USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 919 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 69 ASN : amide:sc= 1.82 X(o=2.6,f=2.2) USER MOD Set 1.2: A 75 SER OG : rot 150:sc= 0.795 USER MOD Set 2.1: A 53 THR OG1 : rot 76:sc= 1.11 USER MOD Set 2.2: A 91 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 37 CYS SG : rot 180:sc= -5.7! USER MOD Set 3.2: A 109 SER OG : rot 136:sc= 0.0247 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 148:sc= 0.458 (180deg=-0.0582!) USER MOD Single : A 3 HIS : no HD1:sc= -0.471 K(o=-0.47,f=0.049) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HE2:sc= -0.614 K(o=-0.61,f=-3.6!) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 33:sc= 0.131 USER MOD Single : A 15 GLN : amide:sc= -0.311 K(o=-0.31,f=-1.9!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -1.09 K(o=-1.1,f=-1.7) USER MOD Single : A 21 SER OG : rot 49:sc= 0.197 USER MOD Single : A 22 MET CE :methyl 166:sc= 0 (180deg=-0.176) USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 161:sc= -0.14 (180deg=-0.601) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 163:sc= 0.485 USER MOD Single : A 30 SER OG : rot 180:sc= 0.014 USER MOD Single : A 34 THR OG1 : rot -117:sc= -0.722 USER MOD Single : A 35 THR OG1 : rot 117:sc= -0.784 USER MOD Single : A 38 TYR OH : rot -57:sc= -1.68! USER MOD Single : A 41 THR OG1 : rot -160:sc= -1.43! USER MOD Single : A 43 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0263) USER MOD Single : A 45 GLN : amide:sc= -0.0691 K(o=-0.069,f=-0.6) USER MOD Single : A 51 LYS NZ :NH3+ 173:sc=-0.00707 (180deg=-0.098) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 166:sc= -0.954 (180deg=-1.39) USER MOD Single : A 55 LYS NZ :NH3+ 167:sc= -0.0333 (180deg=-0.241) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= -0.0268 USER MOD Single : A 67 THR OG1 : rot 180:sc= -4.2! USER MOD Single : A 68 ASN : amide:sc= -1.76! C(o=-1.8!,f=-5.6!) USER MOD Single : A 73 SER OG : rot 26:sc= 1.36 USER MOD Single : A 79 GLN : amide:sc= -0.996 K(o=-1,f=-4.5!) USER MOD Single : A 82 LYS NZ :NH3+ 161:sc= -0.127 (180deg=-0.558) USER MOD Single : A 84 GLN : amide:sc= -3.65! C(o=-3.7!,f=-6.8!) USER MOD Single : A 90 LYS NZ :NH3+ -145:sc= 1.25 (180deg=0.31) USER MOD Single : A 93 HIS : no HD1:sc= -0.289 X(o=-0.29,f=-0.62) USER MOD Single : A 94 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0242) USER MOD Single : A 96 SER OG : rot 4:sc= 0.403 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= -0.0182 USER MOD Single : A 102 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00799) USER MOD Single : A 103 LYS NZ :NH3+ -164:sc= -0.0138 (180deg=-0.293) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -0.332 X(o=-0.33,f=0.027) USER MOD Single : A 110 SER OG : rot 180:sc= 0.034 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 27.045 -79.955 -30.106 1.00 52.12 N ATOM 2 CA MET A 1 25.749 -79.278 -30.341 1.00 51.22 C ATOM 3 C MET A 1 24.629 -80.304 -30.447 1.00 31.51 C ATOM 4 O MET A 1 24.885 -81.505 -30.577 1.00 43.23 O ATOM 5 CB MET A 1 25.808 -78.429 -31.619 1.00 33.04 C ATOM 6 CG MET A 1 26.820 -77.294 -31.550 1.00 72.33 C ATOM 7 SD MET A 1 28.499 -77.885 -31.266 1.00 4.50 S ATOM 8 CE MET A 1 29.389 -76.336 -31.126 1.00 20.10 C ATOM 0 H1 MET A 1 27.809 -79.407 -30.551 1.00 52.12 H new ATOM 0 H2 MET A 1 27.220 -80.025 -29.083 1.00 52.12 H new ATOM 0 H3 MET A 1 27.018 -80.909 -30.519 1.00 52.12 H new ATOM 0 HA MET A 1 25.547 -78.620 -29.496 1.00 51.22 H new ATOM 0 HB2 MET A 1 26.055 -79.074 -32.463 1.00 33.04 H new ATOM 0 HB3 MET A 1 24.820 -78.012 -31.814 1.00 33.04 H new ATOM 0 HG2 MET A 1 26.790 -76.727 -32.481 1.00 72.33 H new ATOM 0 HG3 MET A 1 26.539 -76.609 -30.750 1.00 72.33 H new ATOM 0 HE1 MET A 1 30.445 -76.538 -30.948 1.00 20.10 H new ATOM 0 HE2 MET A 1 29.279 -75.768 -32.050 1.00 20.10 H new ATOM 0 HE3 MET A 1 28.985 -75.758 -30.295 1.00 20.10 H new ATOM 20 N ALA A 2 23.388 -79.828 -30.394 1.00 23.30 N ATOM 21 CA ALA A 2 22.226 -80.701 -30.488 1.00 11.25 C ATOM 22 C ALA A 2 21.979 -81.102 -31.940 1.00 62.11 C ATOM 23 O ALA A 2 21.371 -80.358 -32.708 1.00 12.45 O ATOM 24 CB ALA A 2 20.994 -80.021 -29.893 1.00 63.04 C ATOM 0 H ALA A 2 23.163 -78.839 -30.286 1.00 23.30 H new ATOM 0 HA ALA A 2 22.423 -81.606 -29.913 1.00 11.25 H new ATOM 0 HB1 ALA A 2 20.136 -80.689 -29.972 1.00 63.04 H new ATOM 0 HB2 ALA A 2 21.177 -79.789 -28.844 1.00 63.04 H new ATOM 0 HB3 ALA A 2 20.788 -79.100 -30.438 1.00 63.04 H new ATOM 30 N HIS A 3 22.484 -82.272 -32.315 1.00 20.45 N ATOM 31 CA HIS A 3 22.335 -82.783 -33.676 1.00 41.31 C ATOM 32 C HIS A 3 21.384 -83.982 -33.663 1.00 14.54 C ATOM 33 O HIS A 3 21.489 -84.894 -34.487 1.00 61.24 O ATOM 34 CB HIS A 3 23.715 -83.172 -34.236 1.00 23.32 C ATOM 35 CG HIS A 3 23.792 -83.163 -35.738 1.00 30.41 C ATOM 36 ND1 HIS A 3 24.565 -82.263 -36.443 1.00 73.03 N ATOM 37 CD2 HIS A 3 23.194 -83.945 -36.668 1.00 73.32 C ATOM 38 CE1 HIS A 3 24.434 -82.491 -37.736 1.00 11.32 C ATOM 39 NE2 HIS A 3 23.609 -83.507 -37.898 1.00 30.43 N ATOM 0 H HIS A 3 23.004 -82.890 -31.692 1.00 20.45 H new ATOM 0 HA HIS A 3 21.912 -82.013 -34.322 1.00 41.31 H new ATOM 0 HB2 HIS A 3 24.463 -82.485 -33.840 1.00 23.32 H new ATOM 0 HB3 HIS A 3 23.974 -84.167 -33.875 1.00 23.32 