU A 70 -4.665 -11.413 -17.922 1.00 30.31 H new ATOM 0 HD12 LEU A 70 -6.163 -11.750 -18.823 1.00 30.31 H new ATOM 0 HD13 LEU A 70 -4.692 -11.256 -19.695 1.00 30.31 H new ATOM 0 HD21 LEU A 70 -3.857 -9.096 -17.664 1.00 63.30 H new ATOM 0 HD22 LEU A 70 -3.854 -8.849 -19.427 1.00 63.30 H new ATOM 0 HD23 LEU A 70 -4.767 -7.741 -18.375 1.00 63.30 H new ATOM 947 N PRO A 71 -8.678 -9.623 -17.801 1.00 32.41 N ATOM 948 CA PRO A 71 -9.187 -9.976 -16.472 1.00 53.12 C ATOM 949 C PRO A 71 -10.590 -10.571 -16.528 1.00 31.20 C ATOM 950 O PRO A 71 -10.984 -11.340 -15.652 1.00 50.01 O ATOM 951 CB PRO A 71 -9.204 -8.636 -15.732 1.00 30.22 C ATOM 952 CG PRO A 71 -9.324 -7.611 -16.806 1.00 60.22 C ATOM 953 CD PRO A 71 -8.585 -8.166 -17.993 1.00 33.35 C ATOM 0 HA PRO A 71 -8.574 -10.738 -15.990 1.00 53.12 H new ATOM 0 HB2 PRO A 71 -10.040 -8.579 -15.035 1.00 30.22 H new ATOM 0 HB3 PRO A 71 -8.294 -8.494 -15.149 1.00 30.22 H new ATOM 0 HG2 PRO A 71 -10.369 -7.423 -17.050 1.00 60.22 H new ATOM 0 HG3 PRO A 71 -8.895 -6.661 -16.488 1.00 60.22 H new ATOM 0 HD2 PRO A 71 -9.042 -7.854 -18.932 1.00 33.35 H new ATOM 0 HD3 PRO A 71 -7.549 -7.829 -18.015 1.00 33.35 H new ATOM 961 N GLY A 72 -11.340 -10.211 -17.565 1.00 14.41 N ATOM 962 CA GLY A 72 -12.691 -10.719 -17.715 1.00 73.14 C ATOM 963 C GLY A 72 -12.719 -12.171 -18.149 1.00 72.24 C ATOM 964 O GLY A 72 -13.350 -13.008 -17.504 1.00 32.33 O ATOM 0 H GLY A 72 -11.036 -9.577 -18.304 1.00 14.41 H new ATOM 0 HA2 GLY A 72 -13.222 -10.615 -16.769 1.00 73.14 H new ATOM 0 HA3 GLY A 72 -13.224 -10.114 -18.448 1.00 73.14 H new ATOM 968 N LYS A 73 -12.035 -12.472 -19.248 1.00 23.02 N ATOM 969 CA LYS A 73 -11.983 -13.833 -19.769 1.00 0.21 C ATOM 970 C LYS A 73 -11.379 -14.786 -18.743 1.00 3.12 C ATOM 971 O LYS A 73 -11.585 -15.998 -18.809 1.00 63.13 O ATOM 972 CB LYS A 73 -11.166 -13.875 -21.063 1.00 14.34 C ATOM 973 CG LYS A 73 -11.963 -13.489 -22.297 1.00 44.12 C ATOM 974 CD LYS A 73 -11.057 -13.262 -23.496 1.00 51.12 C ATOM 975 CE LYS A 73 -11.769 -12.486 -24.593 1.00 53.05 C ATOM 976 NZ LYS A 73 -12.555 -13.382 -25.486 1.00 63.34 N ATOM 0 H LYS A 73 -11.509 -11.791 -19.795 1.00 23.02 H new ATOM 0 HA LYS A 73 -13.003 -14.154 -19.980 1.00 0.21 H new ATOM 0 HB2 LYS A 73 -10.313 -13.203 -20.967 1.00 14.34 H new ATOM 0 HB3 LYS A 73 -10.766 -14.880 -21.198 1.00 14.34 H