USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 943 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 79 THR OG1 : rot 180:sc= 0.00956 USER MOD Set 1.2: A 80 SER OG : rot 180:sc= 0.0347 USER MOD Set 2.1: A 68 THR OG1 : rot 64:sc= 0.278 USER MOD Set 2.2: A 69 ASN : amide:sc= -0.766 K(o=-0.49,f=-5.3!) USER MOD Set 3.1: A 36 HIS : no HD1:sc= 0.166 K(o=0.3,f=-1.3) USER MOD Set 3.2: A 66 THR OG1 : rot -159:sc= 0.13 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 161:sc= 0 (180deg=-0.201) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= 0.00869 K(o=0.0087,f=-1.8!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -61:sc= 0.534 USER MOD Single : A 12 HIS : no HD1:sc= -0.428 X(o=-0.43,f=-0.26) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 48:sc= 0.969 USER MOD Single : A 26 SER OG : rot -43:sc= 0.118 USER MOD Single : A 27 ASN : amide:sc= -2.02 K(o=-2,f=-12!) USER MOD Single : A 30 SER OG : rot -82:sc= 0.494 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 155:sc= -0.307 (180deg=-1.7) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot -143:sc= -7.86! USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.184 X(o=-0.18,f=-0.33) USER MOD Single : A 83 THR OG1 : rot 117:sc= 1.89 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.00645 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.025 4.507 -3.470 1.00 61.40 N ATOM 2 CA MET A 1 3.704 3.312 -2.982 1.00 61.21 C ATOM 3 C MET A 1 3.435 2.122 -3.898 1.00 22.45 C ATOM 4 O MET A 1 3.052 1.047 -3.437 1.00 71.30 O ATOM 5 CB MET A 1 3.250 2.987 -1.558 1.00 2.14 C ATOM 6 CG MET A 1 1.752 2.761 -1.434 1.00 21.32 C ATOM 7 SD MET A 1 1.350 1.198 -0.630 1.00 30.23 S ATOM 8 CE MET A 1 0.099 0.558 -1.741 1.00 23.54 C ATOM 0 H1 MET A 1 2.946 5.200 -2.699 1.00 61.40 H new ATOM 0 H2 MET A 1 3.570 4.921 -4.253 1.00 61.40 H new ATOM 0 H3 MET A 1 2.074 4.253 -3.806 1.00 61.40 H new ATOM 0 HA MET A 1 4.776 3.510 -2.977 1.00 61.21 H new ATOM 0 HB2 MET A 1 3.773 2.095 -1.213 1.00 2.14 H new ATOM 0 HB3 MET A 1 3.542 3.803 -0.897 1.00 2.14 H new ATOM 0 HG2 MET A 1 1.310 3.581 -0.867 1.00 21.32 H new ATOM 0 HG3 MET A 1 1.302 2.781 -2.427 1.00 21.32 H new ATOM 0 HE1 MET A 1 -0.250 -0.408 -1.378 1.00 23.54 H new ATOM 0 HE2 MET A 1 -0.739 1.254 -1.785 1.00 23.54 H new ATOM 0 HE3 MET A 1 0.524 0.439 -2.738 1.00 23.54 H new ATOM 18 N ALA A 2 3.638 2.321 -5.196 1.00 4.44 N ATOM 19 CA ALA A 2 3.419 1.264 -6.175 1.00 4.13 C ATOM 20 C ALA A 2 4.552 1.218 -7.195 1.00 73.40 C ATOM 21 O ALA A 2 5.462 2.046 -7.164 1.00 23.41 O ATOM 22 CB ALA A 2 2.083 1.462 -6.875 1.00 21.30 C ATOM 0 H ALA A 2 3.954 3.205 -5.594 1.00 4.44 H new ATOM 0 HA ALA A 2 3.402 0.311 -5.647 1.00 4.13 H new ATOM 0 HB1 ALA A 2 1.932 0.665 -7.604 1.00 21.30 H new ATOM 0 HB2 ALA A 2 1.279 1.437 -6.139 1.00 21.30 H new ATOM 0 HB3 ALA A 2 2.079 2.425 -7.385 1.00 21.30 H new ATOM 28 N ARG A 3 4.489 0.244 -8.098 1.00 10.32 N ATOM 29 CA ARG A 3 5.511 0.089 -9.126 1.00 54.33 C ATOM 30 C ARG A 3 5.423 1.214 -10.153 1.00 42.34 C ATOM 31 O ARG A 3 4.403 1.890 -10.285 1.00 15.21 O ATOM 32 CB ARG A 3 5.362 -1.265 -9.823 1.00 53.50 C ATOM 33 CG ARG A 3 6.398 -2.289 -9.391 1.00 31.12 C ATOM 34 CD ARG A 3 7.043 -2.969 -10.589 1.00 15.13 C ATOM 35 NE ARG A 3 7.337 -4.375 -10.327 1.00 72.20 N ATOM 36 CZ ARG A 3 7.614 -5.258 -11.280 1.00 51.24 C ATOM 37 NH1 ARG A 3 7.635 -4.881 -12.551 1.00 51.04 N ATOM 38 NH2 ARG A 3 7.871 -6.520 -10.963 1.00 63.21 N ATOM 0 H ARG A 3 3.741 -0.449 -8.138 1.00 10.32 H new ATOM 0 HA ARG A 3 6.487 0.136 -8.643 1.00 54.33 H new ATOM 0 HB2 ARG A 3 4.366 -1.660 -9.621 1.00 53.50 H new ATOM 0 HB3 ARG A 3 5.435 -1.119 -10.901 1.00 53.50 H new ATOM 0 HG2 ARG A 3 7.166 -1.800 -8.792 1.00 31.12 H new ATOM 0 HG3 ARG A 3 5.927 -3.039 -8.756 1.00 31.12 H new ATOM 0 HD2 ARG A 3 6.380 -2.892 -11.450 1.00 15.13 H new ATOM 0 HD3 ARG A 3 7.965 -2.448 -10.849 1.00 15.13 H new ATOM 0 HE ARG A 3 7.329 -4.697 -9.359 1.00 72.20 H new ATOM 0 HH11 ARG A 3 7.438 -3.911 -12.799 1.00 51.04 H new ATOM 0 HH12 ARG A 3 7.848 -5.561 -13.281 1.00 51.04 H new ATOM 0 HH21 ARG A 3 7.856 -6.814 -9.986 1.00 63.21 H new ATOM 0 HH22 ARG A 3 8.083 -7.197 -11.696 1.00 63.21 H new ATOM 52 N PRO A 4 6.519 1.421 -10.899 1.00 54.43 N ATOM 53 CA PRO A 4 6.591 2.464 -11.928 1.00 33.35 C ATOM 54 C PRO A 4 5.710 2.151 -13.132 1.00 51.34 C ATOM 55 O PRO A 4 4.947 3.001 -13.593 1.00 23.12 O ATOM 56 CB PRO A 4 8.067 2.463 -12.330 1.00 45.12 C ATOM 57 CG PRO A 4 8.547 1.090 -12.008 1.00 44.11 C ATOM 58 CD PRO A 4 7.771 0.654 -10.797 1.00 31.44 C ATOM 0 HA PRO A 4 6.236 3.427 -11.559 1.00 33.35 H new ATOM 0 HB2 PRO A 4 8.189 2.686 -13.390 1.00 45.12 H new ATOM 0 HB3 PRO A 4 8.628 3.218 -11.779 1.00 45.12 H new ATOM 0 HG2 PRO A 4 8.379 0.412 -12.844 1.00 44.11 H new ATOM 0 HG3 PRO A 4 9.618 1.088 -11.807 1.00 44.11 H new ATOM 0 HD2 PRO A 4 7.586 -0.420 -10.804 1.00 31.44 H new ATOM 0 HD3 PRO A 4 8.306 0.879 -9.874 1.00 31.44 H new ATOM 66 N SER A 5 5.820 0.927 -13.639 1.00 12.15 N ATOM 67 CA SER A 5 5.035 0.504 -14.793 1.00 23.25 C ATOM 68 C SER A 5 5.182 1.496 -15.943 1.00 20.45 C ATOM 69 O SER A 5 4.198 2.055 -16.424 1.00 35.52 O ATOM 70 CB SER A 5 3.561 0.364 -14.410 1.00 34.22 C ATOM 71 OG SER A 5 3.298 -0.911 -13.848 1.00 42.44 O ATOM 0 H SER A 5 6.445 0.211 -13.269 1.00 12.15 H new ATOM 0 HA SER A 5 5.411 -0.465 -15.122 1.00 23.25 H new ATOM 0 HB2 SER A 5 3.292 1.142 -13.696 1.00 34.22 H new ATOM 0 HB3 SER A 5 2.937 0.512 -15.292 1.00 34.22 H new ATOM 0 HG SER A 5 2.349 -0.974 -13.610 1.00 42.44 H new ATOM 77 N ASN A 6 6.420 1.708 -16.378 1.00 13.43 N ATOM 78 CA ASN A 6 6.697 2.633 -17.471 1.00 1.01 C ATOM 79 C ASN A 6 8.095 2.403 -18.037 1.00 22.15 C ATOM 80 O ASN A 6 8.793 1.471 -17.636 1.00 2.31 O ATOM 81 CB ASN A 6 6.561 4.079 -16.990 1.00 52.23 C ATOM 82 CG ASN A 6 5.638 4.897 -17.873 1.00 14.13 C ATOM 83 OD1 ASN A 6 5.760 4.885 -19.098 1.00 34.24 O ATOM 84 ND2 ASN A 6 4.708 5.614 -17.252 1.00 73.30 N ATOM 0 H ASN A 6 7.246 1.252 -15.991 1.00 13.43 H new ATOM 0 HA ASN A 6 5.969 2.450 -18.262 1.00 1.01 H new ATOM 0 HB2 ASN A 6 6.182 4.085 -15.968 1.00 52.23 H new ATOM 0 HB3 ASN A 6 7.546 4.546 -16.967 1.00 52.23 H new ATOM 0 HD21 ASN A 6 4.058 6.185 -17.793 1.00 73.30 H new ATOM 0 HD22 ASN A 6 4.644 5.594 -16.234 1.00 73.30 H new ATOM 91 N VAL A 7 8.498 3.259 -18.970 1.00 43.11 N ATOM 92 CA VAL A 7 9.814 3.151 -19.590 1.00 35.10 C ATOM 93 C VAL A 7 10.916 3.125 -18.538 1.00 25.42 C ATOM 94 O VAL A 7 11.929 2.444 -18.700 1.00 62.45 O ATOM 95 CB VAL A 7 10.074 4.317 -20.562 1.00 13.34 C ATOM 96 CG1 VAL A 7 9.088 4.278 -21.720 1.00 22.05 C ATOM 97 CG2 VAL A 7 9.995 5.648 -19.829 1.00 2.12 C ATOM 0 H VAL A 7 7.932 4.035 -19.314 1.00 43.11 H new ATOM 0 HA VAL A 7 9.826 2.214 -20.147 1.00 35.10 H new ATOM 0 HB VAL A 7 11.080 4.210 -20.969 1.00 13.34 H new ATOM 0 HG11 VAL A 7 9.288 5.110 -22.396 1.00 22.05 H new ATOM 0 HG12 VAL A 7 9.198 3.337 -22.260 1.00 22.05 H new ATOM 0 HG13 VAL A 7 8.071 4.359 -21.335 1.00 22.05 H new ATOM 0 HG21 VAL A 7 10.181 6.461 -20.530 1.00 2.12 H new ATOM 0 HG22 VAL A 7 9.003 5.765 -19.393 1.00 2.12 H new ATOM 0 HG23 VAL A 7 10.744 5.673 -19.038 1.00 2.12 H new ATOM 107 N LYS A 8 10.713 3.870 -17.457 1.00 44.41 N ATOM 108 CA LYS A 8 11.689 3.932 -16.375 1.00 41.44 C ATOM 109 C LYS A 8 11.058 4.494 -15.105 1.00 44.33 C ATOM 110 O LYS A 8 10.015 5.147 -15.138 1.00 2.40 O ATOM 111 CB LYS A 8 12.885 4.794 -16.788 1.00 54.20 C ATOM 112 CG LYS A 8 14.034 3.997 -17.381 1.00 35.35 C ATOM 113 CD LYS A 8 14.248 4.333 -18.847 1.00 33.31 C ATOM 114 CE LYS A 8 15.291 3.425 -19.480 1.00 5.31 C ATOM 115 NZ LYS A 8 15.363 3.608 -20.956 1.00 63.00 N ATOM 0 H LYS A 8 9.881 4.440 -17.307 1.00 44.41 H new ATOM 0 HA LYS A 8 12.033 2.918 -16.171 1.00 41.44 H new ATOM 0 HB2 LYS A 8 12.554 5.535 -17.516 1.00 54.20 H new ATOM 0 HB3 LYS A 8 13.245 5.342 -15.917 1.00 54.20 H new ATOM 0 HG2 LYS A 8 14.947 4.203 -16.823 1.00 35.35 H new ATOM 0 HG3 LYS A 8 13.830 2.931 -17.277 1.00 35.35 H new ATOM 0 HD2 LYS A 8 13.305 4.236 -19.385 1.00 33.31 H new ATOM 0 HD3 LYS A 8 14.563 5.372 -18.941 1.00 33.31 H new ATOM 0 HE2 LYS A 8 16.267 3.631 -19.040 1.00 5.31 H new ATOM 0 HE3 LYS A 8 15.053 2.386 -19.254 1.00 5.31 H new ATOM 0 HZ1 LYS A 8 16.085 2.972 -21.350 1.00 63.00 H new ATOM 0 HZ2 LYS A 8 14.439 3.387 -21.379 1.00 63.00 H new ATOM 0 HZ3 LYS A 8 15.615 4.594 -21.172 1.00 63.00 H new ATOM 129 N PRO A 9 11.705 4.237 -13.959 1.00 31.14 N ATOM 130 CA PRO A 9 11.226 4.710 -12.656 1.00 71.14 C ATOM 131 C PRO A 9 11.356 6.222 -12.505 1.00 25.41 C ATOM 132 O PRO A 9 10.523 6.865 -11.868 1.00 12.50 O ATOM 133 CB PRO A 9 12.140 3.992 -11.660 1.00 74.21 C ATOM 134 CG PRO A 9 13.386 3.708 -12.426 1.00 12.25 C ATOM 135 CD PRO A 9 12.954 3.465 -13.845 1.00 74.21 C ATOM 0 HA PRO A 9 10.166 4.500 -12.510 1.00 71.14 H new ATOM 0 HB2 PRO A 9 12.344 4.615 -10.789 1.00 74.21 H new ATOM 0 HB3 PRO A 9 11.682 3.073 -11.294 1.00 74.21 H new ATOM 0 HG2 PRO A 9 14.080 4.547 -12.368 1.00 12.25 H new ATOM 0 HG3 PRO A 9 13.903 2.838 -12.021 1.00 12.25 H new ATOM 0 HD2 PRO A 9 13.704 3.807 -14.558 1.00 74.21 H new ATOM 0 HD3 PRO A 9 12.790 2.405 -14.039 1.00 74.21 H new ATOM 143 N SER A 10 12.408 6.782 -13.095 1.00 15.34 N ATOM 144 CA SER A 10 12.649 8.219 -13.022 1.00 73.41 C ATOM 145 C SER A 10 12.888 8.657 -11.581 1.00 14.24 C ATOM 146 O SER A 10 12.532 7.965 -10.627 1.00 33.31 O ATOM 147 CB SER A 10 11.464 8.986 -13.611 1.00 52.52 C ATOM 148 OG SER A 10 10.666 9.556 -12.588 1.00 34.41 O ATOM 0 H SER A 10 13.106 6.263 -13.628 1.00 15.34 H new ATOM 0 HA SER A 10 13.543 8.443 -13.604 1.00 73.41 H new ATOM 0 HB2 SER A 10 11.828 9.772 -14.273 1.00 52.52 H new ATOM 0 HB3 SER A 10 10.857 8.314 -14.218 1.00 52.52 H new ATOM 0 HG SER A 10 10.302 8.844 -12.022 1.00 34.41 H new ATOM 154 N PRO A 11 13.506 9.836 -11.416 1.00 55.45 N ATOM 155 CA PRO A 11 13.806 10.395 -10.095 1.00 41.51 C ATOM 156 C PRO A 11 12.550 10.840 -9.354 1.00 74.22 C ATOM 157 O PRO A 11 11.680 11.499 -9.926 1.00 21.35 O ATOM 158 CB PRO A 11 14.694 11.601 -10.414 1.00 15.33 C ATOM 159 CG PRO A 11 14.318 11.992 -11.801 1.00 54.32 C ATOM 160 CD PRO A 11 13.958 10.715 -12.508 1.00 72.13 C ATOM 0 HA PRO A 11 14.277 9.662 -9.440 1.00 41.51 H new ATOM 0 HB2 PRO A 11 14.521 12.417 -9.712 1.00 15.33 H new ATOM 0 HB3 PRO A 11 15.751 11.343 -10.348 1.00 15.33 H new ATOM 0 HG2 PRO A 11 13.477 12.686 -11.797 1.00 54.32 H new ATOM 0 HG3 PRO A 11 15.145 12.496 -12.302 1.00 54.32 H new ATOM 0 HD2 PRO A 11 13.173 10.873 -13.248 1.00 72.13 H new ATOM 0 HD3 PRO A 11 14.813 10.293 -13.036 1.00 72.13 H new ATOM 168 N HIS A 12 12.460 10.476 -8.079 1.00 21.41 N ATOM 169 CA HIS A 12 11.309 10.838 -7.259 1.00 44.12 C ATOM 170 C HIS A 12 11.626 12.046 -6.382 1.00 71.14 C ATOM 171 O HIS A 12 12.610 12.048 -5.643 1.00 44.52 O ATOM 172 CB HIS A 12 10.886 9.656 -6.386 1.00 52.53 C ATOM 173 CG HIS A 12 9.622 9.900 -5.620 1.00 50.34 C ATOM 174 ND1 HIS A 12 9.186 9.075 -4.606 1.00 31.15 N ATOM 175 CD2 HIS A 12 8.700 10.885 -5.725 1.00 15.31 C ATOM 176 CE1 HIS A 12 8.049 9.541 -4.120 1.00 60.30 C ATOM 177 NE2 HIS A 12 7.732 10.639 -4.782 1.00 2.12 N ATOM 0 H HIS A 12 13.170 9.930 -7.591 1.00 21.41 H new ATOM 0 HA HIS A 12 10.487 11.100 -7.925 1.00 44.12 H new ATOM 0 HB2 HIS A 12 10.755 8.777 -7.017 1.00 52.53 H new ATOM 0 HB3 HIS A 12 11.688 9.428 -5.684 1.00 52.53 H new ATOM 0 HD2 HIS A 12 8.721 11.711 -6.421 1.00 15.31 H new ATOM 0 HE1 HIS A 12 7.476 9.099 -3.318 1.00 60.30 H new ATOM 0 HE2 HIS A 12 6.903 11.211 -4.619 1.00 2.12 H new ATOM 185 N VAL A 13 10.785 13.072 -6.470 1.00 70.33 N ATOM 186 CA VAL A 13 10.975 14.285 -5.685 1.00 12.40 C ATOM 187 C VAL A 13 9.840 14.476 -4.685 1.00 52.12 C ATOM 188 O VAL A 13 8.683 14.172 -4.978 1.00 63.54 O ATOM 189 CB VAL A 13 11.064 15.530 -6.588 1.00 14.01 C ATOM 190 CG1 VAL A 13 12.230 15.405 -7.556 1.00 51.43 C ATOM 191 CG2 VAL A 13 9.757 15.738 -7.338 1.00 73.43 C ATOM 0 H VAL A 13 9.966 13.087 -7.077 1.00 70.33 H new ATOM 0 HA VAL A 13 11.915 14.169 -5.145 1.00 12.40 H new ATOM 0 HB VAL A 13 11.238 16.403 -5.959 1.00 14.01 H new ATOM 0 HG11 VAL A 13 12.277 16.294 -8.186 1.00 51.43 H new ATOM 0 HG12 VAL A 13 13.160 15.308 -6.995 1.00 51.43 H new ATOM 0 HG13 VAL A 13 12.090 14.524 -8.182 1.00 51.43 H new ATOM 0 HG21 VAL A 13 9.837 16.622 -7.971 1.00 73.43 H new ATOM 0 HG22 VAL A 13 9.550 14.865 -7.958 1.00 73.43 H new ATOM 0 HG23 VAL A 13 8.946 15.876 -6.624 1.00 73.43 H new ATOM 201 N ILE A 14 10.178 14.982 -3.504 1.00 50.42 N ATOM 202 CA ILE A 14 9.187 15.215 -2.461 1.00 54.44 C ATOM 203 C ILE A 14 9.246 16.653 -1.958 1.00 2.54 C ATOM 204 O ILE A 14 10.155 17.408 -2.305 1.00 61.11 O ATOM 205 CB ILE A 14 9.385 14.258 -1.272 1.00 23.15 C ATOM 206 CG1 ILE A 14 10.780 14.440 -0.670 1.00 24.20 C ATOM 207 CG2 ILE A 14 9.176 12.817 -1.711 1.00 32.51 C ATOM 208 CD1 ILE A 14 10.834 15.479 0.428 1.00 43.34 C ATOM 0 H ILE A 14 11.131 15.239 -3.245 1.00 50.42 H new ATOM 0 HA ILE A 14 8.210 15.029 -2.907 1.00 54.44 H new ATOM 0 HB ILE A 14 8.646 14.495 -0.507 1.00 23.15 H new ATOM 0 HG12 ILE A 14 11.123 13.485 -0.272 1.00 24.20 H new ATOM 0 HG13 ILE A 14 11.474 14.723 -1.461 1.00 24.20 H new ATOM 0 HG21 ILE A 14 9.320 12.153 -0.859 1.00 32.51 H new ATOM 0 HG22 ILE A 14 8.164 12.698 -2.098 1.00 32.51 H new ATOM 0 HG23 ILE A 14 9.895 12.567 -2.491 