USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 819 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 85 SER OG : rot 180:sc= 0.0366 USER MOD Set 1.2: A 86 CYS SG : rot 180:sc= -0.257 USER MOD Set 2.1: A 27 ASN : amide:sc= 0.979 K(o=3.9,f=4.6) USER MOD Set 2.2: A 28 CYS SG : rot 131:sc= 0.0818 USER MOD Set 2.3: A 29 THR OG1 : rot -99:sc= 1.98 USER MOD Set 2.4: A 83 THR OG1 : rot 180:sc= 0.881 USER MOD Set 3.1: A 50 LYS NZ :NH3+ 171:sc=-0.00759 (180deg=-0.187) USER MOD Set 3.2: A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 156:sc= 1.35 (180deg=0.731) USER MOD Single : A 3 MET CE :methyl 161:sc= -0.0667 (180deg=-0.555) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 44:sc= 0.314 USER MOD Single : A 12 THR OG1 : rot -7:sc= 0.735 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -176:sc= 0.132 (180deg=0.122) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -1.52! USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -117:sc= -1.62 (180deg=-5.02!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -148:sc= 0.961 USER MOD Single : A 58 SER OG : rot 97:sc= 1.24 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 175:sc= 1.07 (180deg=0.998) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 87 GLN : amide:sc= -0.428 X(o=-0.43,f=0.019) USER MOD Single : A 90 MET CE :methyl -137:sc= -1.23 (180deg=-2.28!) USER MOD Single : A 96 SER OG : rot 83:sc= 0.0927 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= -0.408 X(o=-0.41,f=-0.083) USER MOD Single : A 105 HIS : no HD1:sc= -1.65 K(o=-1.7,f=-0.23) USER MOD Single : A 106 HIS : no HE2:sc= -0.328 K(o=-0.33,f=-1.1) USER MOD Single : A 107 HIS : no HD1:sc= -0.0307 X(o=-0.031,f=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.0108 X(o=-0.011,f=0) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 49.635 -8.867 30.991 1.00 42.32 N ATOM 2 CA MET A 1 48.259 -9.014 30.466 1.00 42.55 C ATOM 3 C MET A 1 48.170 -8.452 29.060 1.00 34.11 C ATOM 4 O MET A 1 48.809 -7.450 28.742 1.00 32.03 O ATOM 5 CB MET A 1 47.247 -8.314 31.381 1.00 54.42 C ATOM 6 CG MET A 1 47.051 -9.004 32.724 1.00 42.53 C ATOM 7 SD MET A 1 48.543 -9.020 33.740 1.00 73.03 S ATOM 8 CE MET A 1 47.982 -9.988 35.137 1.00 63.23 C ATOM 0 H1 MET A 1 49.611 -8.862 32.031 1.00 42.32 H new ATOM 0 H2 MET A 1 50.219 -9.662 30.662 1.00 42.32 H new ATOM 0 H3 MET A 1 50.043 -7.974 30.650 1.00 42.32 H new ATOM 0 HA MET A 1 48.017 -10.076 30.438 1.00 42.55 H new ATOM 0 HB2 MET A 1 47.576 -7.289 31.554 1.00 54.42 H new ATOM 0 HB3 MET A 1 46.287 -8.258 30.869 1.00 54.42 H new ATOM 0 HG2 MET A 1 46.253 -8.502 33.270 1.00 42.53 H new ATOM 0 HG3 MET A 1 46.724 -10.030 32.554 1.00 42.53 H new ATOM 0 HE1 MET A 1 48.793 -10.089 35.858 1.00 63.23 H new ATOM 0 HE2 MET A 1 47.136 -9.489 35.609 1.00 63.23 H new ATOM 0 HE3 MET A 1 47.675 -10.976 34.795 1.00 63.23 H new ATOM 20 N ALA A 2 47.381 -9.099 28.221 1.00 63.24 N ATOM 21 CA ALA A 2 47.245 -8.687 26.838 1.00 40.44 C ATOM 22 C ALA A 2 45.814 -8.278 26.534 1.00 31.32 C ATOM 23 O ALA A 2 44.917 -9.119 26.469 1.00 20.14 O ATOM 24 CB ALA A 2 47.693 -9.798 25.904 1.00 71.41 C ATOM 0 H ALA A 2 46.824 -9.914 28.476 1.00 63.24 H new ATOM 0 HA ALA A 2 47.887 -7.821 26.677 1.00 40.44 H new ATOM 0 HB1 ALA A 2 47.584 -9.470 24.870 1.00 71.41 H new ATOM 0 HB2 ALA A 2 48.738 -10.039 26.100 1.00 71.41 H new ATOM 0 HB3 ALA A 2 47.079 -10.683 26.071 1.00 71.41 H new ATOM 30 N MET A 3 45.604 -6.984 26.364 1.00 23.14 N ATOM 31 CA MET A 3 44.287 -6.455 26.043 1.00 34.41 C ATOM 32 C MET A 3 44.336 -5.757 24.696 1.00 34.44 C ATOM 33 O MET A 3 44.430 -4.533 24.618 1.00 44.42 O ATOM 34 CB MET A 3 43.804 -5.482 27.122 1.00 74.34 C ATOM 35 CG MET A 3 43.662 -6.114 28.495 1.00 30.51 C ATOM 36 SD MET A 3 43.129 -4.935 29.753 1.00 32.10 S ATOM 37 CE MET A 3 41.504 -4.491 29.136 1.00 32.11 C ATOM 0 H MET A 3 46.333 -6.275 26.443 1.00 23.14 H new ATOM 0 HA MET A 3 43.582 -7.285 26.000 1.00 34.41 H new ATOM 0 HB2 MET A 3 44.503 -4.648 27.186 1.00 74.34 H new ATOM 0 HB3 MET A 3 42.842 -5.068 26.821 1.00 74.34 H new ATOM 0 HG2 MET A 3 42.943 -6.932 28.441 1.00 30.51 H new ATOM 0 HG3 MET A 3 44.617 -6.548 28.791 1.00 30.51 H new ATOM 0 HE1 MET A 3 40.917 -4.051 29.942 1.00 32.11 H new ATOM 0 HE2 MET A 3 41.607 -3.769 28.326 1.00 32.11 H new ATOM 0 HE3 MET A 3 40.999 -5.383 28.765 1.00 32.11 H new ATOM 47 N LYS A 4 44.310 -6.549 23.638 1.00 14.21 N ATOM 48 CA LYS A 4 44.444 -6.024 22.292 1.00 63.01 C ATOM 49 C LYS A 4 43.243 -6.404 21.442 1.00 35.44 C ATOM 50 O LYS A 4 43.140 -7.532 20.960 1.00 31.32 O ATOM 51 CB LYS A 4 45.729 -6.543 21.648 1.00 63.20 C ATOM 52 CG LYS A 4 46.982 -6.149 22.410 1.00 31.12 C ATOM 53 CD LYS A 4 48.224 -6.787 21.814 1.00 2.11 C ATOM 54 CE LYS A 4 49.469 -6.378 22.578 1.00 11.54 C ATOM 55 NZ LYS A 4 50.684 -7.059 22.061 1.00 10.34 N ATOM 0 H LYS A 4 44.197 -7.562 23.687 1.00 14.21 H new ATOM 0 HA LYS A 4 44.492 -4.937 22.353 1.00 63.01 H new ATOM 0 HB2 LYS A 4 45.680 -7.630 21.579 1.00 63.20 H new ATOM 0 HB3 LYS A 4 45.796 -6.162 20.629 1.00 63.20 H new ATOM 0 HG2 LYS A 4 47.089 -5.064 22.399 1.00 31.12 H new ATOM 0 HG3 LYS A 4 46.883 -6.449 23.453 1.00 31.12 H new ATOM 0 HD2 LYS A 4 48.123 -7.872 21.831 1.00 2.11 H new ATOM 0 HD3 LYS A 4 48.322 -6.493 20.769 1.00 2.11 H new ATOM 0 HE2 LYS A 4 49.600 -5.298 22.507 1.00 11.54 H new ATOM 0 HE3 LYS A 4 49.341 -6.615 23.634 1.00 11.54 H new ATOM 0 HZ1 LYS A 4 51.513 -6.753 22.609 1.00 10.34 H new ATOM 0 HZ2 LYS A 4 50.570 -8.089 22.152 1.00 10.34 H new ATOM 0 HZ3 LYS A 4 50.821 -6.813 21.060 1.00 10.34 H new ATOM 69 N ASP A 5 42.325 -5.468 21.284 1.00 21.31 N ATOM 70 CA ASP A 5 41.154 -5.682 20.450 1.00 4.34 C ATOM 71 C ASP A 5 41.192 -4.741 19.254 1.00 3.00 C ATOM 72 O ASP A 5 40.921 -3.544 19.376 1.00 61.10 O ATOM 73 CB ASP A 5 39.870 -5.473 21.256 1.00 73.14 C ATOM 74 CG ASP A 5 38.626 -5.854 20.476 1.00 71.15 C ATOM 75 OD1 ASP A 5 38.400 -7.065 20.266 1.00 4.23 O ATOM 76 OD2 ASP A 5 37.861 -4.946 20.082 1.00 24.10 O ATOM 0 H ASP A 5 42.367 -4.549 21.724 1.00 21.31 H new ATOM 0 HA ASP A 5 41.164 -6.711 20.091 1.00 4.34 H new ATOM 0 HB2 ASP A 5 39.918 -6.066 22.170 1.00 73.14 H new ATOM 0 HB3 ASP A 5 39.800 -4.428 21.557 1.00 73.14 H new ATOM 81 N VAL A 6 41.575 -5.280 18.109 1.00 71.44 N ATOM 82 CA VAL A 6 41.683 -4.497 16.887 1.00 12.31 C ATOM 83 C VAL A 6 40.693 -5.005 15.847 1.00 61.44 C ATOM 84 O VAL A 6 40.679 -6.194 15.524 1.00 64.14 O ATOM 85 CB VAL A 6 43.115 -4.559 16.305 1.00 74.35 C ATOM 86 CG1 VAL A 6 43.238 -3.685 15.065 1.00 70.11 C ATOM 87 CG2 VAL A 6 44.143 -4.150 17.351 1.00 54.10 C ATOM 0 H VAL A 6 41.818 -6.264 17.999 1.00 71.44 H new ATOM 0 HA VAL A 6 41.454 -3.461 17.136 1.00 12.31 H new ATOM 0 HB VAL A 6 43.313 -5.591 16.015 1.00 74.35 H new ATOM 0 HG11 VAL A 6 44.254 -3.747 14.676 1.00 70.11 H new ATOM 0 HG12 VAL A 6 42.537 -4.031 14.305 1.00 70.11 H new ATOM 0 HG13 VAL A 6 43.011 -2.651 15.325 1.00 70.11 H new ATOM 0 HG21 VAL A 6 45.142 -4.201 16.919 1.00 54.10 H new ATOM 0 HG22 VAL A 6 43.942 -3.130 17.680 1.00 54.10 H new ATOM 0 HG23 VAL A 6 44.082 -4.825 18.205 1.00 54.10 H new ATOM 97 N VAL A 7 39.868 -4.106 15.331 1.00 2.45 N ATOM 98 CA VAL A 7 38.852 -4.469 14.353 1.00 64.01 C ATOM 99 C VAL A 7 38.663 -3.332 13.353 1.00 4.50 C ATOM 100 O VAL A 7 38.786 -2.162 13.711 1.00 2.20 O ATOM 101 CB VAL A 7 37.506 -4.802 15.040 1.00 32.05 C ATOM 102 CG1 VAL A 7 36.888 -3.566 15.678 1.00 14.33 C ATOM 103 CG2 VAL A 7 36.540 -5.445 14.059 1.00 72.31 C ATOM 0 H VAL A 7 39.882 -3.116 15.574 1.00 2.45 H new ATOM 0 HA VAL A 7 39.191 -5.361 13.826 1.00 64.01 H new ATOM 0 HB VAL A 7 37.710 -5.519 15.835 1.00 32.05 H new ATOM 0 HG11 VAL A 7 35.944 -3.835 16.152 1.00 14.33 H new ATOM 0 HG12 VAL A 7 37.569 -3.165 16.428 1.00 14.33 H new ATOM 0 HG13 VAL A 7 36.708 -2.812 14.911 1.00 14.33 H new ATOM 0 HG21 VAL A 7 35.602 -5.669 14.566 1.00 72.31 H new ATOM 0 HG22 VAL A 7 36.351 -4.760 13.233 1.00 72.31 H new ATOM 0 HG23 VAL A 7 36.974 -6.368 13.673 1.00 72.31 H new ATOM 113 N ASP A 8 38.376 -3.670 12.105 1.00 61.14 N ATOM 114 CA ASP A 8 38.228 -2.661 11.066 1.00 34.11 C ATOM 115 C ASP A 8 37.080 -3.014 10.132 1.00 63.42 C ATOM 116 O ASP A 8 37.114 -4.043 9.456 1.00 43.41 O ATOM 117 CB ASP A 8 39.527 -2.532 10.272 1.00 1.43 C ATOM 118 CG ASP A 8 39.460 -1.463 9.199 1.00 72.24 C ATOM 119 OD1 ASP A 8 39.668 -0.276 9.524 1.00 14.44 O ATOM 120 OD2 ASP A 8 39.212 -1.806 8.024 1.00 21.13 O ATOM 0 H ASP A 8 38.241 -4.630 11.788 1.00 61.14 H new ATOM 0 HA ASP A 8 38.004 -1.707 11.543 1.00 34.11 H new ATOM 0 HB2 ASP A 8 40.344 -2.302 10.956 1.00 1.43 H new ATOM 0 HB3 ASP A 8 39.760 -3.491 9.808 1.00 1.43 H new ATOM 125 N LYS A 9 36.063 -2.166 10.108 1.00 1.23 N ATOM 126 CA LYS A 9 34.907 -2.385 9.256 1.00 41.34 C ATOM 127 C LYS A 9 34.365 -1.055 8.749 1.00 63.34 C ATOM 128 O LYS A 9 33.965 -0.206 9.540 1.00 4.53 O ATOM 129 CB LYS A 9 33.818 -3.137 10.026 1.00 3.42 C ATOM 130 CG LYS A 9 32.616 -3.508 9.173 1.00 72.52 C ATOM 131 CD LYS A 9 31.547 -4.209 9.996 1.00 64.31 C ATOM 132 CE LYS A 9 30.398 -4.692 9.123 1.00 33.14 C ATOM 133 NZ LYS A 9 29.339 -5.368 9.918 1.00 21.32 N ATOM 0 H LYS A 9 36.016 -1.317 10.672 1.00 1.23 H new ATOM 0 HA LYS A 9 35.214 -2.987 8.401 1.00 41.34 H new ATOM 0 HB2 LYS A 9 34.246 -4.045 10.450 1.00 3.42 H new ATOM 0 HB3 LYS A 9 33.484 -2.521 10.861 1.00 3.42 H new ATOM 0 HG2 LYS A 9 32.198 -2.609 8.720 1.00 72.52 H new ATOM 0 HG3 LYS A 9 32.933 -4.157 8.357 1.00 72.52 H new ATOM 0 HD2 LYS A 9 31.988 -5.057 10.521 1.00 64.31 H new ATOM 0 HD3 LYS A 9 31.166 -3.527 10.756 1.00 64.31 H new ATOM 0 HE2 LYS A 9 29.966 -3.844 8.591 1.00 33.14 H new ATOM 0 HE3 LYS A 9 30.780 -5.380 8.369 1.00 33.14 H new ATOM 0 HZ1 LYS A 9 28.576 -5.681 9.285 1.00 21.32 H new ATOM 0 HZ2 LYS A 9 29.744 -6.192 10.406 1.00 21.32 H new ATOM 0 HZ3 LYS A 9 28.955 -4.704 10.621 1.00 21.32 H new ATOM 147 N CYS A 10 34.378 -0.866 7.437 1.00 52.24 N ATOM 148 CA CYS A 10 33.836 0.346 6.844 1.00 51.35 C ATOM 149 C CYS A 10 33.270 0.056 5.459 1.00 10.32 C ATOM 150 O CYS A 10 34.006 0.031 4.471 1.00 61.15 O ATOM 151 CB CYS A 10 34.914 1.432 6.762 1.00 33.10 C ATOM 152 SG CYS A 10 34.315 3.034 6.174 1.00 10.10 S ATOM 0 H CYS A 10 34.757 -1.534 6.766 1.00 52.24 H new ATOM 0 HA CYS A 10 33.028 0.707 7.480 1.00 51.35 H new ATOM 0 HB2 CYS A 10 35.357 1.563 7.749 1.00 33.10 H new ATOM 0 HB3 CYS A 10 35.709 1.089 6.099 1.00 33.10 H new ATOM 0 HG CYS A 10 35.301 3.881 6.143 1.00 10.10 H new ATOM 158 N SER A 11 31.969 -0.206 5.405 1.00 51.10 N ATOM 159 CA SER A 11 31.277 -0.462 4.147 1.00 33.11 C ATOM 160 C SER A 11 29.763 -0.534 4.369 1.00 45.54 C ATOM 161 O SER A 11 29.244 -1.543 4.851 1.00 70.43 O ATOM 162 CB SER A 11 31.791 -1.760 3.509 1.00 12.44 C ATOM 163 OG SER A 11 31.755 -2.836 4.437 1.00 24.14 O ATOM 0 H SER A 11 31.367 -0.247 6.227 1.00 51.10 H new ATOM 0 HA SER A 11 31.483 0.364 3.466 1.00 33.11 H new ATOM 0 HB2 SER A 11 31.183 -2.006 2.638 1.00 12.44 H new ATOM 0 HB3 SER A 11 32.812 -1.615 3.155 1.00 12.44 H new ATOM 0 HG SER A 11 30.908 -2.815 4.929 1.00 24.14 H new ATOM 169 N THR A 12 29.064 0.549 4.046 1.00 22.04 N ATOM 170 CA THR A 12 27.613 0.612 4.200 1.00 30.11 C ATOM 171 C THR A 12 27.023 1.691 3.294 1.00 73.22 C ATOM 172 O THR A 12 27.297 2.881 3.473 1.00 24.24 O ATOM 173 CB THR A 12 27.206 0.905 5.664 1.00 2.33 C ATOM 174 OG1 THR A 12 27.696 -0.127 6.533 1.00 53.22 O ATOM 175 CG2 THR A 12 25.692 1.009 5.802 1.00 2.43 C ATOM 0 H THR A 12 29.482 1.402 3.673 1.00 22.04 H new ATOM 0 HA THR A 12 27.219 -0.364 3.917 1.00 30.11 H new ATOM 0 HB THR A 12 27.648 1.860 5.948 1.00 2.33 H new ATOM 0 HG1 THR A 12 28.082 -0.851 5.996 1.00 53.22 H new ATOM 0 HG21 THR A 12 25.435 1.215 6.841 1.00 2.43 H new ATOM 0 HG22 THR A 12 25.324 1.817 5.170 1.00 2.43 H new ATOM 0 HG23 THR A 12 25.233 0.069 5.494 1.00 2.43 