new ATOM 0 HG2 LYS A 73 -12.683 -14.274 -22.527 1.00 44.12 H new ATOM 0 HG3 LYS A 73 -12.534 -12.583 -22.094 1.00 44.12 H new ATOM 0 HD2 LYS A 73 -10.167 -12.717 -23.183 1.00 51.12 H new ATOM 0 HD3 LYS A 73 -10.722 -14.223 -23.887 1.00 51.12 H new ATOM 0 HE2 LYS A 73 -12.433 -11.748 -24.143 1.00 53.05 H new ATOM 0 HE3 LYS A 73 -11.036 -11.937 -25.184 1.00 53.05 H new ATOM 0 HZ1 LYS A 73 -13.025 -12.815 -26.220 1.00 63.34 H new ATOM 0 HZ2 LYS A 73 -11.918 -14.070 -25.935 1.00 63.34 H new ATOM 0 HZ3 LYS A 73 -13.272 -13.887 -24.927 1.00 63.34 H new ATOM 990 N CYS A 74 -10.633 -14.231 -17.793 1.00 51.53 N ATOM 991 CA CYS A 74 -9.999 -15.030 -16.752 1.00 75.31 C ATOM 992 C CYS A 74 -10.919 -15.177 -15.544 1.00 35.25 C ATOM 993 O CYS A 74 -10.493 -15.614 -14.475 1.00 55.31 O ATOM 994 CB CYS A 74 -8.676 -14.393 -16.325 1.00 22.12 C ATOM 995 SG CYS A 74 -7.358 -14.506 -17.577 1.00 63.11 S ATOM 0 H CYS A 74 -10.453 -13.229 -17.723 1.00 51.53 H new ATOM 0 HA CYS A 74 -9.802 -16.022 -17.159 1.00 75.31 H new ATOM 0 HB2 CYS A 74 -8.850 -13.343 -16.090 1.00 22.12 H new ATOM 0 HB3 CYS A 74 -8.333 -14.873 -15.408 1.00 22.12 H new ATOM 1000 N GLY A 75 -12.185 -14.809 -15.722 1.00 22.25 N ATOM 1001 CA GLY A 75 -13.145 -14.907 -14.638 1.00 73.41 C ATOM 1002 C GLY A 75 -12.710 -14.139 -13.406 1.00 71.10 C ATOM 1003 O GLY A 75 -12.342 -14.733 -12.393 1.00 34.55 O ATOM 0 H GLY A 75 -12.562 -14.445 -16.597 1.00 22.25 H new ATOM 0 HA2 GLY A 75 -14.110 -14.529 -14.976 1.00 73.41 H new ATOM 0 HA3 GLY A 75 -13.288 -15.956 -14.377 1.00 73.41 H new ATOM 1007 N VAL A 76 -12.750 -12.813 -13.492 1.00 61.35 N ATOM 1008 CA VAL A 76 -12.356 -11.962 -12.376 1.00 60.21 C ATOM 1009 C VAL A 76 -13.403 -10.887 -12.109 1.00 10.23 C ATOM 1010 O VAL A 76 -14.055 -10.398 -13.030 1.00 60.35 O ATOM 1011 CB VAL A 76 -10.997 -11.286 -12.638 1.00 30.20 C ATOM 1012 CG1 VAL A 76 -10.503 -10.577 -11.386 1.00 54.54 C ATOM 1013 CG2 VAL A 76 -9.978 -12.308 -13.118 1.00 62.23 C ATOM 0 H VAL A 76 -13.051 -12.305 -14.324 1.00 61.35 H new ATOM 0 HA VAL A 76 -12.270 -12.607 -11.501 1.00 60.21 H new ATOM 0 HB VAL A 76 -11.127 -10.540 -13.422 1.00 30.20 H new ATOM 0 HG11 VAL A 76 -9.542 -10.105 -11.590 1.00 54.54 H new ATOM 0 HG12 VAL A 76 -11.225 -9.816 -11.090 1.00 54.54 H new ATOM 0 HG13 VAL A 76 -10.388 -11.301 -10.579 1.00 54.54 H new