1.00 32.51 H new ATOM 0 HD11 ILE A 14 11.853 15.554 0.808 1.00 43.34 H new ATOM 0 HD12 ILE A 14 10.523 16.445 0.031 1.00 43.34 H new ATOM 0 HD13 ILE A 14 10.166 15.187 1.238 1.00 43.34 H new ATOM 220 N LYS A 15 8.272 17.027 -1.135 1.00 2.13 N ATOM 221 CA LYS A 15 8.214 18.374 -0.579 1.00 70.10 C ATOM 222 C LYS A 15 7.316 18.416 0.653 1.00 31.32 C ATOM 223 O LYS A 15 6.720 19.447 0.964 1.00 71.12 O ATOM 224 CB LYS A 15 7.701 19.360 -1.631 1.00 11.02 C ATOM 225 CG LYS A 15 6.357 18.973 -2.223 1.00 60.33 C ATOM 226 CD LYS A 15 6.374 19.049 -3.741 1.00 13.52 C ATOM 227 CE LYS A 15 5.105 18.464 -4.342 1.00 64.15 C ATOM 228 NZ LYS A 15 4.264 19.509 -4.988 1.00 14.34 N ATOM 0 H LYS A 15 7.511 16.416 -0.838 1.00 2.13 H new ATOM 0 HA LYS A 15 9.223 18.661 -0.281 1.00 70.10 H new ATOM 0 HB2 LYS A 15 7.619 20.349 -1.180 1.00 11.02 H new ATOM 0 HB3 LYS A 15 8.434 19.436 -2.434 1.00 11.02 H new ATOM 0 HG2 LYS A 15 6.099 17.961 -1.911 1.00 60.33 H new ATOM 0 HG3 LYS A 15 5.583 19.634 -1.833 1.00 60.33 H new ATOM 0 HD2 LYS A 15 6.481 20.088 -4.053 1.00 13.52 H new ATOM 0 HD3 LYS A 15 7.241 18.511 -4.124 1.00 13.52 H new ATOM 0 HE2 LYS A 15 5.369 17.704 -5.078 1.00 64.15 H new ATOM 0 HE3 LYS A 15 4.530 17.966 -3.561 1.00 64.15 H new ATOM 0 HZ1 LYS A 15 3.409 19.070 -5.385 1.00 14.34 H new ATOM 0 HZ2 LYS A 15 3.991 20.221 -4.281 1.00 14.34 H new ATOM 0 HZ3 LYS A 15 4.804 19.967 -5.750 1.00 14.34 H new ATOM 242 N SER A 16 7.225 17.289 1.352 1.00 30.31 N ATOM 243 CA SER A 16 6.398 17.196 2.549 1.00 13.44 C ATOM 244 C SER A 16 6.914 16.107 3.484 1.00 23.11 C ATOM 245 O SER A 16 7.660 15.218 3.069 1.00 53.40 O ATOM 246 CB SER A 16 4.943 16.911 2.169 1.00 25.14 C ATOM 247 OG SER A 16 4.139 18.067 2.325 1.00 43.22 O ATOM 0 H SER A 16 7.714 16.427 1.110 1.00 30.31 H new ATOM 0 HA SER A 16 6.449 18.152 3.070 1.00 13.44 H new ATOM 0 HB2 SER A 16 4.894 16.567 1.136 1.00 25.14 H new ATOM 0 HB3 SER A 16 4.552 16.106 2.791 1.00 25.14 H new ATOM 0 HG SER A 16 3.215 17.859 2.074 1.00 43.22 H new ATOM 253 N LEU A 17 6.513 16.182 4.748 1.00 23.13 N ATOM 254 CA LEU A 17 6.935 15.203 5.744 1.00 32.40 C ATOM 255 C LEU A 17 6.266 13.854 5.499 1.00 54.02 C ATOM 256 O LEU A 17 6.937 12.830 5.383 1.00 23.41 O ATOM 257 CB LEU A 17 6.602 15.701 7.151 1.00 2.43 C ATOM 258 CG LEU A 17 7.612 15.350 8.244 1.00 4.11 C ATOM 259 CD1 LEU A 17 8.940 16.045 7.987 1.00 44.12 C ATOM 260 CD2 LEU A 17 7.068 15.727 9.614 1.00 21.55 C ATOM 0 H LEU A 17 5.896 16.910 5.108 1.00 23.13 H new ATOM 0 HA LEU A 17 8.014 15.075 5.656 1.00 32.40 H new ATOM 0 HB2 LEU A 17 6.497 16.785 7.116 1.00 2.43 H new ATOM 0 HB3 LEU A 17 5.631 15.296 7.438 1.00 2.43 H new ATOM 0 HG LEU A 17 7.779 14.273 8.225 1.00 4.11 H new ATOM 0 HD11 LEU A 17 9.646 15.783 8.775 1.00 44.12 H new ATOM 0 HD12 LEU A 17 9.337 15.726 7.023 1.00 44.12 H new ATOM 0 HD13 LEU A 17 8.790 17.125 7.978 1.00 44.12 H new ATOM 0 HD21 LEU A 17 7.800 15.470 10.380 1.00 21.55 H new ATOM 0 HD22 LEU A 17 6.871 16.799 9.645 1.00 21.55 H new ATOM 0 HD23 LEU A 17 6.142 15.183 9.800 1.00 21.55 H new ATOM 272 N GLU A 18 4.939 13.863 5.419 1.00 53.43 N ATOM 273 CA GLU A 18 4.179 12.640 5.186 1.00 45.55 C ATOM 274 C GLU A 18 4.717 11.889 3.971 1.00 43.51 C ATOM 275 O GLU A 18 4.962 10.685 4.032 1.00 50.10 O ATOM 276 CB GLU A 18 2.698 12.964 4.984 1.00 53.34 C ATOM 277 CG GLU A 18 1.778 12.236 5.950 1.00 64.15 C ATOM 278 CD GLU A 18 0.984 13.184 6.826 1.00 1.35 C ATOM 279 OE1 GLU A 18 -0.239 12.976 6.968 1.00 12.13 O ATOM 280 OE2 GLU A 18 1.585 14.134 7.370 1.00 11.24 O ATOM 0 H GLU A 18 4.368 14.703 5.512 1.00 53.43 H new ATOM 0 HA GLU A 18 4.287 12.002 6.063 1.00 45.55 H new ATOM 0 HB2 GLU A 18 2.551 14.038 5.096 1.00 53.34 H new ATOM 0 HB3 GLU A 18 2.415 12.708 3.963 1.00 53.34 H new ATOM 0 HG2 GLU A 18 1.090 11.606 5.386 1.00 64.15 H new ATOM 0 HG3 GLU A 18 2.371 11.574 6.581 1.00 64.15 H new ATOM 287 N GLU A 19 4.898 12.611 2.869 1.00 72.42 N ATOM 288 CA GLU A 19 5.405 12.012 1.640 1.00 41.03 C ATOM 289 C GLU A 19 6.677 11.212 1.908 1.00 14.24 C ATOM 290 O GLU A 19 6.902 10.162 1.305 1.00 4.22 O ATOM 291 CB GLU A 19 5.682 13.095 0.595 1.00 2.32 C ATOM 292 CG GLU A 19 5.645 12.585 -0.836 1.00 24.05 C ATOM 293 CD GLU A 19 4.347 11.876 -1.169 1.00 0.21 C ATOM 294 OE1 GLU A 19 4.403 10.809 -1.815 1.00 65.12 O ATOM 295 OE2 GLU A 19 3.275 12.388 -0.784 1.00 41.34 O ATOM 0 H GLU A 19 4.701 13.610 2.802 1.00 72.42 H new ATOM 0 HA GLU A 19 4.643 11.333 1.257 1.00 41.03 H new ATOM 0 HB2 GLU A 19 4.947 13.892 0.707 1.00 2.32 H new ATOM 0 HB3 GLU A 19 6.660 13.534 0.790 1.00 2.32 H new ATOM 0 HG2 GLU A 19 5.783 13.422 -1.520 1.00 24.05 H new ATOM 0 HG3 GLU A 19 6.479 11.902 -0.996 1.00 24.05 H new ATOM 302 N LEU A 20 7.504 11.716 2.817 1.00 2.02 N ATOM 303 CA LEU A 20 8.754 11.050 3.167 1.00 61.23 C ATOM 304 C LEU A 20 8.487 9.759 3.935 1.00 40.40 C ATOM 305 O LEU A 20 8.801 8.667 3.461 1.00 14.24 O ATOM 306 CB LEU A 20 9.635 11.981 4.002 1.00 60.25 C ATOM 307 CG LEU A 20 11.139 11.895 3.739 1.00 1.45 C ATOM 308 CD1 LEU A 20 11.502 12.641 2.464 1.00 31.34 C ATOM 309 CD2 LEU A 20 11.919 12.449 4.923 1.00 30.12 C ATOM 0 H LEU A 20 7.332 12.584 3.325 1.00 2.02 H new ATOM 0 HA LEU A 20 9.275 10.800 2.243 1.00 61.23 H new ATOM 0 HB2 LEU A 20 9.314 13.008 3.826 1.00 60.25 H new ATOM 0 HB3 LEU A 20 9.458 11.768 5.056 1.00 60.25 H new ATOM 0 HG LEU A 20 11.407 10.846 3.610 1.00 1.45 H new ATOM 0 HD11 LEU A 20 12.576 12.569 2.293 1.00 31.34 H new ATOM 0 HD12 LEU A 20 10.970 12.200 1.621 1.00 31.34 H new ATOM 0 HD13 LEU A 20 11.220 13.689 2.563 1.00 31.34 H new ATOM 0 HD21 LEU A 20 12.988 12.380 4.719 1.00 30.12 H new ATOM 0 HD22 LEU A 20 11.646 13.492 5.082 1.00 30.12 H new ATOM 0 HD23 LEU A 20 11.682 11.872 5.817 1.00 30.12 H new ATOM 321 N ARG A 21 7.904 9.893 5.122 1.00 42.32 N ATOM 322 CA ARG A 21 7.594 8.738 5.955 1.00 12.12 C ATOM 323 C ARG A 21 6.803 7.697 5.168 1.00 20.15 C ATOM 324 O ARG A 21 6.891 6.500 5.442 1.00 11.53 O ATOM 325 CB ARG A 21 6.800 9.171 7.189 1.00 3.23 C ATOM 326 CG ARG A 21 7.598 9.103 8.481 1.00 21.33 C ATOM 327 CD ARG A 21 6.689 9.134 9.700 1.00 51.42 C ATOM 328 NE ARG A 21 5.847 10.327 9.723 1.00 13.33 N ATOM 329 CZ ARG A 21 4.841 10.500 10.574 1.00 3.51 C ATOM 330 NH1 ARG A 21 4.555 9.563 11.467 1.00 72.25 N ATOM 331 NH2 ARG A 21 4.121 11.614 10.534 1.00 74.14 N ATOM 0 H ARG A 21 7.637 10.790 5.528 1.00 42.32 H new ATOM 0 HA ARG A 21 8.534 8.289 6.275 1.00 12.12 H new ATOM 0 HB2 ARG A 21 6.446 10.192 7.043 1.00 3.23 H new ATOM 0 HB3 ARG A 21 5.917 8.538 7.283 1.00 3.23 H new ATOM 0 HG2 ARG A 21 8.195 8.191 8.494 1.00 21.33 H new ATOM 0 HG3 ARG A 21 8.295 9.940 8.524 1.00 21.33 H new ATOM 0 HD2 ARG A 21 6.059 8.245 9.705 1.00 51.42 H new ATOM 0 HD3 ARG A 21 7.295 9.100 10.605 1.00 51.42 H new ATOM 0 HE ARG A 21 6.042 11.068 9.049 1.00 13.33 H new ATOM 0 HH11 ARG A 21 5.108 8.706 11.502 1.00 72.25 H new ATOM 0 HH12 ARG A 21 3.782 9.699 12.119 1.00 72.25 H new ATOM 0 HH21 ARG A 21 4.340 12.338 9.850 1.00 74.14 H new ATOM 0 HH22 ARG A 21 3.349 11.746 11.187 1.00 74.14 H new ATOM 345 N GLU A 22 6.031 8.162 4.191 1.00 62.20 N ATOM 346 CA GLU A 22 5.224 7.270 3.366 1.00 3.32 C ATOM 347 C GLU A 22 6.062 6.658 2.247 1.00 55.22 C ATOM 348 O GLU A 22 5.826 5.525 1.830 1.00 71.41 O ATOM 349 CB GLU A 22 4.034 8.027 2.772 1.00 30.45 C ATOM 350 CG GLU A 22 3.242 7.217 1.760 1.00 62.34 C ATOM 351 CD GLU A 22 1.754 7.500 1.821 1.00 11.13 C ATOM 352 OE1 GLU A 22 0.982 6.557 2.093 1.00 32.23 O ATOM 353 OE2 GLU A 22 1.361 8.664 1.598 1.00 41.15 O ATOM 0 H GLU A 22 5.947 9.150 3.951 1.00 62.20 H new ATOM 0 HA GLU A 22 4.853 6.465 4.000 1.00 3.32 H new ATOM 0 HB2 GLU A 22 3.369 8.334 3.580 1.00 30.45 H new ATOM 0 HB3 GLU A 22 4.395 8.937 2.294 1.00 30.45 H new ATOM 0 HG2 GLU A 22 3.609 7.437 0.757 1.00 62.34 H new ATOM 0 HG3 GLU A 22 3.413 6.155 1.936 1.00 62.34 H new ATOM 360 N ALA A 23 7.040 7.418 1.765 1.00 72.44 N ATOM 361 CA ALA A 23 7.913 6.951 0.695 1.00 21.51 C ATOM 362 C ALA A 23 8.809 5.814 1.175 1.00 4.12 C ATOM 363 O ALA A 23 9.290 5.009 0.377 1.00 23.43 O ATOM 364 CB ALA A 23 8.755 8.100 0.161 1.00 20.13 C ATOM 0 H ALA A 23 7.248 8.359 2.098 1.00 72.44 H new ATOM 0 HA ALA A 23 7.287 6.570 -0.111 1.00 21.51 H new ATOM 0 HB1 ALA A 23 9.402 7.737 -0.637 1.00 20.13 H new ATOM 0 HB2 ALA A 23 8.101 8.880 -0.229 1.00 20.13 H new ATOM 0 HB3 ALA A 23 9.366 8.508 0.966 1.00 20.13 H new ATOM 370 N THR A 24 9.032 5.754 2.485 1.00 53.54 N ATOM 371 CA THR A 24 9.872 4.718 3.071 1.00 71.12 C ATOM 372 C THR A 24 9.130 3.389 3.151 1.00 70.31 C ATOM 373 O THR A 24 9.746 2.324 3.175 1.00 21.21 O ATOM 374 CB THR A 24 10.349 5.112 4.481 1.00 10.43 C ATOM 375 OG1 THR A 24 9.418 6.024 5.076 1.00 23.42 O ATOM 376 CG2 THR A 24 11.728 5.752 4.427 1.00 62.20 C ATOM 0 H THR A 24 8.642 6.412 3.160 1.00 53.54 H new ATOM 0 HA THR A 24 10.739 4.609 2.420 1.00 71.12 H new ATOM 0 HB THR A 24 10.409 4.207 5.086 1.00 10.43 H new ATOM 0 HG1 THR A 24 8.507 5.682 4.962 1.00 23.42 H new ATOM 0 HG21 THR A 24 12.044 6.022 5.435 1.00 62.20 H new ATOM 0 HG22 THR A 24 12.440 5.046 4.000 1.00 62.20 H new ATOM 0 HG23 THR A 24 11.689 6.648 3.807 1.00 62.20 H new ATOM 384 N ALA A 25 7.803 3.458 3.191 1.00 4.31 N ATOM 385 CA ALA A 25 6.977 2.260 3.266 1.00 65.44 C ATOM 386 C ALA A 25 6.535 1.811 1.877 1.00 30.30 C ATOM 387 O ALA A 25 5.653 0.963 1.740 1.00 13.31 O ATOM 388 CB ALA A 25 5.767 2.507 4.153 1.00 13.31 C ATOM 0 H ALA A 25 7.277 4.332 3.173 1.00 4.31 H new ATOM 0 HA ALA A 25 7.577 1.462 3.704 1.00 65.44 H new ATOM 0 HB1 ALA A 25 5.159 1.603 4.199 1.00 13.31 H new ATOM 0 HB2 ALA A 25 6.100 2.773 5.156 1.00 13.31 H new ATOM 0 HB3 ALA A 25 5.173 3.322 3.740 1.00 13.31 H new ATOM 394 N SER A 26 7.153 2.385 0.850 1.00 72.33 N ATOM 395 CA SER A 26 6.819 2.047 -0.529 1.00 21.40 C ATOM 396 C SER A 26 7.020 0.556 -0.787 1.00 14.24 C ATOM 397 O SER A 26 7.642 -0.144 0.010 1.00 22.14 O ATOM 398 CB SER A 26 7.676 2.863 -1.498 1.00 52.14 C ATOM 399 OG SER A 26 8.985 2.330 -1.594 1.00 45.44 O ATOM 0 H SER A 26 7.888 3.086 0.946 1.00 72.33 H new ATOM 0 HA SER A 26 5.769 2.288 -0.692 1.00 21.40 H new ATOM 0 HB2 SER A 26 7.210 2.870 -2.483 1.00 52.14 H new ATOM 0 HB3 SER A 26 7.725 3.898 -1.161 1.00 52.14 H new ATOM 0 HG SER A 26 9.309 2.095 -0.699 1.00 45.44 H new ATOM 405 N ASN A 27 6.487 0.079 -1.907 1.00 33.23 N ATOM 406 CA ASN A 27 6.606 -1.328 -2.270 1.00 71.45 C ATOM 407 C ASN A 27 7.714 -1.532 -3.299 1.00 72.34 C ATOM 408 O ASN A 27 7.522 -2.213 -4.307 1.00 34.53 O ATOM 409 CB ASN A 27 5.278 -1.848 -2.825 1.00 13.40 C ATOM 410 CG ASN A 27 4.928 -1.226 -4.163 1.00 74.43 C ATOM 411 OD1 ASN A 27 5.359 -0.117 -4.477 1.00 12.20 O ATOM 412 ND2 ASN A 27 4.141 -1.941 -4.960 1.00 24.33 N ATOM 0 H ASN A 27 5.969 0.646 -2.578 1.00 33.23 H new ATOM 0 HA ASN A 27 6.861 -1.889 -1.371 1.00 71.45 H new ATOM 0 HB2 ASN A 27 5.332 -2.931 -2.934 1.00 13.40 H new ATOM 0 HB3 ASN A 27 4.482 -1.639 -2.111 1.00 13.40 H new ATOM 0 HD21 ASN A 27 3.871 -1.574 -5.873 1.00 24.33 H new ATOM 0 HD22 ASN A 27 3.807 -2.856 -4.659 1.00 24.33 H new ATOM 419 N ARG A 28 8.873 -0.938 -3.038 1.00 3.11 N ATOM 420 CA ARG A 28 10.012 -1.054 -3.941 1.00 51.50 C ATOM 421 C ARG A 28 11.299 -0.611 -3.252 1.00 45.11 C ATOM 422 O ARG A 28 11.325 -0.401 -2.039 1.00 23.20 O ATOM 423 CB ARG A 28 9.780 -0.215 -5.199 1.00 54.40 C ATOM 424 CG ARG A 28 9.945 1.279 -4.974 1.00 4.41 C ATOM 425 CD ARG A 28 9.772 2.060 -6.267 1.00 44.23 C ATOM 426 NE ARG A 28 8.504 2.782 -6.305 1.00 54.42 N ATOM 427 CZ ARG A 28 8.265 3.886 -5.606 1.00 42.42 C ATOM 428 NH1 ARG A 28 9.205 4.393 -4.820 1.00 32.24 N ATOM 429 NH2 ARG A 28 7.085 4.487 -5.694 1.00 21.34 N ATOM 0 H ARG A 28 9.049 -0.371 -2.208 1.00 3.11 H new ATOM 0 HA ARG A 28 10.114 -2.102 -4.225 1.00 51.50 H new ATOM 0 HB2 ARG A 28 10.477 -0.536 -5.973 1.00 54.40 H new ATOM 0 HB3 ARG A 28 8.775 -0.408 -5.574 1.00 54.40 H new ATOM 0 HG2 ARG A 28 9.214 1.620 -4.241 1.00 4.41 H new ATOM 0 HG3 ARG A 28 10.932 1.478 -4.557 1.00 4.41 H new ATOM 0 HD2 ARG A 28 10.595 2.767 -6.376 1.00 44.23 H new ATOM 0 HD3 ARG A 28 9.825 1.376 -7.114 1.00 44.23 H new ATOM 0 HE ARG A 28 7.760 2.419 -6.901 1.00 54.42 H new ATOM 0 HH11 ARG A 28 10.114 3.935 -4.751 1.00 32.24 H new ATOM 0 HH12 ARG A 28 9.019 5.241 -4.284 1.00 32.24 H new ATOM 0 HH21 ARG A 28 6.360 4.101 -6.299 1.00 21.34 H new ATOM 0 HH22 ARG A 28 6.903 5.335 -5.157 1.00 21.34 H new ATOM 443 N ILE A 29 12.365 -0.471 -4.034 1.00 32.42 N ATOM 444 CA ILE A 29 13.655 -0.053 -3.499 1.00 33.40 C ATOM 445 C ILE A 29 14.048 1.323 -4.025 1.00 60.20 C ATOM 446 O ILE A 29 14.411 1.472 -5.192 1.00 2.24 O ATOM 447 CB ILE A 29 14.764 -1.062 -3.852 1.00 10.22 C ATOM 448 CG1 ILE A 29 14.342 -2.478 -3.453 1.00 40.53 C ATOM 449 CG2 ILE A 29 16.066 -0.678 -3.165 1.00 63.32 C ATOM 450 CD1 ILE A 29 13.828 -3.303 -4.612 1.00 32.34 C ATOM 0 H ILE A 29 12.360 -0.641 -5.040 1.00 32.42 H new ATOM 0 HA ILE A 29 13.548 -0.008 -2.415 1.00 33.40 H new ATOM 0 HB ILE A 29 14.924 -1.042 -4.930 1.00 10.22 H new ATOM 0 HG12 ILE A 29 15.193 -2.989 -3.003 1.00 40.53 H new ATOM 0 HG13 ILE A 29 13.567 -2.416 -2.689 1.00 40.53 H new ATOM 0 HG21 ILE A 29 16.841 -1.400 -3.424 1.00 63.32 H new ATOM 0 HG22 ILE A 29 16.372 0.315 -3.494 1.00 63.32 H new ATOM 0 HG23 ILE A 29 15.920 -0.674 -2.085 1.00 63.32 H new ATOM 0 HD11 ILE A 29 13.547 -4.294 -4.257 1.00 32.34 H new ATOM 0 HD12 ILE A 29 12.957 -2.814 -5.049 1.00 32.34 H new ATOM 0 HD13 ILE A 29 14.609 -3.396 -5.367 1.00 32.34 H new ATOM 462 N SER A 30 13.975 2.326 -3.156 1.00 32.32 N ATOM 463 CA SER A 30 14.321 3.691 -3.533 1.00 24.01 C ATOM 464 C SER A 30 15.527 4.184 -2.739 1.00 0.52 C ATOM 465 O SER A 30 15.574 4.056 -1.515 1.00 62.44 O ATOM 466 CB SER A 30 13.130 4.623 -3.305 1.00 41.53 C ATOM 467 OG SER A 30 11.938 4.066 -3.832 1.00 3.21 O ATOM 0 H SER A 30 13.679 2.219 -2.186 1.00 32.32 H new ATOM 0 HA SER A 30 14.579 3.695 -4.592 1.00 24.01 H new ATOM 0 HB2 SER A 30 13.008 4.808 -2.238 1.00 41.53 H new ATOM 0 HB3 SER A 30 13.323 5.587 -3.775 1.00 41.53 H new ATOM 0 HG SER A 30 11.890 4.246 -4.794 1.00 3.21 H new ATOM 473 N VAL A 31 16.501 4.751 -3.444 1.00 60.54 N ATOM 474 CA VAL A 31 17.707 5.265 -2.807 1.00 22.00 C ATOM 475 C VAL A 31 17.453 6.626 -2.168 1.00 24.30 C ATOM 476 O VAL A 31 17.522 7.658 -2.835 1.00 42.41 O ATOM 477 CB VAL A 31 18.865 5.391 -3.815 1.00 54.54 C ATOM 478 CG1 VAL A 31 20.159 5.749 -3.101 1.00 30.32 C ATOM 479 CG2 VAL A 31 19.022 4.103 -4.609 1.00 41.52 C ATOM 0 H VAL A 31 16.478 4.866 -4.457 1.00 60.54 H new ATOM 0 HA VAL A 31 17.986 4.550 -2.033 1.00 22.00 H new ATOM 0 HB VAL A 31 18.630 6.195 -4.513 1.00 54.54 H new ATOM 0 HG11 VAL A 31 20.965 5.834 -3.830 1.00 30.32 H new ATOM 0 HG12 VAL A 31 20.037 6.700 -2.582 1.00 30.32 H new ATOM 0 HG13 VAL A 31 20.403 4.970 -2.378 1.00 30.32 H new ATOM 0 HG21 VAL A 31 19.844 4.210 -5.316 1.00 41.52 H new ATOM 0 HG22 VAL A 31 19.234 3.279 -3.928 1.00 41.52 H new ATOM 0 HG23 VAL A 31 18.100 3.896 -5.153 1.00 41.52 H new ATOM 489 N ILE A 32 17.160 6.619 -0.872 1.00 5.00 N ATOM 490 CA ILE A 32 16.898 7.853 -0.142 1.00 41.33 C ATOM 491 C ILE A 32 18.197 8.574 0.204 1.00 74.02 C ATOM 492 O ILE A 32 19.019 8.063 0.964 1.00 0.44 O ATOM 493 CB ILE A 32 16.112 7.584 1.154 1.00 10.45 C ATOM 494 CG1 ILE A 32 14.775 6.911 0.836 1.00 3.31 C ATOM 495 CG2 ILE A 32 15.890 8.882 1.918 1.00 74.53 C ATOM 496 CD1 ILE A 32 14.392 5.831 1.823 1.00 5.03 C ATOM 0 H ILE A 32 17.098 5.773 -0.306 1.00 5.00 H new ATOM 0 HA ILE A 32 16.298 8.485 -0.796 1.00 41.33 H new ATOM 0 HB ILE A 32 16.695 6.911 1.782 1.00 10.45 H new ATOM 0 HG12 ILE A 32 13.992 7.669 0.817 1.00 3.31 H new ATOM 0 HG13 ILE A 32 14.824 6.478 -0.163 1.00 3.31 H new ATOM 0 HG21 ILE A 32 15.333 8.676 2.832 1.00 74.53 H new ATOM 0 HG22 ILE A 32 16.853 9.324 2.172 1.00 74.53 H new ATOM 0 HG23 ILE A 32 15.324 9.577 1.298 1.00 74.53 H new ATOM 0 HD11 ILE A 32 13.434 5.398 1.535 1.00 5.03 H new ATOM 0 HD12 ILE A 32 15.156 5.053 1.826 1.00 5.03 H new ATOM 0 HD13 ILE A 32 14.310 6.262 2.821 1.00 5.03 H new ATOM 508 N VAL A 33 18.374 9.765 -0.359 1.00 11.45 N ATOM 509 CA VAL A 33 19.571 10.559 -0.107 1.00 60.35 C ATOM 510 C VAL A 33 19.211 11.961 0.369 1.00 52.53 C ATOM 511 O VAL A 33 18.497 12.696 -0.314 1.00 14.22 O ATOM 512 CB VAL A 33 20.448 10.666 -1.369 1.00 50.21 C ATOM 513 CG1 VAL A 33 21.773 11.338 -1.043 1.00 23.52 C ATOM 514 CG2 VAL A 33 20.673 9.291 -1.979 1.00 45.14 C ATOM 0 H VAL A 33 17.704 10.201 -0.992 1.00 11.45 H new ATOM 0 HA VAL A 33 20.132 10.047 0.675 1.00 60.35 H new ATOM 0 HB VAL A 33 19.927 11.282 -2.102 1.00 50.21 H new ATOM 0 HG11 VAL A 33 22.379 11.405 -1.946 1.00 23.52 H new ATOM 0 HG12 VAL A 33 21.587 12.340 -0.656 1.00 23.52 H new ATOM 0 HG13 VAL A 33 22.303 10.752 -0.293 1.00 23.52 H new ATOM 0 HG21 VAL A 33 21.294 9.385 -2.870 1.00 45.14 H new ATOM 0 HG22 VAL A 33 21.173 8.649 -1.254 1.00 45.14 H new ATOM 0 HG23 VAL A 33 19.713 8.852 -2.251 1.00 45.14 H new ATOM 524 N PHE A 34 19.710 12.328 1.544 1.00 23.35 N ATOM 525 CA PHE A 34 19.441 13.643 2.113 1.00 10.23 C ATOM 526 C PHE A 34 20.460 14.667 1.623 1.00 44.05 C ATOM 527 O PHE A 34 21.644 14.590 1.952 1.00 24.44 O ATOM 528 CB PHE A 34 19.464 13.576 3.642 1.00 62.23 C ATOM 529 CG PHE A 34 19.133 12.216 4.187 1.00 62.01 C ATOM 530 CD1 PHE A 34 17.914 11.620 3.906 1.00 1.42 C ATOM 531 CD2 PHE A 34 20.041 11.534 4.981 1.00 60.44 C ATOM 532 CE1 PHE A 34 17.606 10.369 4.406 1.00 25.10 C ATOM 533 CE2 PHE A 34 19.739 10.282 5.483 1.00 62.12 C ATOM 534 CZ PHE A 34 18.520 9.699 5.196 1.00 10.43 C ATOM 0 H PHE A 34 20.304 11.733 2.121 1.00 23.35 H new ATOM 0 HA PHE A 34 18.450 13.957 1.785 1.00 10.23 H new ATOM 0 HB2 PHE A 34 20.452 13.870 3.996 1.00 62.23 H new ATOM 0 HB3 PHE A 34 18.754 14.301 4.040 1.00 62.23 H new ATOM 0 HD1 PHE A 34 17.196 12.139 3.289 1.00 1.42 H new ATOM 0 HD2 PHE A 34 20.995 11.986 5.210 1.00 60.44 H new ATOM 0 HE1 PHE A 34 16.652 9.916 4.179 1.00 25.10 H new ATOM 0 HE2 PHE A 34 20.456 9.760 6.099 1.00 62.12 H new ATOM 0 HZ PHE A 34 18.282 8.721 5.588 1.00 10.43 H new ATOM 544 N THR A 35 19.992 15.627 0.831 1.00 42.11 N ATOM 545 CA THR A 35 20.862 16.666 0.293 1.00 75.44 C ATOM 546 C THR A 35 20.117 17.989 0.155 1.00 63.32 C ATOM 547 O THR A 35 18.963 18.022 -0.272 1.00 74.41 O ATOM 548 CB THR A 35 21.431 16.265 -1.081 1.00 65.31 C ATOM 549 OG1 THR A 35 20.542 15.352 -1.733 1.00 72.41 O ATOM 550 CG2 THR A 35 22.803 15.625 -0.932 1.00 24.41 C ATOM 0 H THR A 35 19.015 15.706 0.548 1.00 42.11 H new ATOM 0 HA THR A 35 21.685 16.787 0.998 1.00 75.44 H new ATOM 0 HB THR A 35 21.531 17.167 -1.685 1.00 65.31 H new ATOM 0 HG1 THR A 35 20.911 15.104 -2.606 1.00 72.41 H new ATOM 0 HG21 THR A 35 23.185 15.350 -1.915 1.00 24.41 H new ATOM 0 HG22 THR A 35 23.486 16.333 -0.462 1.00 24.41 H new ATOM 0 HG23 THR A 35 22.723 14.733 -0.311 1.00 24.41 H new ATOM 558 N HIS A 36 20.785 19.079 0.518 1.00 24.01 N ATOM 559 CA HIS A 36 20.187 20.406 0.433 1.00 13.34 C ATOM 560 C HIS A 36 19.604 20.652 -0.955 1.00 72.31 C ATOM 561 O HIS A 36 20.038 20.069 -1.949 1.00 12.10 O ATOM 562 CB HIS A 36 21.226 21.479 0.760 1.00 13.40 C ATOM 563 CG HIS A 36 21.757 21.393 2.158 1.00 52.12 C ATOM 564 ND1 HIS A 36 21.116 21.954 3.242 1.00 2.42 N ATOM 565 CD2 HIS A 36 22.874 20.805 2.646 1.00 71.13 C ATOM 566 CE1 HIS A 36 21.817 21.717 4.336 1.00 22.34 C ATOM 567 NE2 HIS A 36 22.888 21.020 4.002 1.00 45.32 N ATOM 0 H HIS A 36 21.741 19.069 0.874 1.00 24.01 H new ATOM 0 HA HIS A 36 19.378 20.460 1.162 1.00 13.34 H new ATOM 0 HB2 HIS A 36 22.056 21.394 0.059 1.00 13.40 H new ATOM 0 HB3 HIS A 36 20.780 22.462 0.609 1.00 13.40 H new ATOM 0 HD2 HIS A 36 23.616 20.267 2.075 1.00 71.13 H new ATOM 0 HE1 HIS A 36 21.558 22.039 5.334 1.00 22.34 H new ATOM 0 HE2 HIS A 36 23.608 20.694 4.647 1.00 45.32 H new ATOM 575 N PRO A 37 18.596 21.534 -1.027 1.00 1.11 N ATOM 576 CA PRO A 37 17.932 21.876 -2.288 1.00 41.42 C ATOM 577 C PRO A 37 18.833 22.682 -3.218 1.00 24.40 C ATOM 578 O PRO A 37 18.958 22.368 -4.402 1.00 25.11 O ATOM 579 CB PRO A 37 16.735 22.719 -1.841 1.00 41.45 C ATOM 580 CG PRO A 37 17.147 23.297 -0.531 1.00 55.24 C ATOM 581 CD PRO A 37 18.028 22.266 0.117 1.00 12.05 C ATOM 0 HA PRO A 37 17.657 20.988 -2.858 1.00 41.42 H new ATOM 0 HB2 PRO A 37 16.509 23.501 -2.565 1.00 41.45 H new ATOM 0 HB3 PRO A 37 15.837 22.109 -1.740 1.00 41.45 H new ATOM 0 HG2 PRO A 37 17.682 24.236 -0.670 1.00 55.24 H new ATOM 0 HG3 PRO A 37 16.278 23.514 0.090 1.00 55.24 H new ATOM 0 HD2 PRO A 37 18.806 22.727 0.725 1.00 12.05 H new ATOM 0 HD3 PRO A 37 17.459 21.607 0.773 1.00 12.05 H new ATOM 589 N ASP A 38 19.459 23.720 -2.675 1.00 24.43 N ATOM 590 CA ASP A 38 20.351 24.569 -3.456 1.00 10.23 C ATOM 591 C ASP A 38 21.800 24.389 -3.013 1.00 34.30 C ATOM 592 O ASP A 38 22.342 25.214 -2.279 1.00 1.34 O ATOM 593 CB ASP A 38 19.942 26.037 -3.319 1.00 32.54 C ATOM 594 CG ASP A 38 20.950 26.980 -3.944 1.00 63.34 C ATOM 595 OD1 ASP A 38 21.482 27.847 -3.219 1.00 60.42 O ATOM 596 OD2 ASP A 38 21.209 26.850 -5.159 1.00 53.51 O ATOM 0 H ASP A 38 19.365 23.994 -1.697 1.00 24.43 H new ATOM 0 HA ASP A 38 20.270 24.273 -4.502 1.00 10.23 H new ATOM 0 HB2 ASP A 38 18.970 26.186 -3.789 1.00 32.54 H new ATOM 0 HB3 ASP A 38 19.826 26.282 -2.263 1.00 32.54 H new ATOM 601 N SER A 39 22.420 23.303 -3.464 1.00 10.12 N ATOM 602 CA SER A 39 23.804 23.011 -3.110 1.00 43.43 C ATOM 603 C SER A 39 24.723 23.193 -4.315 1.00 75.11 C ATOM 604 O SER A 39 24.883 22.285 -5.131 1.00 53.23 O ATOM 605 CB SER A 39 23.926 21.584 -2.573 1.00 13.23 C ATOM 606 OG SER A 39 24.569 21.568 -1.310 1.00 72.10 O ATOM 0 H SER A 39 21.986 22.611 -4.075 1.00 10.12 H new ATOM 0 HA SER A 39 24.109 23.711 -2.332 1.00 43.43 H new ATOM 0 HB2 SER A 39 22.935 21.139 -2.486 1.00 13.23 H new ATOM 0 HB3 SER A 39 24.489 20.973 -3.279 1.00 13.23 H new ATOM 0 HG SER A 39 24.633 20.645 -0.987 1.00 72.10 H new ATOM 612 N LYS A 40 25.324 24.373 -4.420 1.00 0.00 N ATOM 613 CA LYS A 40 26.228 24.676 -5.523 1.00 52.32 C ATOM 614 C LYS A 40 27.596 24.041 -5.296 1.00 51.12 C ATOM 615 O LYS A 40 28.119 23.344 -6.166 1.00 33.45 O ATOM 616 CB LYS A 40 26.377 26.191 -5.685 1.00 65.34 C ATOM 617 CG LYS A 40 26.766 26.616 -7.091 1.00 10.43 C ATOM 618 CD LYS A 40 28.234 27.001 -7.171 1.00 71.42 C ATOM 619 CE LYS A 40 28.945 26.252 -8.288 1.00 45.40 C ATOM 620 NZ LYS A 40 29.032 27.065 -9.533 1.00 0.12 N ATOM 0 H LYS A 40 25.201 25.136 -3.754 1.00 0.00 H new ATOM 0 HA LYS A 40 25.801 24.259 -6.435 1.00 52.32 H new ATOM 0 HB2 LYS A 40 25.436 26.671 -5.416 1.00 65.34 H new ATOM 0 HB3 LYS A 40 27.130 26.551 -4.984 1.00 65.34 H new ATOM 0 HG2 LYS A 40 26.564 25.802 -7.787 1.00 10.43 H new ATOM 0 HG3 LYS A 40 26.150 27.460 -7.400 1.00 10.43 H new ATOM 0 HD2 LYS A 40 28.321 28.075 -7.338 1.00 71.42 H new ATOM 0 HD3 LYS A 40 28.720 26.786 -6.220 1.00 71.42 H new ATOM 0 HE2 LYS A 40 29.949 25.980 -7.961 1.00 45.40 H new ATOM 0 HE3 LYS A 40 28.415 25.323 -8.497 1.00 45.40 H new ATOM 0 HZ1 LYS A 40 29.523 26.520 -10.270 1.00 0.12 H new ATOM 0 HZ2 LYS A 40 28.074 27.304 -9.859 1.00 0.12 H new ATOM 0 HZ3 LYS A 40 29.560 27.940 -9.340 1.00 0.12 H new ATOM 634 N ARG A 41 28.169 24.286 -4.123 1.00 25.24 N ATOM 635 CA ARG A 41 29.477 23.737 -3.782 1.00 15.22 C ATOM 636 C ARG A 41 29.414 22.217 -3.665 1.00 45.02 C ATOM 637 O ARG A 41 30.423 21.530 -3.826 1.00 4.50 O ATOM 638 CB ARG A 41 29.980 24.340 -2.469 1.00 32.01 C ATOM 639 CG ARG A 41 30.575 25.730 -2.625 1.00 72.25 C ATOM 640 CD ARG A 41 31.952 25.822 -1.986 1.00 75.32 C ATOM 641 NE ARG A 41 32.503 27.171 -2.067 1.00 5.42 N ATOM 642 CZ ARG A 41 33.785 27.455 -1.860 1.00 34.00 C ATOM 643 NH1 ARG A 41 34.641 26.488 -1.562 1.00 64.02 N ATOM 644 NH2 ARG A 41 34.211 28.708 -1.951 1.00 41.24 N ATOM 0 H ARG A 41 27.749 24.861 -3.392 1.00 25.24 H new ATOM 0 HA ARG A 41 30.172 23.994 -4.582 1.00 15.22 H new ATOM 0 HB2 ARG A 41 29.153 24.385 -1.760 1.00 32.01 H new ATOM 0 HB3 ARG A 41 30.732 23.678 -2.040 1.00 32.01 H new ATOM 0 HG2 ARG A 41 30.647 25.979 -3.684 1.00 72.25 H new ATOM 0 HG3 ARG A 41 29.911 26.464 -2.169 1.00 72.25 H new ATOM 0 HD2 ARG A 41 31.888 25.519 -0.941 1.00 75.32 H new ATOM 0 HD3 ARG A 41 32.628 25.124 -2.480 1.00 75.32 H new ATOM 0 HE ARG A 41 31.870 27.938 -2.295 1.00 5.42 H new ATOM 0 HH11 ARG A 41 34.317 25.524 -1.491 1.00 64.02 H new ATOM 0 HH12 ARG A 41 35.624 26.708 -1.404 1.00 64.02 H new ATOM 0 HH21 ARG A 41 33.555 29.454 -2.180 1.00 41.24 H new ATOM 0 HH22 ARG A 41 35.195 28.925 -1.792 1.00 41.24 H new ATOM 658 N SER A 42 28.223 21.698 -3.384 1.00 44.30 N ATOM 659 CA SER A 42 28.030 20.260 -3.241 1.00 44.04 C ATOM 660 C SER A 42 27.067 19.734 -4.301 1.00 31.42 C ATOM 661 O SER A 42 26.712 20.443 -5.242 1.00 14.41 O ATOM 662 CB SER A 42 27.500 19.931 -1.845 1.00 12.33 C ATOM 663 OG SER A 42 28.275 18.916 -1.231 1.00 35.03 O ATOM 0 H SER A 42 27.377 22.252 -3.251 1.00 44.30 H new ATOM 0 HA SER A 42 28.995 19.773 -3.378 1.00 44.04 H new ATOM 0 HB2 SER A 42 27.515 20.828 -1.226 1.00 12.33 H new ATOM 0 HB3 SER A 42 26.461 19.608 -1.914 1.00 12.33 H new ATOM 0 HG SER A 42 27.917 18.725 -0.339 1.00 35.03 H new ATOM 669 N LYS A 43 26.647 18.483 -4.141 1.00 3.15 N ATOM 670 CA LYS A 43 25.724 17.859 -5.081 1.00 31.03 C ATOM 671 C LYS A 43 26.357 17.733 -6.463 1.00 11.22 C ATOM 672 O LYS A 43 25.664 17.509 -7.454 1.00 74.42 O ATOM 673 CB LYS A 43 24.430 18.672 -5.173 1.00 24.34 C ATOM 674 CG LYS A 43 23.262 18.040 -4.436 1.00 12.42 C ATOM 675 CD LYS A 43 21.940 18.671 -4.842 1.00 4.12 C ATOM 676 CE LYS A 43 20.818 17.645 -4.868 1.00 12.12 C ATOM 677 NZ LYS A 43 19.953 17.799 -6.071 1.00 4.04 N ATOM 0 H LYS A 43 26.932 17.881 -3.368 1.00 3.15 H new ATOM 0 HA LYS A 43 25.492 16.859 -4.714 1.00 31.03 H new ATOM 0 HB2 LYS A 43 24.607 19.669 -4.769 1.00 24.34 H new ATOM 0 HB3 LYS A 43 24.162 18.796 -6.222 1.00 24.34 H new ATOM 0 HG2 LYS A 43 23.235 16.970 -4.644 1.00 12.42 H new ATOM 0 HG3 LYS A 43 23.405 18.152 -3.361 1.00 12.42 H new ATOM 0 HD2 LYS A 43 21.688 19.470 -4.145 1.00 4.12 H new ATOM 0 HD3 LYS A 43 22.040 19.127 -5.827 1.00 4.12 H new ATOM 0 HE2 LYS A 43 21.243 16.641 -4.853 1.00 12.12 H new ATOM 0 HE3 LYS A 43 20.211 17.748 -3.969 1.00 12.12 H new ATOM 0 HZ1 LYS A 43 19.200 17.081 -6.052 1.00 4.04 H new ATOM 0 HZ2 LYS A 43 19.527 18.748 -6.073 1.00 4.04 H new ATOM 0 HZ3 LYS A 43 20.527 17.676 -6.929 1.00 4.04 H new ATOM 691 N GLU A 44 27.677 17.878 -6.520 1.00 2.35 N ATOM 692 CA GLU A 44 28.402 17.780 -7.781 1.00 22.12 C ATOM 693 C GLU A 44 28.511 16.327 -8.234 1.00 74.13 C ATOM 694 O GLU A 44 28.355 16.022 -9.417 1.00 62.30 O ATOM 695 CB GLU A 44 29.800 18.387 -7.640 1.00 54.31 C ATOM 696 CG GLU A 44 30.642 17.731 -6.559 