H new ATOM 0 HD2 HIS A 3 22.515 -84.763 -36.476 1.00 73.32 H new ATOM 0 HE1 HIS A 3 24.920 -81.939 -38.527 1.00 11.32 H new ATOM 0 HE2 HIS A 3 23.326 -83.903 -38.794 1.00 30.43 H new ATOM 48 N HIS A 4 20.451 -83.964 -32.712 1.00 51.22 N ATOM 49 CA HIS A 4 19.458 -85.026 -32.561 1.00 51.34 C ATOM 50 C HIS A 4 18.059 -84.433 -32.420 1.00 0.14 C ATOM 51 O HIS A 4 17.687 -83.946 -31.351 1.00 74.33 O ATOM 52 CB HIS A 4 19.773 -85.902 -31.336 1.00 24.43 C ATOM 53 CG HIS A 4 20.849 -86.920 -31.567 1.00 72.12 C ATOM 54 ND1 HIS A 4 22.181 -86.699 -31.284 1.00 51.04 N ATOM 55 CD2 HIS A 4 20.774 -88.184 -32.040 1.00 71.54 C ATOM 56 CE1 HIS A 4 22.874 -87.784 -31.575 1.00 1.32 C ATOM 57 NE2 HIS A 4 22.045 -88.697 -32.033 1.00 72.33 N ATOM 0 H HIS A 4 20.362 -83.214 -32.026 1.00 51.22 H new ATOM 0 HA HIS A 4 19.495 -85.648 -33.456 1.00 51.34 H new ATOM 0 HB2 HIS A 4 20.071 -85.257 -30.509 1.00 24.43 H new ATOM 0 HB3 HIS A 4 18.863 -86.416 -31.028 1.00 24.43 H new ATOM 0 HD2 HIS A 4 19.879 -88.695 -32.363 1.00 71.54 H new ATOM 0 HE1 HIS A 4 23.941 -87.902 -31.457 1.00 1.32 H new ATOM 0 HE2 HIS A 4 22.306 -89.636 -32.334 1.00 72.33 H new ATOM 66 N HIS A 5 17.295 -84.457 -33.507 1.00 1.20 N ATOM 67 CA HIS A 5 15.903 -84.019 -33.480 1.00 3.11 C ATOM 68 C HIS A 5 15.036 -85.107 -32.856 1.00 72.12 C ATOM 69 O HIS A 5 15.334 -86.294 -32.989 1.00 25.44 O ATOM 70 CB HIS A 5 15.398 -83.699 -34.895 1.00 71.20 C ATOM 71 CG HIS A 5 16.072 -82.521 -35.524 1.00 35.25 C ATOM 72 ND1 HIS A 5 16.669 -82.566 -36.765 1.00 61.31 N ATOM 73 CD2 HIS A 5 16.231 -81.253 -35.079 1.00 64.31 C ATOM 74 CE1 HIS A 5 17.167 -81.381 -37.054 1.00 14.53 C ATOM 75 NE2 HIS A 5 16.914 -80.568 -36.048 1.00 10.22 N ATOM 0 H HIS A 5 17.617 -84.776 -34.421 1.00 1.20 H new ATOM 0 HA HIS A 5 15.839 -83.110 -32.881 1.00 3.11 H new ATOM 0 HB2 HIS A 5 15.546 -84.573 -35.530 1.00 71.20 H new ATOM 0 HB3 HIS A 5 14.325 -83.513 -34.854 1.00 71.20 H new ATOM 0 HD2 HIS A 5 15.884 -80.856 -34.136 1.00 64.31 H new ATOM 0 HE1 HIS A 5 17.693 -81.120 -37.961 1.00 14.53 H new ATOM 0 HE2 HIS A 5 17.184 -79.586 -35.999 1.00 10.22 H new ATOM 84 N HIS A 6 13.968 -84.705 -32.177 1.00 74.41 N ATOM 85 CA HIS A 6 13.073 -85.653 -31.519 1.00 62.44 C ATOM 86 C HIS A 6 11.723 -85.000 -31.246 1.00 42.35 C ATOM 87 O HIS A 6 11.664 -83.850 -30.810 1.00 32.12 O ATOM 88 CB HIS A 6 13.693 -86.176 -30.212 1.00 4.33 C ATOM 89 CG HIS A 6 14.056 -85.104 -29.224 1.00 54.12 C ATOM 90 ND1 HIS A 6 15.343 -84.645 -29.052 1.00 25.22 N ATOM 91 CD2 HIS A 6 13.294 -84.408 -28.347 1.00 51.05 C ATOM 92 CE1 HIS A 6 15.354 -83.715 -28.115 1.00 34.00 C ATOM 93 NE2 HIS A 