H new ATOM 183 N LYS A 13 26.223 1.268 2.321 1.00 4.44 N ATOM 184 CA LYS A 13 25.581 2.186 1.385 1.00 11.32 C ATOM 185 C LYS A 13 24.482 1.469 0.606 1.00 65.44 C ATOM 186 O LYS A 13 24.574 0.267 0.356 1.00 40.13 O ATOM 187 CB LYS A 13 26.607 2.770 0.409 1.00 21.30 C ATOM 188 CG LYS A 13 27.271 1.725 -0.472 1.00 11.53 C ATOM 189 CD LYS A 13 28.195 2.356 -1.496 1.00 61.32 C ATOM 190 CE LYS A 13 28.741 1.318 -2.460 1.00 0.41 C ATOM 191 NZ LYS A 13 29.575 1.934 -3.525 1.00 41.22 N ATOM 0 H LYS A 13 26.002 0.286 2.159 1.00 4.44 H new ATOM 0 HA LYS A 13 25.139 3.000 1.960 1.00 11.32 H new ATOM 0 HB2 LYS A 13 26.115 3.508 -0.225 1.00 21.30 H new ATOM 0 HB3 LYS A 13 27.375 3.298 0.975 1.00 21.30 H new ATOM 0 HG2 LYS A 13 27.837 1.032 0.150 1.00 11.53 H new ATOM 0 HG3 LYS A 13 26.506 1.142 -0.984 1.00 11.53 H new ATOM 0 HD2 LYS A 13 27.656 3.123 -2.052 1.00 61.32 H new ATOM 0 HD3 LYS A 13 29.021 2.852 -0.987 1.00 61.32 H new ATOM 0 HE2 LYS A 13 29.336 0.589 -1.910 1.00 0.41 H new ATOM 0 HE3 LYS A 13 27.913 0.775 -2.916 1.00 0.41 H new ATOM 0 HZ1 LYS A 13 29.928 1.192 -4.162 1.00 41.22 H new ATOM 0 HZ2 LYS A 13 29.001 2.611 -4.067 1.00 41.22 H new ATOM 0 HZ3 LYS A 13 30.380 2.431 -3.092 1.00 41.22 H new ATOM 205 N GLY A 14 23.447 2.205 0.226 1.00 51.40 N ATOM 206 CA GLY A 14 22.374 1.618 -0.553 1.00 3.24 C ATOM 207 C GLY A 14 21.058 1.589 0.198 1.00 53.42 C ATOM 208 O GLY A 14 20.366 0.569 0.214 1.00 50.34 O ATOM 0 H GLY A 14 23.331 3.195 0.442 1.00 51.40 H new ATOM 0 HA2 GLY A 14 22.249 2.183 -1.476 1.00 3.24 H new ATOM 0 HA3 GLY A 14 22.649 0.602 -0.836 1.00 3.24 H new ATOM 212 N CYS A 15 20.708 2.702 0.825 1.00 63.35 N ATOM 213 CA CYS A 15 19.453 2.801 1.553 1.00 43.43 C ATOM 214 C CYS A 15 18.648 3.995 1.051 1.00 73.24 C ATOM 215 O CYS A 15 18.893 5.138 1.447 1.00 72.54 O ATOM 216 CB CYS A 15 19.707 2.917 3.059 1.00 42.35 C ATOM 217 SG CYS A 15 18.209 2.820 4.067 1.00 3.24 S ATOM 0 H CYS A 15 21.276 3.549 0.844 1.00 63.35 H new ATOM 0 HA CYS A 15 18.877 1.892 1.377 1.00 43.43 H new ATOM 0 HB2 CYS A 15 20.390 2.124 3.364 1.00 42.35 H new ATOM 0 HB3 CYS A 15 20.208 3.864 3.261 1.00 42.35 H new ATOM 0 HG CYS A 15 18.524 2.926 5.324 1.00 3.24 H new ATOM 223 N ALA A 16 17.712 3.723 0.149 1.00 11.13 N ATOM 224 CA ALA A 16 16.869 4.765 -0.428 1.00 33.13 C ATOM 225 C ALA A 16 15.450 4.251 -0.653 1.00 75.42 C ATOM 226 O ALA A 16 14.721 4.752 -1.508 1.00 14.12 O ATOM 227 CB ALA A 16 17.469 5.254 -1.736 1.00 41.30 C ATOM 0 H ALA A 16 17.517 2.785 -0.200 1.00 11.13 H new ATOM 0 HA ALA A 16 16.820 5.599 0.272 1.00 33.13 H new ATOM 0 HB1 ALA A 16 16.833 6.032 -2.160 1.00 41.30 H new ATOM 0 HB2 ALA A 16 18.464 5.659 -1.551 1.00 41.30 H new ATOM 0 HB3 ALA A 16 17.541 4.422 -2.437 1.00 41.30 H new ATOM 233 N ILE A 17 15.061 3.255 0.127 1.00 10.42 N ATOM 234 CA ILE A 17 13.724 2.677 0.014 1.00 62.30 C ATOM 235 C ILE A 17 12.820 3.144 1.146 1.00 2.20 C ATOM 236 O ILE A 17 11.701 2.658 1.306 1.00 23.21 O ATOM 237 CB ILE A 17 13.764 1.130 -0.017 1.00 63.40 C ATOM 238 CG1 ILE A 17 14.747 0.563 1.019 1.00 61.12 C ATOM 239 CG2 ILE A 17 14.121 0.637 -1.411 1.00 20.30 C ATOM 240 CD1 ILE A 17 14.246 0.599 2.450 1.00 11.34 C ATOM 0 H ILE A 17 15.647 2.828 0.844 1.00 10.42 H new ATOM 0 HA ILE A 17 13.314 3.028 -0.933 1.00 62.30 H new ATOM 0 HB ILE A 17 12.769 0.771 0.244 1.00 63.40 H new ATOM 0 HG12 ILE A 17 14.978 -0.469 0.755 1.00 61.12 H new ATOM 0 HG13 ILE A 17 15.680 1.124 0.960 1.00 61.12 H new ATOM 0 HG21 ILE A 17 14.145 -0.453 -1.416 1.00 20.30 H new ATOM 0 HG22 ILE A 17 13.374 0.987 -2.123 1.00 20.30 H new ATOM 0 HG23 ILE A 17 15.100 1.023 -1.694 1.00 20.30 H new ATOM 0 HD11 ILE A 17 15.004 0.180 3.112 1.00 11.34 H new ATOM 0 HD12 ILE A 17 14.043 1.630 2.739 1.00 11.34 H new ATOM 0 HD13 ILE A 17 13.330 0.013 2.530 1.00 11.34 H new ATOM 252 N ASP A 18 13.308 4.097 1.919 1.00 14.11 N ATOM 253 CA ASP A 18 12.565 4.602 3.066 1.00 51.31 C ATOM 254 C ASP A 18 11.650 5.741 2.654 1.00 41.23 C ATOM 255 O ASP A 18 12.109 6.787 2.197 1.00 51.22 O ATOM 256 CB ASP A 18 13.516 5.079 4.167 1.00 65.11 C ATOM 257 CG ASP A 18 12.776 5.645 5.364 1.00 64.45 C ATOM 258 OD1 ASP A 18 12.171 4.857 6.122 1.00 12.01 O ATOM 259 OD2 ASP A 18 12.798 6.878 5.561 1.00 43.14 O ATOM 0 H ASP A 18 14.216 4.539 1.776 1.00 14.11 H new ATOM 0 HA ASP A 18 11.960 3.783 3.455 1.00 51.31 H new ATOM 0 HB2 ASP A 18 14.141 4.246 4.490 1.00 65.11 H new ATOM 0 HB3 ASP A 18 14.183 5.840 3.763 1.00 65.11 H new ATOM 264 N ILE A 19 10.355 5.518 2.803 1.00 74.43 N ATOM 265 CA ILE A 19 9.364 6.544 2.519 1.00 22.04 C ATOM 266 C ILE A 19 9.098 7.362 3.783 1.00 14.42 C ATOM 267 O ILE A 19 8.708 8.531 3.723 1.00 51.24 O ATOM 268 CB ILE A 19 8.039 5.924 2.005 1.00 53.41 C ATOM 269 CG1 ILE A 19 8.289 5.054 0.765 1.00 30.22 C ATOM 270 CG2 ILE A 19 7.016 7.008 1.689 1.00 0.34 C ATOM 271 CD1 ILE A 19 8.980 5.782 -0.368 1.00 63.03 C ATOM 0 H ILE A 19 9.963 4.631 3.121 1.00 74.43 H new ATOM 0 HA ILE A 19 9.758 7.191 1.735 1.00 22.04 H new ATOM 0 HB ILE A 19 7.638 5.292 2.798 1.00 53.41 H new ATOM 0 HG12 ILE A 19 8.894 4.194 1.053 1.00 30.22 H new ATOM 0 HG13 ILE A 19 7.335 4.667 0.407 1.00 30.22 H new ATOM 0 HG21 ILE A 19 6.096 6.547 1.330 1.00 0.34 H new ATOM 0 HG22 ILE A 19 6.806 7.584 2.590 1.00 0.34 H new ATOM 0 HG23 ILE A 19 7.413 7.670 0.920 1.00 0.34 H new ATOM 0 HD11 ILE A 19 9.121 5.100 -1.207 1.00 63.03 H new ATOM 0 HD12 ILE A 19 8.367 6.626 -0.685 1.00 63.03 H new ATOM 0 HD13 ILE A 19 9.950 6.145 -0.029 1.00 63.03 H new ATOM 283 N GLY A 20 9.330 6.737 4.929 1.00 50.35 N ATOM 284 CA GLY A 20 9.104 7.395 6.195 1.00 44.31 C ATOM 285 C GLY A 20 7.654 7.320 6.607 1.00 21.34 C ATOM 286 O GLY A 20 7.065 8.317 7.025 1.00 13.12 O ATOM 0 H GLY A 20 9.673 5.779 5.002 1.00 50.35 H new ATOM 0 HA2 GLY A 20 9.726 6.933 6.962 1.00 44.31 H new ATOM 0 HA3 GLY A 20 9.409 8.439 6.123 1.00 44.31 H new ATOM 290 N THR A 21 7.071 6.141 6.470 1.00 44.15 N ATOM 291 CA THR A 21 5.675 5.935 6.812 1.00 53.22 C ATOM 292 C THR A 21 5.486 4.597 7.524 1.00 4.50 C ATOM 293 O THR A 21 5.837 3.545 6.987 1.00 41.33 O ATOM 294 CB THR A 21 4.783 5.978 5.553 1.00 14.42 C ATOM 295 OG1 THR A 21 5.074 7.158 4.792 1.00 44.45 O ATOM 296 CG2 THR A 21 3.310 5.972 5.934 1.00 50.42 C ATOM 0 H THR A 21 7.546 5.308 6.122 1.00 44.15 H new ATOM 0 HA THR A 21 5.378 6.743 7.481 1.00 53.22 H new ATOM 0 HB THR A 21 4.993 5.092 4.954 1.00 14.42 H new ATOM 0 HG1 THR A 21 4.507 7.180 3.993 1.00 44.45 H new ATOM 0 HG21 THR A 21 2.700 6.003 5.031 1.00 50.42 H new ATOM 0 HG22 THR A 21 3.083 5.065 6.494 1.00 50.42 H new ATOM 0 HG23 THR A 21 3.090 6.844 6.550 1.00 50.42 H new ATOM 304 N VAL A 22 4.954 4.649 8.738 1.00 14.44 N ATOM 305 CA VAL A 22 4.678 3.449 9.511 1.00 15.11 C ATOM 306 C VAL A 22 3.535 3.713 10.487 1.00 31.41 C ATOM 307 O VAL A 22 3.461 4.783 11.092 1.00 5.35 O ATOM 308 CB VAL A 22 5.937 2.956 10.271 1.00 4.14 C ATOM 309 CG1 VAL A 22 6.459 4.020 11.226 1.00 21.43 C ATOM 310 CG2 VAL A 22 5.652 1.657 11.012 1.00 31.23 C ATOM 0 H VAL A 22 4.704 5.518 9.210 1.00 14.44 H new ATOM 0 HA VAL A 22 4.385 2.660 8.818 1.00 15.11 H new ATOM 0 HB VAL A 22 6.714 2.762 9.532 1.00 4.14 H new ATOM 0 HG11 VAL A 22 7.342 3.643 11.743 1.00 21.43 H new ATOM 0 HG12 VAL A 22 6.723 4.916 10.664 1.00 21.43 H new ATOM 0 HG13 VAL A 22 5.687 4.264 11.956 1.00 21.43 H new ATOM 0 HG21 VAL A 22 6.551 1.333 11.537 1.00 31.23 H new ATOM 0 HG22 VAL A 22 4.849 1.817 11.732 1.00 31.23 H new ATOM 0 HG23 VAL A 22 5.351 0.890 10.299 1.00 31.23 H new ATOM 320 N ILE A 23 2.625 2.755 10.609 1.00 42.24 N ATOM 321 CA ILE A 23 1.477 2.916 11.486 1.00 14.13 C ATOM 322 C ILE A 23 1.771 2.292 12.850 1.00 22.40 C ATOM 323 O ILE A 23 2.432 2.904 13.688 1.00 5.34 O ATOM 324 CB ILE A 23 0.183 2.294 10.895 1.00 43.01 C ATOM 325 CG1 ILE A 23 -0.035 2.720 9.436 1.00 22.10 C ATOM 326 CG2 ILE A 23 -1.025 2.684 11.735 1.00 44.03 C ATOM 327 CD1 ILE A 23 0.745 1.896 8.430 1.00 13.33 C ATOM 0 H ILE A 23 2.661 1.864 10.114 1.00 42.24 H new ATOM 0 HA ILE A 23 1.304 3.987 11.593 1.00 14.13 H new ATOM 0 HB ILE A 23 0.301 1.211 10.916 1.00 43.01 H new ATOM 0 HG12 ILE A 23 -1.097 2.649 9.202 1.00 22.10 H new ATOM 0 HG13 ILE A 23 0.246 3.768 9.328 1.00 22.10 H new ATOM 0 HG21 ILE A 23 -1.924 2.240 11.307 1.00 44.03 H new ATOM 0 HG22 ILE A 23 -0.891 2.322 12.755 1.00 44.03 H new ATOM 0 HG23 ILE A 23 -1.126 3.769 11.745 1.00 44.03 H new ATOM 0 HD11 ILE A 23 0.537 2.259 7.423 1.00 13.33 H new ATOM 0 HD12 ILE A 23 1.812 1.986 8.635 1.00 13.33 H new ATOM 0 HD13 ILE A 23 0.447 0.850 8.507 1.00 13.33 H new ATOM 339 N ASP A 24 1.300 1.069 13.054 1.00 4.31 N ATOM 340 CA ASP A 24 1.542 0.332 14.291 1.00 10.55 C ATOM 341 C ASP A 24 1.552 -1.160 14.000 1.00 31.50 C ATOM 342 O ASP A 24 2.554 -1.707 13.548 1.00 12.13 O ATOM 343 CB ASP A 24 0.476 0.645 15.357 1.00 2.25 C ATOM 344 CG ASP A 24 0.587 2.043 15.939 1.00 34.20 C ATOM 345 OD1 ASP A 24 1.376 2.243 16.886 1.00 22.53 O ATOM 346 OD2 ASP A 24 -0.131 2.946 15.465 1.00 53.41 O ATOM 0 H ASP A 24 0.741 0.559 12.370 1.00 4.31 H new ATOM 0 HA ASP A 24 2.510 0.643 14.685 1.00 10.55 H new ATOM 0 HB2 ASP A 24 -0.513 0.522 14.916 1.00 2.25 H new ATOM 0 HB3 ASP A 24 0.558 -0.083 16.164 1.00 2.25 H new ATOM 351 N ASN A 25 0.415 -1.806 14.221 1.00 31.12 N ATOM 352 CA ASN A 25 0.276 -3.228 13.954 1.00 20.11 C ATOM 353 C ASN A 25 -1.089 -3.532 13.365 1.00 12.12 C ATOM 354 O ASN A 25 -2.115 -3.096 13.888 1.00 1.51 O ATOM 355 CB ASN A 25 0.479 -4.054 15.229 1.00 15.35 C ATOM 356 CG ASN A 25 1.928 -4.101 15.666 1.00 62.32 C ATOM 357 OD1 ASN A 25 2.386 -3.261 16.441 1.00 43.52 O ATOM 358 ND2 ASN A 25 2.659 -5.082 15.168 1.00 35.42 N ATOM 0 H ASN A 25 -0.428 -1.363 14.587 1.00 31.12 H new ATOM 0 HA ASN A 25 1.047 -3.502 13.234 1.00 20.11 H new ATOM 0 HB2 ASN A 25 -0.125 -3.631 16.032 1.00 15.35 H new ATOM 0 HB3 ASN A 25 0.121 -5.070 15.061 1.00 15.35 H new ATOM 0 HD21 ASN A 25 3.643 -5.165 15.423 1.00 35.42 H new ATOM 0 HD22 ASN A 25 2.239 -5.757 14.529 1.00 35.42 H new ATOM 365 N ASP A 26 -1.089 -4.255 12.258 1.00 13.34 N ATOM 366 CA ASP A 26 -2.310 -4.739 11.641 1.00 10.30 C ATOM 367 C ASP A 26 -2.274 -6.262 11.698 1.00 31.24 C ATOM 368 O ASP A 26 -1.487 -6.833 12.454 1.00 64.01 O ATOM 369 CB ASP A 26 -2.396 -4.241 10.185 1.00 4.14 C ATOM 370 CG ASP A 26 -3.766 -4.443 9.553 1.00 73.41 C ATOM 371 OD1 ASP A 26 -4.642 -3.575 9.742 1.00 42.31 O ATOM 372 OD2 ASP A 26 -3.969 -5.473 8.871 1.00 63.34 O ATOM 0 H ASP A 26 -0.239 -4.523 11.761 1.00 13.34 H new ATOM 0 HA ASP A 26 -3.190 -4.367 12.165 1.00 10.30 H new ATOM 0 HB2 ASP A 26 -2.145 -3.181 10.157 1.00 4.14 H new ATOM 0 HB3 ASP A 26 -1.648 -4.762 9.587 1.00 4.14 H new ATOM 377 N ASN A 27 -3.099 -6.917 10.917 1.00 31.35 N ATOM 378 CA ASN A 27 -3.051 -8.365 10.824 1.00 4.24 C ATOM 379 C ASN A 27 -2.220 -8.758 9.611 1.00 43.14 C ATOM 380 O ASN A 27 -1.293 -9.563 9.722 1.00 73.32 O ATOM 381 CB ASN A 27 -4.465 -8.975 10.767 1.00 1.40 C ATOM 382 CG ASN A 27 -5.294 -8.504 9.586 1.00 44.52 C ATOM 383 OD1 ASN A 27 -5.971 -7.480 9.659 1.00 62.31 O ATOM 384 ND2 ASN A 27 -5.265 -9.257 8.497 1.00 32.41 N ATOM 0 H ASN A 27 -3.812 -6.476 10.336 1.00 31.35 H new ATOM 0 HA ASN A 27 -2.579 -8.765 11.721 1.00 4.24 H new ATOM 0 HB2 ASN A 27 -4.380 -10.061 10.728 1.00 1.40 H new ATOM 0 HB3 ASN A 27 -4.993 -8.730 11.689 1.00 1.40 H new ATOM 0 HD21 ASN A 27 -5.817 -8.994 7.680 1.00 32.41 H new ATOM 0 HD22 ASN A 27 -4.691 -10.100 8.475 1.00 32.41 H new ATOM 391 N CYS A 28 -2.539 -8.130 8.481 1.00 63.33 N ATOM 392 CA CYS A 28 -1.846 -8.332 7.204 1.00 23.21 C ATOM 393 C CYS A 28 -2.701 -7.798 6.057 1.00 35.33 C ATOM 394 O CYS A 28 -2.451 -8.097 4.888 1.00 11.11 O ATOM 395 CB CYS A 28 -1.535 -9.815 6.957 1.00 34.01 C ATOM 396 SG CYS A 28 -2.966 -10.909 7.063 1.00 41.21 S ATOM 0 H CYS A 28 -3.300 -7.453 8.423 1.00 63.33 H new ATOM 0 HA CYS A 28 -0.903 -7.788 7.251 1.00 23.21 H new ATOM 0 HB2 CYS A 28 -1.087 -9.919 5.969 1.00 34.01 H new ATOM 0 HB3 CYS A 28 -0.789 -10.142 7.682 1.00 34.01 H new ATOM 0 HG CYS A 28 -3.003 -11.678 6.016 1.00 41.21 H new ATOM 402 N THR A 29 -3.696 -6.987 6.391 1.00 2.52 N ATOM 403 CA THR A 29 -4.655 -6.526 5.406 1.00 12.33 C ATOM 404 C THR A 29 -4.573 -5.013 5.225 1.00 43.34 C ATOM 405 O THR A 29 -4.734 -4.251 6.180 1.00 35.13 O ATOM 406 CB THR A 29 -6.095 -6.916 5.805 1.00 14.24 C ATOM 407 OG1 THR A 29 -6.170 -8.323 6.070 1.00 64.03 O ATOM 408 CG2 THR A 29 -7.086 -6.553 4.706 1.00 30.20 C ATOM 0 H THR A 29 -3.857 -6.637 7.336 1.00 2.52 H new ATOM 0 HA THR A 29 -4.405 -7.011 4.462 1.00 12.33 H new ATOM 0 HB THR A 29 -6.355 -6.360 6.706 1.00 14.24 H new ATOM 0 HG1 THR A 29 -6.527 -8.785 5.283 1.00 64.03 H new ATOM 0 HG21 THR A 29 -8.092 -6.839 5.014 1.00 30.20 H new ATOM 0 HG22 THR A 29 -7.053 -5.478 4.527 1.00 30.20 H new ATOM 0 HG23 THR A 29 -6.823 -7.082 3.790 1.00 30.20 H new ATOM 416 N SER A 30 -4.338 -4.586 3.995 1.00 43.32 N ATOM 417 CA SER A 30 -4.282 -3.173 3.676 1.00 3.11 C ATOM 418 C SER A 30 -5.629 -2.728 3.123 1.00 52.12 C ATOM 419 O SER A 30 -6.118 -3.286 2.137 1.00 65.41 O ATOM 420 CB SER A 30 -3.169 -2.908 2.657 1.00 21.24 C ATOM 421 OG SER A 30 -3.003 -1.521 2.409 1.00 75.32 O ATOM 0 H SER A 30 -4.182 -5.204 3.198 1.00 43.32 H new ATOM 0 HA SER A 30 -4.062 -2.604 4.579 1.00 3.11 H new ATOM 0 HB2 SER A 30 -2.232 -3.326 3.025 1.00 21.24 H new ATOM 0 HB3 SER A 30 -3.402 -3.419 1.723 1.00 21.24 H new ATOM 0 HG SER A 30 -2.284 -1.389 1.756 1.00 75.32 H new ATOM 427 N LYS A 31 -6.240 -1.752 3.776 1.00 21.01 N ATOM 428 CA LYS A 31 -7.545 -1.266 3.362 1.00 13.24 C ATOM 429 C LYS A 31 -7.417 0.122 2.766 1.00 1.11 C ATOM 430 O LYS A 31 -6.523 0.890 3.132 1.00 74.22 O ATOM 431 CB LYS A 31 -8.539 -1.216 4.529 1.00 12.42 C ATOM 432 CG LYS A 31 -8.722 -2.532 5.272 1.00 74.23 C ATOM 433 CD LYS A 31 -7.598 -2.758 6.262 1.00 23.41 C ATOM 434 CE LYS A 31 -7.879 -3.940 7.177 1.00 4.13 C ATOM 435 NZ LYS A 31 -6.823 -4.114 8.207 1.00 4.41 N ATOM 0 H LYS A 31 -5.853 -1.282 4.594 1.00 21.01 H new ATOM 0 HA LYS A 31 -7.926 -1.965 2.618 1.00 13.24 H new ATOM 0 HB2 LYS A 31 -8.206 -0.458 5.238 1.00 12.42 H new ATOM 0 HB3 LYS A 31 -9.508 -0.893 4.148 1.00 12.42 H new ATOM 0 HG2 LYS A 31 -9.678 -2.528 5.796 1.00 74.23 H new ATOM 0 HG3 LYS A 31 -8.754 -3.355 4.558 1.00 74.23 H new ATOM 0 HD2 LYS A 31 -6.667 -2.930 5.722 1.00 23.41 H new ATOM 0 HD3 LYS A 31 -7.457 -1.859 6.862 1.00 23.41 H new ATOM 0 HE2 LYS A 31 -8.842 -3.797 7.667 1.00 4.13 H new ATOM 0 HE3 LYS A 31 -7.956 -4.849 6.581 1.00 4.13 H new ATOM 0 HZ1 LYS A 31 -7.019 -4.970 8.765 1.00 4.41 H new ATOM 0 HZ2 LYS A 31 -5.897 -4.208 7.743 1.00 4.41 H new ATOM 0 HZ3 LYS A 31 -6.812 -3.286 8.836 1.00 4.41 H new ATOM 449 N PHE A 32 -8.324 0.436 1.867 1.00 74.20 N ATOM 450 CA PHE A 32 -8.314 1.708 1.171 1.00 15.24 C ATOM 451 C PHE A 32 -9.680 1.978 0.554 1.00 72.51 C ATOM 452 O PHE A 32 -10.197 1.160 -0.206 1.00 21.51 O ATOM 453 CB PHE A 32 -7.235 1.703 0.083 1.00 3.45 C ATOM 454 CG PHE A 32 -7.093 3.009 -0.649 1.00 52.34 C ATOM 455 CD1 PHE A 32 -6.459 4.087 -0.052 1.00 20.24 C ATOM 456 CD2 PHE A 32 -7.585 3.155 -1.935 1.00 23.25 C ATOM 457 CE1 PHE A 32 -6.320 5.286 -0.724 1.00 54.45 C ATOM 458 CE2 PHE A 32 -7.449 4.351 -2.613 1.00 25.35 C ATOM 459 CZ PHE A 32 -6.814 5.417 -2.006 1.00 74.23 C ATOM 0 H PHE A 32 -9.090 -0.181 1.597 1.00 74.20 H new ATOM 0 HA PHE A 32 -8.089 2.500 1.886 1.00 15.24 H new ATOM 0 HB2 PHE A 32 -6.278 1.448 0.537 1.00 3.45 H new ATOM 0 HB3 PHE A 32 -7.465 0.918 -0.638 1.00 3.45 H new ATOM 0 HD1 PHE A 32 -6.069 3.989 0.950 1.00 20.24 H new ATOM 0 HD2 PHE A 32 -8.081 2.324 -2.414 1.00 23.25 H new ATOM 0 HE1 PHE A 32 -5.826 6.119 -0.247 1.00 54.45 H new ATOM 0 HE2 PHE A 32 -7.838 4.452 -3.615 1.00 25.35 H new ATOM 0 HZ PHE A 32 -6.704 6.353 -2.534 1.00 74.23 H new ATOM 469 N SER A 33 -10.275 3.106 0.907 1.00 74.51 N ATOM 470 CA SER A 33 -11.531 3.524 0.303 1.00 12.43 C ATOM 471 C SER A 33 -11.447 4.994 -0.093 1.00 41.40 C ATOM 472 O SER A 33 -11.447 5.877 0.764 1.00 73.34 O ATOM 473 CB SER A 33 -12.701 3.308 1.271 1.00 14.43 C ATOM 474 OG SER A 33 -12.621 2.041 1.906 1.00 14.42 O ATOM 0 H SER A 33 -9.909 3.749 1.609 1.00 74.51 H new ATOM 0 HA SER A 33 -11.707 2.918 -0.586 1.00 12.43 H new ATOM 0 HB2 SER A 33 -12.701 4.095 2.025 1.00 14.43 H new ATOM 0 HB3 SER A 33 -13.643 3.386 0.728 1.00 14.43 H new ATOM 0 HG SER A 33 -13.379 1.933 2.518 1.00 14.42 H new ATOM 480 N ARG A 34 -11.349 5.253 -1.386 1.00 50.22 N ATOM 481 CA ARG A 34 -11.265 6.621 -1.872 1.00 1.23 C ATOM 482 C ARG A 34 -12.506 6.964 -2.681 1.00 64.53 C ATOM 483 O ARG A 34 -13.037 6.119 -3.403 1.00 1.45 O ATOM 484 CB ARG A 34 -10.007 6.825 -2.726 1.00 22.34 C ATOM 485 CG ARG A 34 -9.713 8.290 -3.023 1.00 3.11 C ATOM 486 CD ARG A 34 -8.461 8.466 -3.870 1.00 3.00 C ATOM 487 NE ARG A 34 -8.071 9.876 -3.966 1.00 25.45 N ATOM 488 CZ ARG A 34 -7.133 10.348 -4.788 1.00 23.53 C ATOM 489 NH1 ARG A 34 -6.523 9.545 -5.647 1.00 54.44 N ATOM 490 NH2 ARG A 34 -6.816 11.636 -4.760 1.00 43.43 N ATOM 0 H ARG A 34 -11.326 4.540 -2.115 1.00 50.22 H new ATOM 0 HA ARG A 34 -11.203 7.286 -1.010 1.00 1.23 H new ATOM 0 HB2 ARG A 34 -9.152 6.387 -2.212 1.00 22.34 H new ATOM 0 HB3 ARG A 34 -10.123 6.287 -3.667 1.00 22.34 H new ATOM 0 HG2 ARG A 34 -10.565 8.732 -3.541 1.00 3.11 H new ATOM 0 HG3 ARG A 34 -9.594 8.832 -2.085 1.00 3.11 H new ATOM 0 HD2 ARG A 34 -7.643 7.890 -3.437 1.00 3.00 H new ATOM 0 HD3 ARG A 34 -8.637 8.067 -4.869 1.00 3.00 H new ATOM 0 HE ARG A 34 -8.551 10.543 -3.362 1.00 25.45 H new ATOM 0 HH11 ARG A 34 -6.769 8.556 -5.684 1.00 54.44 H new ATOM 0 HH12 ARG A 34 -5.807 9.916 -6.272 1.00 54.44 H new ATOM 0 HH21 ARG A 34 -7.290 12.264 -4.110 1.00 43.43 H new ATOM 0 HH22 ARG A 34 -6.099 11.998 -5.388 1.00 43.43 H new ATOM 504 N PHE A 35 -12.973 8.197 -2.545 1.00 55.23 N ATOM 505 CA PHE A 35 -14.142 8.651 -3.281 1.00 63.33 C ATOM 506 C PHE A 35 -13.719 9.254 -4.610 1.00 70.23 C ATOM 507 O PHE A 35 -12.782 10.052 -4.667 1.00 22.20 O ATOM 508 CB PHE A 35 -14.928 9.680 -2.465 1.00 23.10 C ATOM 509 CG PHE A 35 -15.369 9.174 -1.123 1.00 22.13 C ATOM 510 CD1 PHE A 35 -16.438 8.300 -1.013 1.00 11.44 C ATOM 511 CD2 PHE A 35 -14.715 9.575 0.031 1.00 0.22 C ATOM 512 CE1 PHE A 35 -16.848 7.836 0.222 1.00 73.43 C ATOM 513 CE2 PHE A 35 -15.120 9.115 1.268 1.00 23.34 C ATOM 514 CZ PHE A 35 -16.188 8.243 1.364 1.00 71.12 C ATOM 0 H PHE A 35 -12.560 8.900 -1.932 1.00 55.23 H new ATOM 0 HA PHE A 35 -14.787 7.792 -3.468 1.00 63.33 H new ATOM 0 HB2 PHE A 35 -14.311 10.567 -2.324 1.00 23.10 H new ATOM 0 HB3 PHE A 35 -15.805 9.989 -3.034 1.00 23.10 H new ATOM 0 HD1 PHE A 35 -16.957 7.977 -1.903 1.00 11.44 H new ATOM 0 HD2 PHE A 35 -13.879 10.255 -0.038 1.00 0.22 H new ATOM 0 HE1 PHE A 35 -17.684 7.156 0.294 1.00 73.43 H new ATOM 0 HE2 PHE A 35 -14.603 9.436 2.160 1.00 23.34 H new ATOM 0 HZ PHE A 35 -16.506 7.881 2.331 1.00 71.12 H new ATOM 524 N PHE A 36 -14.396 8.856 -5.674 1.00 4.41 N ATOM 525 CA PHE A 36 -14.094 9.352 -7.008 1.00 2.05 C ATOM 526 C PHE A 36 -15.299 10.069 -7.599 1.00 51.10 C ATOM 527 O PHE A 36 -16.433 9.832 -7.181 1.00 50.11 O ATOM 528 CB PHE A 36 -13.677 8.201 -7.925 1.00 53.43 C ATOM 529 CG PHE A 36 -12.393 7.533 -7.518 1.00 52.55 C ATOM 530 CD1 PHE A 36 -11.173 8.000 -7.982 1.00 12.40 C ATOM 531 CD2 PHE A 36 -12.405 6.438 -6.668 1.00 14.31 C ATOM 532 CE1 PHE A 36 -9.993 7.388 -7.607 1.00 31.43 C ATOM 533 CE2 PHE A 36 -11.227 5.822 -6.292 1.00 31.03 C ATOM 534 CZ PHE A 36 -10.021 6.297 -6.761 1.00 31.43 C ATOM 0 H PHE A 36 -15.164 8.186 -5.640 1.00 4.41 H new ATOM 0 HA PHE A 36 -13.268 10.059 -6.927 1.00 2.05 H new ATOM 0 HB2 PHE A 36 -14.473 7.456 -7.942 1.00 53.43 H new ATOM 0 HB3 PHE A 36 -13.572 8.579 -8.942 1.00 53.43 H new ATOM 0 HD1 PHE A 36 -11.145 8.852 -8.645 1.00 12.40 H new ATOM 0 HD2 PHE A 36 -13.346 6.062 -6.295 1.00 14.31 H new ATOM 0 HE1 PHE A 36 -9.049 7.762 -7.975 1.00 31.43 H new ATOM 0 HE2 PHE A 36 -11.251 4.968 -5.631 1.00 31.03 H new ATOM 0 HZ PHE A 36 -9.099 5.817 -6.467 1.00 31.43 H new ATOM 544 N ALA A 37 -15.049 10.937 -8.573 1.00 14.11 N ATOM 545 CA ALA A 37 -16.110 11.701 -9.217 1.00 34.32 C ATOM 546 C ALA A 37 -17.113 10.777 -9.900 1.00 53.43 C ATOM 547 O ALA A 37 -18.325 10.980 -9.804 1.00 53.24 O ATOM 548 CB ALA A 37 -15.522 12.681 -10.223 1.00 74.42 C ATOM 0 H ALA A 37 -14.115 11.129 -8.935 1.00 14.11 H new ATOM 0 HA ALA A 37 -16.638 12.263 -8.446 1.00 34.32 H new ATOM 0 HB1 ALA A 37 -16.327 13.244 -10.696 1.00 74.42 H new ATOM 0 HB2 ALA A 37 -14.850 13.369 -9.710 1.00 74.42 H new ATOM 0 HB3 ALA A 37 -14.968 12.132 -10.984 1.00 74.42 H new ATOM 554 N THR A 38 -16.612 9.761 -10.587 1.00 52.35 N ATOM 555 CA THR A 38 -17.472 8.799 -11.257 1.00 2.41 C ATOM 556 C THR A 38 -17.004 7.377 -10.971 1.00 63.21 C ATOM 557 O THR A 38 -15.857 7.171 -10.570 1.00 14.15 O ATOM 558 CB THR A 38 -17.496 9.026 -12.783 1.00 45.24 C ATOM 559 OG1 THR A 38 -16.159 9.045 -13.293 1.00 74.02 O ATOM 560 CG2 THR A 38 -18.197 10.333 -13.139 1.00 23.25 C ATOM 0 H THR A 38 -15.614 9.582 -10.695 1.00 52.35 H new ATOM 0 HA THR A 38 -18.480 8.941 -10.868 1.00 2.41 H new ATOM 0 HB THR A 38 -18.052 8.205 -13.236 1.00 45.24 H new ATOM 0 HG1 THR A 38 -16.181 9.188 -14.262 1.00 74.02 H new ATOM 0 HG21 THR A 38 -18.197 10.463 -14.221 1.00 23.25 H new ATOM 0 HG22 THR A 38 -19.225 10.305 -12.777 1.00 23.25 H new ATOM 0 HG23 THR A 38 -17.671 11.166 -12.673 1.00 23.25 H new ATOM 568 N ARG A 39 -17.886 6.401 -11.170 1.00 62.24 N ATOM 569 CA ARG A 39 -17.524 5.002 -10.965 1.00 71.25 C ATOM 570 C ARG A 39 -16.409 4.601 -11.921 1.00 75.24 C ATOM 571 O ARG A 39 -15.576 3.756 -11.600 1.00 61.43 O ATOM 572 CB ARG A 39 -18.740 4.084 -11.134 1.00 0.43 C ATOM 573 CG ARG A 39 -18.387 2.608 -11.094 1.00 40.44 C ATOM 574 CD ARG A 39 -19.616 1.722 -11.133 1.00 24.45 C ATOM 575 NE ARG A 39 -19.245 0.308 -11.190 1.00 31.11 N ATOM 576 CZ ARG A 39 -19.734 -0.629 -10.385 1.00 53.44 C ATOM 577 NH1 ARG A 39 -20.625 -0.315 -9.453 1.00 55.14 N ATOM 578 NH2 ARG A 39 -19.321 -1.885 -10.512 1.00 54.35 N ATOM 0 H ARG A 39 -18.849 6.551 -11.471 1.00 62.24 H new ATOM 0 HA ARG A 39 -17.164 4.890 -9.942 1.00 71.25 H new ATOM 0 HB2 ARG A 39 -19.462 4.300 -10.346 1.00 0.43 H new ATOM 0 HB3 ARG A 39 -19.227 4.309 -12.083 1.00 0.43 H new ATOM 0 HG2 ARG A 39 -17.742 2.368 -11.939 1.00 40.44 H new ATOM 0 HG3 ARG A 39 -17.818 2.397 -10.188 1.00 40.44 H new ATOM 0 HD2 ARG A 39 -20.228 1.905 -10.250 1.00 24.45 H new ATOM 0 HD3 ARG A 39 -20.224 1.977 -12.001 1.00 24.45 H new ATOM 0 HE ARG A 39 -18.565 0.022 -11.895 1.00 31.11 H new ATOM 0 HH11 ARG A 39 -20.938 0.650 -9.352 1.00 55.14 H new ATOM 0 HH12 ARG A 39 -20.997 -1.039 -8.838 1.00 55.14 H new ATOM 0 HH21 ARG A 39 -18.632 -2.126 -11.225 1.00 54.35 H new ATOM 0 HH22 ARG A 39 -19.693 -2.609 -9.897 1.00 54.35 H new ATOM 592 N GLU A 40 -16.389 5.239 -13.084 1.00 11.02 N ATOM 593 CA GLU A 40 -15.329 5.040 -14.061 1.00 13.54 C ATOM 594 C GLU A 40 -13.972 5.313 -13.432 1.00 11.24 C ATOM 595 O GLU A 40 -13.050 4.504 -13.527 1.00 12.11 O ATOM 596 CB GLU A 40 -15.536 5.978 -15.239 1.00 53.33 C ATOM 597 CG GLU A 40 -16.871 5.792 -15.932 1.00 24.21 C ATOM 598 CD GLU A 40 -17.115 6.829 -17.004 1.00 41.32 C ATOM 599 OE1 GLU A 40 -17.577 7.938 -16.665 1.00 4.34 O ATOM 600 OE2 GLU A 40 -16.847 6.540 -18.188 1.00 54.10 O ATOM 0 H GLU A 40 -17.104 5.906 -13.375 1.00 11.02 H new ATOM 0 HA GLU A 40 -15.360 4.006 -14.404 1.00 13.54 H new ATOM 0 HB2 GLU A 40 -15.456 7.008 -14.892 1.00 53.33 H new ATOM 0 HB3 GLU A 40 -14.735 5.823 -15.962 1.00 53.33 H new ATOM 0 HG2 GLU A 40 -16.911 4.798 -16.377 1.00 24.21 H new ATOM 0 HG3 GLU A 40 -17.671 5.843 -15.193 1.00 24.21 H new ATOM 607 N GLU A 41 -13.880 6.462 -12.773 1.00 30.15 