1.00 43.42 C ATOM 697 CD GLU A 44 31.977 18.423 -6.361 1.00 23.45 C ATOM 698 OE1 GLU A 44 32.687 18.073 -5.394 1.00 44.43 O ATOM 699 OE2 GLU A 44 32.312 19.312 -7.170 1.00 52.24 O ATOM 0 H GLU A 44 28.266 18.064 -5.708 1.00 2.35 H new ATOM 0 HA GLU A 44 27.846 18.337 -8.535 1.00 22.12 H new ATOM 0 HB2 GLU A 44 30.321 18.305 -8.594 1.00 54.31 H new ATOM 0 HB3 GLU A 44 29.705 19.450 -7.419 1.00 54.31 H new ATOM 0 HG2 GLU A 44 30.090 17.738 -5.619 1.00 43.42 H new ATOM 0 HG3 GLU A 44 30.813 16.687 -6.820 1.00 43.42 H new ATOM 706 N ILE A 45 28.779 15.436 -7.286 1.00 35.22 N ATOM 707 CA ILE A 45 28.907 14.015 -7.587 1.00 42.50 C ATOM 708 C ILE A 45 27.571 13.422 -8.019 1.00 33.10 C ATOM 709 O ILE A 45 27.512 12.306 -8.537 1.00 2.40 O ATOM 710 CB ILE A 45 29.438 13.229 -6.374 1.00 74.51 C ATOM 711 CG1 ILE A 45 28.520 13.431 -5.166 1.00 61.25 C ATOM 712 CG2 ILE A 45 30.859 13.659 -6.044 1.00 61.31 C ATOM 713 CD1 ILE A 45 27.366 12.455 -5.115 1.00 34.24 C ATOM 0 H ILE A 45 28.912 15.673 -6.303 1.00 35.22 H new ATOM 0 HA ILE A 45 29.621 13.929 -8.406 1.00 42.50 H new ATOM 0 HB ILE A 45 29.450 12.168 -6.624 1.00 74.51 H new ATOM 0 HG12 ILE A 45 29.108 13.334 -4.253 1.00 61.25 H new ATOM 0 HG13 ILE A 45 28.126 14.447 -5.185 1.00 61.25 H new ATOM 0 HG21 ILE A 45 31.220 13.094 -5.184 1.00 61.31 H new ATOM 0 HG22 ILE A 45 31.505 13.468 -6.901 1.00 61.31 H new ATOM 0 HG23 ILE A 45 30.872 14.724 -5.810 1.00 61.31 H new ATOM 0 HD11 ILE A 45 26.758 12.657 -4.233 1.00 34.24 H new ATOM 0 HD12 ILE A 45 26.755 12.567 -6.011 1.00 34.24 H new ATOM 0 HD13 ILE A 45 27.752 11.437 -5.064 1.00 34.24 H new ATOM 725 N LYS A 46 26.498 14.176 -7.804 1.00 73.41 N ATOM 726 CA LYS A 46 25.160 13.727 -8.174 1.00 25.15 C ATOM 727 C LYS A 46 25.143 13.185 -9.599 1.00 51.13 C ATOM 728 O LYS A 46 24.559 12.135 -9.866 1.00 41.42 O ATOM 729 CB LYS A 46 24.160 14.877 -8.041 1.00 53.14 C ATOM 730 CG LYS A 46 23.844 15.246 -6.602 1.00 41.53 C ATOM 731 CD LYS A 46 23.062 14.147 -5.903 1.00 55.43 C ATOM 732 CE LYS A 46 23.505 13.980 -4.458 1.00 42.11 C ATOM 733 NZ LYS A 46 24.196 12.679 -4.237 1.00 14.41 N ATOM 0 H LYS A 46 26.529 15.101 -7.375 1.00 73.41 H new ATOM 0 HA LYS A 46 24.872 12.924 -7.496 1.00 25.15 H new ATOM 0 HB2 LYS A 46 24.557 15.753 -8.553 1.00 53.14 H new ATOM 0 HB3 LYS A 46 23.235 14.603 -8.548 1.00 53.14 H new ATOM 0 HG2 LYS A 46 24.772 15.434 -6.062 1.00 41.53 H new ATOM 0 HG3 LYS A 46 23.270 16.172 -6.581 1.00 41.53 H new ATOM 0 HD2 LYS A 46 21.998 14.381 -5.934 1.00 55.43 H new ATOM 0 HD3 LYS A 46 23.197 13.207 -6.437 1.00 55.43 H new ATOM 0 HE2 LYS A 46 24.173 14.797 -4.186 1.00 42.11 H new ATOM 0 HE3 LYS A 46 22.637 14.046 -3.802 1.00 42.11 H new ATOM 0 HZ1 LYS A 46 24.834 12.759 -3.420 1.00 14.41 H new ATOM 0 HZ2 LYS A 46 23.490 11.938 -4.054 1.00 14.41 H new ATOM 0 HZ3 LYS A 46 24.747 12.431 -5.083 1.00 14.41 H new ATOM 747 N GLU A 47 25.788 13.907 -10.510 1.00 54.52 N ATOM 748 CA GLU A 47 25.846 13.497 -11.908 1.00 55.33 C ATOM 749 C GLU A 47 26.289 12.042 -12.031 1.00 10.35 C ATOM 750 O GLU A 47 25.793 11.299 -12.878 1.00 23.14 O ATOM 751 CB GLU A 47 26.803 14.401 -12.689 1.00 34.23 C ATOM 752 CG GLU A 47 26.841 14.104 -14.178 1.00 50.24 C ATOM 753 CD GLU A 47 27.916 14.891 -14.902 1.00 64.24 C ATOM 754 OE1 GLU A 47 28.528 15.778 -14.271 1.00 23.31 O ATOM 755 OE2 GLU A 47 28.146 14.620 -16.100 1.00 11.05 O ATOM 0 H GLU A 47 26.277 14.778 -10.305 1.00 54.52 H new ATOM 0 HA GLU A 47 24.845 13.590 -12.329 1.00 55.33 H new ATOM 0 HB2 GLU A 47 26.509 15.440 -12.542 1.00 34.23 H new ATOM 0 HB3 GLU A 47 27.807 14.293 -12.280 1.00 34.23 H new ATOM 0 HG2 GLU A 47 27.013 13.038 -14.328 1.00 50.24 H new ATOM 0 HG3 GLU A 47 25.870 14.335 -14.616 1.00 50.24 H new ATOM 762 N LYS A 48 27.227 11.642 -11.178 1.00 52.35 N ATOM 763 CA LYS A 48 27.738 10.277 -11.189 1.00 22.15 C ATOM 764 C LYS A 48 26.604 9.270 -11.025 1.00 63.11 C ATOM 765 O LYS A 48 26.552 8.259 -11.727 1.00 50.01 O ATOM 766 CB LYS A 48 28.767 10.088 -10.072 1.00 24.32 C ATOM 767 CG LYS A 48 29.877 11.125 -10.085 1.00 13.12 C ATOM 768 CD LYS A 48 31.243 10.483 -9.913 1.00 30.23 C ATOM 769 CE LYS A 48 32.238 11.448 -9.287 1.00 12.32 C ATOM 770 NZ LYS A 48 33.581 10.828 -9.116 1.00 73.33 N ATOM 0 H LYS A 48 27.648 12.244 -10.471 1.00 52.35 H new ATOM 0 HA LYS A 48 28.218 10.103 -12.152 1.00 22.15 H new ATOM 0 HB2 LYS A 48 28.257 10.126 -9.109 1.00 24.32 H new ATOM 0 HB3 LYS A 48 29.208 9.095 -10.160 1.00 24.32 H new ATOM 0 HG2 LYS A 48 29.849 11.677 -11.025 1.00 13.12 H new ATOM 0 HG3 LYS A 48 29.710 11.847 -9.286 1.00 13.12 H new ATOM 0 HD2 LYS A 48 31.153 9.595 -9.287 1.00 30.23 H new ATOM 0 HD3 LYS A 48 31.616 10.153 -10.883 1.00 30.23 H new ATOM 0 HE2 LYS A 48 32.325 12.336 -9.913 1.00 12.32 H new ATOM 0 HE3 LYS A 48 31.864 11.777 -8.317 1.00 12.32 H new ATOM 0 HZ1 LYS A 48 34.230 11.518 -8.686 1.00 73.33 H new ATOM 0 HZ2 LYS A 48 33.503 9.995 -8.498 1.00 73.33 H new ATOM 0 HZ3 LYS A 48 33.950 10.537 -10.044 1.00 73.33 H new ATOM 784 N LEU A 49 25.698 9.553 -10.096 1.00 74.53 N ATOM 785 CA LEU A 49 24.563 8.672 -9.842 1.00 33.11 C ATOM 786 C LEU A 49 23.503 8.822 -10.928 1.00 55.32 C ATOM 787 O LEU A 49 22.825 7.859 -11.287 1.00 51.25 O ATOM 788 CB LEU A 49 23.953 8.976 -8.472 1.00 52.15 C ATOM 789 CG LEU A 49 22.956 7.947 -7.938 1.00 50.11 C ATOM 790 CD1 LEU A 49 23.667 6.652 -7.577 1.00 43.31 C ATOM 791 CD2 LEU A 49 22.211 8.502 -6.733 1.00 52.30 C ATOM 0 H LEU A 49 25.727 10.385 -9.506 1.00 74.53 H new ATOM 0 HA LEU A 49 24.924 7.643 -9.852 1.00 33.11 H new ATOM 0 HB2 LEU A 49 24.763 9.076 -7.750 1.00 52.15 H new ATOM 0 HB3 LEU A 49 23.453 9.943 -8.526 1.00 52.15 H new ATOM 0 HG LEU A 49 22.230 7.732 -8.722 1.00 50.11 H new ATOM 0 HD11 LEU A 49 22.941 5.932 -7.199 1.00 43.31 H new ATOM 0 HD12 LEU A 49 24.154 6.245 -8.463 1.00 43.31 H new ATOM 0 HD13 LEU A 49 24.416 6.850 -6.810 1.00 43.31 H new ATOM 0 HD21 LEU A 49 21.506 7.756 -6.366 1.00 52.30 H new ATOM 0 HD22 LEU A 49 22.924 8.746 -5.945 1.00 52.30 H new ATOM 0 HD23 LEU A 49 21.669 9.402 -7.023 1.00 52.30 H new ATOM 803 N LYS A 50 23.365 10.037 -11.450 1.00 24.33 N ATOM 804 CA LYS A 50 22.391 10.314 -12.498 1.00 14.11 C ATOM 805 C LYS A 50 22.704 9.513 -13.758 1.00 14.22 C ATOM 806 O LYS A 50 21.803 8.982 -14.408 1.00 22.41 O ATOM 807 CB LYS A 50 22.372 11.809 -12.823 1.00 2.51 C ATOM 808 CG LYS A 50 21.362 12.187 -13.892 1.00 52.13 C ATOM 809 CD LYS A 50 21.919 13.236 -14.840 1.00 53.11 C ATOM 810 CE LYS A 50 20.904 14.336 -15.113 1.00 72.52 C ATOM 811 NZ LYS A 50 21.560 15.603 -15.540 1.00 31.54 N ATOM 0 H LYS A 50 23.917 10.846 -11.163 1.00 24.33 H new ATOM 0 HA LYS A 50 21.408 10.015 -12.134 1.00 14.11 H new ATOM 0 HB2 LYS A 50 22.151 12.367 -11.913 1.00 2.51 H new ATOM 0 HB3 LYS A 50 23.366 12.114 -13.150 1.00 2.51 H new ATOM 0 HG2 LYS A 50 21.079 11.299 -14.457 1.00 52.13 H new ATOM 0 HG3 LYS A 50 20.456 12.567 -13.420 1.00 52.13 H new ATOM 0 HD2 LYS A 50 22.822 13.671 -14.413 1.00 53.11 H new ATOM 0 HD3 LYS A 50 22.206 12.763 -15.779 1.00 53.11 H new ATOM 0 HE2 LYS A 50 20.211 14.007 -15.888 1.00 72.52 H new ATOM 0 HE3 LYS A 50 20.314 14.517 -14.214 1.00 72.52 H new ATOM 0 HZ1 LYS A 50 20.835 16.327 -15.716 1.00 31.54 H new ATOM 0 HZ2 LYS A 50 22.202 15.931 -14.791 1.00 31.54 H new ATOM 0 HZ3 LYS A 50 22.102 15.437 -16.412 1.00 31.54 H new ATOM 825 N LYS A 51 23.986 9.429 -14.097 1.00 14.42 N ATOM 826 CA LYS A 51 24.419 8.691 -15.277 1.00 73.01 C ATOM 827 C LYS A 51 24.225 7.191 -15.082 1.00 21.44 C ATOM 828 O LYS A 51 23.932 6.463 -16.032 1.00 5.15 O ATOM 829 CB LYS A 51 25.888 8.991 -15.581 1.00 2.00 C ATOM 830 CG LYS A 51 26.202 9.053 -17.066 1.00 21.42 C ATOM 831 CD LYS A 51 27.678 9.314 -17.313 1.00 63.14 C ATOM 832 CE LYS A 51 28.405 8.047 -17.738 1.00 21.12 C ATOM 833 NZ LYS A 51 29.870 8.137 -17.485 1.00 32.41 N ATOM 0 H LYS A 51 24.744 9.864 -13.570 1.00 14.42 H new ATOM 0 HA LYS A 51 23.807 9.012 -16.120 1.00 73.01 H new ATOM 0 HB2 LYS A 51 26.159 9.941 -15.121 1.00 2.00 H new ATOM 0 HB3 LYS A 51 26.510 8.225 -15.118 1.00 2.00 H new ATOM 0 HG2 LYS A 51 25.913 8.115 -17.539 1.00 21.42 H new ATOM 0 HG3 LYS A 51 25.609 9.840 -17.532 1.00 21.42 H new ATOM 0 HD2 LYS A 51 27.790 10.075 -18.085 1.00 63.14 H new ATOM 0 HD3 LYS A 51 28.135 9.710 -16.406 1.00 63.14 H new ATOM 0 HE2 LYS A 51 27.995 7.194 -17.197 1.00 21.12 H new ATOM 0 HE3 LYS A 51 28.230 7.866 -18.799 1.00 21.12 H new ATOM 0 HZ1 LYS A 51 30.329 7.255 -17.788 1.00 32.41 H new ATOM 0 HZ2 LYS A 51 30.266 8.935 -18.021 1.00 32.41 H new ATOM 0 HZ3 LYS A 51 30.039 8.284 -16.469 1.00 32.41 H new ATOM 847 N LEU A 52 24.389 6.734 -13.845 1.00 33.10 N ATOM 848 CA LEU A 52 24.230 5.320 -13.524 1.00 63.45 C ATOM 849 C LEU A 52 22.861 4.812 -13.964 1.00 32.30 C ATOM 850 O LEU A 52 22.677 3.618 -14.201 1.00 2.20 O ATOM 851 CB LEU A 52 24.413 5.093 -12.023 1.00 0.13 C ATOM 852 CG LEU A 52 24.155 3.672 -11.522 1.00 32.40 C ATOM 853 CD1 LEU A 52 25.149 3.301 -10.433 1.00 20.53 C ATOM 854 CD2 LEU A 52 22.727 3.537 -11.012 1.00 63.12 C ATOM 0 H LEU A 52 24.632 7.322 -13.048 1.00 33.10 H new ATOM 0 HA LEU A 52 24.995 4.762 -14.065 1.00 63.45 H new ATOM 0 HB2 LEU A 52 25.432 5.371 -11.756 1.00 0.13 H new ATOM 0 HB3 LEU A 52 23.747 5.771 -11.490 1.00 0.13 H new ATOM 0 HG LEU A 52 24.288 2.984 -12.357 1.00 32.40 H new ATOM 0 HD11 LEU A 52 24.950 2.286 -10.089 1.00 20.53 H new ATOM 0 HD12 LEU A 52 26.162 3.357 -10.831 1.00 20.53 H new ATOM 0 HD13 LEU A 52 25.049 3.994 -9.597 1.00 20.53 H new ATOM 0 HD21 LEU A 52 22.561 2.519 -10.659 1.00 63.12 H new ATOM 0 HD22 LEU A 52 22.566 4.236 -10.191 1.00 63.12 H new ATOM 0 HD23 LEU A 52 22.030 3.759 -11.820 1.00 63.12 H new ATOM 866 N ALA A 53 21.903 5.727 -14.073 1.00 21.34 N ATOM 867 CA ALA A 53 20.552 5.372 -14.488 1.00 14.31 C ATOM 868 C ALA A 53 20.569 4.559 -15.778 1.00 21.02 C ATOM 869 O ALA A 53 19.676 3.749 -16.023 1.00 52.22 O ATOM 870 CB ALA A 53 19.708 6.626 -14.664 1.00 34.03 C ATOM 0 H ALA A 53 22.038 6.719 -13.880 1.00 21.34 H new ATOM 0 HA ALA A 53 20.109 4.755 -13.706 1.00 14.31 H new ATOM 0 HB1 ALA A 53 18.701 6.346 -14.974 1.00 34.03 H new ATOM 0 HB2 ALA A 53 19.659 7.167 -13.719 1.00 34.03 H new ATOM 0 HB3 ALA A 53 20.158 7.264 -15.425 1.00 34.03 H new ATOM 876 N GLU A 54 21.591 4.781 -16.598 1.00 43.12 N ATOM 877 CA GLU A 54 21.723 4.069 -17.864 1.00 32.12 C ATOM 878 C GLU A 54 22.250 2.654 -17.640 1.00 12.40 C ATOM 879 O GLU A 54 21.854 1.717 -18.332 1.00 41.44 O ATOM 880 CB GLU A 54 22.656 4.829 -18.808 1.00 5.41 C ATOM 881 CG GLU A 54 22.722 4.238 -20.206 1.00 53.21 C ATOM 882 CD GLU A 54 21.360 3.820 -20.727 1.00 24.13 C ATOM 883 OE1 GLU A 54 21.083 2.602 -20.749 1.00 11.31 O ATOM 884 OE2 GLU A 54 20.573 4.709 -21.112 1.00 50.10 O ATOM 0 H GLU A 54 22.339 5.448 -16.409 1.00 43.12 H new ATOM 0 HA GLU A 54 20.734 4.003 -18.318 1.00 32.12 H new ATOM 0 HB2 GLU A 54 22.325 5.865 -18.876 1.00 5.41 H new ATOM 0 HB3 GLU A 54 23.659 4.843 -18.381 1.00 5.41 H new ATOM 0 HG2 GLU A 54 23.158 4.970 -20.886 1.00 53.21 H new ATOM 0 HG3 GLU A 54 23.386 3.373 -20.200 1.00 53.21 H new ATOM 891 N GLU A 55 23.145 2.510 -16.668 1.00 61.30 N ATOM 892 CA GLU A 55 23.727 1.210 -16.354 1.00 43.20 C ATOM 893 C GLU A 55 22.664 0.251 -15.825 1.00 45.24 C ATOM 894 O GLU A 55 22.644 -0.927 -16.181 1.00 75.32 O ATOM 895 CB GLU A 55 24.848 1.364 -15.324 1.00 45.22 C ATOM 896 CG GLU A 55 25.024 0.149 -14.429 1.00 71.01 C ATOM 897 CD GLU A 55 25.258 -1.126 -15.216 1.00 22.03 C ATOM 898 OE1 GLU A 55 24.847 -2.203 -14.735 1.00 11.10 O ATOM 899 OE2 GLU A 55 25.853 -1.047 -16.311 1.00 35.41 O ATOM 0 H GLU A 55 23.483 3.276 -16.085 1.00 61.30 H new ATOM 0 HA GLU A 55 24.141 0.795 -17.273 1.00 43.20 H new ATOM 0 HB2 GLU A 55 25.785 1.559 -15.846 1.00 45.22 H new ATOM 0 HB3 GLU A 55 24.642 2.236 -14.703 1.00 45.22 H new ATOM 0 HG2 GLU A 55 25.866 0.316 -13.757 1.00 71.01 H new ATOM 0 HG3 GLU A 55 24.137 0.030 -13.806 1.00 71.01 H new ATOM 906 N PHE A 56 21.784 0.765 -14.973 1.00 73.03 N ATOM 907 CA PHE A 56 20.719 -0.045 -14.394 1.00 15.03 C ATOM 908 C PHE A 56 19.554 0.831 -13.941 1.00 51.03 C ATOM 909 O PHE A 56 19.407 1.151 -12.762 1.00 14.33 O ATOM 910 CB PHE A 56 21.252 -0.855 -13.210 1.00 74.33 C ATOM 911 CG PHE A 56 20.385 -2.027 -12.848 1.00 22.44 C ATOM 912 CD1 PHE A 56 20.024 -2.258 -11.530 1.00 2.41 C ATOM 913 CD2 PHE A 56 19.932 -2.899 -13.825 1.00 22.45 C ATOM 914 CE1 PHE A 56 19.227 -3.335 -11.193 1.00 33.03 C ATOM 915 CE2 PHE A 56 19.134 -3.978 -13.493 1.00 62.24 C ATOM 916 CZ PHE A 56 18.782 -4.197 -12.176 1.00 1.01 C ATOM 0 H PHE A 56 21.787 1.738 -14.668 1.00 73.03 H new ATOM 0 HA PHE A 56 20.359 -0.730 -15.162 1.00 15.03 H new ATOM 0 HB2 PHE A 56 22.254 -1.213 -13.447 1.00 74.33 H new ATOM 0 HB3 PHE A 56 21.344 -0.200 -12.344 1.00 74.33 H new ATOM 0 HD1 PHE A 56 20.370 -1.588 -10.757 1.00 2.41 H new ATOM 0 HD2 PHE A 56 20.205 -2.734 -14.857 1.00 22.45 H new ATOM 0 HE1 PHE A 56 18.952 -3.503 -10.162 1.00 33.03 H new ATOM 0 HE2 PHE A 56 18.786 -4.650 -14.264 1.00 62.24 H new ATOM 0 HZ PHE A 56 18.160 -5.041 -11.915 1.00 1.01 H new ATOM 926 N PRO A 57 18.706 1.229 -14.901 1.00 50.23 N ATOM 927 CA PRO A 57 17.539 2.073 -14.627 1.00 5.51 C ATOM 928 C PRO A 57 16.460 1.334 -13.844 1.00 1.13 C ATOM 929 O PRO A 57 15.479 1.933 -13.404 1.00 14.11 O ATOM 930 CB PRO A 57 17.031 2.440 -16.023 1.00 54.22 C ATOM 931 CG PRO A 57 17.505 1.334 -16.902 1.00 13.34 C ATOM 932 CD PRO A 57 18.820 0.885 -16.329 1.00 4.24 C ATOM 0 HA PRO A 57 17.795 2.935 -14.012 1.00 5.51 H new ATOM 0 HB2 PRO A 57 15.944 2.521 -16.040 1.00 54.22 H new ATOM 0 HB3 PRO A 57 17.428 3.402 -16.348 1.00 54.22 H new ATOM 0 HG2 PRO A 57 16.787 0.514 -16.920 1.00 13.34 H new ATOM 0 HG3 PRO A 57 17.624 1.676 -17.930 1.00 13.34 H new ATOM 0 HD2 PRO A 57 18.977 -0.184 -16.473 1.00 4.24 H new ATOM 0 HD3 PRO A 57 19.659 1.397 -16.800 1.00 4.24 H new ATOM 940 N ASP A 58 16.648 0.030 -13.673 1.00 1.22 N ATOM 941 CA ASP A 58 15.691 -0.791 -12.941 1.00 12.01 C ATOM 942 C ASP A 58 15.513 -0.278 -11.515 1.00 62.11 C ATOM 943 O ASP A 58 14.498 -0.543 -10.871 1.00 2.12 O ATOM 944 CB ASP A 58 16.150 -2.250 -12.918 1.00 2.41 C ATOM 945 CG ASP A 58 15.767 -2.957 -11.633 1.00 23.01 C ATOM 946 OD1 ASP A 58 16.455 -2.747 -10.612 1.00 3.22 O ATOM 947 OD2 ASP A 58 14.779 -3.720 -11.648 1.00 23.31 O ATOM 0 H ASP A 58 17.455 -0.481 -14.031 1.00 1.22 H new ATOM 0 HA ASP A 58 14.731 -0.729 -13.453 1.00 12.01 H new ATOM 0 HB2 ASP A 58 15.712 -2.779 -13.765 1.00 2.41 H new ATOM 0 HB3 ASP A 58 17.232 -2.289 -13.042 1.00 2.41 H new ATOM 952 N VAL A 59 16.508 0.456 -11.028 1.00 1.53 N ATOM 953 CA VAL A 59 16.462 1.007 -9.678 1.00 62.42 C ATOM 954 C VAL A 59 15.831 2.395 -9.672 1.00 25.53 C ATOM 955 O VAL A 59 15.969 3.155 -10.630 1.00 71.54 O ATOM 956 CB VAL A 59 17.870 1.091 -9.058 1.00 53.44 C ATOM 957 CG1 VAL A 59 17.790 1.560 -7.614 1.00 12.33 C ATOM 958 CG2 VAL A 59 18.575 -0.253 -9.153 1.00 32.20 C ATOM 0 H VAL A 59 17.356 0.683 -11.548 1.00 1.53 H new ATOM 0 HA VAL A 59 15.850 0.331 -9.081 1.00 62.42 H new ATOM 0 HB VAL A 59 18.453 1.821 -9.620 1.00 53.44 H new ATOM 0 HG11 VAL A 59 18.794 1.613 -7.193 1.00 12.33 H new ATOM 0 HG12 VAL A 59 17.328 2.547 -7.577 1.00 12.33 H new ATOM 0 HG13 VAL A 59 17.191 0.857 -7.036 1.00 12.33 H new ATOM 0 HG21 VAL A 59 19.568 -0.175 -8.710 1.00 32.20 H new ATOM 0 HG22 VAL A 59 17.997 -1.006 -8.617 1.00 32.20 H new ATOM 0 HG23 VAL A 59 18.666 -0.543 -10.200 1.00 32.20 H new ATOM 968 N ASP A 60 15.140 2.719 -8.585 1.00 22.13 N ATOM 969 CA ASP A 60 14.489 4.017 -8.452 1.00 31.11 C ATOM 970 C ASP A 60 15.329 4.962 -7.598 1.00 61.33 C ATOM 971 O ASP A 60 16.050 4.527 -6.700 1.00 33.44 O ATOM 972 CB ASP A 60 13.099 3.853 -7.836 1.00 14.22 C ATOM 973 CG ASP A 60 12.554 5.155 -7.282 1.00 12.01 C ATOM 974 OD1 ASP A 60 11.767 5.819 -7.990 1.00 63.50 O ATOM 975 OD2 ASP A 60 12.913 5.510 -6.140 1.00 41.01 O ATOM 0 H ASP A 60 15.016 2.101 -7.783 1.00 22.13 H new ATOM 0 HA ASP A 60 14.388 4.449 -9.448 1.00 31.11 H new ATOM 0 HB2 ASP A 60 12.414 3.467 -8.591 1.00 14.22 H new ATOM 0 HB3 ASP A 60 13.144 3.112 -7.038 1.00 14.22 H new ATOM 980 N ILE A 61 15.232 6.255 -7.886 1.00 40.22 N ATOM 981 CA ILE A 61 15.983 7.261 -7.145 1.00 20.31 C ATOM 982 C ILE A 61 15.059 8.109 -6.278 1.00 33.21 C ATOM 983 O ILE A 61 13.955 8.465 -6.692 1.00 62.51 O ATOM 984 CB ILE A 61 16.772 8.185 -8.091 1.00 50.11 C ATOM 985 CG1 ILE A 61 17.758 7.370 -8.931 1.00 12.12 C ATOM 986 CG2 ILE A 61 17.504 9.256 -7.296 1.00 52.34 C ATOM 987 CD1 ILE A 61 17.697 7.686 -10.409 1.00 24.41 C ATOM 0 H ILE A 61 14.641 6.631 -8.627 1.00 40.22 H new ATOM 0 HA ILE A 61 16.685 6.724 -6.507 1.00 20.31 H new ATOM 0 HB ILE A 61 16.070 8.676 -8.765 1.00 50.11 H new ATOM 0 HG12 ILE A 61 18.770 7.554 -8.570 1.00 12.12 H new ATOM 0 HG13 ILE A 61 17.556 6.309 -8.786 1.00 12.12 H new ATOM 0 HG21 ILE A 61 18.057 9.901 -7.978 1.00 52.34 H new ATOM 0 HG22 ILE A 61 16.782 9.852 -6.738 1.00 52.34 H new ATOM 0 HG23 ILE A 61 18.198 8.783 -6.601 1.00 52.34 H new ATOM 0 HD11 ILE A 61 18.422 7.072 -10.943 1.00 24.41 H new ATOM 0 HD12 ILE A 61 16.696 7.475 -10.785 1.00 24.41 H new ATOM 0 HD13 ILE A 61 17.929 8.740 -10.566 1.00 24.41 H new ATOM 999 N TYR A 62 15.517 8.431 -5.074 1.00 22.25 N ATOM 1000 CA TYR A 62 14.732 9.237 -4.147 1.00 15.10 C ATOM 1001 C TYR A 62 15.583 10.343 -3.530 1.00 33.52 C ATOM 1002 O TYR A 62 16.545 10.073 -2.810 1.00 64.11 O ATOM 1003 CB TYR A 62 14.142 8.356 -3.044 1.00 65.22 C ATOM 1004 CG TYR A 62 13.148 9.075 -2.161 1.00 21.12 C ATOM 1005 CD1 TYR A 62 13.510 9.524 -0.897 1.00 2.51 C ATOM 1006 CD2 TYR A 62 11.846 9.304 -2.589 1.00 65.14 C ATOM 1007 CE1 TYR A 62 12.605 10.181 -0.086 1.00 0.41 C ATOM 1008 CE2 TYR A 62 10.935 9.961 -1.786 1.00 1.11 C ATOM 1009 CZ TYR A 62 11.319 10.398 -0.535 1.00 70.30 C ATOM 1010 OH TYR A 62 10.414 11.052 0.269 1.00 74.50 O ATOM 0 H TYR A 62 16.429 8.146 -4.717 1.00 22.25 H new ATOM 0 HA TYR A 62 13.919 9.699 -4.707 1.00 15.10 H new ATOM 0 HB2 TYR A 62 13.653 7.495 -3.501 1.00 65.22 H new ATOM 0 HB3 TYR A 62 14.953 7.971 -2.425 1.00 65.22 H new ATOM 0 HD1 TYR A 62 14.516 9.356 -0.542 1.00 2.51 H new ATOM 0 HD2 TYR A 62 11.541 8.962 -3.567 1.00 65.14 H new ATOM 0 HE1 TYR A 62 12.903 10.523 0.894 1.00 0.41 H new ATOM 0 HE2 TYR A 62 9.927 10.132 -2.135 1.00 1.11 H new ATOM 0 HH TYR A 62 9.526 10.653 0.154 1.00 74.50 H new ATOM 1020 N LEU A 63 15.221 11.588 -3.816 1.00 52.21 N ATOM 1021 CA LEU A 63 15.950 12.737 -3.289 1.00 73.14 C ATOM 1022 C LEU A 63 15.201 13.367 -2.120 1.00 13.43 C ATOM 1023 O LEU A 63 13.972 13.326 -2.061 1.00 33.10 O ATOM 1024 CB LEU A 63 16.167 13.776 -4.390 1.00 40.44 C ATOM 1025 CG LEU A 63 17.290 13.477 -5.384 1.00 4.13 C ATOM 1026 CD1 LEU A 63 17.046 14.199 -6.700 1.00 11.24 C ATOM 1027 CD2 LEU A 63 18.639 13.872 -4.799 1.00 14.10 C ATOM 0 H LEU A 63 14.427 11.828 -4.410 1.00 52.21 H new ATOM 0 HA LEU A 63 16.919 12.389 -2.930 1.00 73.14 H new ATOM 0 HB2 LEU A 63 15.236 13.886 -4.947 1.00 40.44 H new ATOM 0 HB3 LEU A 63 16.372 14.737 -3.919 1.00 40.44 H new ATOM 0 HG LEU A 63 17.300 12.405 -5.579 1.00 4.13 H new ATOM 0 HD11 LEU A 63 17.856 13.974 -7.394 1.00 11.24 H new ATOM 0 HD12 LEU A 63 16.099 13.868 -7.127 1.00 11.24 H new ATOM 0 HD13 LEU A 63 17.008 15.274 -6.524 1.00 11.24 H new ATOM 0 HD21 LEU A 63 19.427 13.652 -5.520 1.00 14.10 H new ATOM 0 HD22 LEU A 63 18.640 14.939 -4.574 1.00 14.10 H new ATOM 0 HD23 LEU A 63 18.818 13.308 -3.883 1.00 14.10 H new ATOM 1039 N VAL A 64 15.950 13.953 -1.191 1.00 13.22 N ATOM 1040 CA VAL A 64 15.357 14.596 -0.024 1.00 72.10 C ATOM 1041 C VAL A 64 16.087 15.889 0.322 1.00 61.42 C ATOM 1042 O VAL A 64 17.315 15.956 0.258 1.00 53.33 O ATOM 1043 CB VAL A 64 15.378 13.663 1.202 1.00 41.43 C ATOM 1044 CG1 VAL A 64 14.608 14.283 2.358 1.00 52.23 C ATOM 1045 CG2 VAL A 64 14.810 12.299 0.842 1.00 31.24 C ATOM 0 H VAL A 64 16.969 13.996 -1.224 1.00 13.22 H new ATOM 0 HA VAL A 64 14.322 14.824 -0.280 1.00 72.10 H new ATOM 0 HB VAL A 64 16.413 13.528 1.518 1.00 41.43 H new ATOM 0 HG11 VAL A 64 14.634 13.610 3.215 1.00 52.23 H new ATOM 0 HG12 VAL A 64 15.064 15.235 2.630 1.00 52.23 H new ATOM 0 HG13 VAL A 64 13.573 14.449 2.058 1.00 52.23 H new ATOM 0 HG21 VAL A 64 14.832 11.653 1.719 1.00 31.24 H new ATOM 0 HG22 VAL A 64 13.781 12.412 0.501 1.00 31.24 H new ATOM 0 HG23 VAL A 64 15.409 11.854 0.048 1.00 31.24 H new ATOM 1055 N ASP A 65 15.324 16.912 0.689 1.00 44.43 N ATOM 1056 CA ASP A 65 15.899 18.204 1.047 1.00 52.12 C ATOM 1057 C ASP A 65 15.705 18.492 2.532 1.00 23.14 C ATOM 1058 O ASP A 65 14.721 18.064 3.136 1.00 11.02 O ATOM 1059 CB ASP A 65 15.264 19.318 0.212 1.00 20.51 C ATOM 1060 CG ASP A 65 13.828 19.012 -0.164 1.00 74.22 C ATOM 1061 OD1 ASP A 65 13.615 18.162 -1.055 1.00 21.14 O ATOM 1062 OD2 ASP A 65 12.916 19.622 0.432 1.00 31.21 O ATOM 0 H ASP A 65 14.306 16.872 0.747 1.00 44.43 H new ATOM 0 HA ASP A 65 16.968 18.168 0.838 1.00 52.12 H new ATOM 0 HB2 ASP A 65 15.299 20.253 0.772 1.00 20.51 H new ATOM 0 HB3 ASP A 65 15.850 19.468 -0.695 1.00 20.51 H new ATOM 1067 N THR A 66 16.652 19.219 3.117 1.00 0.14 N ATOM 1068 CA THR A 66 16.587 19.562 4.532 1.00 4.24 C ATOM 1069 C THR A 66 15.498 20.594 4.799 1.00 53.43 C ATOM 1070 O THR A 66 15.006 20.717 5.921 1.00 44.04 O ATOM 1071 CB THR A 66 17.934 20.112 5.039 1.00 21.33 C ATOM 1072 OG1 THR A 66 18.611 20.801 3.982 1.00 21.23 O ATOM 1073 CG2 THR A 66 18.814 18.987 5.564 1.00 3.40 C ATOM 0 H THR A 66 17.473 19.582 2.632 1.00 0.14 H new ATOM 0 HA THR A 66 16.352 18.643 5.069 1.00 4.24 H new ATOM 0 HB THR A 66 17.734 20.807 5.855 1.00 21.33 H new ATOM 0 HG1 THR A 66 19.569 20.847 4.183 1.00 21.23 H new ATOM 0 HG21 THR A 66 19.760 19.399 5.916 1.00 3.40 H new ATOM 0 HG22 THR A 66 18.308 18.483 6.388 1.00 3.40 H new ATOM 0 HG23 THR A 66 19.006 18.272 4.764 1.00 3.40 H new ATOM 1081 N SER A 67 15.123 21.334 3.760 1.00 44.41 N ATOM 1082 CA SER A 67 14.093 22.359 3.883 1.00 60.11 C ATOM 1083 C SER A 67 12.730 21.729 4.152 1.00 72.21 C ATOM 1084 O SER A 67 11.778 22.415 4.525 1.00 75.12 O ATOM 1085 CB SER A 67 14.033 23.207 2.611 1.00 3.32 C ATOM 1086 OG SER A 67 14.220 24.581 2.905 1.00 32.04 O ATOM 0 H SER A 67 15.517 21.243 2.824 1.00 44.41 H new ATOM 0 HA SER A 67 14.351 22.999 4.726 1.00 60.11 H new ATOM 0 HB2 SER A 67 14.800 22.874 1.912 1.00 3.32 H new ATOM 0 HB3 SER A 67 13.070 23.065 2.120 1.00 3.32 H new ATOM 0 HG SER A 67 14.179 25.102 2.076 1.00 32.04 H new ATOM 1092 N THR A 68 12.643 20.416 3.960 1.00 43.11 N ATOM 1093 CA THR A 68 11.398 19.692 4.180 1.00 72.11 C ATOM 1094 C THR A 68 11.484 18.816 5.424 1.00 32.33 C ATOM 1095 O THR A 68 10.471 18.518 6.057 1.00 43.35 O ATOM 1096 CB THR A 68 11.039 18.810 2.969 1.00 41.31 C ATOM 1097 OG1 THR A 68 12.215 18.168 2.465 1.00 24.20 O ATOM 1098 CG2 THR A 68 10.397 19.640 1.867 1.00 33.52 C ATOM 0 H THR A 68 13.421 19.833 3.652 1.00 43.11 H new ATOM 0 HA THR A 68 10.618 20.440 4.319 1.00 72.11 H new ATOM 0 HB THR A 68 10.325 18.054 3.297 1.00 41.31 H new ATOM 0 HG1 THR A 68 12.568 17.554 3.142 1.00 24.20 H new ATOM 0 HG21 THR A 68 10.152 18.996 1.022 1.00 33.52 H new ATOM 0 HG22 THR A 68 9.486 20.105 2.245 1.00 33.52 H new ATOM 0 HG23 THR A 68 11.092 20.415 1.543 1.00 33.52 H new ATOM 1106 N ASN A 69 12.700 18.406 5.771 1.00 73.31 N ATOM 1107 CA ASN A 69 12.917 17.563 6.941 1.00 65.10 C ATOM 1108 C ASN A 69 14.057 18.106 7.798 1.00 63.53 C ATOM 1109 O ASN A 69 15.102 17.474 7.957 1.00 2.21 O ATOM 1110 CB ASN A 69 13.227 16.127 6.511 1.00 15.40 C ATOM 1111 CG ASN A 69 13.927 16.064 5.168 1.00 44.43 C ATOM 1112 OD1 ASN A 69 13.289 16.143 4.118 1.00 43.12 O ATOM 1113 ND2 ASN A 69 15.247 15.922 5.195 1.00 24.44 N ATOM 0 H ASN A 69 13.549 18.644 5.259 1.00 73.31 H new ATOM 0 HA ASN A 69 12.004 17.568 7.536 1.00 65.10 H new ATOM 0 HB2 ASN A 69 13.853 15.652 7.266 1.00 15.40 H new ATOM 0 HB3 ASN A 69 12.299 15.557 6.461 1.00 15.40 H new ATOM 0 HD21 ASN A 69 15.773 15.874 4.322 1.00 24.44 H new ATOM 0 HD22 ASN A 69 15.735 15.861 6.088 1.00 24.44 H new ATOM 1120 N PRO A 70 13.853 19.304 8.364 1.00 41.33 N ATOM 1121 CA PRO A 70 14.852 19.958 9.215 1.00 54.32 C ATOM 1122 C PRO A 70 15.028 19.248 10.552 1.00 30.43 C ATOM 1123 O PRO A 70 16.150 19.050 11.017 1.00 42.14 O ATOM 1124 CB PRO A 70 14.274 21.360 9.426 1.00 1.01 C ATOM 1125 CG PRO A 70 12.804 21.195 9.247 1.00 43.22 C ATOM 1126 CD PRO A 70 12.632 20.113 8.217 1.00 54.42 C ATOM 0 HA PRO A 70 15.842 19.954 8.759 1.00 54.32 H new ATOM 0 HB2 PRO A 70 14.512 21.741 10.419 1.00 1.01 H new ATOM 0 HB3 PRO A 70 14.683 22.069 8.707 1.00 1.01 H new ATOM 0 HG2 PRO A 70 12.325 20.919 10.186 1.00 43.22 H new ATOM 0 HG3 PRO A 70 12.344 22.126 8.916 1.00 43.22 H new ATOM 0 HD2 PRO A 70 11.734 19.523 8.401 1.00 54.42 H new ATOM 0 HD3 PRO A 70 12.542 20.526 7.212 1.00 54.42 H new ATOM 1134 N GLU A 71 13.912 18.866 11.166 1.00 23.41 N ATOM 1135 CA GLU A 71 13.945 18.177 12.451 1.00 65.00 C ATOM 1136 C GLU A 71 14.164 16.679 12.260 1.00 75.22 C ATOM 1137 O GLU A 71 14.772 16.017 13.100 1.00 13.25 O ATOM 1138 CB GLU A 71 12.645 18.420 13.219 1.00 54.31 C ATOM 1139 CG GLU A 71 12.672 19.670 14.082 1.00 2.25 C ATOM 1140 CD GLU A 71 11.285 20.205 14.379 1.00 53.21 C ATOM 1141 OE1 GLU A 71 10.569 19.581 15.190 1.00 25.42 O ATOM 1142 OE2 GLU A 71 10.914 21.248 13.800 1.00 70.40 O ATOM 0 H GLU A 71 12.975 19.022 10.795 1.00 23.41 H new ATOM 0 HA GLU A 71 14.779 18.578 13.027 1.00 65.00 H new ATOM 0 HB2 GLU A 71 11.822 18.497 12.508 1.00 54.31 H new ATOM 0 HB3 GLU A 71 12.440 17.556 13.852 1.00 54.31 H new ATOM 0 HG2 GLU A 71 13.180 19.448 15.020 1.00 2.25 H new ATOM 0 HG3 GLU A 71 13.255 20.442 13.579 1.00 2.25 H new ATOM 1149 N ALA A 72 13.662 16.151 11.148 1.00 33.12 N ATOM 1150 CA ALA A 72 13.802 14.732 10.845 1.00 3.12 C ATOM 1151 C ALA A 72 15.253 14.283 10.982 1.00 61.33 C ATOM 1152 O ALA A 72 15.527 13.134 11.331 1.00 12.54 O ATOM 1153 CB ALA A 72 13.286 14.438 9.444 1.00 22.15 C ATOM 0 H ALA A 72 13.155 16.685 10.442 1.00 33.12 H new ATOM 0 HA ALA A 72 13.206 14.171 11.565 1.00 3.12 H new ATOM 0 HB1 ALA A 72 13.397 13.375 9.231 1.00 22.15 H new ATOM 0 HB2 ALA A 72 12.233 14.713 9.379 1.00 22.15 H new ATOM 0 HB3 ALA A 72 13.858 15.015 8.717 1.00 22.15 H new ATOM 1159 N ARG A 73 16.179 15.195 10.703 1.00 31.40 N ATOM 1160 CA ARG A 73 17.602 14.891 10.793 1.00 31.20 C ATOM 1161 C ARG A 73 17.988 14.511 12.220 1.00 53.42 C ATOM 1162 O ARG A 73 18.624 13.483 12.448 1.00 40.23 O ATOM 1163 CB ARG A 73 18.431 16.090 10.331 1.00 44.21 C ATOM 1164 CG ARG A 73 19.362 15.776 9.171 1.00 4.41 C ATOM 1165 CD ARG A 73 20.812 16.067 9.526 1.00 22.43 C ATOM 1166 NE ARG A 73 20.985 17.414 10.064 1.00 60.52 N ATOM 