6 14.124 -83.552 -27.669 1.00 2.42 N ATOM 0 H HIS A 6 13.699 -83.727 -32.067 1.00 74.41 H new ATOM 0 HA HIS A 6 12.923 -86.503 -32.185 1.00 62.44 H new ATOM 0 HB2 HIS A 6 12.991 -86.864 -29.741 1.00 4.33 H new ATOM 0 HB3 HIS A 6 14.588 -86.749 -30.453 1.00 4.33 H new ATOM 0 HD1 HIS A 6 16.160 -84.972 -29.568 1.00 25.22 H new ATOM 0 HD2 HIS A 6 12.228 -84.509 -28.207 1.00 51.05 H new ATOM 0 HE1 HIS A 6 16.225 -83.177 -27.771 1.00 34.00 H new ATOM 102 N HIS A 7 10.644 -85.732 -31.505 1.00 3.41 N ATOM 103 CA HIS A 7 9.299 -85.199 -31.319 1.00 22.42 C ATOM 104 C HIS A 7 8.354 -86.251 -30.744 1.00 74.24 C ATOM 105 O HIS A 7 7.780 -87.054 -31.479 1.00 22.25 O ATOM 106 CB HIS A 7 8.750 -84.665 -32.651 1.00 14.31 C ATOM 107 CG HIS A 7 7.328 -84.187 -32.577 1.00 52.42 C ATOM 108 ND1 HIS A 7 6.258 -84.937 -33.017 1.00 2.02 N ATOM 109 CD2 HIS A 7 6.804 -83.028 -32.113 1.00 55.24 C ATOM 110 CE1 HIS A 7 5.142 -84.261 -32.827 1.00 30.14 C ATOM 111 NE2 HIS A 7 5.444 -83.100 -32.279 1.00 45.03 N ATOM 0 H HIS A 7 10.674 -86.694 -31.844 1.00 3.41 H new ATOM 0 HA HIS A 7 9.362 -84.380 -30.603 1.00 22.42 H new ATOM 0 HB2 HIS A 7 9.382 -83.844 -32.990 1.00 14.31 H new ATOM 0 HB3 HIS A 7 8.820 -85.451 -33.403 1.00 14.31 H new ATOM 0 HD2 HIS A 7 7.354 -82.200 -31.691 1.00 55.24 H new ATOM 0 HE1 HIS A 7 4.148 -84.601 -33.078 1.00 30.14 H new ATOM 0 HE2 HIS A 7 4.776 -82.374 -32.021 1.00 45.03 H new ATOM 120 N HIS A 8 8.235 -86.268 -29.422 1.00 1.42 N ATOM 121 CA HIS A 8 7.188 -87.033 -28.744 1.00 40.41 C ATOM 122 C HIS A 8 6.103 -86.063 -28.285 1.00 31.21 C ATOM 123 O HIS A 8 6.383 -84.880 -28.088 1.00 1.54 O ATOM 124 CB HIS A 8 7.751 -87.822 -27.550 1.00 5.14 C ATOM 125 CG HIS A 8 8.641 -88.967 -27.946 1.00 51.02 C ATOM 126 ND1 HIS A 8 8.184 -90.260 -28.105 1.00 43.10 N ATOM 127 CD2 HIS A 8 9.971 -89.012 -28.203 1.00 71.51 C ATOM 128 CE1 HIS A 8 9.194 -91.044 -28.438 1.00 10.51 C ATOM 129 NE2 HIS A 8 10.286 -90.312 -28.505 1.00 62.52 N ATOM 0 H HIS A 8 8.854 -85.758 -28.792 1.00 1.42 H new ATOM 0 HA HIS A 8 6.769 -87.762 -29.438 1.00 40.41 H new ATOM 0 HB2 HIS A 8 8.313 -87.142 -26.909 1.00 5.14 H new ATOM 0 HB3 HIS A 8 6.921 -88.207 -26.957 1.00 5.14 H new ATOM 0 HD2 HIS A 8 10.656 -88.178 -28.175 1.00 71.51 H new ATOM 0 HE1 HIS A 8 9.134 -92.106 -28.624 1.00 10.51 H new ATOM 0 HE2 HIS A 8 11.216 -90.656 -28.743 1.00 62.52 H new ATOM 138 N MET A 9 4.875 -86.557 -28.125 1.00 32.43 N ATOM 139 CA MET A 9 3.728 -85.693 -27.829 1.00 63.23 C ATOM 140 C MET A 9 3.820 -85.095 -26.423 1.00 31.31 C ATOM 141 O MET A 9 4.101 -83.904 -26.263 1.00 61.42 O ATOM 142 CB MET A 9 2.407 -86.465 -28.000 