ATOM 0 HG21 VAL A 76 -9.024 -11.813 -13.298 1.00 62.23 H new ATOM 0 HG22 VAL A 76 -9.849 -13.078 -12.358 1.00 62.23 H new ATOM 0 HG23 VAL A 76 -10.330 -12.766 -14.043 1.00 62.23 H new ATOM 1132 N SER A 83 -10.247 1.223 -19.024 1.00 11.22 N ATOM 1133 CA SER A 83 -9.936 2.383 -19.851 1.00 62.12 C ATOM 1134 C SER A 83 -8.501 2.846 -19.620 1.00 24.13 C ATOM 1135 O SER A 83 -8.129 3.224 -18.508 1.00 64.21 O ATOM 1136 CB SER A 83 -10.907 3.526 -19.550 1.00 72.15 C ATOM 1137 OG SER A 83 -11.857 3.676 -20.592 1.00 24.42 O ATOM 0 HA SER A 83 -10.042 2.092 -20.896 1.00 62.12 H new ATOM 0 HB2 SER A 83 -11.422 3.332 -18.609 1.00 72.15 H new ATOM 0 HB3 SER A 83 -10.352 4.455 -19.423 1.00 72.15 H new ATOM 0 HG SER A 83 -12.467 4.412 -20.375 1.00 24.42 H new ATOM 1143 N THR A 84 -7.697 2.814 -20.678 1.00 61.42 N ATOM 1144 CA THR A 84 -6.302 3.228 -20.592 1.00 54.10 C ATOM 1145 C THR A 84 -6.189 4.697 -20.202 1.00 44.40 C ATOM 1146 O THR A 84 -5.125 5.161 -19.790 1.00 3.10 O ATOM 1147 CB THR A 84 -5.566 3.004 -21.926 1.00 53.45 C ATOM 1148 OG1 THR A 84 -6.191 3.768 -22.965 1.00 32.54 O ATOM 1149 CG2 THR A 84 -5.566 1.531 -22.304 1.00 24.33 C ATOM 0 H THR A 84 -7.988 2.505 -21.605 1.00 61.42 H new ATOM 0 HA THR A 84 -5.836 2.613 -19.822 1.00 54.10 H new ATOM 0 HB THR A 84 -4.533 3.332 -21.805 1.00 53.45 H new ATOM 0 HG1 THR A 84 -5.716 3.621 -23.810 1.00 32.54 H new ATOM 0 HG21 THR A 84 -5.040 1.398 -23.250 1.00 24.33 H new ATOM 0 HG22 THR A 84 -5.064 0.956 -21.526 1.00 24.33 H new ATOM 0 HG23 THR A 84 -6.593 1.182 -22.408 1.00 24.33 H new ATOM 1157 N THR A 85 -7.292 5.427 -20.334 1.00 11.13 N ATOM 1158 CA THR A 85 -7.316 6.845 -19.995 1.00 61.55 C ATOM 1159 C THR A 85 -7.812 7.061 -18.570 1.00 43.44 C ATOM 1160 O THR A 85 -7.817 8.186 -18.067 1.00 62.45 O ATOM 1161 CB THR A 85 -8.212 7.638 -20.965 1.00 43.50 C ATOM 1162 OG1 THR A 85 -9.584 7.281 -20.768 1.00 72.21 O ATOM 1163 CG2 THR A 85 -7.815 7.372 -22.409 1.00 51.13 C ATOM 0 H THR A 85 -8.181 5.060 -20.673 1.00 11.13 H new ATOM 0 HA THR A 85 -6.292 7.208 -20.079 1.00 61.55 H new ATOM 0 HB THR A 85 -8.081 8.700 -20.759 1.00 43.50 H new ATOM 0 HG1 THR A 85 -10.147 7.791 -21.387 1.00 72.21 H new ATOM 0 HG21 THR A 85 -8.462 7.943 -23.075 1.00 51.13 H new ATOM 0 HG22 THR A 85 -6.779 7.673 -22.563 1.00 51.13 H new ATOM 0 HG23 THR A 85 -7.919 6.309 -22.625 1.00 51.13 H new ATOM 1171 N THR A 86 -8.228 5.978 -17.922 1.00 73.02 N ATOM 1172 CA THR A 86 -8.727 6.050 -16.555 1.00 24.05 C ATOM 1173 C THR A 86 -7.583 6.215 -15.561 1.00 3.25 C ATOM 1174 O THR A 86 -6.566 5.528 -15.650 1.00 35.22 O ATOM 1175 CB THR A 86 -9.536 4.792 -16.184 1.00 44.54 C ATOM 1176 OG1 THR A 86 -10.743 4.743 -16.953 1.00 63.32 O ATOM 1177 CG2 THR A 86 -9.872 4.783 -14.701 1.00 33.20 C ATOM 0 H THR A 86 -8.229 5.040 -18.322 1.00 73.02 H new ATOM 0 HA THR A 86 -9.380 6.921 -16.503 1.00 24.05 H new ATOM 0 HB THR A 86 -8.928 3.916 -16.407 1.00 44.54 H new ATOM 0 HG1 THR A 86 -11.387 4.150 -16.513 1.00 63.32 H new ATOM 0 HG21 THR A 86 -10.443 3.886 -14.463 1.00 33.20 H new ATOM 0 HG22 THR A 86 -8.950 4.792 -14.119 1.00 33.20 H new ATOM 0 HG23 THR A 86 -10.464 5.665 -14.457 1.00 33.20 H new ATOM 1185 N ASN A 87 -7.756 7.131 -14.613 1.00 42.21 N ATOM 1186 CA ASN A 87 -6.737 7.386 -13.601 1.00 42.34 C ATOM 1187 C ASN A 87 -6.874 6.414 -12.433 1.00 55.45 C ATOM 1188 O ASN A 87 -7.792 6.530 -11.620 1.00 3.00 O ATOM 1189 CB ASN A 87 -6.840 8.827 -13.096 1.00 20.32 C ATOM 1190 CG ASN A 87 -5.499 9.383 -12.657 1.00 60.05 C ATOM 1191 OD1 ASN A 87 -4.452 8.981 -13.165 1.00 22.33 O ATOM 1192 ND2 ASN A 87 -5.526 10.313 -11.710 1.00 44.21 N ATOM 0 H ASN A 87 -8.592 7.709 -14.525 1.00 42.21 H new ATOM 0 HA ASN A 87 -5.759 7.238 -14.060 1.00 42.34 H new ATOM 0 HB2 ASN A 87 -7.251 9.457 -13.885 1.00 20.32 H new ATOM 0 HB3 ASN A 87 -7.538 8.867 -12.260 1.00 20.32 H new ATOM 0 HD21 ASN A 87 -4.655 10.725 -11.375 1.00 44.21 H new ATOM 0 HD22 ASN A 87 -6.418 10.616 -11.318 1.00 44.21 H new ATOM 1199 N CYS A 88 -5.957 5.457 -12.357 1.00 25.35 N ATOM 1200 CA CYS A 88 -5.974 4.464 -11.289 1.00 1.11 C ATOM 1201 C CYS A 88 -5.717 5.118 -9.934 1.00 64.32 C ATOM 1202 O CYS A 88 -5.921 4.503 -8.888 1.00 40.24 O ATOM 1203 CB CYS A 88 -4.925 3.382 -11.553 1.00 1.10 C ATOM 1204 SG CYS A 88 -4.925 2.747 -13.261 1.00 0.45 S ATOM 0 H CYS A 88 -5.192 5.347 -13.022 1.00 25.35 H new ATOM 0 HA CYS A 88 -6.962 4.005 -11.269 1.00 1.11 H new ATOM 0 HB2 CYS A 88 -3.938 3.785 -11.327 1.00 1.10 H new ATOM 0 HB3 CYS A 88 -5.095 2.551 -10.868 1.00 1.10 H new ATOM 1209 N ASN A 89 -5.267 6.368 -9.963 1.00 1.13 N ATOM 1210 CA ASN A 89 -4.981 7.106 -8.737 1.00 71.43 C ATOM 1211 C ASN A 89 -6.269 7.605 -8.090 