1167 CZ ARG A 73 21.084 18.500 9.306 1.00 13.10 C ATOM 1168 NH1 ARG A 73 21.026 18.399 7.985 1.00 24.33 N ATOM 1169 NH2 ARG A 73 21.239 19.691 9.869 1.00 4.43 N ATOM 0 H ARG A 73 15.969 16.150 10.413 1.00 31.40 H new ATOM 0 HA ARG A 73 17.809 14.042 10.141 1.00 31.20 H new ATOM 0 HB2 ARG A 73 17.758 16.895 10.038 1.00 44.21 H new ATOM 0 HB3 ARG A 73 19.021 16.458 11.170 1.00 44.21 H new ATOM 0 HG2 ARG A 73 19.258 14.727 8.893 1.00 4.41 H new ATOM 0 HG3 ARG A 73 19.074 16.366 8.301 1.00 4.41 H new ATOM 0 HD2 ARG A 73 21.159 15.337 10.257 1.00 22.43 H new ATOM 0 HD3 ARG A 73 21.433 15.949 8.638 1.00 22.43 H new ATOM 0 HE ARG A 73 21.032 17.527 11.077 1.00 60.52 H new ATOM 0 HH11 ARG A 73 20.905 17.485 7.548 1.00 24.33 H new ATOM 0 HH12 ARG A 73 21.102 19.235 7.406 1.00 24.33 H new ATOM 0 HH21 ARG A 73 21.282 19.773 10.885 1.00 4.43 H new ATOM 0 HH22 ARG A 73 21.315 20.525 9.286 1.00 4.43 H new ATOM 1183 N GLU A 74 17.598 15.349 13.175 1.00 0.35 N ATOM 1184 CA GLU A 74 17.905 15.102 14.579 1.00 33.53 C ATOM 1185 C GLU A 74 17.269 13.798 15.053 1.00 30.32 C ATOM 1186 O GLU A 74 17.737 13.178 16.009 1.00 51.34 O ATOM 1187 CB GLU A 74 17.415 16.265 15.444 1.00 34.44 C ATOM 1188 CG GLU A 74 18.436 17.378 15.603 1.00 64.01 C ATOM 1189 CD GLU A 74 18.258 18.483 14.580 1.00 3.20 C ATOM 1190 OE1 GLU A 74 18.061 18.162 13.389 1.00 15.43 O ATOM 1191 OE2 GLU A 74 18.317 19.668 14.970 1.00 51.04 O ATOM 0 H GLU A 74 17.069 16.204 13.002 1.00 0.35 H new ATOM 0 HA GLU A 74 18.987 15.016 14.678 1.00 33.53 H new ATOM 0 HB2 GLU A 74 16.507 16.677 15.004 1.00 34.44 H new ATOM 0 HB3 GLU A 74 17.147 15.886 16.430 1.00 34.44 H new ATOM 0 HG2 GLU A 74 18.356 17.799 16.605 1.00 64.01 H new ATOM 0 HG3 GLU A 74 19.439 16.962 15.512 1.00 64.01 H new ATOM 1198 N TRP A 75 16.201 13.388 14.379 1.00 54.40 N ATOM 1199 CA TRP A 75 15.500 12.159 14.731 1.00 33.31 C ATOM 1200 C TRP A 75 16.473 10.991 14.846 1.00 3.11 C ATOM 1201 O TRP A 75 16.344 10.148 15.734 1.00 3.34 O ATOM 1202 CB TRP A 75 14.426 11.843 13.688 1.00 22.13 C ATOM 1203 CG TRP A 75 13.286 11.038 14.235 1.00 62.45 C ATOM 1204 CD1 TRP A 75 13.366 9.833 14.874 1.00 53.33 C ATOM 1205 CD2 TRP A 75 11.896 11.378 14.188 1.00 44.24 C ATOM 1206 NE1 TRP A 75 12.109 9.405 15.227 1.00 72.21 N ATOM 1207 CE2 TRP A 75 11.190 10.335 14.818 1.00 3.11 C ATOM 1208 CE3 TRP A 75 11.180 12.464 13.676 1.00 31.43 C ATOM 1209 CZ2 TRP A 75 9.804 10.347 14.948 1.00 2.33 C ATOM 1210 CZ3 TRP A 75 9.804 12.474 13.806 1.00 2.11 C ATOM 1211 CH2 TRP A 75 9.128 11.422 14.438 1.00 0.35 C ATOM 0 H TRP A 75 15.801 13.889 13.585 1.00 54.40 H new ATOM 0 HA TRP A 75 15.023 12.307 15.700 1.00 33.31 H new ATOM 0 HB2 TRP A 75 14.039 12.777 13.281 1.00 22.13 H new ATOM 0 HB3 TRP A 75 14.882 11.299 12.861 1.00 22.13 H new ATOM 0 HD1 TRP A 75 14.282 9.296 15.072 1.00 53.33 H new ATOM 0 HE1 TRP A 75 11.895 8.535 15.715 1.00 72.21 H new ATOM 0 HE3 TRP A 75 11.692 13.280 13.188 1.00 31.43 H new ATOM 0 HZ2 TRP A 75 9.281 9.537 15.434 1.00 2.33 H new ATOM 0 HZ3 TRP A 75 9.240 13.307 13.414 1.00 2.11 H new ATOM 0 HH2 TRP A 75 8.052 11.460 14.524 1.00 0.35 H new ATOM 1222 N TYR A 76 17.447 10.947 13.944 1.00 50.33 N ATOM 1223 CA TYR A 76 18.441 9.881 13.943 1.00 24.13 C ATOM 1224 C TYR A 76 19.855 10.454 13.954 1.00 41.35 C ATOM 1225 O TYR A 76 20.835 9.722 13.824 1.00 72.35 O ATOM 1226 CB TYR A 76 18.253 8.980 12.722 1.00 63.05 C ATOM 1227 CG TYR A 76 19.074 7.711 12.773 1.00 73.11 C ATOM 1228 CD1 TYR A 76 20.065 7.463 11.831 1.00 21.04 C ATOM 1229 CD2 TYR A 76 18.857 6.760 13.762 1.00 71.51 C ATOM 1230 CE1 TYR A 76 20.817 6.305 11.874 1.00 72.42 C ATOM 1231 CE2 TYR A 76 19.605 5.599 13.813 1.00 53.21 C ATOM 1232 CZ TYR A 76 20.583 5.376 12.867 1.00 42.13 C ATOM 1233 OH TYR A 76 21.329 4.221 12.913 1.00 23.23 O ATOM 0 H TYR A 76 17.569 11.638 13.204 1.00 50.33 H new ATOM 0 HA TYR A 76 18.302 9.289 14.847 1.00 24.13 H new ATOM 0 HB2 TYR A 76 17.199 8.717 12.634 1.00 63.05 H new ATOM 0 HB3 TYR A 76 18.519 9.539 11.824 1.00 63.05 H new ATOM 0 HD1 TYR A 76 20.250 8.188 11.052 1.00 21.04 H new ATOM 0 HD2 TYR A 76 18.091 6.931 14.504 1.00 71.51 H new ATOM 0 HE1 TYR A 76 21.584 6.128 11.134 1.00 72.42 H new ATOM 0 HE2 TYR A 76 19.424 4.870 14.590 1.00 53.21 H new ATOM 0 HH TYR A 76 21.039 3.675 13.673 1.00 23.23 H new ATOM 1243 N ASN A 77 19.952 11.771 14.110 1.00 74.42 N ATOM 1244 CA ASN A 77 21.245 12.444 14.137 1.00 12.35 C ATOM 1245 C ASN A 77 22.103 12.023 12.948 1.00 11.43 C ATOM 1246 O ASN A 77 22.884 11.075 13.038 1.00 15.31 O ATOM 1247 CB ASN A 77 21.977 12.134 15.444 1.00 21.25 C ATOM 1248 CG ASN A 77 23.442 12.524 15.393 1.00 33.23 C ATOM 1249 OD1 ASN A 77 24.322 11.666 15.333 1.00 63.32 O ATOM 1250 ND2 ASN A 77 23.709 13.824 15.418 1.00 54.42 N ATOM 0 H ASN A 77 19.151 12.392 14.220 1.00 74.42 H new ATOM 0 HA ASN A 77 21.069 13.518 14.073 1.00 12.35 H new ATOM 0 HB2 ASN A 77 21.491 12.663 16.264 1.00 21.25 H new ATOM 0 HB3 ASN A 77 21.895 11.069 15.659 1.00 21.25 H new ATOM 0 HD21 ASN A 77 24.676 14.147 15.387 1.00 54.42 H new ATOM 0 HD22 ASN A 77 22.947 14.500 15.468 1.00 54.42 H new ATOM 1257 N ILE A 78 21.953 12.735 11.836 1.00 32.22 N ATOM 1258 CA ILE A 78 22.715 12.436 10.630 1.00 1.22 C ATOM 1259 C ILE A 78 23.958 13.315 10.534 1.00 71.51 C ATOM 1260 O ILE A 78 23.861 14.537 10.417 1.00 62.34 O ATOM 1261 CB ILE A 78 21.863 12.632 9.363 1.00 75.34 C ATOM 1262 CG1 ILE A 78 20.959 11.418 9.137 1.00 30.31 C ATOM 1263 CG2 ILE A 78 22.756 12.865 8.154 1.00 45.21 C ATOM 1264 CD1 ILE A 78 21.719 10.149 8.821 1.00 64.13 C ATOM 0 H ILE A 78 21.311 13.522 11.745 1.00 32.22 H new ATOM 0 HA ILE A 78 23.016 11.390 10.697 1.00 1.22 H new ATOM 0 HB ILE A 78 21.233 13.511 9.500 1.00 75.34 H new ATOM 0 HG12 ILE A 78 20.352 11.256 10.028 1.00 30.31 H new ATOM 0 HG13 ILE A 78 20.272 11.634 8.319 1.00 30.31 H new ATOM 0 HG21 ILE A 78 22.138 13.002 7.266 1.00 45.21 H new ATOM 0 HG22 ILE A 78 23.362 13.757 8.315 1.00 45.21 H new ATOM 0 HG23 ILE A 78 23.409 12.004 8.013 1.00 45.21 H new ATOM 0 HD11 ILE A 78 21.015 9.330 8.673 1.00 64.13 H new ATOM 0 HD12 ILE A 78 22.305 10.292 7.913 1.00 64.13 H new ATOM 0 HD13 ILE A 78 22.386 9.909 9.649 1.00 64.13 H new ATOM 1276 N THR A 79 25.127 12.684 10.582 1.00 21.43 N ATOM 1277 CA THR A 79 26.390 13.407 10.500 1.00 72.41 C ATOM 1278 C THR A 79 26.834 13.573 9.051 1.00 4.33 C ATOM 1279 O THR A 79 27.384 14.609 8.676 1.00 23.30 O ATOM 1280 CB THR A 79 27.502 12.687 11.287 1.00 54.24 C ATOM 1281 OG1 THR A 79 27.489 11.288 10.984 1.00 72.40 O ATOM 1282 CG2 THR A 79 27.323 12.889 12.784 1.00 54.13 C ATOM 0 H THR A 79 25.225 11.673 10.677 1.00 21.43 H new ATOM 0 HA THR A 79 26.222 14.390 10.941 1.00 72.41 H new ATOM 0 HB THR A 79 28.461 13.113 10.991 1.00 54.24 H new ATOM 0 HG1 THR A 79 28.200 10.838 11.487 1.00 72.40 H new ATOM 0 HG21 THR A 79 28.120 12.372 13.319 1.00 54.13 H new ATOM 0 HG22 THR A 79 27.363 13.954 13.015 1.00 54.13 H new ATOM 0 HG23 THR A 79 26.358 12.487 13.093 1.00 54.13 H new ATOM 1290 N SER A 80 26.592 12.548 8.241 1.00 21.10 N ATOM 1291 CA SER A 80 26.971 12.580 6.833 1.00 13.12 C ATOM 1292 C SER A 80 25.757 12.855 5.950 1.00 30.44 C ATOM 1293 O SER A 80 25.069 11.931 5.516 1.00 60.21 O ATOM 1294 CB SER A 80 27.621 11.256 6.428 1.00 43.12 C ATOM 1295 OG SER A 80 27.205 10.202 7.279 1.00 62.15 O ATOM 0 H SER A 80 26.135 11.685 8.535 1.00 21.10 H new ATOM 0 HA SER A 80 27.690 13.387 6.694 1.00 13.12 H new ATOM 0 HB2 SER A 80 27.360 11.019 5.397 1.00 43.12 H new ATOM 0 HB3 SER A 80 28.706 11.353 6.468 1.00 43.12 H new ATOM 0 HG SER A 80 27.633 9.366 6.998 1.00 62.15 H new ATOM 1301 N VAL A 81 25.500 14.132 5.689 1.00 0.43 N ATOM 1302 CA VAL A 81 24.370 14.531 4.858 1.00 65.43 C ATOM 1303 C VAL A 81 24.181 13.569 3.690 1.00 24.53 C ATOM 1304 O VAL A 81 23.126 12.957 3.522 1.00 51.30 O ATOM 1305 CB VAL A 81 24.554 15.958 4.308 1.00 32.30 C ATOM 1306 CG1 VAL A 81 23.323 16.804 4.598 1.00 63.24 C ATOM 1307 CG2 VAL A 81 25.802 16.598 4.896 1.00 51.41 C ATOM 0 H VAL A 81 26.059 14.909 6.041 1.00 0.43 H new ATOM 0 HA VAL A 81 23.485 14.506 5.494 1.00 65.43 H new ATOM 0 HB VAL A 81 24.679 15.900 3.227 1.00 32.30 H new ATOM 0 HG11 VAL A 81 23.471 17.809 4.202 1.00 63.24 H new ATOM 0 HG12 VAL A 81 22.451 16.352 4.125 1.00 63.24 H new ATOM 0 HG13 VAL A 81 23.164 16.858 5.675 1.00 63.24 H new ATOM 0 HG21 VAL A 81 25.917 17.606 4.497 1.00 51.41 H new ATOM 0 HG22 VAL A 81 25.710 16.646 5.981 1.00 51.41 H new ATOM 0 HG23 VAL A 81 26.675 16.002 4.632 1.00 51.41 H new ATOM 1317 N PRO A 82 25.228 13.429 2.863 1.00 21.33 N ATOM 1318 CA PRO A 82 25.202 12.541 1.697 1.00 24.00 C ATOM 1319 C PRO A 82 25.191 11.068 2.090 1.00 21.31 C ATOM 1320 O PRO A 82 26.214 10.386 2.017 1.00 45.52 O ATOM 1321 CB PRO A 82 26.498 12.888 0.959 1.00 72.41 C ATOM 1322 CG PRO A 82 27.404 13.421 2.014 1.00 11.41 C ATOM 1323 CD PRO A 82 26.517 14.126 3.003 1.00 4.14 C ATOM 0 HA PRO A 82 24.303 12.681 1.097 1.00 24.00 H new ATOM 0 HB2 PRO A 82 26.926 12.009 0.477 1.00 72.41 H new ATOM 0 HB3 PRO A 82 26.323 13.627 0.177 1.00 72.41 H new ATOM 0 HG2 PRO A 82 27.961 12.616 2.494 1.00 11.41 H new ATOM 0 HG3 PRO A 82 28.137 14.107 1.589 1.00 11.41 H new ATOM 0 HD2 PRO A 82 26.907 14.050 4.018 1.00 4.14 H new ATOM 0 HD3 PRO A 82 26.426 15.188 2.775 1.00 4.14 H new ATOM 1331 N THR A 83 24.027 10.580 2.507 1.00 11.05 N ATOM 1332 CA THR A 83 23.883 9.188 2.913 1.00 74.43 C ATOM 1333 C THR A 83 23.034 8.409 1.914 1.00 41.32 C ATOM 1334 O THR A 83 22.250 8.991 1.164 1.00 13.11 O ATOM 1335 CB THR A 83 23.245 9.072 4.310 1.00 10.42 C ATOM 1336 OG1 THR A 83 22.643 10.319 4.678 1.00 24.44 O ATOM 1337 CG2 THR A 83 24.285 8.679 5.349 1.00 74.14 C ATOM 0 H THR A 83 23.170 11.129 2.572 1.00 11.05 H new ATOM 0 HA THR A 83 24.886 8.763 2.944 1.00 74.43 H new ATOM 0 HB THR A 83 22.480 8.296 4.273 1.00 10.42 H new ATOM 0 HG1 THR A 83 21.675 10.199 4.776 1.00 24.44 H new ATOM 0 HG21 THR A 83 23.811 8.603 6.328 1.00 74.14 H new ATOM 0 HG22 THR A 83 24.721 7.716 5.081 1.00 74.14 H new ATOM 0 HG23 THR A 83 25.069 9.435 5.383 1.00 74.14 H new ATOM 1345 N PHE A 84 23.195 7.090 1.909 1.00 44.23 N ATOM 1346 CA PHE A 84 22.444 6.232 1.001 1.00 73.42 C ATOM 1347 C PHE A 84 21.671 5.167 1.774 1.00 60.11 C ATOM 1348 O PHE A 84 22.262 4.291 2.405 1.00 32.34 O ATOM 1349 CB PHE A 84 23.387 5.565 -0.003 1.00 52.20 C ATOM 1350 CG PHE A 84 23.489 6.301 -1.309 1.00 23.43 C ATOM 1351 CD1 PHE A 84 23.296 5.637 -2.510 1.00 12.44 C ATOM 1352 CD2 PHE A 84 23.780 7.655 -1.335 1.00 12.21 C ATOM 1353 CE1 PHE A 84 23.389 6.311 -3.713 1.00 0.21 C ATOM 1354 CE2 PHE A 84 23.874 8.334 -2.535 1.00 12.31 C ATOM 1355 CZ PHE A 84 23.679 7.661 -3.725 1.00 45.34 C ATOM 0 H PHE A 84 23.839 6.592 2.524 1.00 44.23 H new ATOM 0 HA PHE A 84 21.731 6.854 0.461 1.00 73.42 H new ATOM 0 HB2 PHE A 84 24.380 5.487 0.440 1.00 52.20 H new ATOM 0 HB3 PHE A 84 23.042 4.549 -0.194 1.00 52.20 H new ATOM 0 HD1 PHE A 84 23.070 4.581 -2.506 1.00 12.44 H new ATOM 0 HD2 PHE A 84 23.935 8.186 -0.407 1.00 12.21 H new ATOM 0 HE1 PHE A 84 23.235 5.783 -4.642 1.00 0.21 H new ATOM 0 HE2 PHE A 84 24.100 9.390 -2.542 1.00 12.31 H new ATOM 0 HZ PHE A 84 23.753 8.190 -4.664 1.00 45.34 H new ATOM 1365 N VAL A 85 20.345 5.250 1.720 1.00 64.03 N ATOM 1366 CA VAL A 85 19.491 4.294 2.414 1.00 55.33 C ATOM 1367 C VAL A 85 18.703 3.442 1.425 1.00 53.52 C ATOM 1368 O VAL A 85 17.876 3.955 0.669 1.00 5.12 O ATOM 1369 CB VAL A 85 18.505 5.006 3.360 1.00 44.32 C ATOM 1370 CG1 VAL A 85 17.813 4.000 4.266 1.00 73.34 C ATOM 1371 CG2 VAL A 85 19.226 6.066 4.179 1.00 21.04 C ATOM 0 H VAL A 85 19.840 5.969 1.203 1.00 64.03 H new ATOM 0 HA VAL A 85 20.147 3.651 3.001 1.00 55.33 H new ATOM 0 HB VAL A 85 17.743 5.500 2.758 1.00 44.32 H new ATOM 0 HG11 VAL A 85 17.121 4.522 4.927 1.00 73.34 H new ATOM 0 HG12 VAL A 85 17.263 3.281 3.658 1.00 73.34 H new ATOM 0 HG13 VAL A 85 18.559 3.475 4.863 1.00 73.34 H new ATOM 0 HG21 VAL A 85 18.515 6.559 4.842 1.00 21.04 H new ATOM 0 HG22 VAL A 85 20.010 5.596 4.773 1.00 21.04 H new ATOM 0 HG23 VAL A 85 19.670 6.803 3.510 1.00 21.04 H new ATOM 1381 N ILE A 86 18.964 2.140 1.436 1.00 75.34 N ATOM 1382 CA ILE A 86 18.277 1.216 0.541 1.00 44.34 C ATOM 1383 C ILE A 86 17.148 0.489 1.262 1.00 70.42 C ATOM 1384 O ILE A 86 17.374 -0.191 2.263 1.00 41.44 O ATOM 1385 CB ILE A 86 19.249 0.177 -0.048 1.00 60.45 C ATOM 1386 CG1 ILE A 86 20.559 0.849 -0.464 1.00 60.14 C ATOM 1387 CG2 ILE A 86 18.611 -0.532 -1.234 1.00 24.20 C ATOM 1388 CD1 ILE A 86 21.613 -0.125 -0.942 1.00 61.30 C ATOM 0 H ILE A 86 19.646 1.700 2.054 1.00 75.34 H new ATOM 0 HA ILE A 86 17.860 1.813 -0.270 1.00 44.34 H new ATOM 0 HB ILE A 86 19.472 -0.566 0.718 1.00 60.45 H new ATOM 0 HG12 ILE A 86 20.353 1.567 -1.258 1.00 60.14 H new ATOM 0 HG13 ILE A 86 20.953 1.412 0.382 1.00 60.14 H new ATOM 0 HG21 ILE A 86 19.310 -1.263 -1.640 1.00 24.20 H new ATOM 0 HG22 ILE A 86 17.703 -1.040 -0.909 1.00 24.20 H new ATOM 0 HG23 ILE A 86 18.363 0.198 -2.004 1.00 24.20 H new ATOM 0 HD11 ILE A 86 22.514 0.422 -1.220 1.00 61.30 H new ATOM 0 HD12 ILE A 86 21.847 -0.828 -0.143 1.00 61.30 H new ATOM 0 HD13 ILE A 86 21.238 -0.671 -1.808 1.00 61.30 H new ATOM 1400 N GLU A 87 15.932 0.635 0.745 1.00 71.21 N ATOM 1401 CA GLU A 87 14.767 -0.010 1.340 1.00 42.11 C ATOM 1402 C GLU A 87 14.240 -1.121 0.437 1.00 70.31 C ATOM 1403 O