1.00 35.41 C ATOM 143 CG MET A 9 2.119 -86.878 -29.437 1.00 51.11 C ATOM 144 SD MET A 9 0.508 -87.671 -29.619 1.00 3.44 S ATOM 145 CE MET A 9 0.463 -87.936 -31.392 1.00 24.31 C ATOM 0 H MET A 9 4.647 -87.549 -28.195 1.00 32.43 H new ATOM 0 HA MET A 9 3.746 -84.869 -28.542 1.00 63.23 H new ATOM 0 HB2 MET A 9 2.434 -87.357 -27.374 1.00 35.41 H new ATOM 0 HB3 MET A 9 1.586 -85.846 -27.638 1.00 35.41 H new ATOM 0 HG2 MET A 9 2.162 -85.999 -30.080 1.00 51.11 H new ATOM 0 HG3 MET A 9 2.897 -87.561 -29.778 1.00 51.11 H new ATOM 0 HE1 MET A 9 -0.475 -88.420 -31.664 1.00 24.31 H new ATOM 0 HE2 MET A 9 0.538 -86.977 -31.905 1.00 24.31 H new ATOM 0 HE3 MET A 9 1.298 -88.572 -31.686 1.00 24.31 H new ATOM 155 N GLY A 10 3.587 -85.920 -25.406 1.00 41.12 N ATOM 156 CA GLY A 10 3.623 -85.443 -24.033 1.00 0.44 C ATOM 157 C GLY A 10 2.341 -85.751 -23.282 1.00 11.55 C ATOM 158 O GLY A 10 1.892 -86.899 -23.257 1.00 74.43 O ATOM 0 H GLY A 10 3.373 -86.912 -25.508 1.00 41.12 H new ATOM 0 HA2 GLY A 10 4.465 -85.901 -23.514 1.00 0.44 H new ATOM 0 HA3 GLY A 10 3.794 -84.366 -24.029 1.00 0.44 H new ATOM 162 N THR A 11 1.736 -84.725 -22.687 1.00 73.24 N ATOM 163 CA THR A 11 0.553 -84.906 -21.851 1.00 53.21 C ATOM 164 C THR A 11 -0.734 -84.569 -22.604 1.00 62.12 C ATOM 165 O THR A 11 -0.958 -83.422 -23.005 1.00 32.23 O ATOM 166 CB THR A 11 0.636 -84.051 -20.569 1.00 24.22 C ATOM 167 OG1 THR A 11 0.981 -82.697 -20.897 1.00 5.43 O ATOM 168 CG2 THR A 11 1.664 -84.617 -19.593 1.00 21.21 C ATOM 0 H THR A 11 2.047 -83.757 -22.769 1.00 73.24 H new ATOM 0 HA THR A 11 0.527 -85.960 -21.576 1.00 53.21 H new ATOM 0 HB THR A 11 -0.343 -84.072 -20.091 1.00 24.22 H new ATOM 0 HG1 THR A 11 0.592 -82.461 -21.765 1.00 5.43 H new ATOM 0 HG21 THR A 11 1.700 -83.993 -18.700 1.00 21.21 H new ATOM 0 HG22 THR A 11 1.382 -85.633 -19.315 1.00 21.21 H new ATOM 0 HG23 THR A 11 2.646 -84.630 -20.066 1.00 21.21 H new ATOM 176 N LEU A 12 -1.567 -85.588 -22.798 1.00 73.43 N ATOM 177 CA LEU A 12 -2.891 -85.422 -23.400 1.00 60.44 C ATOM 178 C LEU A 12 -3.961 -85.832 -22.389 1.00 2.34 C ATOM 179 O LEU A 12 -5.149 -85.549 -22.564 1.00 43.41 O ATOM 180 CB LEU A 12 -3.042 -86.262 -24.685 1.00 50.00 C ATOM 181 CG LEU A 12 -2.117 -85.880 -25.858 1.00 32.44 C ATOM 182 CD1 LEU A 12 -0.679 -86.317 -25.599 1.00 40.14 C ATOM 183 CD2 LEU A 12 -2.635 -86.482 -27.159 1.00 54.24 C ATOM 0 H LEU A 12 -1.346 -86.551 -22.544 1.00 73.43 H new ATOM 0 HA LEU A 12 -3.011 -84.373 -23.672 1.00 60.44 H new ATOM 0 HB2 LEU A 12 -2.864 -87.308 -24.434 1.00 50.00 H new ATOM 0 HB3 LEU A 12 -4.075 -86.187 -25.024 1.00 50.00 H new ATOM 0 HG LEU A 12 -2.121 -84.794 -25.948 1.00 32.44 H new ATOM 0 HD11 LEU A 12 -0.054 -86.032 -26.445 1.00 40.14 H new ATOM 0 HD12 LEU A 12 -0.309 -85.833 -24.695 1.00 40.14 H new ATOM 0 HD13 LEU A 12 -0.645 -87.399 -25.471 1.00 40.14 H new ATOM 0 HD21 LEU A 12 -1.972 -86.204 -27.978 1.00 54.24 H new ATOM 0 HD22 LEU A 12 -2.666 -87.568 -27.070 1.00 54.24 H new ATOM 0 HD23 LEU A 12 -3.638 -86.105 -27.360 1.00 54.24 H new ATOM 195 N GLU A 13 -3.513 -86.490 -21.326 1.00 52.03 N ATOM 196 CA GLU A 13 -4.381 -86.996 -20.268 1.00 22.25 C ATOM 197 C GLU A 13 -3.510 -87.359 -19.071 1.00 62.32 C ATOM 198 O GLU A 13 -2.349 -87.733 -19.249 1.00 2.42 O ATOM 199 CB GLU A 13 -5.168 -88.228 -20.755 1.00 51.21 C ATOM 200 CG GLU A 13 -6.043 -88.892 -19.688 1.00 55.21 C ATOM 201 CD GLU A 13 -7.192 -88.012 -19.214 1.00 31.33 C ATOM 202 OE1 GLU A 13 -6.972 -87.149 -18.334 1.00 54.41 O ATOM 203 OE2 GLU A 13 -8.326 -88.189 -19.708 1.00 45.33 O ATOM 0 H GLU A 13 -2.525 -86.690 -21.172 1.00 52.03 H new ATOM 0 HA GLU A 13 -5.106 -86.232 -19.985 1.00 22.25 H new ATOM 0 HB2 GLU A 13 -5.801 -87.930 -21.591 1.00 51.21 H new ATOM 0 HB3 GLU A 13 -4.462 -88.965 -21.137 1.00 51.21 H new ATOM 0 HG2 GLU A 13 -6.448 -89.821 -20.088 1.00 55.21 H new ATOM 0 HG3 GLU A 13 -5.422 -89.157 -18.833 1.00 55.21 H new ATOM 210 N ALA A 14 -4.054 -87.246 -17.868 1.00 75.13 N ATOM 211 CA ALA A 14 -3.290 -87.527 -16.658 1.00 74.41 C ATOM 212 C ALA A 14 -4.170 -88.180 -15.599 1.00 5.34 C ATOM 213 O ALA A 14 -5.329 -87.796 -15.415 1.00 31.41 O ATOM 214 CB ALA A 14 -2.661 -86.244 -16.118 1.00 21.45 C ATOM 0 H ALA A 14 -5.020 -86.962 -17.702 1.00 75.13 H new ATOM 0 HA ALA A 14 -2.493 -88.226 -16.911 1.00 74.41 H new ATOM 0 HB1 ALA A 14 -2.094 -86.469 -15.215 1.00 21.45 H new ATOM 0 HB2 ALA A 14 -1.994 -85.822 -16.869 1.00 21.45 H new ATOM 0 HB3 ALA A 14 -3.446 -85.525 -15.884 1.00 21.45 H new ATOM 220 N GLN A 15 -3.614 -89.175 -14.919 1.00 73.23 N ATOM 221 CA GLN A 15 -4.286 -89.847 -13.814 1.00 10.44 C ATOM 222 C GLN A 15 -3.299 -90.005 -12.664 1.00 33.22 C ATOM 223 O GLN A 15 -2.107 -90.212 -12.893 1.00 53.33 O ATOM 224 CB GLN A 15 -4.863 -91.203 -14.268 1.00 53.15 C ATOM 225 CG GLN A 15 -3.845 -92.165 -14.893 1.00 42.52 C ATOM 226 CD GLN A 15 -3.277 -93.174 -13.904 1.00 12.50 C ATOM 227 OE1 GLN A 15 -2.258 -92.934 -13.256 1.00 73.33 O ATOM 228 NE2 GLN A 15 -3.930 -94.321 -13.788 1.00 64.32 N ATOM 0 H GLN A 15 -2.682 -89.539 -15.119 1.00 73.23 H new ATOM 0 HA GLN A 15 -5.130 -89.248 -13.472 1.00 10.44 H new ATOM 0 HB2 GLN A 15 -5.322 -91.692 -13.408 1.00 53.15 H new ATOM 0 HB3 GLN A 15 -5.657 -91.019 -14.991 1.00 53.15 H new ATOM 0 HG2 GLN A 