1.00 33.10 C ATOM 1212 O ASN A 89 -6.276 8.016 -6.929 1.00 62.20 O ATOM 1213 CB ASN A 89 -4.054 8.287 -9.033 1.00 35.24 C ATOM 1214 CG ASN A 89 -2.716 7.846 -9.593 1.00 20.45 C ATOM 1215 OD1 ASN A 89 -1.801 7.502 -8.845 1.00 24.34 O ATOM 1216 ND2 ASN A 89 -2.596 7.854 -10.915 1.00 73.11 N ATOM 0 H ASN A 89 -5.092 6.891 -10.821 1.00 1.13 H new ATOM 0 HA ASN A 89 -4.485 6.429 -8.042 1.00 71.43 H new ATOM 0 HB2 ASN A 89 -4.539 8.957 -9.743 1.00 35.24 H new ATOM 0 HB3 ASN A 89 -3.892 8.856 -8.118 1.00 35.24 H new ATOM 0 HD21 ASN A 89 -1.719 7.567 -11.349 1.00 73.11 H new ATOM 0 HD22 ASN A 89 -3.381 8.147 -11.497 1.00 73.11 H new ATOM 1223 N THR A 90 -7.360 7.566 -8.849 1.00 13.12 N ATOM 1224 CA THR A 90 -8.654 8.015 -8.350 1.00 73.44 C ATOM 1225 C THR A 90 -9.414 6.872 -7.686 1.00 63.11 C ATOM 1226 O THR A 90 -10.409 7.093 -6.996 1.00 24.14 O ATOM 1227 CB THR A 90 -9.519 8.601 -9.482 1.00 13.52 C ATOM 1228 OG1 THR A 90 -9.841 7.580 -10.432 1.00 54.13 O ATOM 1229 CG2 THR A 90 -8.795 9.742 -10.181 1.00 21.21 C ATOM 0 H THR A 90 -7.373 7.228 -9.811 1.00 13.12 H new ATOM 0 HA THR A 90 -8.456 8.793 -7.613 1.00 73.44 H new ATOM 0 HB THR A 90 -10.438 8.990 -9.043 1.00 13.52 H new ATOM 0 HG1 THR A 90 -9.091 7.462 -11.052 1.00 54.13 H new ATOM 0 HG21 THR A 90 -9.425 10.140 -10.976 1.00 21.21 H new ATOM 0 HG22 THR A 90 -8.578 10.531 -9.461 1.00 21.21 H new ATOM 0 HG23 THR A 90 -7.862 9.374 -10.607 1.00 21.21 H new ATOM 1237 N VAL A 91 -8.938 5.649 -7.898 1.00 60.14 N ATOM 1238 CA VAL A 91 -9.571 4.471 -7.318 1.00 74.22 C ATOM 1239 C VAL A 91 -9.439 4.467 -5.799 1.00 51.55 C ATOM 1240 O VAL A 91 -8.641 5.214 -5.233 1.00 10.42 O ATOM 1241 CB VAL A 91 -8.962 3.172 -7.879 1.00 5.34 C ATOM 1242 CG1 VAL A 91 -8.801 3.265 -9.388 1.00 54.54 C ATOM 1243 CG2 VAL A 91 -7.627 2.879 -7.210 1.00 31.02 C ATOM 0 H VAL A 91 -8.116 5.449 -8.467 1.00 60.14 H new ATOM 0 HA VAL A 91 -10.626 4.514 -7.588 1.00 74.22 H new ATOM 0 HB VAL A 91 -9.642 2.349 -7.661 1.00 5.34 H new ATOM 0 HG11 VAL A 91 -8.369 2.338 -9.766 1.00 54.54 H new ATOM 0 HG12 VAL A 91 -9.776 3.426 -9.849 1.00 54.54 H new ATOM 0 HG13 VAL A 91 -8.142 4.098 -9.633 1.00 54.54 H new ATOM 0 HG21 VAL A 91 -7.210 1.958 -7.618 1.00 31.02 H new ATOM 0 HG22 VAL A 91 -6.938 3.703 -7.396 1.00 31.02 H new ATOM 0 HG23 VAL A 91 -7.775 2.766 -6.136 1.00 31.02 H new