GLU A 87 14.734 -1.323 -0.673 1.00 0.42 O ATOM 1404 CB GLU A 87 13.664 1.018 1.599 1.00 40.44 C ATOM 1405 CG GLU A 87 13.286 1.828 0.370 1.00 43.13 C ATOM 1406 CD GLU A 87 11.812 2.181 0.334 1.00 71.32 C ATOM 1407 OE1 GLU A 87 10.979 1.263 0.493 1.00 3.51 O ATOM 1408 OE2 GLU A 87 11.491 3.373 0.146 1.00 33.44 O ATOM 0 H GLU A 87 15.728 1.194 -0.084 1.00 71.21 H new ATOM 0 HA GLU A 87 15.073 -0.451 2.289 1.00 42.11 H new ATOM 0 HB2 GLU A 87 12.778 0.502 1.970 1.00 40.44 H new ATOM 0 HB3 GLU A 87 13.990 1.698 2.386 1.00 40.44 H new ATOM 0 HG2 GLU A 87 13.876 2.744 0.348 1.00 43.13 H new ATOM 0 HG3 GLU A 87 13.542 1.263 -0.526 1.00 43.13 H new ATOM 1415 N LYS A 88 13.233 -1.841 0.921 1.00 65.22 N ATOM 1416 CA LYS A 88 12.637 -2.932 0.159 1.00 21.33 C ATOM 1417 C LYS A 88 11.331 -3.392 0.799 1.00 22.34 C ATOM 1418 O LYS A 88 11.337 -4.096 1.808 1.00 24.52 O ATOM 1419 CB LYS A 88 13.612 -4.108 0.064 1.00 44.31 C ATOM 1420 CG LYS A 88 13.583 -4.815 -1.280 1.00 43.42 C ATOM 1421 CD LYS A 88 13.326 -6.304 -1.122 1.00 12.34 C ATOM 1422 CE LYS A 88 11.837 -6.613 -1.106 1.00 32.33 C ATOM 1423 NZ LYS A 88 11.452 -7.426 0.081 1.00 12.34 N ATOM 0 H LYS A 88 12.813 -1.688 1.838 1.00 65.22 H new ATOM 0 HA LYS A 88 12.421 -2.565 -0.844 1.00 21.33 H new ATOM 0 HB2 LYS A 88 14.623 -3.747 0.254 1.00 44.31 H new ATOM 0 HB3 LYS A 88 13.378 -4.827 0.849 1.00 44.31 H new ATOM 0 HG2 LYS A 88 12.807 -4.375 -1.906 1.00 43.42 H new ATOM 0 HG3 LYS A 88 14.532 -4.661 -1.793 1.00 43.42 H new ATOM 0 HD2 LYS A 88 13.802 -6.845 -1.939 1.00 12.34 H new ATOM 0 HD3 LYS A 88 13.782 -6.657 -0.197 1.00 12.34 H new ATOM 0 HE2 LYS A 88 11.273 -5.681 -1.106 1.00 32.33 H new ATOM 0 HE3 LYS A 88 11.567 -7.149 -2.016 1.00 32.33 H new ATOM 0 HZ1 LYS A 88 10.430 -7.615 0.055 1.00 12.34 H new ATOM 0 HZ2 LYS A 88 11.971 -8.327 0.068 1.00 12.34 H new ATOM 0 HZ3 LYS A 88 11.686 -6.904 0.950 1.00 12.34 H new ATOM 1437 N GLY A 89 10.212 -2.990 0.205 1.00 71.21 N ATOM 1438 CA GLY A 89 8.914 -3.372 0.731 1.00 62.15 C ATOM 1439 C GLY A 89 8.364 -2.356 1.712 1.00 42.25 C ATOM 1440 O GLY A 89 7.167 -2.073 1.717 1.00 32.35 O ATOM 0 H GLY A 89 10.181 -2.407 -0.631 1.00 71.21 H new ATOM 0 HA2 GLY A 89 8.212 -3.492 -0.094 1.00 62.15 H new ATOM 0 HA3 GLY A 89 8.996 -4.341 1.224 1.00 62.15 H new ATOM 1444 N GLY A 90 9.241 -1.805 2.546 1.00 64.35 N ATOM 1445 CA GLY A 90 8.817 -0.822 3.525 1.00 24.22 C ATOM 1446 C GLY A 90 9.597 -0.922 4.821 1.00 1.24 C ATOM 1447 O GLY A 90 9.011 -1.035 5.898 1.00 64.45 O ATOM 0 H GLY A 90 10.238 -2.022 2.561 1.00 64.35 H new ATOM 0 HA2 GLY A 90 8.938 0.178 3.108 1.00 24.22 H new ATOM 0 HA3 GLY A 90 7.755 -0.955 3.732 1.00 24.22 H new ATOM 1451 N GLU A 91 10.922 -0.881 4.718 1.00 12.20 N ATOM 1452 CA GLU A 91 11.782 -0.970 5.892 1.00 0.11 C ATOM 1453 C GLU A 91 13.254 -0.898 5.495 1.00 13.40 C ATOM 1454 O GLU A 91 13.632 -1.194 4.361 1.00 2.55 O ATOM 1455 CB GLU A 91 11.511 -2.270 6.653 1.00 51.51 C ATOM 1456 CG GLU A 91 11.347 -3.481 5.750 1.00 3.40 C ATOM 1457 CD GLU A 91 11.903 -4.749 6.368 1.00 5.43 C ATOM 1458 OE1 GLU A 91 13.131 -4.963 6.278 1.00 14.13 O ATOM 1459 OE2 GLU A 91 11.112 -5.526 6.942 1.00 65.25 O ATOM 0 H GLU A 91 11.423 -0.787 3.834 1.00 12.20 H new ATOM 0 HA GLU A 91 11.556 -0.124 6.541 1.00 0.11 H new ATOM 0 HB2 GLU A 91 12.332 -2.453 7.347 1.00 51.51 H new ATOM 0 HB3 GLU A 91 10.608 -2.149 7.252 1.00 51.51 H new ATOM 0 HG2 GLU A 91 10.289 -3.623 5.528 1.00 3.40 H new ATOM 0 HG3 GLU A 91 11.850 -3.293 4.801 1.00 3.40 H new ATOM 1466 N PRO A 92 14.105 -0.494 6.450 1.00 14.01 N ATOM 1467 CA PRO A 92 15.548 -0.373 6.225 1.00 50.13 C ATOM 1468 C PRO A 92 16.224 -1.729 6.058 1.00 25.32 C ATOM 1469 O PRO A 92 16.077 -2.616 6.900 1.00 12.15 O ATOM 1470 CB PRO A 92 16.048 0.322 7.494 1.00 61.13 C ATOM 1471 CG PRO A 92 15.043 -0.026 8.537 1.00 2.20 C ATOM 1472 CD PRO A 92 13.723 -0.125 7.824 1.00 61.32 C ATOM 0 HA PRO A 92 15.773 0.171 5.308 1.00 50.13 H new ATOM 0 HB2 PRO A 92 17.043 -0.027 7.771 1.00 61.13 H new ATOM 0 HB3 PRO A 92 16.116 1.401 7.354 1.00 61.13 H new ATOM 0 HG2 PRO A 92 15.296 -0.968 9.023 1.00 2.20 H new ATOM 0 HG3 PRO A 92 15.009 0.736 9.316 1.00 2.20 H new ATOM 0 HD2 PRO A 92 13.077 -0.877 8.277 1.00 61.32 H new ATOM 0 HD3 PRO A 92 13.180 0.820 7.850 1.00 61.32 H new ATOM 1480 N LEU A 93 16.967 -1.885 4.968 1.00 40.13 N ATOM 1481 CA LEU A 93 17.668 -3.134 4.691 1.00 75.21 C ATOM 1482 C LEU A 93 19.152 -3.010 5.018 1.00 42.04 C ATOM 1483 O LEU A 93 19.755 -3.927 5.573 1.00 31.34 O ATOM 1484 CB LEU A 93 17.488 -3.528 3.224 1.00 73.42 C ATOM 1485 CG LEU A 93 17.893 -4.957 2.858 1.00 1.31 C ATOM 1486 CD1 LEU A 93 17.159 -5.961 3.733 1.00 12.41 C ATOM 1487 CD2 LEU A 93 17.619 -5.228 1.386 1.00 30.41 C ATOM 0 H LEU A 93 17.100 -1.162 4.261 1.00 40.13 H new ATOM 0 HA LEU A 93 17.240 -3.911 5.325 1.00 75.21 H new ATOM 0 HB2 LEU A 93 16.440 -3.389 2.957 1.00 73.42 H new ATOM 0 HB3 LEU A 93 18.068 -2.839 2.610 1.00 73.42 H new ATOM 0 HG LEU A 93 18.963 -5.068 3.034 1.00 1.31 H new ATOM 0 HD11 LEU A 93 17.460 -6.972 3.458 1.00 12.41 H new ATOM 0 HD12 LEU A 93 17.406 -5.781 4.779 1.00 12.41 H new ATOM 0 HD13 LEU A 93 16.084 -5.851 3.590 1.00 12.41 H new ATOM 0 HD21 LEU A 93 17.913 -6.249 1.143 1.00 30.41 H new ATOM 0 HD22 LEU A 93 16.556 -5.099 1.184 1.00 30.41 H new ATOM 0 HD23 LEU A 93 18.192 -4.530 0.775 1.00 30.41 H new ATOM 1499 N GLY A 94 19.736 -1.867 4.670 1.00 0.00 N ATOM 1500 CA GLY A 94 21.145 -1.643 4.936 1.00 11.41 C ATOM 1501 C GLY A 94 21.499 -0.169 4.982 1.00 32.42 C ATOM 1502 O GLY A 94 20.649 0.670 5.277 1.00 51.12 O ATOM 0 H GLY A 94 19.259 -1.093 4.209 1.00 0.00 H new ATOM 0 HA2 GLY A 94 21.411 -2.107 5.886 1.00 11.41 H new ATOM 0 HA3 GLY A 94 21.740 -2.132 4.165 1.00 11.41 H new ATOM 1506 N GLU A 95 22.758 0.145 4.692 1.00 75.31 N ATOM 1507 CA GLU A 95 23.222 1.527 4.704 1.00 35.04 C ATOM 1508 C GLU A 95 24.595 1.646 4.050 1.00 73.14 C ATOM 1509 O GLU A 95 25.413 0.730 4.127 1.00 25.23 O ATOM 1510 CB GLU A 95 23.281 2.055 6.139 1.00 0.41 C ATOM 1511 CG GLU A 95 24.555 1.677 6.875 1.00 64.22 C ATOM 1512 CD GLU A 95 25.678 2.670 6.645 1.00 25.51 C ATOM 1513 OE1 GLU A 95 25.405 3.888 6.661 1.00 12.05 O ATOM 1514 OE2 GLU A 95 26.830 2.229 6.449 1.00 60.41 O ATOM 0 H GLU A 95 23.474 -0.539 4.446 1.00 75.31 H new ATOM 0 HA GLU A 95 22.514 2.126 4.132 1.00 35.04 H new ATOM 0 HB2 GLU A 95 23.190 3.141 6.121 1.00 0.41 H new ATOM 0 HB3 GLU A 95 22.424 1.672 6.693 1.00 0.41 H new ATOM 0 HG2 GLU A 95 24.347 1.610 7.943 1.00 64.22 H new ATOM 0 HG3 GLU A 95 24.878 0.688 6.551 1.00 64.22 H new ATOM 1521 N VAL A 96 24.839 2.782 3.404 1.00 65.45 N ATOM 1522 CA VAL A 96 26.113 3.022 2.735 1.00 32.22 C ATOM 1523 C VAL A 96 26.539 4.479 2.873 1.00 25.10 C ATOM 1524 O VAL A 96 25.705 5.384 2.880 1.00 11.12 O ATOM 1525 CB VAL A 96 26.039 2.659 1.240 1.00 2.11 C ATOM 1526 CG1 VAL A 96 27.359 2.967 0.550 1.00 2.40 C ATOM 1527 CG2 VAL A 96 25.666 1.195 1.065 1.00 20.23 C ATOM 0 H VAL A 96 24.172 3.550 3.330 1.00 65.45 H new ATOM 0 HA VAL A 96 26.851 2.383 3.220 1.00 32.22 H new ATOM 0 HB VAL A 96 25.263 3.266 0.775 1.00 2.11 H new ATOM 0 HG11 VAL A 96 27.288 2.704 -0.505 1.00 2.40 H new ATOM 0 HG12 VAL A 96 27.580 4.030 0.645 1.00 2.40 H new ATOM 0 HG13 VAL A 96 28.157 2.388 1.015 1.00 2.40 H new ATOM 0 HG21 VAL A 96 25.618 0.956 0.003 1.00 20.23 H new ATOM 0 HG22 VAL A 96 26.418 0.568 1.544 1.00 20.23 H new ATOM 0 HG23 VAL A 96 24.694 1.010 1.522 1.00 20.23 H new ATOM 1537 N LYS A 97 27.845 4.700 2.982 1.00 62.51 N ATOM 1538 CA LYS A 97 28.385 6.047 3.118 1.00 43.02 C ATOM 1539 C LYS A 97 29.805 6.123 2.564 1.00 33.33 C ATOM 1540 O LYS A 97 30.576 5.171 2.675 1.00 21.20 O ATOM 1541 CB LYS A 97 28.376 6.477 4.587 1.00 72.34 C ATOM 1542 CG LYS A 97 29.441 5.794 5.427 1.00 41.11 C ATOM 1543 CD LYS A 97 30.526 6.770 5.852 1.00 33.42 C ATOM 1544 CE LYS A 97 31.719 6.722 4.910 1.00 54.32 C ATOM 1545 NZ LYS A 97 32.981 7.120 5.592 1.00 31.35 N ATOM 0 H LYS A 97 28.549 3.962 2.979 1.00 62.51 H new ATOM 0 HA LYS A 97 27.753 6.724 2.544 1.00 43.02 H new ATOM 0 HB2 LYS A 97 28.519 7.556 4.642 1.00 72.34 H new ATOM 0 HB3 LYS A 97 27.396 6.263 5.014 1.00 72.34 H new ATOM 0 HG2 LYS A 97 28.981 5.352 6.311 1.00 41.11 H new ATOM 0 HG3 LYS A 97 29.887 4.978 4.858 1.00 41.11 H new ATOM 0 HD2 LYS A 97 30.119 7.781 5.874 1.00 33.42 H new ATOM 0 HD3 LYS A 97 30.852 6.535 6.865 1.00 33.42 H new ATOM 0 HE2 LYS A 97 31.825 5.714 4.510 1.00 54.32 H new ATOM 0 HE3 LYS A 97 31.540 7.384 4.063 1.00 54.32 H new ATOM 0 HZ1 LYS A 97 33.770 7.074 4.916 1.00 31.35 H new ATOM 0 HZ2 LYS A 97 32.890 8.091 5.952 1.00 31.35 H new ATOM 0 HZ3 LYS A 97 33.166 6.473 6.385 1.00 31.35 H new ATOM 1559 N GLY A 98 30.143 7.262 1.969 1.00 41.51 N ATOM 1560 CA GLY A 98 31.470 7.441 1.408 1.00 13.25 C ATOM 1561 C GLY A 98 31.453 7.527 -0.105 1.00 1.22 C ATOM 1562 O GLY A 98 30.527 7.054 -0.765 1.00 5.43 O ATOM 0 H GLY A 98 29.522 8.064 1.865 1.00 41.51 H new ATOM 0 HA2 GLY A 98 31.914 8.349 1.815 1.00 13.25 H new ATOM 0 HA3 GLY A 98 32.106 6.610 1.714 1.00 13.25 H new ATOM 1566 N PRO A 99 32.497 8.145 -0.678 1.00 14.22 N ATOM 1567 CA PRO A 99 32.621 8.307 -2.129 1.00 41.44 C ATOM 1568 C PRO A 99 32.889 6.985 -2.840 1.00 32.24 C ATOM 1569 O PRO A 99 34.034 6.544 -2.940 1.00 40.24 O ATOM 1570 CB PRO A 99 33.820 9.247 -2.280 1.00 13.42 C ATOM 1571 CG PRO A 99 34.625 9.036 -1.044 1.00 74.32 C ATOM 1572 CD PRO A 99 33.636 8.733 0.047 1.00 33.33 C ATOM 0 HA PRO A 99 31.703 8.689 -2.576 1.00 41.44 H new ATOM 0 HB2 PRO A 99 34.398 9.011 -3.174 1.00 13.42 H new ATOM 0 HB3 PRO A 99 33.500 10.285 -2.372 1.00 13.42 H new ATOM 0 HG2 PRO A 99 35.329 8.214 -1.172 1.00 74.32 H new ATOM 0 HG3 PRO A 99 35.211 9.923 -0.804 1.00 74.32 H new ATOM 0 HD2 PRO A 99 34.047 8.039 0.780 1.00 33.33 H new ATOM 0 HD3 PRO A 99 33.346 9.634 0.588 1.00 33.33 H new ATOM 1580 N ASP A 100 31.826 6.357 -3.330 1.00 63.45 N ATOM 1581 CA ASP A 100 31.947 5.084 -4.033 1.00 41.51 C ATOM 1582 C ASP A 100 30.776 4.878 -4.988 1.00 74.30 C ATOM 1583 O ASP A 100 30.091 3.855 -4.934 1.00 1.51 O ATOM 1584 CB ASP A 100 32.016 3.929 -3.033 1.00 12.52 C ATOM 1585 CG ASP A 100 32.826 2.759 -3.555 1.00 1.25 C ATOM 1586 OD1 ASP A 100 33.358 2.860 -4.680 1.00 74.14 O ATOM 1587 OD2 ASP A 100 32.929 1.743 -2.837 1.00 25.23 O ATOM 0 H ASP A 100 30.871 6.708 -3.254 1.00 63.45 H new ATOM 0 HA ASP A 100 32.868 5.105 -4.615 1.00 41.51 H new ATOM 0 HB2 ASP A 100 32.456 4.285 -2.101 1.00 12.52 H new ATOM 0 HB3 ASP A 100 31.006 3.593 -2.800 1.00 12.52 H new ATOM 1592 N ILE A 101 30.550 5.854 -5.860 1.00 43.52 N ATOM 1593 CA ILE A 101 29.462 5.779 -6.827 1.00 13.15 C ATOM 1594 C ILE A 101 29.662 4.615 -7.791 1.00 5.10 C ATOM 1595 O ILE A 101 28.698 4.014 -8.264 1.00 32.00 O ATOM 1596 CB ILE A 101 29.335 7.084 -7.634 1.00 55.22 C ATOM 1597 CG1 ILE A 101 28.691 8.178 -6.779 1.00 42.03 C ATOM 1598 CG2 ILE A 101 28.523 6.847 -8.899 1.00 42.32 C ATOM 1599 CD1 ILE A 101 27.264 7.873 -6.381 1.00 24.43 C ATOM 0 H ILE A 101 31.106 6.707 -5.917 1.00 43.52 H new ATOM 0 HA ILE A 101 28.545 5.623 -6.259 1.00 13.15 H new ATOM 0 HB ILE A 101 30.333 7.414 -7.922 1.00 55.22 H new ATOM 0 HG12 ILE A 101 29.288 8.322 -5.878 1.00 42.03 H new ATOM 0 HG13 ILE A 101 28.713 9.118 -7.330 1.00 42.03 H new ATOM 0 HG21 ILE A 101 28.442 7.779 -9.459 1.00 42.32 H new ATOM 0 HG22 ILE A 101 29.019 6.096 -9.514 1.00 42.32 H new ATOM 0 HG23 ILE A 101 27.526 6.497 -8.631 1.00 42.32 H new ATOM 0 HD11 ILE A 101 26.872 8.691 -5.777 1.00 24.43 H new ATOM 0 HD12 ILE A 101 26.653 7.758 -7.276 1.00 24.43 H new ATOM 0 HD13 ILE A 101 27.237 6.950 -5.802 1.00 24.43 H new ATOM 1611 N ASP A 102 30.921 4.301 -8.077 1.00 2.41 N ATOM 1612 CA ASP A 102 31.250 3.207 -8.983 1.00 34.11 C ATOM 1613 C ASP A 102 30.906 1.860 -8.355 1.00 20.12 C ATOM 1614 O ASP A 102 30.119 1.089 -8.904 1.00 15.10 O ATOM 1615 CB ASP A 102 32.734 3.249 -9.351 1.00 34.45 C ATOM 1616 CG ASP A 102 33.014 4.167 -10.524 1.00 31.12 C ATOM 1617 OD1 ASP A 102 32.664 5.363 -10.438 1.00 60.14 O ATOM 1618 OD2 ASP A 102 33.584 3.690 -11.527 1.00 71.11 O ATOM 0 H ASP A 102 31.731 4.789 -7.694 1.00 2.41 H new ATOM 0 HA ASP A 102 30.656 3.327 -9.889 1.00 34.11 H new ATOM 0 HB2 ASP A 102 33.310 3.582 -8.488 1.00 34.45 H new ATOM 0 HB3 ASP A 102 33.074 2.242 -9.592 1.00 34.45 H new ATOM 1623 N LYS A 103 31.503 1.582 -7.201 1.00 32.43 N ATOM 1624 CA LYS A 103 31.261 0.328 -6.496 1.00 51.14 C ATOM 1625 C LYS A 103 29.787 0.186 -6.128 1.00 44.35 C ATOM 1626 O LYS A 103 29.313 -0.912 -5.836 1.00 30.15 O ATOM 1627 CB LYS A 103 32.122 0.254 -5.234 1.00 1.35 C ATOM 1628 CG LYS A 103 32.395 -1.165 -4.765 1.00 50.44 C ATOM 1629 CD LYS A 103 32.290 -1.283 -3.254 1.00 60.12 C ATOM 1630 CE LYS A 103 31.789 -2.657 -2.836 1.00 62.23 C ATOM 1631 NZ LYS A 103 32.897 -3.530 -2.358 1.00 43.34 N ATOM 0 H LYS A 103 32.158 2.208 -6.734 1.00 32.43 H new ATOM 0 HA LYS A 103 31.532 -0.492 -7.161 1.00 51.14 H new ATOM 0 HB2 LYS A 103 33.072 0.754 -5.423 1.00 1.35 H new ATOM 0 HB3 LYS A 103 31.626 0.803 -4.434 1.00 1.35 H new ATOM 0 HG2 LYS A 103 31.686 -1.847 -5.234 1.00 50.44 H new ATOM 0 HG3 LYS A 103 33.391 -1.470 -5.086 1.00 50.44 H new ATOM 0 HD2 LYS A 103 33.266 -1.098 -2.805 1.00 60.12 H new ATOM 0 HD3 LYS A 103 31.614 -0.517 -2.874 1.00 60.12 H new ATOM 0 HE2 LYS A 103 31.046 -2.548 -2.046 1.00 