15 -4.320 -92.701 -15.714 1.00 42.52 H new ATOM 0 HG3 GLN A 15 -3.026 -91.587 -15.321 1.00 42.52 H new ATOM 0 HE21 GLN A 15 -4.771 -94.487 -14.340 1.00 64.32 H new ATOM 0 HE22 GLN A 15 -3.591 -95.038 -13.146 1.00 64.32 H new ATOM 237 N THR A 16 -3.783 -89.877 -11.436 1.00 2.53 N ATOM 238 CA THR A 16 -2.909 -89.884 -10.269 1.00 64.02 C ATOM 239 C THR A 16 -3.168 -91.097 -9.376 1.00 10.20 C ATOM 240 O THR A 16 -4.221 -91.203 -8.741 1.00 24.02 O ATOM 241 CB THR A 16 -3.082 -88.586 -9.448 1.00 64.03 C ATOM 242 OG1 THR A 16 -2.875 -87.448 -10.297 1.00 72.31 O ATOM 243 CG2 THR A 16 -2.106 -88.532 -8.274 1.00 44.12 C ATOM 0 H THR A 16 -4.774 -89.767 -11.221 1.00 2.53 H new ATOM 0 HA THR A 16 -1.884 -89.943 -10.636 1.00 64.02 H new ATOM 0 HB THR A 16 -4.095 -88.573 -9.047 1.00 64.03 H new ATOM 0 HG1 THR A 16 -2.987 -86.626 -9.775 1.00 72.31 H new ATOM 0 HG21 THR A 16 -2.256 -87.606 -7.719 1.00 44.12 H new ATOM 0 HG22 THR A 16 -2.282 -89.383 -7.615 1.00 44.12 H new ATOM 0 HG23 THR A 16 -1.083 -88.569 -8.649 1.00 44.12 H new ATOM 251 N GLN A 17 -2.203 -92.011 -9.350 1.00 71.03 N ATOM 252 CA GLN A 17 -2.240 -93.166 -8.461 1.00 43.41 C ATOM 253 C GLN A 17 -0.817 -93.555 -8.075 1.00 71.34 C ATOM 254 O GLN A 17 0.147 -92.938 -8.541 1.00 24.31 O ATOM 255 CB GLN A 17 -3.000 -94.345 -9.116 1.00 10.42 C ATOM 256 CG GLN A 17 -2.448 -94.829 -10.462 1.00 13.32 C ATOM 257 CD GLN A 17 -1.168 -95.645 -10.345 1.00 52.11 C ATOM 258 OE1 GLN A 17 -0.063 -95.116 -10.448 1.00 64.41 O ATOM 259 NE2 GLN A 17 -1.313 -96.937 -10.109 1.00 14.45 N ATOM 0 H GLN A 17 -1.375 -91.972 -9.944 1.00 71.03 H new ATOM 0 HA GLN A 17 -2.784 -92.905 -7.553 1.00 43.41 H new ATOM 0 HB2 GLN A 17 -2.998 -95.185 -8.421 1.00 10.42 H new ATOM 0 HB3 GLN A 17 -4.040 -94.049 -9.256 1.00 10.42 H new ATOM 0 HG2 GLN A 17 -3.208 -95.432 -10.960 1.00 13.32 H new ATOM 0 HG3 GLN A 17 -2.260 -93.965 -11.099 1.00 13.32 H new ATOM 0 HE21 GLN A 17 -2.247 -97.339 -10.030 1.00 14.45 H new ATOM 0 HE22 GLN A 17 -0.491 -97.532 -10.006 1.00 14.45 H new ATOM 268 N GLY A 18 -0.680 -94.567 -7.228 1.00 1.13 N ATOM 269 CA GLY A 18 0.636 -95.013 -6.809 1.00 52.34 C ATOM 270 C GLY A 18 0.637 -95.527 -5.386 1.00 34.32 C ATOM 271 O GLY A 18 -0.416 -95.585 -4.747 1.00 71.43 O ATOM 0 H GLY A 18 -1.458 -95.088 -6.823 1.00 1.13 H new ATOM 0 HA2 GLY A 18 0.981 -95.801 -7.479 1.00 52.34 H new ATOM 0 HA3 GLY A 18 1.343 -94.188 -6.896 1.00 52.34 H new ATOM 275 N PRO A 19 1.813 -95.903 -4.855 1.00 11.21 N ATOM 276 CA PRO A 19 1.953 -96.436 -3.515 1.00 44.43 C ATOM 277 C PRO A 19 2.395 -95.371 -2.510 1.00 61.53 C ATOM 278 O PRO A 19 2.279 -94.168 -2.760 1.00 