N ATOM 608 CA GLU A 41 -12.669 6.878 -12.075 1.00 5.42 C ATOM 609 C GLU A 41 -12.245 5.833 -11.046 1.00 33.43 C ATOM 610 O GLU A 41 -11.054 5.632 -10.798 1.00 43.24 O ATOM 611 CB GLU A 41 -12.915 8.225 -11.386 1.00 11.23 C ATOM 612 CG GLU A 41 -13.174 9.361 -12.356 1.00 30.33 C ATOM 613 CD GLU A 41 -11.982 9.642 -13.239 1.00 23.02 C ATOM 614 OE1 GLU A 41 -11.854 8.995 -14.301 1.00 22.53 O ATOM 615 OE2 GLU A 41 -11.162 10.506 -12.871 1.00 61.33 O ATOM 0 H GLU A 41 -14.645 7.133 -12.707 1.00 30.15 H new ATOM 0 HA GLU A 41 -11.864 6.981 -12.803 1.00 5.42 H new ATOM 0 HB2 GLU A 41 -13.768 8.130 -10.714 1.00 11.23 H new ATOM 0 HB3 GLU A 41 -12.050 8.473 -10.771 1.00 11.23 H new ATOM 0 HG2 GLU A 41 -14.035 9.116 -12.978 1.00 30.33 H new ATOM 0 HG3 GLU A 41 -13.430 10.261 -11.798 1.00 30.33 H new ATOM 622 N ALA A 42 -13.234 5.163 -10.470 1.00 41.34 N ATOM 623 CA ALA A 42 -12.990 4.155 -9.448 1.00 71.01 C ATOM 624 C ALA A 42 -12.476 2.863 -10.069 1.00 43.34 C ATOM 625 O ALA A 42 -11.436 2.336 -9.665 1.00 33.35 O ATOM 626 CB ALA A 42 -14.256 3.891 -8.642 1.00 21.52 C ATOM 0 H ALA A 42 -14.219 5.301 -10.695 1.00 41.34 H new ATOM 0 HA ALA A 42 -12.223 4.537 -8.774 1.00 71.01 H new ATOM 0 HB1 ALA A 42 -14.053 3.135 -7.883 1.00 21.52 H new ATOM 0 HB2 ALA A 42 -14.578 4.813 -8.158 1.00 21.52 H new ATOM 0 HB3 ALA A 42 -15.043 3.536 -9.307 1.00 21.52 H new ATOM 632 N GLU A 43 -13.202 2.364 -11.065 1.00 4.20 N ATOM 633 CA GLU A 43 -12.857 1.105 -11.714 1.00 22.20 C ATOM 634 C GLU A 43 -11.510 1.213 -12.423 1.00 14.44 C ATOM 635 O GLU A 43 -10.739 0.254 -12.462 1.00 14.21 O ATOM 636 CB GLU A 43 -13.951 0.701 -12.709 1.00 71.42 C ATOM 637 CG GLU A 43 -15.340 0.646 -12.090 1.00 74.44 C ATOM 638 CD GLU A 43 -16.398 0.126 -13.038 1.00 32.44 C ATOM 639 OE1 GLU A 43 -16.474 0.619 -14.184 1.00 4.15 O ATOM 640 OE2 GLU A 43 -17.167 -0.776 -12.643 1.00 61.25 O ATOM 0 H GLU A 43 -14.036 2.815 -11.441 1.00 4.20 H new ATOM 0 HA GLU A 43 -12.779 0.335 -10.947 1.00 22.20 H new ATOM 0 HB2 GLU A 43 -13.958 1.410 -13.537 1.00 71.42 H new ATOM 0 HB3 GLU A 43 -13.709 -0.276 -13.127 1.00 71.42 H new ATOM 0 HG2 GLU A 43 -15.311 0.010 -11.205 1.00 74.44 H new ATOM 0 HG3 GLU A 43 -15.621 1.645 -11.756 1.00 74.44 H new ATOM 647 N SER A 44 -11.227 2.396 -12.955 1.00 12.15 N ATOM 648 CA SER A 44 -9.977 2.653 -13.658 1.00 35.14 C ATOM 649 C SER A 44 -8.786 2.561 -12.706 1.00 52.54 C ATOM 650 O SER A 44 -7.679 2.201 -13.113 1.00 73.01 O ATOM 651 CB SER A 44 -10.025 4.039 -14.309 1.00 35.31 C ATOM 652 OG SER A 44 -8.912 4.251 -15.158 1.00 21.32 O ATOM 0 H SER A 44 -11.854 3.200 -12.912 1.00 12.15 H new ATOM 0 HA SER A 44 -9.853 1.895 -14.431 1.00 35.14 H new ATOM 0 HB2 SER A 44 -10.946 4.141 -14.882 1.00 35.31 H new ATOM 0 HB3 SER A 44 -10.045 4.806 -13.534 1.00 35.31 H new ATOM 0 HG SER A 44 -8.972 5.143 -15.559 1.00 21.32 H new ATOM 658 N PHE A 45 -9.019 2.873 -11.435 1.00 32.32 N ATOM 659 CA PHE A 45 -7.960 2.838 -10.442 1.00 24.34 C ATOM 660 C PHE A 45 -7.651 1.398 -10.052 1.00 41.23 C ATOM 661 O PHE A 45 -6.490 1.008 -9.954 1.00 33.33 O ATOM 662 CB PHE A 45 -8.359 3.656 -9.209 1.00 1.42 C ATOM 663 CG PHE A 45 -7.290 3.733 -8.156 1.00 14.11 C ATOM 664 CD1 PHE A 45 -6.075 4.341 -8.428 1.00 61.11 C ATOM 665 CD2 PHE A 45 -7.503 3.203 -6.892 1.00 62.41 C ATOM 666 CE1 PHE A 45 -5.090 4.416 -7.461 1.00 73.00 C ATOM 667 CE2 PHE A 45 -6.521 3.275 -5.922 1.00 31.52 C ATOM 668 CZ PHE A 45 -5.313 3.883 -6.207 1.00 50.22 C ATOM 0 H PHE A 45 -9.931 3.152 -11.073 1.00 32.32 H new ATOM 0 HA PHE A 45 -7.061 3.280 -10.872 1.00 24.34 H new ATOM 0 HB2 PHE A 45 -8.618 4.667 -9.524 1.00 1.42 H new ATOM 0 HB3 PHE A 45 -9.256 3.219 -8.770 1.00 1.42 H new ATOM 0 HD1 PHE A 45 -5.895 4.761 -9.407 1.00 61.11 H new ATOM 0 HD2 PHE A 45 -8.446 2.729 -6.663 1.00 62.41 H new ATOM 0 HE1 PHE A 45 -4.147 4.891 -7.686 1.00 73.00 H new ATOM 0 HE2 PHE A 45 -6.698 2.856 -4.942 1.00 31.52 H new ATOM 0 HZ PHE A 45 -4.545 3.941 -5.450 1.00 50.22 H new ATOM 678 N MET A 46 -8.698 0.602 -9.864 1.00 51.05 N ATOM 679 CA MET A 46 -8.545 -0.797 -9.465 1.00 12.52 C ATOM 680 C MET A 46 -7.803 -1.603 -10.536 1.00 41.33 C ATOM 681 O MET A 46 -7.175 -2.619 -10.235 1.00 61.22 O ATOM 682 CB MET A 46 -9.920 -1.415 -9.178 1.00 42.32 C ATOM 683 CG MET A 46 -9.873 -2.888 -8.794 1.00 11.23 C ATOM 684 SD MET A 46 -8.872 -3.212 -7.328 1.00 72.21 S ATOM 685 CE MET A 46 -9.757 -2.272 -6.089 1.00 64.24 C ATOM 0 H MET A 46 -9.666 0.901 -9.981 1.00 51.05 H new ATOM 0 HA MET A 46 -7.946 -0.829 -8.555 1.00 12.52 H new ATOM 0 HB2 MET A 46 -10.397 -0.856 -8.373 1.00 42.32 H new ATOM 0 HB3 MET A 46 -10.549 -1.301 -10.061 1.00 42.32 H new ATOM 0 HG2 MET A 46 -10.888 -3.243 -8.618 1.00 11.23 H new ATOM 0 HG3 MET A 46 -9.475 -3.462 -9.631 1.00 11.23 H new ATOM 0 HE1 MET A 46 -9.113 -1.481 -5.704 1.00 64.24 H new ATOM 0 HE2 MET A 46 -10.648 -1.830 -6.535 1.00 64.24 H new ATOM 0 HE3 MET A 46 -10.050 -2.932 -5.272 1.00 64.24 H new ATOM 695 N THR A 47 -7.861 -1.128 -11.779 1.00 24.21 N ATOM 696 CA THR A 47 -7.180 -1.782 -12.893 1.00 62.55 C ATOM 697 C THR A 47 -5.694 -1.984 -12.599 1.00 32.40 C ATOM 698 O THR A 47 -5.165 -3.086 -12.750 1.00 53.41 O ATOM 699 CB THR A 47 -7.321 -0.954 -14.186 1.00 2.05 C ATOM 700 OG1 THR A 47 -8.700 -0.663 -14.443 1.00 40.30 O ATOM 701 CG2 THR A 47 -6.732 -1.695 -15.376 1.00 51.10 C ATOM 0 H THR A 47 -8.376 -0.287 -12.040 1.00 24.21 H new ATOM 0 HA THR A 47 -7.653 -2.755 -13.026 1.00 62.55 H new ATOM 0 HB THR A 47 -6.772 -0.023 -14.046 1.00 2.05 H new ATOM 0 HG1 THR A 47 -8.775 -0.136 -15.266 1.00 40.30 H new ATOM 0 HG21 THR A 47 -6.845 -1.088 -16.275 1.00 51.10 H new ATOM 0 HG22 THR A 47 -5.674 -1.886 -15.198 1.00 51.10 H new ATOM 0 HG23 THR A 47 -7.254 -2.642 -15.510 1.00 51.10 H new ATOM 709 N LYS A 48 -5.028 -0.919 -12.174 1.00 75.01 N ATOM 710 CA LYS A 48 -3.595 -0.973 -11.909 1.00 0.31 C ATOM 711 C LYS A 48 -3.297 -1.728 -10.617 1.00 61.21 C ATOM 712 O LYS A 48 -2.229 -2.326 -10.471 1.00 42.51 O ATOM 713 CB LYS A 48 -2.991 0.427 -11.886 1.00 44.31 C ATOM 714 CG LYS A 48 -3.627 1.367 -10.889 1.00 43.24 C ATOM 715 CD LYS A 48 -3.239 2.805 -11.170 1.00 22.42 C ATOM 716 CE LYS A 48 -1.729 2.996 -11.173 1.00 62.13 C ATOM 717 NZ LYS A 48 -1.346 4.369 -11.596 1.00 43.52 N ATOM 0 H LYS A 48 -5.455 -0.008 -12.005 1.00 75.01 H new ATOM 0 HA LYS A 48 -3.126 -1.525 -12.724 1.00 0.31 H new ATOM 0 HB2 LYS A 48 -1.927 0.346 -11.663 1.00 44.31 H new ATOM 0 HB3 LYS A 48 -3.076 0.862 -12.882 1.00 44.31 H new ATOM 0 HG2 LYS A 48 -4.711 1.265 -10.929 1.00 43.24 H new ATOM 0 HG3 LYS A 48 -3.319 1.094 -9.880 1.00 43.24 H new ATOM 0 HD2 LYS A 48 -3.645 3.108 -12.135 1.00 22.42 H new ATOM 0 HD3 LYS A 48 -3.686 3.455 -10.418 1.00 22.42 H new ATOM 0 HE2 LYS A 48 -1.336 2.800 -10.175 1.00 62.13 H new ATOM 0 HE3 LYS A 48 -1.272 2.268 -11.844 1.00 62.13 H new ATOM 0 HZ1 LYS A 48 -0.310 4.459 -11.585 1.00 43.52 H new ATOM 0 HZ2 LYS A 48 -1.699 4.547 -12.558 1.00 43.52 H new ATOM 0 HZ3 LYS A 48 -1.761 5.062 -10.941 1.00 43.52 H new ATOM 731 N LEU A 49 -4.246 -1.710 -9.684 1.00 60.34 N ATOM 732 CA LEU A 49 -4.104 -2.459 -8.437 1.00 54.51 C ATOM 733 C LEU A 49 -4.040 -3.956 -8.719 1.00 22.24 C ATOM 734 O LEU A 49 -3.392 -4.706 -7.990 1.00 43.00 O ATOM 735 CB LEU A 49 -5.255 -2.152 -7.469 1.00 70.10 C ATOM 736 CG LEU A 49 -5.063 -0.919 -6.575 1.00 12.31 C ATOM 737 CD1 LEU A 49 -3.822 -1.076 -5.713 1.00 30.51 C ATOM 738 CD2 LEU A 49 -4.968 0.350 -7.405 1.00 1.44 C ATOM 0 H LEU A 49 -5.118 -1.188 -9.767 1.00 60.34 H new ATOM 0 HA LEU A 49 -3.172 -2.147 -7.965 1.00 54.51 H new ATOM 0 HB2 LEU A 49 -6.168 -2.018 -8.050 1.00 70.10 H new ATOM 0 HB3 LEU A 49 -5.409 -3.021 -6.829 1.00 70.10 H new ATOM 0 HG LEU A 49 -5.935 -0.837 -5.926 1.00 12.31 H new ATOM 0 HD11 LEU A 49 -3.701 -0.193 -5.085 1.00 30.51 H new ATOM 0 HD12 LEU A 49 -3.927 -1.958 -5.082 1.00 30.51 H new ATOM 0 HD13 LEU A 49 -2.947 -1.189 -6.353 1.00 30.51 H new ATOM 0 HD21 LEU A 49 -4.832 1.207 -6.745 1.00 1.44 H new ATOM 0 HD22 LEU A 49 -4.119 0.277 -8.085 1.00 1.44 H new ATOM 0 HD23 LEU A 49 -5.884 0.477 -7.981 1.00 1.44 H new ATOM 750 N LYS A 50 -4.705 -4.378 -9.790 1.00 5.12 N ATOM 751 CA LYS A 50 -4.648 -5.766 -10.247 1.00 62.04 C ATOM 752 C LYS A 50 -3.202 -6.192 -10.504 1.00 44.53 C ATOM 753 O LYS A 50 -2.798 -7.308 -10.169 1.00 4.13 O ATOM 754 CB LYS A 50 -5.477 -5.926 -11.524 1.00 63.24 C ATOM 755 CG LYS A 50 -6.846 -6.559 -11.310 1.00 22.14 C ATOM 756 CD LYS A 50 -7.683 -5.811 -10.285 1.00 71.34 C ATOM 757 CE LYS A 50 -9.099 -6.369 -10.219 1.00 32.11 C ATOM 758 NZ LYS A 50 -9.116 -7.828 -9.925 1.00 63.43 N ATOM 0 H LYS A 50 -5.295 -3.774 -10.363 1.00 5.12 H new ATOM 0 HA LYS A 50 -5.061 -6.406 -9.467 1.00 62.04 H new ATOM 0 HB2 LYS A 50 -5.611 -4.946 -11.981 1.00 63.24 H new ATOM 0 HB3 LYS A 50 -4.916 -6.534 -12.233 1.00 63.24 H new ATOM 0 HG2 LYS A 50 -7.381 -6.588 -12.259 1.00 22.14 H new ATOM 0 HG3 LYS A 50 -6.718 -7.592 -10.985 1.00 22.14 H new ATOM 0 HD2 LYS A 50 -7.214 -5.885 -9.304 1.00 71.34 H new ATOM 0 HD3 LYS A 50 -7.718 -4.752 -10.542 1.00 71.34 H new ATOM 0 HE2 LYS A 50 -9.661 -5.839 -9.450 1.00 32.11 H new ATOM 0 HE3 LYS A 50 -9.604 -6.185 -11.167 1.00 32.11 H new ATOM 0 HZ1 LYS A 50 -10.093 -8.133 -9.739 1.00 63.43 H new ATOM 0 HZ2 LYS A 50 -8.739 -8.351 -10.741 1.00 63.43 H new ATOM 0 HZ3 LYS A 50 -8.528 -8.021 -9.089 1.00 63.43 H new ATOM 772 N GLU A 51 -2.428 -5.292 -11.090 1.00 42.05 N ATOM 773 CA GLU A 51 -1.020 -5.549 -11.358 1.00 41.40 C ATOM 774 C GLU A 51 -0.201 -5.455 -10.079 1.00 21.32 C ATOM 775 O GLU A 51 0.564 -6.364 -9.748 1.00 74.40 O ATOM 776 CB GLU A 51 -0.475 -4.544 -12.368 1.00 51.21 C ATOM 777 CG GLU A 51 -1.170 -4.579 -13.712 1.00 13.12 C ATOM 778 CD GLU A 51 -0.593 -3.564 -14.671 1.00 12.00 C ATOM 779 OE1 GLU A 51 0.583 -3.709 -15.063 1.00 74.21 O ATOM 780 OE2 GLU A 51 -1.306 -2.603 -15.029 1.00 31.32 O ATOM 0 H GLU A 51 -2.752 -4.373 -11.391 1.00 42.05 H new ATOM 0 HA GLU A 51 -0.940 -6.557 -11.765 1.00 41.40 H new ATOM 0 HB2 GLU A 51 -0.565 -3.541 -11.951 1.00 51.21 H new ATOM 0 HB3 GLU A 51 0.588 -4.734 -12.516 1.00 51.21 H new ATOM 0 HG2 GLU A 51 -1.080 -5.577 -14.142 1.00 13.12 H new ATOM 0 HG3 GLU A 51 -2.234 -4.386 -13.576 1.00 13.12 H new ATOM 787 N LEU A 52 -0.383 -4.350 -9.368 1.00 51.23 N ATOM 788 CA LEU A 52 0.410 -4.042 -8.182 1.00 21.25 C ATOM 789 C LEU A 52 0.305 -5.133 -7.120 1.00 73.02 C ATOM 790 O LEU A 52 1.309 -5.520 -6.523 1.00 11.55 O ATOM 791 CB LEU A 52 -0.028 -2.696 -7.597 1.00 22.14 C ATOM 792 CG LEU A 52 0.141 -1.498 -8.534 1.00 24.41 C ATOM 793 CD1 LEU A 52 -0.425 -0.239 -7.898 1.00 15.33 C ATOM 794 CD2 LEU A 52 1.607 -1.301 -8.887 1.00 50.03 C ATOM 0 H LEU A 52 -1.082 -3.643 -9.595 1.00 51.23 H new ATOM 0 HA LEU A 52 1.454 -3.987 -8.490 1.00 21.25 H new ATOM 0 HB2 LEU A 52 -1.076 -2.767 -7.307 1.00 22.14 H new ATOM 0 HB3 LEU A 52 0.542 -2.510 -6.687 1.00 22.14 H new ATOM 0 HG LEU A 52 -0.412 -1.699 -9.452 1.00 24.41 H new ATOM 0 HD11 LEU A 52 -0.296 0.602 -8.579 1.00 15.33 H new ATOM 0 HD12 LEU A 52 -1.486 -0.380 -7.693 1.00 15.33 H new ATOM 0 HD13 LEU A 52 0.101 -0.035 -6.965 1.00 15.33 H new ATOM 0 HD21 LEU A 52 1.709 -0.445 -9.554 1.00 50.03 H new ATOM 0 HD22 LEU A 52 2.180 -1.122 -7.977 1.00 50.03 H new ATOM 0 HD23 LEU A 52 1.985 -2.195 -9.384 1.00 50.03 H new ATOM 806 N ALA A 53 -0.907 -5.636 -6.897 1.00 53.42 N ATOM 807 CA ALA A 53 -1.144 -6.656 -5.878 1.00 33.35 C ATOM 808 C ALA A 53 -0.323 -7.916 -6.141 1.00 54.43 C ATOM 809 O ALA A 53 0.229 -8.512 -5.216 1.00 54.45 O ATOM 810 CB ALA A 53 -2.627 -7.000 -5.805 1.00 12.32 C ATOM 0 H ALA A 53 -1.742 -5.353 -7.410 1.00 53.42 H new ATOM 0 HA ALA A 53 -0.826 -6.245 -4.920 1.00 33.35 H new ATOM 0 HB1 ALA A 53 -2.787 -7.761 -5.041 1.00 12.32 H new ATOM 0 HB2 ALA A 53 -3.196 -6.106 -5.551 1.00 12.32 H new ATOM 0 HB3 ALA A 53 -2.960 -7.380 -6.771 1.00 12.32 H new ATOM 816 N ALA A 54 -0.229 -8.303 -7.406 1.00 15.01 N ATOM 817 CA ALA A 54 0.484 -9.518 -7.787 1.00 53.50 C ATOM 818 C ALA A 54 1.995 -9.316 -7.740 1.00 22.44 C ATOM 819 O ALA A 54 2.745 -10.254 -7.480 1.00 72.31 O ATOM 820 CB ALA A 54 0.050 -9.972 -9.171 1.00 22.01 C ATOM 0 H ALA A 54 -0.638 -7.793 -8.189 1.00 15.01 H new ATOM 0 HA ALA A 54 0.231 -10.295 -7.065 1.00 53.50 H new ATOM 0 HB1 ALA A 54 0.590 -10.879 -9.442 1.00 22.01 H new ATOM 0 HB2 ALA A 54 -1.021 -10.174 -9.168 1.00 22.01 H new ATOM 0 HB3 ALA A 54 0.270 -9.189 -9.896 1.00 22.01 H new ATOM 826 N ALA A 55 2.436 -8.092 -7.993 1.00 43.22 N ATOM 827 CA ALA A 55 3.861 -7.780 -8.003 1.00 33.14 C ATOM 828 C ALA A 55 4.399 -7.593 -6.587 1.00 22.13 C ATOM 829 O ALA A 55 5.548 -7.932 -6.297 1.00 14.42 O ATOM 830 CB ALA A 55 4.119 -6.533 -8.837 1.00 41.03 C ATOM 0 H ALA A 55 1.829 -7.298 -8.194 1.00 43.22 H new ATOM 0 HA ALA A 55 4.388 -8.623 -8.451 1.00 33.14 H new ATOM 0 HB1 ALA A 55 5.186 -6.310 -8.837 1.00 41.03 H new ATOM 0 HB2 ALA A 55 3.784 -6.704 -9.860 1.00 41.03 H new ATOM 0 HB3 ALA A 55 3.572 -5.691 -8.412 1.00 41.03 H new ATOM 836 N ALA A 56 3.560 -7.052 -5.711 1.00 12.35 N ATOM 837 CA ALA A 56 3.958 -6.781 -4.335 1.00 63.11 C ATOM 838 C ALA A 56 3.888 -8.037 -3.478 1.00 31.14 C ATOM 839 O ALA A 56 4.785 -8.299 -2.678 1.00 24.24 O ATOM 840 CB ALA A 56 3.083 -5.686 -3.743 1.00 23.02 C ATOM 0 H ALA A 56 2.598 -6.792 -5.930 1.00 12.35 H new ATOM 0 HA ALA A 56 4.994 -6.443 -4.345 1.00 63.11 H new ATOM 0 HB1 ALA A 56 3.389 -5.492 -2.715 1.00 23.02 H new ATOM 0 HB2 ALA A 56 3.191 -4.775 -4.332 1.00 23.02 H new ATOM 0 HB3 ALA A 56 2.041 -6.005 -3.757 1.00 23.02 H new ATOM 846 N SER A 57 2.828 -8.814 -3.657 1.00 25.44 N ATOM 847 CA SER A 57 2.604 -9.994 -2.839 1.00 12.30 C ATOM 848 C SER A 57 3.329 -11.206 -3.415 1.00 51.53 C ATOM 849 O SER A 57 3.171 -11.542 -4.590 1.00 23.23 O ATOM 850 CB SER A 57 1.103 -10.276 -2.730 1.00 12.15 C ATOM 851 OG SER A 57 0.845 -11.436 -1.955 1.00 32.32 O ATOM 0 H SER A 57 2.110 -8.647 -4.362 1.00 25.44 H new ATOM 0 HA SER A 57 3.006 -9.803 -1.844 1.00 12.30 H new ATOM 0 HB2 SER A 57 0.603 -9.418 -2.280 1.00 12.15 H new ATOM 0 HB3 SER A 57 0.683 -10.403 -3.728 1.00 12.15 H new ATOM 0 HG SER A 57 0.035 -11.877 -2.286 1.00 32.32 H new ATOM 857 N SER A 58 4.110 -11.863 -2.570 1.00 41.34 N ATOM 858 CA SER A 58 4.861 -13.051 -2.959 1.00 21.41 C ATOM 859 C SER A 58 3.969 -14.296 -3.015 1.00 23.23 C ATOM 860 O SER A 58 4.460 -15.422 -3.106 1.00 65.13 O ATOM 861 CB SER A 58 5.997 -13.273 -1.965 1.00 64.13 C ATOM 862 OG SER A 58 6.791 -12.103 -1.833 1.00 64.03 O ATOM 0 H SER A 58 4.242 -11.589 -1.596 1.00 41.34 H new ATOM 0 HA SER A 58 5.261 -12.888 -3.960 1.00 21.41 H new ATOM 0 HB2 SER A 58 5.587 -13.550 -0.994 1.00 64.13 H new ATOM 0 HB3 SER A 58 6.619 -14.104 -2.297 1.00 64.13 H new ATOM 0 HG SER A 58 6.499 -11.596 -1.047 1.00 64.03 H new ATOM 868 N ALA A 59 2.662 -14.089 -2.976 1.00 64.10 N ATOM 869 CA ALA A 59 1.704 -15.191 -3.007 1.00 4.33 C ATOM 870 C ALA A 59 1.317 -15.555 -4.439 1.00 30.40 C ATOM 871 O ALA A 59 0.287 -16.202 -4.670 1.00 30.13 O ATOM 872 CB ALA A 59 0.470 -14.830 -2.198 1.00 43.32 C ATOM 0 H ALA A 59 2.235 -13.164 -2.923 1.00 64.10 H new ATOM 0 HA ALA A 59 2.179 -16.065 -2.562 1.00 4.33 H new ATOM 0 HB1 ALA A 59 -0.239 -15.658 -2.227 1.00 43.32 H new ATOM 0 HB2 ALA A 59 0.757 -14.634 -1.165 1.00 43.32 H new ATOM 0 HB3 ALA A 59 0.005 -13.939 -2.621 1.00 43.32 H new ATOM 878 N ASP A 60 2.157 -15.140 -5.390 1.00 52.20 N ATOM 879 CA ASP A 60 1.979 -15.449 -6.817 1.00 32.21 C ATOM 880 C ASP A 60 0.810 -14.690 -7.430 1.00 53.04 C ATOM 881 O ASP A 60 0.997 -13.782 -8.236 1.00 31.13 O ATOM 882 CB ASP A 60 1.774 -16.953 -7.052 1.00 4.21 C ATOM 883 CG ASP A 60 3.057 -17.749 -7.012 1.00 11.20 C ATOM 884 OD1 ASP A 60 3.729 -17.847 -8.059 1.00 23.01 O ATOM 885 OD2 ASP A 60 3.390 -18.302 -5.943 1.00 25.35 O ATOM 0 H ASP A 60 2.985 -14.577 -5.194 1.00 52.20 H new ATOM 0 HA ASP A 60 2.899 -15.130 -7.306 1.00 32.21 H new ATOM 0 HB2 ASP A 60 1.091 -17.341 -6.296 1.00 4.21 H new ATOM 0 HB3 ASP A 60 1.295 -17.100 -8.020 1.00 4.21 H new ATOM 890 N GLU A 61 -0.393 -15.063 -7.030 1.00 61.10 N ATOM 891 CA GLU A 61 -1.610 -14.565 -7.657 1.00 22.12 C ATOM 892 C GLU A 61 -2.139 -13.336 -6.928 1.00 74.45 C ATOM 893 O GLU A 61 -3.343 -13.089 -6.888 1.00 2.41 O ATOM 894 CB GLU A 61 -2.654 -15.678 -7.664 1.00 42.01 C ATOM 895 CG GLU A 61 -2.151 -16.946 -8.330 1.00 35.31 C ATOM 896 CD GLU A 61 -3.112 -18.104 -8.202 1.00 72.25 C ATOM 897 OE1 GLU A 61 -3.061 -18.814 -7.174 1.00 13.11 O ATOM 898 OE2 GLU A 61 -3.905 -18.331 -9.136 1.00 22.53 O ATOM 0 H GLU A 61 -0.556 -15.717 -6.265 1.00 61.10 H new ATOM 0 HA GLU A 61 -1.388 -14.265 -8.681 1.00 22.12 H new ATOM 0 HB2 GLU A 61 -2.947 -15.902 -6.638 1.00 42.01 H new ATOM 0 HB3 GLU A 61 -3.548 -15.330 -8.182 1.00 42.01 H new ATOM 0 HG2 GLU A 61 -1.970 -16.747 -9.386 1.00 35.31 H new ATOM 0 HG3 GLU A 61 -1.194 -17.226 -7.890 1.00 35.31 H new ATOM 905 N GLY A 62 -1.227 -12.559 -6.372 1.00 10.30 N ATOM 906 CA GLY A 62 -1.612 -11.375 -5.643 1.00 43.42 C ATOM 907 C GLY A 62 -1.944 -11.685 -4.201 1.00 43.12 C ATOM 908 O GLY A 62 -1.210 -12.412 -3.531 1.00 23.11 O ATOM 0 H GLY A 62 -0.222 -12.729 -6.413 1.00 10.30 H new ATOM 0 HA2 GLY A 62 -0.803 -10.646 -5.681 1.00 43.42 H new ATOM 0 HA3 GLY A 62 -2.476 -10.917 -6.124 1.00 43.42 H new ATOM 912 N ALA A 63 -3.057 -11.153 -3.728 1.00 72.13 N ATOM 913 CA ALA A 63 -3.468 -11.340 -2.348 1.00 63.14 C ATOM 914 C ALA A 63 -4.981 -11.443 -2.262 1.00 25.33 C ATOM 915 O ALA A 63 -5.677 -11.208 -3.250 1.00 64.12 O ATOM 916 CB ALA A 63 -2.959 -10.191 -1.489 1.00 51.12 C ATOM 0 H ALA A 63 -3.696 -10.584 -4.284 1.00 72.13 H new ATOM 0 HA ALA A 63 -3.037 -12.268 -1.973 1.00 63.14 H new ATOM 0 HB1 ALA A 63 -3.273 -10.342 -0.456 1.00 51.12 H new ATOM 0 HB2 ALA A 63 -1.871 -10.156 -1.536 1.00 51.12 H new ATOM 0 HB3 ALA A 63 -3.368 -9.251 -1.859 1.00 51.12 H new ATOM 922 N SER A 64 -5.485 -11.792 -1.089 1.00 51.10 N ATOM 923 CA SER A 64 -6.918 -11.887 -0.877 1.00 54.10 C ATOM 924 C SER A 64 -7.533 -10.499 -0.762 1.00 11.10 C ATOM 925 O SER A 64 -7.464 -9.872 0.293 1.00 4.21 O ATOM 926 CB SER A 64 -7.213 -12.686 0.386 1.00 24.24 C ATOM 927 OG SER A 64 -6.815 -14.040 0.243 1.00 22.11 O ATOM 0 H SER A 64 -4.921 -12.014 -0.269 1.00 51.10 H new ATOM 0 HA SER A 64 -7.358 -12.398 -1.733 1.00 54.10 H new ATOM 0 HB2 SER A 64 -6.691 -12.239 1.232 1.00 24.24 H new ATOM 0 HB3 SER A 64 -8.279 -12.639 0.608 1.00 24.24 H new ATOM 0 HG SER A 64 -7.014 -14.529 1.069 1.00 22.11 H new ATOM 933 N VAL A 65 -8.115 -10.013 -1.843 1.00 41.42 N ATOM 934 CA VAL A 65 -8.698 -8.689 -1.838 1.00 3.24 C ATOM 935 C VAL A 65 -10.217 -8.750 -1.931 1.00 55.53 C ATOM 936 O VAL A 65 -10.784 -9.233 -2.910 1.00 33.52 O ATOM 937 CB VAL A 65 -8.121 -7.797 -2.966 1.00 25.03 C ATOM 938 CG1 VAL A 65 -8.271 -8.451 -4.332 1.00 51.41 C ATOM 939 CG2 VAL A 65 -8.778 -6.424 -2.953 1.00 51.42 C ATOM 0 H VAL A 65 -8.195 -10.513 -2.728 1.00 41.42 H new ATOM 0 HA VAL A 65 -8.431 -8.232 -0.885 1.00 3.24 H new ATOM 0 HB VAL A 65 -7.055 -7.675 -2.776 1.00 25.03 H new ATOM 0 HG11 VAL A 65 -7.855 -7.795 -5.097 1.00 51.41 H new ATOM 0 HG12 VAL A 65 -7.739 -9.402 -4.340 1.00 51.41 H new ATOM 0 HG13 VAL A 65 -9.327 -8.625 -4.538 1.00 51.41 H new ATOM 0 HG21 VAL A 65 -8.359 -5.813 -3.752 1.00 51.42 H new ATOM 0 HG22 VAL A 65 -9.852 -6.533 -3.104 1.00 51.42 H new ATOM 0 HG23 VAL A 65 -8.594 -5.942 -1.993 1.00 51.42 H new ATOM 949 N ALA A 66 -10.865 -8.281 -0.885 1.00 44.21 N ATOM 950 CA ALA A 66 -12.301 -8.109 -0.899 1.00 10.21 C ATOM 951 C ALA A 66 -12.602 -6.666 -1.244 1.00 15.34 C ATOM 952 O ALA A 66 -12.525 -5.786 -0.385 1.00 73.55 O ATOM 953 CB ALA A 66 -12.905 -8.489 0.446 1.00 32.20 C ATOM 0 H ALA A 66 -10.416 -8.011 -0.010 1.00 44.21 H new ATOM 0 HA ALA A 66 -12.747 -8.766 -1.646 1.00 10.21 H new ATOM 0 HB1 ALA A 66 -13.986 -8.351 0.411 1.00 32.20 H new ATOM 0 HB2 ALA A 66 -12.679 -9.533 0.665 1.00 32.20 H new ATOM 0 HB3 ALA A 66 -12.483 -7.855 1.226 1.00 32.20 H new ATOM 959 N TYR A 67 -12.887 -6.415 -2.508 1.00 55.13 N ATOM 960 CA TYR A 67 -13.050 -5.054 -2.981 1.00 61.14 C ATOM 961 C TYR A 67 -14.430 -4.849 -3.577 1.00 1.22 C ATOM 962 O TYR A 67 -15.078 -5.800 -4.022 1.00 14.32 O ATOM 963 CB TYR A 67 -11.963 -4.703 -4.009 1.00 45.41 C ATOM 964 CG TYR A 67 -12.100 -5.395 -5.352 1.00 13.35 C ATOM 965 CD1 TYR A 67 -11.700 -6.713 -5.529 1.00 60.02 C ATOM 966 CD2 TYR A 67 -12.612 -4.711 -6.449 1.00 24.53 C ATOM 967 CE1 TYR A 67 -11.807 -7.333 -6.761 1.00 22.03 C ATOM 968 CE2 TYR A 67 -12.725 -5.323 -7.683 1.00 73.24 C ATOM 969 CZ TYR A 67 -12.321 -6.633 -7.834 1.00 72.31 C ATOM 970 OH TYR A 67 -12.427 -7.242 -9.066 1.00 4.41 O ATOM 0 H TYR A 67 -13.010 -7.132 -3.223 1.00 55.13 H new ATOM 0 HA TYR A 67 -12.946 -4.386 -2.126 1.00 61.14 H new ATOM 0 HB2 TYR A 67 -11.972 -3.625 -4.171 1.00 45.41 H new ATOM 0 HB3 TYR A 67 -10.990 -4.954 -3.586 1.00 45.41 H new ATOM 0 HD1 TYR A 67 -11.299 -7.263 -4.691 1.00 60.02 H new ATOM 0 HD2 TYR A 67 -12.927 -3.684 -6.335 1.00 24.53 H new ATOM 0 HE1 TYR A 67 -11.490 -8.358 -6.883 1.00 22.03 H new ATOM 0 HE2 TYR A 67 -13.127 -4.778 -8.524 1.00 73.24 H new ATOM 0 HH TYR A 67 -12.809 -6.611 -9.711 1.00 4.41 H new ATOM 980 N LYS A 68 -14.882 -3.609 -3.574 1.00 73.34 N ATOM 981 CA LYS A 68 -16.174 -3.270 -4.132 1.00 13.13 C ATOM 982 C LYS A 68 -16.140 -1.872 -4.721 1.00 65.13 C ATOM 983 O LYS A 68 -15.301 -1.045 -4.350 1.00 40.43 O ATOM 984 CB LYS A 68 -17.272 -3.363 -3.066 1.00 1.34 C ATOM 985 CG LYS A 68 -17.181 -2.291 -1.988 1.00 44.24 C ATOM 986 CD LYS A 68 -18.262 -2.466 -0.930 1.00 54.02 C ATOM 987 CE LYS A 68 -18.008 -3.688 -0.063 1.00 33.20 C ATOM 988 NZ LYS A 68 -16.834 -3.504 0.829 1.00 42.23 N ATOM 0 H LYS A 68 -14.368 -2.817 -3.188 1.00 73.34 H new ATOM 0 HA LYS A 68 -16.401 -3.985 -4.923 1.00 13.13 H new ATOM 0 HB2 LYS A 68 -18.244 -3.292 -3.553 1.00 1.34 H new ATOM 0 HB3 LYS A 68 -17.223 -4.344 -2.593 1.00 1.34 H new ATOM 0 HG2 LYS A 68 -16.199 -2.331 -1.516 1.00 44.24 H new ATOM 0 HG3 LYS A 68 -17.275 -1.306 -2.445 1.00 44.24 H new ATOM 0 HD2 LYS A 68 -18.303 -1.576 -0.302 1.00 54.02 H new ATOM 0 HD3 LYS A 68 -19.234 -2.559 -1.415 1.00 54.02 H new ATOM 0 HE2 LYS A 68 -18.892 -3.895 0.540 1.00 33.20 H new ATOM 0 HE3 LYS A 68 -17.846 -4.557 -0.700 1.00 33.20 H new ATOM 0 HZ1 LYS A 68 -16.747 -4.325 1.462 1.00 42.23 H new ATOM 0 HZ2 LYS A 68 -15.972 -3.417 0.254 1.00 42.23 H new ATOM 0 HZ3 LYS A 68 -16.961 -2.642 1.396 1.00 42.23 H new ATOM 1002 N ILE A 69 -17.044 -1.624 -5.642 1.00 51.10 N ATOM 1003 CA ILE A 69 -17.172 -0.326 -6.268 1.00 51.15 C ATOM 1004 C ILE A 69 -18.583 0.183 -6.023 1.00 23.05 C ATOM 1005 O ILE A 69 -19.537 -0.303 -6.635 1.00 53.22 O ATOM 1006 CB ILE A 69 -16.903 -0.412 -7.784 1.00 33.23 C ATOM 1007 CG1 ILE A 69 -15.626 -1.218 -8.047 1.00 40.30 C ATOM 1008 CG2 ILE A 69 -16.783 0.985 -8.373 1.00 70.24 C ATOM 1009 CD1 ILE A 69 -15.404 -1.562 -9.501 1.00 30.55 C ATOM 0 H ILE A 69 -17.712 -2.317 -5.979 1.00 51.10 H new ATOM 0 HA ILE A 69 -16.438 0.356 -5.839 1.00 51.15 H new ATOM 0 HB ILE A 69 -17.739 -0.920 -8.265 1.00 33.23 H new ATOM 0 HG12 ILE A 69 -14.769 -0.650 -7.684 1.00 40.30 H new ATOM 0 HG13 ILE A 69 -15.666 -2.141 -7.468 1.00 40.30 H new ATOM 0 HG21 ILE A 69 -16.593 0.913 -9.444 1.00 70.24 H new ATOM 0 HG22 ILE A 69 -17.711 1.532 -8.205 1.00 70.24 H new ATOM 0 HG23 ILE A 69 -15.959 1.513 -7.893 1.00 70.24 H new ATOM 0 HD11 ILE A 69 -14.481 -2.132 -9.603 1.00 30.55 H new ATOM 0 HD12 ILE A 69 -16.241 -2.158 -9.866 1.00 30.55 H new ATOM 0 HD13 ILE A 69 -15.330 -0.644 -10.085 1.00 30.55 H new ATOM 1021 N LYS A 70 -18.726 1.134 -5.119 1.00 1.51 N ATOM 1022 CA LYS A 70 -20.044 1.511 -4.646 1.00 42.32 C ATOM 1023 C LYS A 70 -20.455 2.866 -5.188 1.00 50.04 C ATOM 1024 O LYS A 70 -19.772 3.872 -4.981 1.00 50.13 O ATOM 1025 CB LYS A 70 -20.058 1.503 -3.123 1.00 13.35 C ATOM 1026 CG LYS A 70 -21.401 1.824 -2.493 1.00 71.43 C ATOM 1027 CD LYS A 70 -21.310 1.699 -0.983 1.00 53.22 C ATOM 1028 CE LYS A 70 -22.546 2.227 -0.283 1.00 72.24 C ATOM 1029 NZ LYS A 70 -22.364 2.226 1.191 1.00 52.41 N ATOM 0 H LYS A 70 -17.955 1.655 -4.701 1.00 1.51 H new ATOM 0 HA LYS A 70 -20.770 0.785 -5.011 1.00 42.32 H new ATOM 0 HB2 LYS A 70 -19.736 0.521 -2.777 1.00 13.35 H new ATOM 0 HB3 LYS A 70 -19.323 2.224 -2.764 1.00 13.35 H new ATOM 0 HG2 LYS A 70 -21.707 2.834 -2.765 1.00 71.43 H new ATOM 0 HG3 LYS A 70 -22.163 1.146 -2.877 1.00 71.43 H new ATOM 0 HD2 LYS A 70 -21.164 0.652 -0.716 1.00 53.22 H new ATOM 0 HD3 LYS A 70 -20.435 2.243 -0.628 1.00 53.22 H new ATOM 0 HE2 LYS A 70 -22.758 3.240 -0.626 1.00 72.24 H new ATOM 0 HE3 LYS A 70 -23.408 1.614 -0.547 1.00 72.24 H new ATOM 0 HZ1 LYS A 70 -23.224 2.592 1.647 1.00 52.41 H new ATOM 0 HZ2 LYS A 70 -22.185 1.255 1.518 1.00 52.41 H new ATOM 0 HZ3 LYS A 70 -21.555 2.830 1.441 1.00 52.41 H new ATOM 1043 N ASP A 71 -21.575 2.871 -5.886 1.00 31.35 N ATOM 1044 CA ASP A 71 -22.109 4.074 -6.493 1.00 53.14 C ATOM 1045 C ASP A 71 -22.795 4.937 -5.446 1.00 21.24 C ATOM 1046 O ASP A 71 -23.656 4.460 -4.707 1.00 12.53 O ATOM 1047 CB ASP A 71 -23.112 3.710 -7.588 1.00 43.21 C ATOM 1048 CG ASP A 71 -22.473 3.037 -8.787 1.00 33.03 C ATOM 1049 OD1 ASP A 71 -22.256 1.804 -8.744 1.00 63.20 O ATOM 1050 OD2 ASP A 71 -22.208 3.732 -9.791 1.00 20.43 O ATOM 0 H ASP A 71 -22.141 2.038 -6.048 1.00 31.35 H new ATOM 0 HA ASP A 71 -21.282 4.634 -6.931 1.00 53.14 H new ATOM 0 HB2 ASP A 71 -23.871 3.048 -7.170 1.00 43.21 H new ATOM 0 HB3 ASP A 71 -23.624 4.614 -7.918 1.00 43.21 H new ATOM 1055 N LEU A 72 -22.413 6.200 -5.376 1.00 32.41 N ATOM 1056 CA LEU A 72 -23.037 7.135 -4.450 1.00 62.14 C ATOM 1057 C LEU A 72 -23.618 8.315 -5.214 1.00 4.21 C ATOM 1058 O LEU A 72 -23.553 8.364 -6.443 1.00 33.32 O ATOM 1059 CB LEU A 72 -22.019 7.627 -3.415 1.00 33.34 C ATOM 1060 CG LEU A 72 -21.388 6.535 -2.549 1.00 73.03 C ATOM 1061 CD1 LEU A 72 -20.295 7.116 -1.668 1.00 4.41 C ATOM 1062 CD2 LEU A 72 -22.446 5.846 -1.697 1.00 0.34 C ATOM 0 H LEU A 72 -21.673 6.604 -5.949 1.00 32.41 H new ATOM 0 HA LEU A 72 -23.842 6.620 -3.926 1.00 62.14 H new ATOM 0 HB2 LEU A 72 -21.223 8.159 -3.937 1.00 33.34 H new ATOM 0 HB3 LEU A 72 -22.510 8.348 -2.761 1.00 33.34 H new ATOM 0 HG LEU A 72 -20.941 5.793 -3.210 1.00 73.03 H new ATOM 0 HD11 LEU A 72 -19.858 6.324 -1.060 1.00 4.41 H new ATOM 0 HD12 LEU A 72 -19.521 7.561 -2.294 1.00 4.41 H new ATOM 0 HD13 LEU A 72 -20.720 7.881 -1.018 1.00 4.41 H new ATOM 0 HD21 LEU A 72 -21.977 5.073 -1.089 1.00 0.34 H new ATOM 0 HD22 LEU A 72 -22.924 6.579 -1.047 1.00 0.34 H new ATOM 0 HD23 LEU A 72 -23.196 5.392 -2.345 1.00 0.34 H new ATOM 1074 N GLU A 73 -24.179 9.266 -4.489 1.00 70.43 N ATOM 1075 CA GLU A 73 -24.766 10.442 -5.106 1.00 1.20 C ATOM 1076 C GLU A 73 -23.709 11.521 -5.316 1.00 22.33 C ATOM 1077 O GLU A 73 -23.295 12.193 -4.370 1.00 32.21 O ATOM 1078 CB GLU A 73 -25.913 10.985 -4.251 1.00 73.54 C ATOM 1079 CG GLU A 73 -26.553 12.241 -4.821 1.00 12.13 C ATOM 1080 CD GLU A 73 -27.751 12.700 -4.021 1.00 53.11 C ATOM 1081 OE1 GLU A 73 -27.561 13.306 -2.948 1.00 34.31 O ATOM 1082 OE2 GLU A 73 -28.893 12.465 -4.469 1.00 62.33 O ATOM 0 H GLU A 73 -24.241 9.247 -3.471 1.00 70.43 H new ATOM 0 HA GLU A 73 -25.166 10.152 -6.078 1.00 1.20 H new ATOM 0 HB2 GLU A 73 -26.676 10.213 -4.148 1.00 73.54 H new ATOM 0 HB3 GLU A 73 -25.539 11.200 -3.250 1.00 73.54 H new ATOM 0 HG2 GLU A 73 -25.812 13.040 -4.850 1.00 12.13 H new ATOM 0 HG3 GLU A 73 -26.859 12.053 -5.850 1.00 12.13 H new ATOM 1089 N GLY A 74 -23.254 11.653 -6.553 1.00 60.13 N ATOM 1090 CA GLY A 74 -22.284 12.681 -6.886 1.00 63.01 C ATOM 1091 C GLY A 74 -20.861 12.174 -6.801 1.00 22.13 C ATOM 1092 O GLY A 74 -19.915 12.894 -7.129 1.00 40.20 O ATOM 0 H GLY A 74 -23.539 11.065 -7.336 1.00 60.13 H new ATOM 0 HA2 GLY A 74 -22.478 13.048 -7.894 1.00 63.01 H new ATOM 0 HA3 GLY A 74 -22.407 13.527 -6.210 1.00 63.01 H new ATOM 1096 N GLN A 75 -20.712 10.931 -6.368 1.00 12.24 N ATOM 1097 CA GLN A 75 -19.403 10.314 -6.229 1.00 44.45 C ATOM 1098 C GLN A 75 -19.552 8.809 -6.090 1.00 42.14 C ATOM 1099 O GLN A 75 -20.663 8.294 -6.084 1.00 52.21 O ATOM 1100 CB GLN A 75 -18.661 10.876 -5.011 1.00 44.54 C ATOM 1101 CG GLN A 75 -19.410 10.703 -3.695 1.00 55.31 C ATOM 1102 CD GLN A 75 -18.618 11.211 -2.506 1.00 20.13 C ATOM 1103 OE1 GLN A 75 -17.805 12.127 -2.629 1.00 74.41 O ATOM 1104 NE2 GLN A 75 -18.859 10.627 -1.344 1.00 33.21 N ATOM 0 H GLN A 75 -21.490 10.326 -6.105 1.00 12.24 H new ATOM 0 HA GLN A 75 -18.821 10.540 -7.123 1.00 44.45 H new ATOM 0 HB2 GLN A 75 -17.690 10.386 -4.932 1.00 44.54 H new ATOM 0 HB3 GLN A 75 -18.471 11.937 -5.172 1.00 44.54 H new ATOM 0 HG2 GLN A 75 -20.360 11.235 -3.749 1.00 55.31 H new ATOM 0 HG3 GLN A 75 -19.643 9.648 -3.549 1.00 55.31 H new ATOM 0 HE21 GLN A 75 -19.541 9.871 -1.285 1.00 33.21 H new ATOM 0 HE22 GLN A 75 -18.363 10.933 -0.507 1.00 33.21 H new ATOM 1113 N VAL A 76 -18.436 8.112 -5.998 1.00 31.01 N ATOM 1114 CA VAL A 76 -18.436 6.680 -5.741 1.00 4.14 C ATOM 1115 C VAL A 76 -17.303 6.341 -4.789 1.00 15.44 C ATOM 1116 O VAL A 76 -16.306 7.062 -4.733 1.00 23.54 O ATOM 1117 CB VAL A 76 -18.262 5.854 -7.034 1.00 44.40 C ATOM 1118 CG1 VAL A 76 -19.437 6.053 -7.979 1.00 23.35 C ATOM 1119 CG2 VAL A 76 -16.954 6.208 -7.720 1.00 71.05 C ATOM 0 H VAL A 76 -17.506 8.518 -6.098 1.00 31.01 H new ATOM 0 HA VAL A 76 -19.402 6.426 -5.306 1.00 4.14 H new ATOM 0 HB VAL A 76 -18.234 4.800 -6.758 1.00 44.40 H new ATOM 0 HG11 VAL A 76 -19.284 5.458 -8.880 1.00 23.35 H new ATOM 0 HG12 VAL A 76 -20.357 5.737 -7.487 1.00 23.35 H new ATOM 0 HG13 VAL A 76 -19.513 7.106 -8.248 1.00 23.35 H new ATOM 0 HG21 VAL A 76 -16.848 5.616 -8.629 1.00 71.05 H new ATOM 0 HG22 VAL A 76 -16.952 7.268 -7.974 1.00 71.05 H new ATOM 0 HG23 VAL A 76 -16.122 5.994 -7.049 1.00 71.05 H new ATOM 1129 N GLU A 77 -17.445 5.263 -4.041 1.00 14.41 N ATOM 1130 CA GLU A 77 -16.374 4.835 -3.165 1.00 41.12 C ATOM 1131 C GLU A 77 -15.740 3.564 -3.702 1.00 61.50 C ATOM 1132 O GLU A 77 -16.422 2.587 -4.024 1.00 32.23 O ATOM 1133 CB GLU A 77 -16.859 4.642 -1.721 1.00 32.43 C ATOM 1134 CG GLU A 77 -17.818 3.485 -1.540 1.00 31.43 C ATOM 1135 CD GLU A 77 -18.375 3.387 -0.132 1.00 1.02 C ATOM 1136 OE1 GLU A 77 -19.415 4.020 0.149 1.00 2.30 O ATOM 1137 OE2 GLU A 77 -17.780 2.665 0.697 1.00 74.02 O ATOM 0 H GLU A 77 -18.279 4.676 -4.022 1.00 14.41 H new ATOM 0 HA GLU A 77 -15.621 5.623 -3.144 1.00 41.12 H new ATOM 0 HB2 GLU A 77 -15.994 4.487 -1.076 1.00 32.43 H new ATOM 0 HB3 GLU A 77 -17.345 5.559 -1.387 1.00 32.43 H new ATOM 0 HG2 GLU A 77 -18.643 3.592 -2.244 1.00 31.43 H new ATOM 0 HG3 GLU A 77 -17.306 2.555 -1.787 1.00 31.43 H new ATOM 1144 N LEU A 78 -14.435 3.610 -3.854 1.00 54.12 N ATOM 1145 CA LEU A 78 -13.678 2.446 -4.253 1.00 12.45 C ATOM 1146 C LEU A 78 -13.094 1.806 -3.009 1.00 25.43 C ATOM 1147 O LEU A 78 -12.209 2.371 -2.363 1.00 35.23 O ATOM 1148 CB LEU A 78 -12.580 2.836 -5.255 1.00 50.41 C ATOM 1149 CG LEU A 78 -11.877 1.679 -5.981 1.00 34.12 C ATOM 1150 CD1 LEU A 78 -10.843 1.009 -5.091 1.00 75.24 C ATOM 1151 CD2 LEU A 78 -12.892 0.658 -6.474 1.00 1.14 C ATOM 0 H LEU A 78 -13.873 4.448 -3.706 1.00 54.12 H new ATOM 0 HA LEU A 78 -14.327 1.728 -4.754 1.00 12.45 H new ATOM 0 HB2 LEU A 78 -13.020 3.493 -6.005 1.00 50.41 H new ATOM 0 HB3 LEU A 78 -11.825 3.417 -4.726 1.00 50.41 H new ATOM 0 HG LEU A 78 -11.356 2.099 -6.841 1.00 34.12 H new ATOM 0 HD11 LEU A 78 -10.366 0.195 -5.637 1.00 75.24 H new ATOM 0 HD12 LEU A 78 -10.089 1.739 -4.796 1.00 75.24 H new ATOM 0 HD13 LEU A 78 -11.331 0.611 -4.201 1.00 75.24 H new ATOM 0 HD21 LEU A 78 -12.373 -0.153 -6.985 1.00 1.14 H new ATOM 0 HD22 LEU A 78 -13.446 0.257 -5.625 1.00 1.14 H new ATOM 0 HD23 LEU A 78 -13.585 1.138 -7.165 1.00 1.14 H new ATOM 1163 N ASP A 79 -13.611 0.642 -2.675 1.00 65.52 N ATOM 1164 CA ASP A 79 -13.222 -0.052 -1.458 1.00 1.24 C ATOM 1165 C ASP A 79 -12.363 -1.255 -1.792 1.00 52.42 C ATOM 1166 O ASP A 79 -12.745 -2.086 -2.611 1.00 62.22 O ATOM 1167 CB ASP A 79 -14.463 -0.494 -0.671 1.00 2.45 C ATOM 1168 CG ASP A 79 -14.140 -1.471 0.447 1.00 72.21 C ATOM 1169 OD1 ASP A 79 -13.691 -1.030 1.526 1.00 51.34 O ATOM 1170 OD2 ASP A 79 -14.354 -2.685 0.261 1.00 13.54 O ATOM 0 H ASP A 79 -14.309 0.150 -3.233 1.00 65.52 H new ATOM 0 HA ASP A 79 -12.644 0.634 -0.840 1.00 1.24 H new ATOM 0 HB2 ASP A 79 -14.951 0.385 -0.249 1.00 2.45 H new ATOM 0 HB3 ASP A 79 -15.175 -0.956 -1.355 1.00 2.45 H new ATOM 1175 N ALA A 80 -11.197 -1.333 -1.176 1.00 14.25 N ATOM 1176 CA ALA A 80 -10.302 -2.452 -1.387 1.00 41.12 C ATOM 1177 C ALA A 80 -9.666 -2.888 -0.076 1.00 21.35 C ATOM 1178 O ALA A 80 -9.250 -2.058 0.729 1.00 65.22 O ATOM 1179 CB ALA A 80 -9.232 -2.084 -2.403 1.00 1.31 C ATOM 0 H ALA A 80 -10.849 -0.631 -0.523 1.00 14.25 H new ATOM 0 HA ALA A 80 -10.881 -3.289 -1.777 1.00 41.12 H new ATOM 0 HB1 ALA A 80 -8.565 -2.933 -2.553 1.00 1.31 H new ATOM 0 HB2 ALA A 80 -9.704 -1.822 -3.350 1.00 1.31 H new ATOM 0 HB3 ALA A 80 -8.658 -1.233 -2.035 1.00 1.31 H new ATOM 1185 N ALA A 81 -9.622 -4.187 0.147 1.00 64.34 N ATOM 1186 CA ALA A 81 -8.963 -4.740 1.317 1.00 54.52 C ATOM 1187 C ALA A 81 -8.088 -5.916 0.911 1.00 73.33 C ATOM 1188 O ALA A 81 -8.583 -7.020 0.678 1.00 14.41 O ATOM 1189 CB ALA A 81 -9.985 -5.163 2.360 1.00 2.42 C ATOM 0 H ALA A 81 -10.037 -4.884 -0.471 1.00 64.34 H new ATOM 0 HA ALA A 81 -8.331 -3.971 1.760 1.00 54.52 H new ATOM 0 HB1 ALA A 81 -9.470 -5.574 3.228 1.00 2.42 H new ATOM 0 HB2 ALA A 81 -10.574 -4.298 2.664 1.00 2.42 H new ATOM 0 HB3 ALA A 81 -10.645 -5.921 1.937 1.00 2.42 H new ATOM 1195 N PHE A 82 -6.794 -5.668 0.801 1.00 1.44 N ATOM 1196 CA PHE A 82 -5.850 -6.694 0.375 1.00 14.32 C ATOM 1197 C PHE A 82 -5.254 -7.397 1.582 1.00 10.11 C ATOM 1198 O PHE A 82 -4.511 -6.793 2.353 1.00 45.11 O ATOM 1199 CB PHE A 82 -4.711 -6.078 -0.448 1.00 14.23 C ATOM 1200 CG PHE A 82 -5.143 -5.371 -1.700 1.00 32.04 C ATOM 1201 CD1 PHE A 82 -5.564 -4.052 -1.658 1.00 1.42 C ATOM 1202 CD2 PHE A 82 -5.109 -6.021 -2.922 1.00 25.22 C ATOM 1203 CE1 PHE A 82 -5.946 -3.397 -2.812 1.00 71.01 C ATOM 1204 CE2 PHE A 82 -5.493 -5.372 -4.078 1.00 55.01 C ATOM 1205 CZ PHE A 82 -5.911 -4.057 -4.024 1.00 1.31 C ATOM 0 H PHE A 82 -6.369 -4.762 1.001 1.00 1.44 H new ATOM 0 HA PHE A 82 -6.394 -7.411 -0.240 1.00 14.32 H new ATOM 0 HB2 PHE A 82 -4.169 -5.372 0.181 1.00 14.23 H new ATOM 0 HB3 PHE A 82 -4.010 -6.868 -0.718 1.00 14.23 H new ATOM 0 HD1 PHE A 82 -5.594 -3.530 -0.713 1.00 1.42 H new ATOM 0 HD2 PHE A 82 -4.778 -7.048 -2.971 1.00 25.22 H new ATOM 0 HE1 PHE A 82 -6.272 -2.368 -2.766 1.00 71.01 H new ATOM 0 HE2 PHE A 82 -5.467 -5.892 -5.024 1.00 55.01 H new ATOM 0 HZ PHE A 82 -6.210 -3.546 -4.927 1.00 1.31 H new ATOM 1215 N THR A 83 -5.585 -8.664 1.743 1.00 31.05 N ATOM 1216 CA THR A 83 -5.007 -9.474 2.798 1.00 73.23 C ATOM 1217 C THR A 83 -3.809 -10.241 2.256 1.00 2.50 C ATOM 1218 O THR A 83 -3.960 -11.160 1.444 1.00 23.05 O ATOM 1219 CB THR A 83 -6.038 -10.458 3.381 1.00 4.21 C ATOM 1220 OG1 THR A 83 -7.185 -9.738 3.854 1.00 31.34 O ATOM 1221 CG2 THR A 83 -5.436 -11.263 4.524 1.00 74.32 C ATOM 0 H THR A 83 -6.255 -9.157 1.153 1.00 31.05 H new ATOM 0 HA THR A 83 -4.687 -8.809 3.600 1.00 73.23 H new ATOM 0 HB THR A 83 -6.337 -11.147 2.591 1.00 4.21 H new ATOM 0 HG1 THR A 83 -7.838 -10.369 4.222 1.00 31.34 H new ATOM 0 HG21 THR A 83 -6.184 -11.950 4.918 1.00 74.32 H new ATOM 0 HG22 THR A 83 -4.580 -11.830 4.158 1.00 74.32 H new ATOM 0 HG23 THR A 83 -5.112 -10.586 5.315 1.00 74.32 H new ATOM 1229 N PHE A 84 -2.625 -9.837 2.683 1.00 40.24 N ATOM 1230 CA PHE A 84 -1.391 -10.444 2.210 1.00 45.44 C ATOM 1231 C PHE A 84 -0.999 -11.619 3.098 1.00 12.22 C ATOM 1232 O PHE A 84 -1.562 -11.806 4.177 1.00 31.22 O ATOM 1233 CB PHE A 84 -0.261 -9.409 2.191 1.00 40.44 C ATOM 1234 CG PHE A 84 -0.535 -8.218 1.310 1.00 24.03 C ATOM 1235 CD1 PHE A 84 -0.170 -8.233 -0.027 1.00 44.21 C ATOM 1236 CD2 PHE A 84 -1.151 -7.087 1.822 1.00 71.54 C ATOM 1237 CE1 PHE A 84 -0.417 -7.141 -0.838 1.00 53.42 C ATOM 1238 CE2 PHE A 84 -1.399 -5.993 1.016 1.00 51.00 C ATOM 1239 CZ PHE A 84 -1.031 -6.020 -0.315 1.00 42.12 C ATOM 0 H PHE A 84 -2.491 -9.087 3.361 1.00 40.24 H new ATOM 0 HA PHE A 84 -1.556 -10.808 1.196 1.00 45.44 H new ATOM 0 HB2 PHE A 84 -0.083 -9.062 3.209 1.00 40.44 H new ATOM 0 HB3 PHE A 84 0.656 -9.893 1.855 1.00 40.44 H new ATOM 0 HD1 PHE A 84 0.312 -9.107 -0.440 1.00 44.21 H new ATOM 0 HD2 PHE A 84 -1.440 -7.061 2.862 1.00 71.54 H new ATOM 0 HE1 PHE A 84 -0.130 -7.165 -1.879 1.00 53.42 H new ATOM 0 HE2 PHE A 84 -1.880 -5.117 1.426 1.00 51.00 H new ATOM 0 HZ PHE A 84 -1.223 -5.165 -0.946 1.00 42.12 H new ATOM 1249 N SER A 85 -0.029 -12.401 2.643 1.00 74.41 N ATOM 1250 CA SER A 85 0.452 -13.544 3.403 1.00 54.31 C ATOM 1251 C SER A 85 1.357 -13.090 4.547 1.00 54.23 C ATOM 1252 O SER A 85 1.524 -13.792 5.545 1.00 2.53 O ATOM 1253 CB SER A 85 1.201 -14.496 2.470 1.00 31.42 C ATOM 1254 OG SER A 85 2.122 -13.779 1.662 1.00 4.34 O ATOM 0 H SER A 85 0.441 -12.263 1.748 1.00 74.41 H new ATOM 0 HA SER A 85 -0.400 -14.066 3.838 1.00 54.31 H new ATOM 0 HB2 SER A 85 1.731 -15.247 3.056 1.00 31.42 H new ATOM 0 HB3 SER A 85 0.491 -15.028 1.837 1.00 31.42 H new ATOM 0 HG SER A 85 2.594 -14.403 1.072 1.00 4.34 H new ATOM 1260 N CYS A 86 1.932 -11.904 4.394 1.00 34.40 N ATOM 1261 CA CYS A 86 2.803 -11.335 5.408 1.00 20.12 C ATOM 1262 C CYS A 86 2.550 -9.838 5.535 1.00 65.21 C ATOM 1263 O CYS A 86 2.103 -9.197 4.584 1.00 24.21 O ATOM 1264 CB CYS A 86 4.269 -11.594 5.050 1.00 22.22 C ATOM 1265 SG CYS A 86 4.676 -13.345 4.842 1.00 64.33 S ATOM 0 H CYS A 86 1.808 -11.316 3.570 1.00 34.40 H new ATOM 0 HA CYS A 86 2.587 -11.811 6.365 1.00 20.12 H new ATOM 0 HB2 CYS A 86 4.506 -11.064 4.128 1.00 22.22 H new ATOM 0 HB3 CYS A 86 4.903 -11.174 5.831 1.00 22.22 H new ATOM 0 HG CYS A 86 5.934 -13.465 4.539 1.00 64.33 H new ATOM 1271 N GLN A 87 2.839 -9.285 6.705 1.00 34.50 N ATOM 1272 CA GLN A 87 2.643 -7.861 6.948 1.00 32.43 C ATOM 1273 C GLN A 87 3.636 -7.034 6.141 1.00 14.43 C ATOM 1274 O GLN A 87 3.320 -5.928 5.701 1.00 31.21 O ATOM 1275 CB GLN A 87 2.782 -7.545 8.438 1.00 71.03 C ATOM 1276 CG GLN A 87 2.754 -6.058 8.755 1.00 61.22 C ATOM 1277 CD GLN A 87 2.689 -5.792 10.243 1.00 4.10 C ATOM 1278 OE1 GLN A 87 3.715 -5.644 10.904 1.00 4.41 O ATOM 1279 NE2 GLN A 87 1.483 -5.744 10.784 1.00 15.21 N ATOM 0 H GLN A 87 3.211 -9.801 7.502 1.00 34.50 H new ATOM 0 HA GLN A 87 1.634 -7.599 6.628 1.00 32.43 H new ATOM 0 HB2 GLN A 87 1.976 -8.038 8.981 1.00 71.03 H new ATOM 0 HB3 GLN A 87 3.718 -7.967 8.804 1.00 71.03 H new ATOM 0 HG2 GLN A 87 3.644 -5.583 8.341 1.00 61.22 H new ATOM 0 HG3 GLN A 87 1.893 -5.601 8.268 1.00 61.22 H new ATOM 0 HE21 GLN A 87 0.657 -5.872 10.200 1.00 15.21 H new ATOM 0 HE22 GLN A 87 1.379 -5.579 11.785 1.00 15.21 H new ATOM 1288 N ALA A 88 4.830 -7.577 5.945 1.00 12.13 N ATOM 1289 CA ALA A 88 5.852 -6.908 5.151 1.00 64.11 C ATOM 1290 C ALA A 88 5.334 -6.599 3.751 1.00 30.41 C ATOM 1291 O ALA A 88 5.582 -5.521 3.216 1.00 53.31 O ATOM 1292 CB ALA A 88 7.109 -7.757 5.082 1.00 51.40 C ATOM 0 H ALA A 88 5.115 -8.480 6.325 1.00 12.13 H new ATOM 0 HA ALA A 88 6.099 -5.964 5.636 1.00 64.11 H new ATOM 0 HB1 ALA A 88 7.863 -7.243 4.485 1.00 51.40 H new ATOM 0 HB2 ALA A 88 7.493 -7.921 6.089 1.00 51.40 H new ATOM 0 HB3 ALA A 88 6.875 -8.717 4.622 1.00 51.40 H new ATOM 1298 N GLU A 89 4.587 -7.542 3.182 1.00 4.32 N ATOM 1299 CA GLU A 89 4.000 -7.377 1.856 1.00 31.33 C ATOM 1300 C GLU A 89 3.013 -6.210 1.854 1.00 4.43 C ATOM 1301 O GLU A 89 2.862 -5.508 0.856 1.00 52.14 O ATOM 1302 CB GLU A 89 3.270 -8.658 1.437 1.00 61.23 C ATOM 1303 CG GLU A 89 4.082 -9.930 1.626 1.00 14.05 C ATOM 1304 CD GLU A 89 5.296 -9.998 0.727 1.00 35.05 C ATOM 1305 OE1 GLU A 89 6.362 -9.477 1.115 1.00 25.35 O ATOM 1306 OE2 GLU A 89 5.198 -10.590 -0.365 1.00 2.13 O ATOM 0 H GLU A 89 4.373 -8.436 3.624 1.00 4.32 H new ATOM 0 HA GLU A 89 4.803 -7.170 1.149 1.00 31.33 H new ATOM 0 HB2 GLU A 89 2.347 -8.741 2.011 1.00 61.23 H new ATOM 0 HB3 GLU A 89 2.986 -8.574 0.388 1.00 61.23 H new ATOM 0 HG2 GLU A 89 4.403 -9.998 2.665 1.00 14.05 H new ATOM 0 HG3 GLU A 89 3.445 -10.793 1.432 1.00 14.05 H new ATOM 1313 N MET A 90 2.352 -6.009 2.986 1.00 70.44 N ATOM 1314 CA MET A 90 1.371 -4.942 3.132 1.00 10.04 C ATOM 1315 C MET A 90 2.047 -3.577 3.124 1.00 12.22 C ATOM 1316 O MET A 90 1.674 -2.693 2.355 1.00 31.33 O ATOM 1317 CB MET A 90 0.584 -5.122 4.431 1.00 24.01 C ATOM 1318 CG MET A 90 -0.488 -4.066 4.649 1.00 61.55 C ATOM 1319 SD MET A 90 -1.233 -4.161 6.287 1.00 72.22 S ATOM 1320 CE MET A 90 0.150 -3.664 7.312 1.00 24.32 C ATOM 0 H MET A 90 2.479 -6.577 3.824 1.00 70.44 H new ATOM 0 HA MET A 90 0.686 -4.994 2.286 1.00 10.04 H new ATOM 0 HB2 MET A 90 0.116 -6.106 4.428 1.00 24.01 H new ATOM 0 HB3 MET A 90 1.278 -5.101 5.271 1.00 24.01 H new ATOM 0 HG2 MET A 90 -0.052 -3.077 4.509 1.00 61.55 H new ATOM 0 HG3 MET A 90 -1.265 -4.181 3.893 1.00 61.55 H new ATOM 0 HE1 MET A 90 0.206 -4.312 8.187 1.00 24.32 H new ATOM 0 HE2 MET A 90 1.074 -3.745 6.740 1.00 24.32 H new ATOM 0 HE3 MET A 90 0.012 -2.632 7.634 1.00 24.32 H new ATOM 1330 N ILE A 91 3.056 -3.417 3.974 1.00 65.33 N ATOM 1331 CA ILE A 91 3.731 -2.138 4.112 1.00 44.01 C ATOM 1332 C ILE A 91 4.528 -1.769 2.864 1.00 42.04 C ATOM 1333 O ILE A 91 4.522 -0.612 2.454 1.00 62.34 O ATOM 1334 CB ILE A 91 4.644 -2.084 5.358 1.00 51.52 C ATOM 1335 CG1 ILE A 91 5.315 -3.436 5.611 1.00 4.40 C ATOM 1336 CG2 ILE A 91 3.843 -1.648 6.576 1.00 10.24 C ATOM 1337 CD1 ILE A 91 6.387 -3.394 6.681 1.00 63.11 C ATOM 0 H ILE A 91 3.421 -4.156 4.574 1.00 65.33 H new ATOM 0 HA ILE A 91 2.939 -1.401 4.242 1.00 44.01 H new ATOM 0 HB ILE A 91 5.430 -1.352 5.173 1.00 51.52 H new ATOM 0 HG12 ILE A 91 4.554 -4.161 5.900 1.00 4.40 H new ATOM 0 HG13 ILE A 91 5.757 -3.792 4.680 1.00 4.40 H new ATOM 0 HG21 ILE A 91 4.496 -1.614 7.448 1.00 10.24 H new ATOM 0 HG22 ILE A 91 3.421 -0.659 6.399 1.00 10.24 H new ATOM 0 HG23 ILE A 91 3.037 -2.359 6.755 1.00 10.24 H new ATOM 0 HD11 ILE A 91 6.817 -4.388 6.805 1.00 63.11 H new ATOM 0 HD12 ILE A 91 7.169 -2.695 6.385 1.00 63.11 H new ATOM 0 HD13 ILE A 91 5.947 -3.069 7.624 1.00 63.11 H new ATOM 1349 N ILE A 92 5.199 -2.738 2.240 1.00 72.31 N ATOM 1350 CA ILE A 92 5.947 -2.449 1.021 1.00 4.03 C ATOM 1351 C ILE A 92 4.999 -2.024 -0.099 1.00 73.22 C ATOM 1352 O ILE A 92 5.354 -1.217 -0.955 1.00 25.54 O ATOM 1353 CB ILE A 92 6.828 -3.641 0.562 1.00 62.50 C ATOM 1354 CG1 ILE A 92 6.006 -4.909 0.306 1.00 25.52 C ATOM 1355 CG2 ILE A 92 7.915 -3.916 1.589 1.00 73.23 C ATOM 1356 CD1 ILE A 92 5.597 -5.091 -1.142 1.00 52.24 C ATOM 0 H ILE A 92 5.239 -3.708 2.551 1.00 72.31 H new ATOM 0 HA ILE A 92 6.623 -1.626 1.252 1.00 4.03 H new ATOM 0 HB ILE A 92 7.287 -3.358 -0.386 1.00 62.50 H new ATOM 0 HG12 ILE A 92 6.586 -5.776 0.622 1.00 25.52 H new ATOM 0 HG13 ILE A 92 5.110 -4.881 0.926 1.00 25.52 H new ATOM 0 HG21 ILE A 92 8.527 -4.754 1.256 1.00 73.23 H new ATOM 0 HG22 ILE A 92 8.542 -3.031 1.701 1.00 73.23 H new ATOM 0 HG23 ILE A 92 7.457 -4.160 2.548 1.00 73.23 H new ATOM 0 HD11 ILE A 92 5.019 -6.009 -1.244 1.00 52.24 H new ATOM 0 HD12 ILE A 92 4.990 -4.243 -1.458 1.00 52.24 H new ATOM 0 HD13 ILE A 92 6.488 -5.152 -1.767 1.00 52.24 H new ATOM 1368 N PHE A 93 3.782 -2.557 -0.056 1.00 41.21 N ATOM 1369 CA PHE A 93 2.754 -2.228 -1.031 1.00 4.42 C ATOM 1370 C PHE A 93 2.349 -0.763 -0.909 1.00 54.42 C ATOM 1371 O PHE A 93 2.367 -0.021 -1.892 1.00 42.13 O ATOM 1372 CB PHE A 93 1.542 -3.143 -0.813 1.00 43.00 C ATOM 1373 CG PHE A 93 0.416 -2.936 -1.783 1.00 31.03 C ATOM 1374 CD1 PHE A 93 0.559 -3.287 -3.115 1.00 71.44 C ATOM 1375 CD2 PHE A 93 -0.793 -2.404 -1.358 1.00 62.21 C ATOM 1376 CE1 PHE A 93 -0.477 -3.107 -4.007 1.00 40.54 C ATOM 1377 CE2 PHE A 93 -1.833 -2.223 -2.247 1.00 50.20 C ATOM 1378 CZ PHE A 93 -1.675 -2.576 -3.573 1.00 54.43 C ATOM 0 H PHE A 93 3.484 -3.226 0.654 1.00 41.21 H new ATOM 0 HA PHE A 93 3.147 -2.384 -2.036 1.00 4.42 H new ATOM 0 HB2 PHE A 93 1.871 -4.180 -0.876 1.00 43.00 H new ATOM 0 HB3 PHE A 93 1.165 -2.989 0.198 1.00 43.00 H new ATOM 0 HD1 PHE A 93 1.493 -3.707 -3.459 1.00 71.44 H new ATOM 0 HD2 PHE A 93 -0.921 -2.129 -0.322 1.00 62.21 H new ATOM 0 HE1 PHE A 93 -0.351 -3.381 -5.044 1.00 40.54 H new ATOM 0 HE2 PHE A 93 -2.769 -1.806 -1.906 1.00 50.20 H new ATOM 0 HZ PHE A 93 -2.488 -2.437 -4.270 1.00 54.43 H new ATOM 1388 N GLU A 94 2.019 -0.341 0.308 1.00 32.24 N ATOM 1389 CA GLU A 94 1.564 1.023 0.545 1.00 50.34 C ATOM 1390 C GLU A 94 2.708 2.030 0.426 1.00 41.14 C ATOM 1391 O GLU A 94 2.485 3.192 0.081 1.00 31.23 O ATOM 1392 CB GLU A 94 0.868 1.143 1.907 1.00 62.11 C ATOM 1393 CG GLU A 94 1.679 0.616 3.077 1.00 45.03 C ATOM 1394 CD GLU A 94 0.972 0.821 4.401 1.00 70.50 C ATOM 1395 OE1 GLU A 94 0.987 1.959 4.915 1.00 63.51 O ATOM 1396 OE2 GLU A 94 0.380 -0.145 4.920 1.00 40.41 O ATOM 0 H GLU A 94 2.058 -0.924 1.144 1.00 32.24 H new ATOM 0 HA GLU A 94 0.837 1.262 -0.231 1.00 50.34 H new ATOM 0 HB2 GLU A 94 0.631 2.191 2.089 1.00 62.11 H new ATOM 0 HB3 GLU A 94 -0.079 0.605 1.866 1.00 62.11 H new ATOM 0 HG2 GLU A 94 1.875 -0.446 2.932 1.00 45.03 H new ATOM 0 HG3 GLU A 94 2.646 1.118 3.102 1.00 45.03 H new ATOM 1403 N LEU A 95 3.930 1.592 0.713 1.00 43.11 N ATOM 1404 CA LEU A 95 5.101 2.444 0.537 1.00 4.22 C ATOM 1405 C LEU A 95 5.273 2.803 -0.935 1.00 13.24 C ATOM 1406 O LEU A 95 5.398 3.979 -1.281 1.00 42.33 O ATOM 1407 CB LEU A 95 6.370 1.764 1.065 1.00 51.53 C ATOM 1408 CG LEU A 95 6.439 1.592 2.585 1.00 20.20 C ATOM 1409 CD1 LEU A 95 7.736 0.906 2.989 1.00 41.44 C ATOM 1410 CD2 LEU A 95 6.305 2.936 3.286 1.00 12.33 C ATOM 0 H LEU A 95 4.135 0.657 1.067 1.00 43.11 H new ATOM 0 HA LEU A 95 4.943 3.356 1.113 1.00 4.22 H new ATOM 0 HB2 LEU A 95 6.455 0.781 0.601 1.00 51.53 H new ATOM 0 HB3 LEU A 95 7.234 2.345 0.742 1.00 51.53 H new ATOM 0 HG LEU A 95 5.606 0.961 2.894 1.00 20.20 H new ATOM 0 HD11 LEU A 95 7.766 0.793 4.073 1.00 41.44 H new ATOM 0 HD12 LEU A 95 7.789 -0.077 2.520 1.00 41.44 H new ATOM 0 HD13 LEU A 95 8.583 1.509 2.664 1.00 41.44 H new ATOM 0 HD21 LEU A 95 6.357 2.790 4.365 1.00 12.33 H new ATOM 0 HD22 LEU A 95 7.114 3.594 2.969 1.00 12.33 H new ATOM 0 HD23 LEU A 95 5.348 3.388 3.026 1.00 12.33 H new ATOM 1422 N SER A 96 5.262 1.789 -1.793 1.00 65.05 N ATOM 1423 CA SER A 96 5.346 2.002 -3.235 1.00 40.41 C ATOM 1424 C SER A 96 4.203 2.884 -3.736 1.00 34.11 C ATOM 1425 O SER A 96 4.413 3.764 -4.573 1.00 44.43 O ATOM 1426 CB SER A 96 5.335 0.661 -3.973 1.00 60.32 C ATOM 1427 OG SER A 96 6.501 -0.088 -3.680 1.00 42.22 O ATOM 0 H SER A 96 5.196 0.810 -1.515 1.00 65.05 H new ATOM 0 HA SER A 96 6.285 2.516 -3.440 1.00 40.41 H new ATOM 0 HB2 SER A 96 4.451 0.091 -3.687 1.00 60.32 H new ATOM 0 HB3 SER A 96 5.269 0.833 -5.047 1.00 60.32 H new ATOM 0 HG SER A 96 6.377 -0.569 -2.835 1.00 42.22 H new ATOM 1433 N LEU A 97 3.000 2.654 -3.212 1.00 4.01 N ATOM 1434 CA LEU A 97 1.837 3.456 -3.586 1.00 4.00 C ATOM 1435 C LEU A 97 2.096 4.931 -3.316 1.00 10.53 C ATOM 1436 O LEU A 97 1.896 5.778 -4.186 1.00 0.42 O ATOM 1437 CB LEU A 97 0.591 3.008 -2.816 1.00 62.53 C ATOM 1438 CG LEU A 97 0.133 1.570 -3.072 1.00 33.33 C ATOM 1439 CD1 LEU A 97 -1.131 1.272 -2.286 1.00 31.43 C ATOM 1440 CD2 LEU A 97 -0.094 1.334 -4.557 1.00 45.01 C ATOM 0 H LEU A 97 2.806 1.921 -2.529 1.00 4.01 H new ATOM 0 HA LEU A 97 1.663 3.310 -4.652 1.00 4.00 H new ATOM 0 HB2 LEU A 97 0.785 3.124 -1.750 1.00 62.53 H new ATOM 0 HB3 LEU A 97 -0.229 3.681 -3.066 1.00 62.53 H new ATOM 0 HG LEU A 97 0.919 0.893 -2.736 1.00 33.33 H new ATOM 0 HD11 LEU A 97 -1.445 0.246 -2.478 1.00 31.43 H new ATOM 0 HD12 LEU A 97 -0.936 1.399 -1.221 1.00 31.43 H new ATOM 0 HD13 LEU A 97 -1.921 1.957 -2.594 1.00 31.43 H new ATOM 0 HD21 LEU A 97 -0.419 0.306 -4.717 1.00 45.01 H new ATOM 0 HD22 LEU A 97 -0.861 2.018 -4.921 1.00 45.01 H new ATOM 0 HD23 LEU A 97 0.835 1.509 -5.099 1.00 45.01 H new ATOM 1452 N ARG A 98 2.568 5.228 -2.112 1.00 32.51 N ATOM 1453 CA ARG A 98 2.829 6.604 -1.712 1.00 23.04 C ATOM 1454 C ARG A 98 4.035 7.168 -2.449 1.00 42.01 C ATOM 1455 O ARG A 98 4.093 8.358 -2.724 1.00 12.23 O ATOM 1456 CB ARG A 98 3.045 6.697 -0.202 1.00 64.34 C ATOM 1457 CG ARG A 98 1.781 6.451 0.599 1.00 4.43 C ATOM 1458 CD ARG A 98 2.055 6.498 2.091 1.00 32.43 C ATOM 1459 NE ARG A 98 0.840 6.279 2.874 1.00 61.11 N ATOM 1460 CZ ARG A 98 0.603 5.179 3.589 1.00 74.34 C ATOM 1461 NH1 ARG A 98 1.478 4.180 3.593 1.00 31.34 N ATOM 1462 NH2 ARG A 98 -0.517 5.081 4.286 1.00 12.14 N ATOM 0 H ARG A 98 2.778 4.533 -1.395 1.00 32.51 H new ATOM 0 HA ARG A 98 1.955 7.199 -1.977 1.00 23.04 H new ATOM 0 HB2 ARG A 98 3.803 5.972 0.095 1.00 64.34 H new ATOM 0 HB3 ARG A 98 3.436 7.685 0.042 1.00 64.34 H new ATOM 0 HG2 ARG A 98 1.033 7.200 0.341 1.00 4.43 H new ATOM 0 HG3 ARG A 98 1.364 5.480 0.334 1.00 4.43 H new ATOM 0 HD2 ARG A 98 2.795 5.740 2.349 1.00 32.43 H new ATOM 0 HD3 ARG A 98 2.486 7.465 2.351 1.00 32.43 H new ATOM 0 HE ARG A 98 0.131 7.012 2.873 1.00 61.11 H new ATOM 0 HH11 ARG A 98 2.337 4.252 3.047 1.00 31.34 H new ATOM 0 HH12 ARG A 98 1.291 3.341 4.142 1.00 31.34 H new ATOM 0 HH21 ARG A 98 -1.193 5.844 4.274 1.00 12.14 H new ATOM 0 HH22 ARG A 98 -0.704 4.242 4.835 1.00 12.14 H new ATOM 1476 N SER A 99 4.989 6.305 -2.774 1.00 54.30 N ATOM 1477 CA SER A 99 6.178 6.722 -3.502 1.00 53.55 C ATOM 1478 C SER A 99 5.810 7.169 -4.918 1.00 63.13 C ATOM 1479 O SER A 99 6.467 8.031 -5.500 1.00 73.24 O ATOM 1480 CB SER A 99 7.195 5.580 -3.554 1.00 11.21 C ATOM 1481 OG SER A 99 8.430 6.013 -4.105 1.00 33.21 O ATOM 0 H SER A 99 4.962 5.312 -2.544 1.00 54.30 H new ATOM 0 HA SER A 99 6.626 7.566 -2.978 1.00 53.55 H new ATOM 0 HB2 SER A 99 7.359 5.191 -2.549 1.00 11.21 H new ATOM 0 HB3 SER A 99 6.795 4.761 -4.152 1.00 11.21 H new ATOM 0 HG SER A 99 9.060 5.263 -4.124 1.00 33.21 H new ATOM 1487 N LEU A 100 4.760 6.576 -5.461 1.00 33.22 N ATOM 1488 CA LEU A 100 4.283 6.926 -6.792 1.00 31.04 C ATOM 1489 C LEU A 100 3.325 8.106 -6.721 1.00 61.12 C ATOM 1490 O LEU A 100 3.473 9.090 -7.446 1.00 33.22 O ATOM 1491 CB LEU A 100 3.597 5.711 -7.427 1.00 40.43 C ATOM 1492 CG LEU A 100 3.072 5.904 -8.855 1.00 12.22 C ATOM 1493 CD1 LEU A 100 3.146 4.593 -9.623 1.00 52.40 C ATOM 1494 CD2 LEU A 100 1.635 6.411 -8.845 1.00 54.20 C ATOM 0 H LEU A 100 4.218 5.846 -4.999 1.00 33.22 H new ATOM 0 HA LEU A 100 5.132 7.217 -7.411 1.00 31.04 H new ATOM 0 HB2 LEU A 100 4.303 4.881 -7.430 1.00 40.43 H new ATOM 0 HB3 LEU A 100 2.762 5.417 -6.791 1.00 40.43 H new ATOM 0 HG LEU A 100 3.699 6.648 -9.347 1.00 12.22 H new ATOM 0 HD11 LEU A 100 2.771 4.743 -10.635 1.00 52.40 H new ATOM 0 HD12 LEU A 100 4.181 4.255 -9.666 1.00 52.40 H new ATOM 0 HD13 LEU A 100 2.539 3.841 -9.119 1.00 52.40 H new ATOM 0 HD21 LEU A 100 1.287 6.539 -9.870 1.00 54.20 H new ATOM 0 HD22 LEU A 100 0.998 5.689 -8.333 1.00 54.20 H new ATOM 0 HD23 LEU A 100 1.590 7.368 -8.324 1.00 54.20 H new ATOM 1506 N ALA A 101 2.355 8.004 -5.827 1.00 52.43 N ATOM 1507 CA ALA A 101 1.321 9.018 -5.686 1.00 43.51 C ATOM 1508 C ALA A 101 1.781 10.168 -4.791 1.00 11.24 C ATOM 1509 O ALA A 101 0.960 10.819 -4.144 1.00 53.13 O ATOM 1510 CB ALA A 101 0.057 8.380 -5.125 1.00 20.22 C ATOM 0 H ALA A 101 2.262 7.220 -5.181 1.00 52.43 H new ATOM 0 HA ALA A 101 1.112 9.435 -6.671 1.00 43.51 H new ATOM 0 HB1 ALA A 101 -0.718 9.139 -5.019 1.00 20.22 H new ATOM 0 HB2 ALA A 101 -0.289 7.600 -5.804 1.00 20.22 H new ATOM 0 HB3 ALA A 101 0.272 7.943 -4.150 1.00 20.22 H new ATOM 1516 N LEU A 102 3.091 10.416 -4.764 1.00 50.13 N ATOM 1517 CA LEU A 102 3.648 11.528 -3.995 1.00 12.34 C ATOM 1518 C LEU A 102 3.023 12.857 -4.409 1.00 12.45 C ATOM 1519 O LEU A 102 2.237 13.443 -3.659 1.00 4.40 O ATOM 1520 CB LEU A 102 5.168 11.614 -4.181 1.00 55.33 C ATOM 1521 CG LEU A 102 5.999 10.614 -3.378 1.00 25.50 C ATOM 1522 CD1 LEU A 102 7.464 10.698 -3.778 1.00 54.24 C ATOM 1523 CD2 LEU A 102 5.849 10.872 -1.887 1.00 33.44 C ATOM 0 H LEU A 102 3.785 9.862 -5.266 1.00 50.13 H new ATOM 0 HA LEU A 102 3.419 11.338 -2.946 1.00 12.34 H new ATOM 0 HB2 LEU A 102 5.393 11.477 -5.239 1.00 55.33 H new ATOM 0 HB3 LEU A 102 5.490 12.621 -3.915 1.00 55.33 H new ATOM 0 HG LEU A 102 5.633 9.611 -3.597 1.00 25.50 H new ATOM 0 HD11 LEU A 102 8.042 9.979 -3.197 1.00 54.24 H new ATOM 0 HD12 LEU A 102 7.565 10.471 -4.839 1.00 54.24 H new ATOM 0 HD13 LEU A 102 7.837 11.704 -3.585 1.00 54.24 H new ATOM 0 HD21 LEU A 102 6.448 10.151 -1.331 1.00 33.44 H new ATOM 0 HD22 LEU A 102 6.190 11.881 -1.656 1.00 33.44 H new ATOM 0 HD23 LEU A 102 4.802 10.769 -1.604 1.00 33.44 H new ATOM 1535 N GLU A 103 3.377 13.308 -5.616 1.00 43.14 N ATOM 1536 CA GLU A 103 2.981 14.621 -6.135 1.00 71.54 C ATOM 1537 C GLU A 103 3.571 15.754 -5.292 1.00 63.01 C ATOM 1538 O GLU A 103 4.395 16.535 -5.769 1.00 63.22 O ATOM 1539 CB GLU A 103 1.458 14.756 -6.224 1.00 34.23 C ATOM 1540 CG GLU A 103 0.828 13.844 -7.264 1.00 41.04 C ATOM 1541 CD GLU A 103 -0.618 14.194 -7.538 1.00 43.12 C ATOM 1542 OE1 GLU A 103 -0.867 15.242 -8.173 1.00 0.13 O ATOM 1543 OE2 GLU A 103 -1.514 13.425 -7.129 1.00 40.33 O ATOM 0 H GLU A 103 3.950 12.769 -6.265 1.00 43.14 H new ATOM 0 HA GLU A 103 3.385 14.701 -7.144 1.00 71.54 H new ATOM 0 HB2 GLU A 103 1.024 14.536 -5.249 1.00 34.23 H new ATOM 0 HB3 GLU A 103 1.206 15.790 -6.459 1.00 34.23 H new ATOM 0 HG2 GLU A 103 1.397 13.908 -8.192 1.00 41.04 H new ATOM 0 HG3 GLU A 103 0.890 12.811 -6.923 1.00 41.04 H new ATOM 1550 N HIS A 104 3.151 15.831 -4.037 1.00 45.11 N ATOM 1551 CA HIS A 104 3.666 16.820 -3.108 1.00 62.01 C ATOM 1552 C HIS A 104 4.515 16.140 -2.036 1.00 10.41 C ATOM 1553 O HIS A 104 3.997 15.556 -1.086 1.00 52.11 O ATOM 1554 CB HIS A 104 2.521 17.647 -2.484 1.00 64.41 C ATOM 1555 CG HIS A 104 1.384 16.842 -1.909 1.00 4.35 C ATOM 1556 ND1 HIS A 104 0.248 16.524 -2.625 1.00 73.51 N ATOM 1557 CD2 HIS A 104 1.201 16.314 -0.673 1.00 64.14 C ATOM 1558 CE1 HIS A 104 -0.575 15.831 -1.860 1.00 33.31 C ATOM 1559 NE2 HIS A 104 -0.021 15.693 -0.671 1.00 73.02 N ATOM 0 H HIS A 104 2.446 15.211 -3.638 1.00 45.11 H new ATOM 0 HA HIS A 104 4.302 17.515 -3.656 1.00 62.01 H new ATOM 0 HB2 HIS A 104 2.936 18.274 -1.695 1.00 64.41 H new ATOM 0 HB3 HIS A 104 2.122 18.316 -3.246 1.00 64.41 H new ATOM 0 HD2 HIS A 104 1.891 16.372 0.156 1.00 64.14 H new ATOM 0 HE1 HIS A 104 -1.538 15.443 -2.157 1.00 33.31 H new ATOM 0 HE2 HIS A 104 -0.435 15.203 0.122 1.00 73.02 H new ATOM 1568 N HIS A 105 5.826 16.179 -2.226 1.00 51.12 N ATOM 1569 CA HIS A 105 6.755 15.598 -1.262 1.00 72.32 C ATOM 1570 C HIS A 105 6.848 16.486 -0.019 1.00 71.21 C ATOM 1571 O HIS A 105 7.700 17.371 0.081 1.00 75.35 O ATOM 1572 CB HIS A 105 8.142 15.358 -1.894 1.00 2.33 C ATOM 1573 CG HIS A 105 8.823 16.588 -2.432 1.00 63.23 C ATOM 1574 ND1 HIS A 105 10.105 16.949 -2.083 1.00 75.33 N ATOM 1575 CD2 HIS A 105 8.398 17.531 -3.306 1.00 24.13 C ATOM 1576 CE1 HIS A 105 10.436 18.060 -2.712 1.00 53.53 C ATOM 1577 NE2 HIS A 105 9.418 18.434 -3.462 1.00 24.55 N ATOM 0 H HIS A 105 6.272 16.606 -3.038 1.00 51.12 H new ATOM 0 HA HIS A 105 6.373 14.624 -0.957 1.00 72.32 H new ATOM 0 HB2 HIS A 105 8.790 14.901 -1.146 1.00 2.33 H new ATOM 0 HB3 HIS A 105 8.034 14.638 -2.705 1.00 2.33 H new ATOM 0 HD2 HIS A 105 7.434 17.565 -3.791 1.00 24.13 H new ATOM 0 HE1 HIS A 105 11.381 18.576 -2.627 1.00 53.53 H new ATOM 0 HE2 HIS A 105 9.393 19.260 -4.060 1.00 24.55 H new ATOM 1586 N HIS A 106 5.946 16.253 0.918 1.00 41.12 N ATOM 1587 CA HIS A 106 5.811 17.122 2.073 1.00 5.32 C ATOM 1588 C HIS A 106 5.716 16.304 3.354 1.00 73.21 C ATOM 1589 O HIS A 106 4.686 15.689 3.631 1.00 0.24 O ATOM 1590 CB HIS A 106 4.558 17.986 1.910 1.00 71.00 C ATOM 1591 CG HIS A 106 4.496 19.177 2.822 1.00 61.43 C ATOM 1592 ND1 HIS A 106 3.869 19.165 4.050 1.00 1.34 N ATOM 1593 CD2 HIS A 106 4.966 20.435 2.658 1.00 34.34 C ATOM 1594 CE1 HIS A 106 3.953 20.365 4.597 1.00 32.15 C ATOM 1595 NE2 HIS A 106 4.615 21.155 3.773 1.00 23.11 N ATOM 0 H HIS A 106 5.295 15.468 0.901 1.00 41.12 H new ATOM 0 HA HIS A 106 6.692 17.761 2.141 1.00 5.32 H new ATOM 0 HB2 HIS A 106 4.503 18.332 0.878 1.00 71.00 H new ATOM 0 HB3 HIS A 106 3.679 17.365 2.085 1.00 71.00 H new ATOM 0 HD1 HIS A 106 3.412 18.356 4.471 1.00 1.34 H new ATOM 0 HD2 HIS A 106 5.517 20.805 1.806 1.00 34.34 H new ATOM 0 HE1 HIS A 106 3.548 20.651 5.557 1.00 32.15 H new ATOM 1604 N HIS A 107 6.796 16.276 4.119 1.00 24.01 N ATOM 1605 CA HIS A 107 6.792 15.636 5.429 1.00 55.43 C ATOM 1606 C HIS A 107 6.851 16.706 6.510 1.00 62.43 C ATOM 1607 O HIS A 107 7.857 16.842 7.207 1.00 2.22 O ATOM 1608 CB HIS A 107 7.967 14.663 5.580 1.00 32.24 C ATOM 1609 CG HIS A 107 7.872 13.455 4.695 1.00 24.31 C ATOM 1610 ND1 HIS A 107 8.964 12.706 4.323 1.00 54.43 N ATOM 1611 CD2 HIS A 107 6.799 12.860 4.119 1.00 15.53 C ATOM 1612 CE1 HIS A 107 8.573 11.707 3.558 1.00 42.24 C ATOM 1613 NE2 HIS A 107 7.262 11.776 3.418 1.00 13.34 N ATOM 0 H HIS A 107 7.690 16.690 3.856 1.00 24.01 H new ATOM 0 HA HIS A 107 5.873 15.059 5.531 1.00 55.43 H new ATOM 0 HB2 HIS A 107 8.894 15.191 5.359 1.00 32.24 H new ATOM 0 HB3 HIS A 107 8.025 14.337 6.619 1.00 32.24 H new ATOM 0 HD2 HIS A 107 5.771 13.180 4.197 1.00 15.53 H new ATOM 0 HE1 HIS A 107 9.216 10.958 3.120 1.00 42.24 H new ATOM 0 HE2 HIS A 107 6.688 11.129 2.877 1.00 13.34 H new ATOM 1622 N HIS A 108 5.765 17.475 6.610 1.00 2.23 N ATOM 1623 CA HIS A 108 5.675 18.629 7.510 1.00 25.32 C ATOM 1624 C HIS A 108 6.629 19.736 7.078 1.00 30.02 C ATOM 1625 O HIS A 108 7.455 19.550 6.184 1.00 62.41 O ATOM 1626 CB HIS A 108 5.922 18.229 8.967 1.00 0.11 C ATOM 1627 CG HIS A 108 4.785 17.464 9.569 1.00 12.21 C ATOM 1628 ND1 HIS A 108 4.919 16.201 10.103 1.00 2.23 N ATOM 1629 CD2 HIS A 108 3.481 17.794 9.714 1.00 32.31 C ATOM 1630 CE1 HIS A 108 3.747 15.788 10.545 1.00 11.31 C ATOM 1631 NE2 HIS A 108 2.859 16.734 10.323 1.00 34.40 N ATOM 0 H HIS A 108 4.917 17.314 6.066 1.00 2.23 H new ATOM 0 HA HIS A 108 4.658 19.015 7.445 1.00 25.32 H new ATOM 0 HB2 HIS A 108 6.828 17.625 9.023 1.00 0.11 H new ATOM 0 HB3 HIS A 108 6.101 19.127 9.558 1.00 0.11 H new ATOM 0 HD2 HIS A 108 3.016 18.720 9.407 1.00 32.31 H new ATOM 0 HE1 HIS A 108 3.549 14.834 11.011 1.00 11.31 H new ATOM 0 HE2 HIS A 108 1.869 16.686 10.565 1.00 34.40 H new ATOM 1640 N HIS A 109 6.493 20.901 7.686 1.00 51.25 N ATOM 1641 CA HIS A 109 7.304 22.044 7.314 1.00 44.31 C ATOM 1642 C HIS A 109 7.429 23.003 8.489 1.00 71.24 C ATOM 1643 O HIS A 109 6.515 23.831 8.682 1.00 36.61 O ATOM 1644 CB HIS A 109 6.683 22.754 6.106 1.00 40.44 C ATOM 1645 CG HIS A 109 7.582 23.751 5.444 1.00 71.20 C ATOM 1646 ND1 HIS A 109 8.351 23.447 4.341 1.00 0.01 N ATOM 1647 CD2 HIS A 109 7.812 25.059 5.710 1.00 11.34 C ATOM 1648 CE1 HIS A 109 9.014 24.520 3.959 1.00 13.41 C ATOM 1649 NE2 HIS A 109 8.704 25.511 4.771 1.00 23.51 N ATOM 1650 OXT HIS A 109 8.434 22.921 9.215 1.00 36.61 O ATOM 0 H HIS A 109 5.829 21.079 8.439 1.00 51.25 H new ATOM 0 HA HIS A 109 8.302 21.699 7.042 1.00 44.31 H new ATOM 0 HB2 HIS A 109 6.389 22.004 5.371 1.00 40.44 H new ATOM 0 HB3 HIS A 109 5.773 23.261 6.426 1.00 40.44 H new ATOM 0 HD2 HIS A 109 7.375 25.637 6.511 1.00 11.34 H new ATOM 0 HE1 HIS A 109 9.695 24.578 3.123 1.00 13.41 H new ATOM 0 HE2 HIS A 109 9.069 26.462 4.711 1.00 23.51 H new TER 1659 HIS A 109