62.23 H new ATOM 0 HE3 LYS A 103 31.289 -3.133 -3.680 1.00 62.23 H new ATOM 0 HZ1 LYS A 103 32.514 -4.457 -2.083 1.00 43.34 H new ATOM 0 HZ2 LYS A 103 33.594 -3.655 -3.120 1.00 43.34 H new ATOM 0 HZ3 LYS A 103 33.358 -3.088 -1.537 1.00 43.34 H new ATOM 1645 N LEU A 104 29.068 1.303 -6.147 1.00 33.32 N ATOM 1646 CA LEU A 104 27.647 1.303 -5.817 1.00 32.45 C ATOM 1647 C LEU A 104 26.914 0.195 -6.566 1.00 74.30 C ATOM 1648 O LEU A 104 25.955 -0.384 -6.055 1.00 74.24 O ATOM 1649 CB LEU A 104 27.025 2.659 -6.152 1.00 51.24 C ATOM 1650 CG LEU A 104 25.596 2.884 -5.657 1.00 32.42 C ATOM 1651 CD1 LEU A 104 25.594 3.753 -4.409 1.00 30.32 C ATOM 1652 CD2 LEU A 104 24.745 3.515 -6.750 1.00 23.44 C ATOM 0 H LEU A 104 29.445 2.220 -6.387 1.00 33.32 H new ATOM 0 HA LEU A 104 27.548 1.120 -4.747 1.00 32.45 H new ATOM 0 HB2 LEU A 104 27.660 3.440 -5.734 1.00 51.24 H new ATOM 0 HB3 LEU A 104 27.037 2.784 -7.235 1.00 51.24 H new ATOM 0 HG LEU A 104 25.164 1.916 -5.402 1.00 32.42 H new ATOM 0 HD11 LEU A 104 24.568 3.902 -4.071 1.00 30.32 H new ATOM 0 HD12 LEU A 104 26.167 3.262 -3.623 1.00 30.32 H new ATOM 0 HD13 LEU A 104 26.045 4.719 -4.637 1.00 30.32 H new ATOM 0 HD21 LEU A 104 23.731 3.668 -6.379 1.00 23.44 H new ATOM 0 HD22 LEU A 104 25.175 4.475 -7.037 1.00 23.44 H new ATOM 0 HD23 LEU A 104 24.719 2.855 -7.617 1.00 23.44 H new ATOM 1664 N ARG A 105 27.373 -0.096 -7.779 1.00 32.33 N ATOM 1665 CA ARG A 105 26.761 -1.136 -8.598 1.00 43.41 C ATOM 1666 C ARG A 105 26.709 -2.461 -7.845 1.00 32.44 C ATOM 1667 O ARG A 105 25.704 -3.170 -7.886 1.00 53.02 O ATOM 1668 CB ARG A 105 27.539 -1.309 -9.904 1.00 24.33 C ATOM 1669 CG ARG A 105 27.689 -0.023 -10.699 1.00 52.14 C ATOM 1670 CD ARG A 105 28.659 -0.194 -11.858 1.00 4.25 C ATOM 1671 NE ARG A 105 30.047 -0.007 -11.441 1.00 53.22 N ATOM 1672 CZ ARG A 105 31.089 -0.261 -12.224 1.00 5.11 C ATOM 1673 NH1 ARG A 105 30.903 -0.710 -13.457 1.00 51.45 N ATOM 1674 NH2 ARG A 105 32.322 -0.065 -11.773 1.00 61.52 N ATOM 0 H ARG A 105 28.166 0.373 -8.216 1.00 32.33 H new ATOM 0 HA ARG A 105 25.741 -0.829 -8.828 1.00 43.41 H new ATOM 0 HB2 ARG A 105 28.529 -1.703 -9.677 1.00 24.33 H new ATOM 0 HB3 ARG A 105 27.034 -2.051 -10.522 1.00 24.33 H new ATOM 0 HG2 ARG A 105 26.716 0.286 -11.080 1.00 52.14 H new ATOM 0 HG3 ARG A 105 28.041 0.773 -10.043 1.00 52.14 H new ATOM 0 HD2 ARG A 105 28.540 -1.189 -12.287 1.00 4.25 H new ATOM 0 HD3 ARG A 105 28.416 0.522 -12.643 1.00 4.25 H new ATOM 0 HE ARG A 105 30.225 0.337 -10.498 1.00 53.22 H new ATOM 0 HH11 ARG A 105 29.957 -0.862 -13.807 1.00 51.45 H new ATOM 0 HH12 ARG A 105 31.706 -0.904 -14.056 1.00 51.45 H new ATOM 0 HH21 ARG A 105 32.469 0.281 -10.825 1.00 61.52 H new ATOM 0 HH22 ARG A 105 33.122 -0.260 -12.375 1.00 61.52 H new ATOM 1688 N GLU A 106 27.799 -2.789 -7.157 1.00 75.34 N ATOM 1689 CA GLU A 106 27.876 -4.031 -6.396 1.00 41.41 C ATOM 1690 C GLU A 106 27.322 -3.840 -4.987 1.00 70.21 C ATOM 1691 O GLU A 106 26.645 -4.717 -4.449 1.00 71.24 O ATOM 1692 CB GLU A 106 29.324 -4.522 -6.325 1.00 15.53 C ATOM 1693 CG GLU A 106 30.087 -4.356 -7.628 1.00 22.51 C ATOM 1694 CD GLU A 106 31.338 -5.212 -7.684 1.00 33.43 C ATOM 1695 OE1 GLU A 106 31.221 -6.444 -7.510 1.00 3.33 O ATOM 1696 OE2 GLU A 106 32.432 -4.652 -7.901 1.00 10.41 O ATOM 0 H GLU A 106 28.639 -2.213 -7.111 1.00 75.34 H new ATOM 0 HA GLU A 106 27.271 -4.780 -6.907 1.00 41.41 H new ATOM 0 HB2 GLU A 106 29.845 -3.978 -5.537 1.00 15.53 H new ATOM 0 HB3 GLU A 106 29.328 -5.575 -6.043 1.00 15.53 H new ATOM 0 HG2 GLU A 106 29.435 -4.616 -8.462 1.00 22.51 H new ATOM 0 HG3 GLU A 106 30.362 -3.309 -7.753 1.00 22.51 H new ATOM 1703 N THR A 107 27.615 -2.687 -4.393 1.00 31.50 N ATOM 1704 CA THR A 107 27.149 -2.381 -3.047 1.00 34.45 C ATOM 1705 C THR A 107 25.628 -2.441 -2.965 1.00 34.34 C ATOM 1706 O THR A 107 25.064 -2.750 -1.914 1.00 12.33 O ATOM 1707 CB THR A 107 27.621 -0.988 -2.592 1.00 4.25 C ATOM 1708 OG1 THR A 107 28.975 -0.770 -3.005 1.00 71.51 O ATOM 1709 CG2 THR A 107 27.519 -0.848 -1.080 1.00 70.41 C ATOM 0 H THR A 107 28.173 -1.950 -4.824 1.00 31.50 H new ATOM 0 HA THR A 107 27.576 -3.135 -2.386 1.00 34.45 H new ATOM 0 HB THR A 107 26.975 -0.242 -3.055 1.00 4.25 H new ATOM 0 HG1 THR A 107 29.267 0.119 -2.713 1.00 71.51 H new ATOM 0 HG21 THR A 107 27.858 0.144 -0.783 1.00 70.41 H new ATOM 0 HG22 THR A 107 26.483 -0.985 -0.771 1.00 70.41 H new ATOM 0 HG23 THR A 107 28.143 -1.603 -0.602 1.00 70.41 H new ATOM 1717 N LEU A 108 24.968 -2.146 -4.079 1.00 13.50 N ATOM 1718 CA LEU A 108 23.510 -2.167 -4.134 1.00 1.45 C ATOM 1719 C LEU A 108 22.996 -3.574 -4.420 1.00 2.11 C ATOM 1720 O LEU A 108 21.860 -3.911 -4.085 1.00 43.21 O ATOM 1721 CB LEU A 108 23.006 -1.199 -5.206 1.00 62.20 C ATOM 1722 CG LEU A 108 22.708 -1.811 -6.575 1.00 71.22 C ATOM 1723 CD1 LEU A 108 21.269 -2.300 -6.639 1.00 64.52 C ATOM 1724 CD2 LEU A 108 22.980 -0.802 -7.681 1.00 53.11 C ATOM 0 H LEU A 108 25.419 -1.889 -4.957 1.00 13.50 H new ATOM 0 HA LEU A 108 23.130 -1.852 -3.162 1.00 1.45 H new ATOM 0 HB2 LEU A 108 22.098 -0.722 -4.838 1.00 62.20 H new ATOM 0 HB3 LEU A 108 23.750 -0.413 -5.336 1.00 62.20 H new ATOM 0 HG LEU A 108 23.368 -2.666 -6.721 1.00 71.22 H new ATOM 0 HD11 LEU A 108 21.075 -2.732 -7.621 1.00 64.52 H new ATOM 0 HD12 LEU A 108 21.107 -3.056 -5.871 1.00 64.52 H new ATOM 0 HD13 LEU A 108 20.592 -1.462 -6.471 1.00 64.52 H new ATOM 0 HD21 LEU A 108 22.762 -1.255 -8.648 1.00 53.11 H new ATOM 0 HD22 LEU A 108 22.346 0.073 -7.539 1.00 53.11 H new ATOM 0 HD23 LEU A 108 24.027 -0.500 -7.649 1.00 53.11 H new ATOM 1736 N ASP A 109 23.840 -4.392 -5.039 1.00 43.40 N ATOM 1737 CA ASP A 109 23.473 -5.764 -5.368 1.00 30.25 C ATOM 1738 C ASP A 109 23.656 -6.679 -4.161 1.00 33.32 C ATOM 1739 O ASP A 109 22.798 -7.510 -3.865 1.00 34.01 O ATOM 1740 CB ASP A 109 24.312 -6.273 -6.541 1.00 5.54 C ATOM 1741 CG ASP A 109 24.392 -7.786 -6.583 1.00 2.15 C ATOM 1742 OD1 ASP A 109 25.521 -8.321 -6.577 1.00 74.42 O ATOM 1743 OD2 ASP A 109 23.326 -8.435 -6.620 1.00 1.12 O ATOM 0 H ASP A 109 24.784 -4.128 -5.323 1.00 43.40 H new ATOM 0 HA ASP A 109 22.421 -5.774 -5.654 1.00 30.25 H new ATOM 0 HB2 ASP A 109 23.884 -5.909 -7.475 1.00 5.54 H new ATOM 0 HB3 ASP A 109 25.319 -5.861 -6.470 1.00 5.54 H new ATOM 1748 N GLU A 110 24.780 -6.521 -3.469 1.00 51.11 N ATOM 1749 CA GLU A 110 25.075 -7.335 -2.296 1.00 2.22 C ATOM 1750 C GLU A 110 23.940 -7.257 -1.280 1.00 15.34 C ATOM 1751 O GLU A 110 23.762 -8.158 -0.459 1.00 71.44 O ATOM 1752 CB GLU A 110 26.385 -6.880 -1.649 1.00 23.21 C ATOM 1753 CG GLU A 110 27.547 -6.792 -2.624 1.00 22.30 C ATOM 1754 CD GLU A 110 28.584 -7.875 -2.396 1.00 34.43 C ATOM 1755 OE1 GLU A 110 28.793 -8.698 -3.312 1.00 34.32 O ATOM 1756 OE2 GLU A 110 29.185 -7.901 -1.302 1.00 2.32 O ATOM 0 H GLU A 110 25.501 -5.837 -3.700 1.00 51.11 H new ATOM 0 HA GLU A 110 25.178 -8.370 -2.621 1.00 2.22 H new ATOM 0 HB2 GLU A 110 26.233 -5.904 -1.189 1.00 23.21 H new ATOM 0 HB3 GLU A 110 26.645 -7.573 -0.849 1.00 23.21 H new ATOM 0 HG2 GLU A 110 27.168 -6.866 -3.643 1.00 22.30 H new ATOM 0 HG3 GLU A 110 28.021 -5.815 -2.531 1.00 22.30 H new ATOM 1763 N LEU A 111 23.174 -6.173 -1.339 1.00 53.15 N ATOM 1764 CA LEU A 111 22.055 -5.975 -0.425 1.00 33.33 C ATOM 1765 C LEU A 111 20.733 -6.340 -1.094 1.00 3.12 C ATOM 1766 O LEU A 111 19.939 -7.107 -0.547 1.00 41.34 O ATOM 1767 CB LEU A 111 22.013 -4.523 0.055 1.00 31.42 C ATOM 1768 CG LEU A 111 20.689 -4.054 0.660 1.00 62.20 C ATOM 1769 CD1 LEU A 111 20.937 -3.037 1.763 1.00 22.54 C ATOM 1770 CD2 LEU A 111 19.789 -3.466 -0.417 1.00 63.32 C ATOM 0 H LEU A 111 23.308 -5.417 -2.011 1.00 53.15 H new ATOM 0 HA LEU A 111 22.200 -6.631 0.433 1.00 33.33 H new ATOM 0 HB2 LEU A 111 22.798 -4.384 0.798 1.00 31.42 H new ATOM 0 HB3 LEU A 111 22.254 -3.876 -0.788 1.00 31.42 H new ATOM 0 HG LEU A 111 20.185 -4.917 1.096 1.00 62.20 H new ATOM 0 HD11 LEU A 111 19.984 -2.715 2.182 1.00 22.54 H new ATOM 0 HD12 LEU A 111 21.543 -3.491 2.547 1.00 22.54 H new ATOM 0 HD13 LEU A 111 21.463 -2.175 1.352 1.00 22.54 H new ATOM 0 HD21 LEU A 111 18.851 -3.138 0.032 1.00 63.32 H new ATOM 0 HD22 LEU A 111 20.286 -2.615 -0.882 1.00 63.32 H new ATOM 0 HD23 LEU A 111 19.584 -4.224 -1.173 1.00 63.32 H new ATOM 1782 N LEU A 112 20.505 -5.788 -2.280 1.00 51.41 N ATOM 1783 CA LEU A 112 19.280 -6.056 -3.026 1.00 63.21 C ATOM 1784 C LEU A 112 19.129 -7.548 -3.305 1.00 60.14 C ATOM 1785 O LEU A 112 18.028 -8.033 -3.564 1.00 12.34 O ATOM 1786 CB LEU A 112 19.280 -5.277 -4.342 1.00 42.33 C ATOM 1787 CG LEU A 112 17.940 -5.195 -5.074 1.00 12.34 C ATOM 1788 CD1 LEU A 112 16.867 -4.626 -4.159 1.00 15.33 C ATOM 1789 CD2 LEU A 112 18.071 -4.352 -6.334 1.00 14.11 C ATOM 0 H LEU A 112 21.152 -5.152 -2.746 1.00 51.41 H new ATOM 0 HA LEU A 112 18.435 -5.731 -2.419 1.00 63.21 H new ATOM 0 HB2 LEU A 112 19.624 -4.262 -4.140 1.00 42.33 H new ATOM 0 HB3 LEU A 112 20.009 -5.733 -5.011 1.00 42.33 H new ATOM 0 HG LEU A 112 17.644 -6.203 -5.365 1.00 12.34 H new ATOM 0 HD11 LEU A 112 15.920 -4.575 -4.697 1.00 15.33 H new ATOM 0 HD12 LEU A 112 16.755 -5.269 -3.286 1.00 15.33 H new ATOM 0 HD13 LEU A 112 17.156 -3.625 -3.837 1.00 15.33 H new ATOM 0 HD21 LEU A 112 17.108 -4.305 -6.842 1.00 14.11 H new ATOM 0 HD22 LEU A 112 18.390 -3.345 -6.066 1.00 14.11 H new ATOM 0 HD23 LEU A 112 18.809 -4.802 -6.998 1.00 14.11 H new ATOM 1801 N ALA A 113 20.243 -8.271 -3.250 1.00 33.24 N ATOM 1802 CA ALA A 113 20.233 -9.708 -3.492 1.00 63.43 C ATOM 1803 C ALA A 113 19.250 -10.415 -2.565 1.00 64.31 C ATOM 1804 O ALA A 113 18.740 -11.488 -2.888 1.00 54.10 O ATOM 1805 CB ALA A 113 21.632 -10.282 -3.318 1.00 73.24 C ATOM 0 H ALA A 113 21.163 -7.885 -3.040 1.00 33.24 H new ATOM 0 HA ALA A 113 19.908 -9.876 -4.519 1.00 63.43 H new ATOM 0 HB1 ALA A 113 21.610 -11.356 -3.502 1.00 73.24 H new ATOM 0 HB2 ALA A 113 22.311 -9.807 -4.026 1.00 73.24 H new ATOM 0 HB3 ALA A 113 21.978 -10.095 -2.302 1.00 73.24 H new ATOM 1811 N ARG A 114 18.991 -9.808 -1.412 1.00 15.11 N ATOM 1812 CA ARG A 114 18.070 -10.381 -0.437 1.00 41.32 C ATOM 1813 C ARG A 114 16.722 -10.694 -1.081 1.00 4.03 C ATOM 1814 O ARG A 114 16.101 -11.715 -0.781 1.00 45.30 O ATOM 1815 CB ARG A 114 17.875 -9.421 0.738 1.00 44.53 C ATOM 1816 CG ARG A 114 17.645 -10.122 2.066 1.00 24.42 C ATOM 1817 CD ARG A 114 18.958 -10.423 2.772 1.00 3.42 C ATOM 1818 NE ARG A 114 19.383 -11.806 2.574 1.00 55.10 N ATOM 1819 CZ ARG A 114 20.631 -12.224 2.749 1.00 43.14 C ATOM 1820 NH1 ARG A 114 21.573 -11.370 3.123 1.00 5.34 N ATOM 1821 NH2 ARG A 114 20.940 -13.499 2.549 1.00 54.14 N ATOM 0 H ARG A 114 19.406 -8.920 -1.130 1.00 15.11 H new ATOM 0 HA ARG A 114 18.503 -11.311 -0.069 1.00 41.32 H new ATOM 0 HB2 ARG A 114 18.753 -8.781 0.822 1.00 44.53 H new ATOM 0 HB3 ARG A 114 17.025 -8.771 0.528 1.00 44.53 H new ATOM 0 HG2 ARG A 114 17.022 -9.497 2.705 1.00 24.42 H new ATOM 0 HG3 ARG A 114 17.099 -11.051 1.899 1.00 24.42 H new ATOM 0 HD2 ARG A 114 19.731 -9.750 2.401 1.00 3.42 H new ATOM 0 HD3 ARG A 114 18.849 -10.227 3.839 1.00 3.42 H new ATOM 0 HE ARG A 114 18.682 -12.489 2.285 1.00 55.10 H new ATOM 0 HH11 ARG A 114 21.340 -10.389 3.277 1.00 5.34 H new ATOM 0 HH12 ARG A 114 22.531 -11.694 3.257 1.00 5.34 H new ATOM 0 HH21 ARG A 114 20.218 -14.159 2.260 1.00 54.14 H new ATOM 0 HH22 ARG A 114 21.899 -13.818 2.684 1.00 54.14 H new ATOM 1835 N LEU A 115 16.275 -9.810 -1.965 1.00 45.35 N ATOM 1836 CA LEU A 115 15.001 -9.991 -2.652 1.00 11.04 C ATOM 1837 C LEU A 115 14.937 -11.356 -3.330 1.00 11.31 C ATOM 1838 O LEU A 115 13.994 -12.119 -3.122 1.00 41.51 O ATOM 1839 CB LEU A 115 14.795 -8.884 -3.687 1.00 14.01 C ATOM 1840 CG LEU A 115 13.344 -8.579 -4.063 1.00 43.04 C ATOM 1841 CD1 LEU A 115 13.197 -7.125 -4.485 1.00 34.31 C ATOM 1842 CD2 LEU A 115 12.875 -9.508 -5.173 1.00 74.32 C ATOM 0 H LEU A 115 16.776 -8.960 -2.223 1.00 45.35 H new ATOM 0 HA LEU A 115 14.205 -9.937 -1.909 1.00 11.04 H new ATOM 0 HB2 LEU A 115 15.251 -7.970 -3.307 1.00 14.01 H new ATOM 0 HB3 LEU A 115 15.335 -9.157 -4.594 1.00 14.01 H new ATOM 0 HG LEU A 115 12.718 -8.747 -3.187 1.00 43.04 H new ATOM 0 HD11 LEU A 115 12.158 -6.926 -4.749 1.00 34.31 H new ATOM 0 HD12 LEU A 115 13.493 -6.475 -3.661 1.00 34.31 H new ATOM 0 HD13 LEU A 115 13.834 -6.930 -5.348 1.00 34.31 H new ATOM 0 HD21 LEU A 115 11.841 -9.277 -5.428 1.00 74.32 H new ATOM 0 HD22 LEU A 115 13.505 -9.371 -6.052 1.00 74.32 H new ATOM 0 HD23 LEU A 115 12.943 -10.542 -4.835 1.00 74.32 H new ATOM 1854 N GLU A 116 15.947 -11.656 -4.140 1.00 25.44 N ATOM 1855 CA GLU A 116 16.006 -12.930 -4.847 1.00 34.21 C ATOM 1856 C GLU A 116 17.173 -13.777 -4.347 1.00 75.22 C ATOM 1857 O GLU A 116 17.060 -14.996 -4.226 1.00 32.41 O ATOM 1858 CB GLU A 116 16.139 -12.697 -6.353 1.00 52.13 C ATOM 1859 CG GLU A 116 14.880 -12.141 -6.997 1.00 14.13 C ATOM 1860 CD GLU A 116 13.684 -13.058 -6.826 1.00 52.52 C ATOM 1861 OE1 GLU A 116 12.545 -12.592 -7.042 1.00 30.21 O ATOM 1862 OE2 GLU A 116 13.886 -14.239 -6.477 1.00 62.11 O ATOM 0 H GLU A 116 16.735 -11.035 -4.323 1.00 25.44 H new ATOM 0 HA GLU A 116 15.079 -13.468 -4.650 1.00 34.21 H new ATOM 0 HB2 GLU A 116 16.964 -12.008 -6.534 1.00 52.13 H new ATOM 0 HB3 GLU A 116 16.398 -13.639 -6.836 1.00 52.13 H new ATOM 0 HG2 GLU A 116 14.653 -11.168 -6.561 1.00 14.13 H new ATOM 0 HG3 GLU A 116 15.061 -11.980 -8.060 1.00 14.13 H new TER 1869 GLU A 116