33.10 O ATOM 279 CB PRO A 19 3.052 -97.484 -3.726 1.00 34.13 C ATOM 280 CG PRO A 19 3.930 -96.912 -4.804 1.00 11.35 C ATOM 281 CD PRO A 19 3.125 -95.838 -5.514 1.00 74.15 C ATOM 0 HA PRO A 19 1.023 -96.825 -3.100 1.00 44.43 H new ATOM 0 HB2 PRO A 19 3.615 -97.657 -2.809 1.00 34.13 H new ATOM 0 HB3 PRO A 19 2.631 -98.443 -4.027 1.00 34.13 H new ATOM 0 HG2 PRO A 19 4.840 -96.491 -4.376 1.00 11.35 H new ATOM 0 HG3 PRO A 19 4.236 -97.689 -5.504 1.00 11.35 H new ATOM 0 HD2 PRO A 19 3.582 -94.855 -5.403 1.00 74.15 H new ATOM 0 HD3 PRO A 19 3.048 -96.035 -6.583 1.00 74.15 H new ATOM 289 N GLY A 20 2.907 -95.828 -1.377 1.00 53.25 N ATOM 290 CA GLY A 20 3.381 -94.927 -0.346 1.00 63.03 C ATOM 291 C GLY A 20 4.169 -95.655 0.723 1.00 10.53 C ATOM 292 O GLY A 20 4.205 -95.229 1.878 1.00 74.25 O ATOM 0 H GLY A 20 3.003 -96.818 -1.151 1.00 53.25 H new ATOM 0 HA2 GLY A 20 4.007 -94.157 -0.797 1.00 63.03 H new ATOM 0 HA3 GLY A 20 2.531 -94.420 0.111 1.00 63.03 H new ATOM 296 N SER A 21 4.802 -96.759 0.335 1.00 73.15 N ATOM 297 CA SER A 21 5.577 -97.575 1.260 1.00 14.22 C ATOM 298 C SER A 21 6.854 -98.083 0.586 1.00 10.43 C ATOM 299 O SER A 21 6.860 -99.149 -0.033 1.00 10.21 O ATOM 300 CB SER A 21 4.717 -98.741 1.768 1.00 12.32 C ATOM 301 OG SER A 21 4.091 -99.420 0.689 1.00 22.03 O ATOM 0 H SER A 21 4.792 -97.110 -0.623 1.00 73.15 H new ATOM 0 HA SER A 21 5.873 -96.966 2.114 1.00 14.22 H new ATOM 0 HB2 SER A 21 5.339 -99.438 2.329 1.00 12.32 H new ATOM 0 HB3 SER A 21 3.959 -98.366 2.455 1.00 12.32 H new ATOM 0 HG SER A 21 4.758 -99.627 0.001 1.00 22.03 H new ATOM 307 N MET A 22 7.919 -97.289 0.673 1.00 63.14 N ATOM 308 CA MET A 22 9.213 -97.646 0.087 1.00 73.31 C ATOM 309 C MET A 22 10.345 -97.208 1.008 1.00 20.42 C ATOM 310 O MET A 22 10.709 -96.030 1.035 1.00 43.13 O ATOM 311 CB MET A 22 9.397 -97.001 -1.301 1.00 54.34 C ATOM 312 CG MET A 22 8.508 -97.583 -2.392 1.00 52.42 C ATOM 313 SD MET A 22 8.798 -96.819 -4.000 1.00 3.25 S ATOM 314 CE MET A 22 7.692 -97.774 -5.033 1.00 22.13 C ATOM 0 H MET A 22 7.912 -96.386 1.148 1.00 63.14 H new ATOM 0 HA MET A 22 9.237 -98.729 -0.032 1.00 73.31 H new ATOM 0 HB2 MET A 22 9.198 -95.932 -1.220 1.00 54.34 H new ATOM 0 HB3 MET A 22 10.439 -97.110 -1.603 1.00 54.34 H new ATOM 0 HG2 MET A 22 8.684 -98.656 -2.466 1.00 52.42 H new ATOM 0 HG3 MET A 22 7.463 -97.450 -2.114 1.00 52.42 H new ATOM 0 HE1 MET A 22 7.567 -97.273 -5.993 1.00 22.13 H new ATOM 0 HE2 MET A 22 8.111 -98.767 -5.194 1.00 22.13 H new ATOM 0 HE3 MET A 22 6.723 -97.865 -4.542 1.00 22.13 H new ATOM 324 N GLN A 23 10.875 -98.152 1.784 1.00 42.32 N ATOM 325 CA GLN A 23 12.016 -97.894 2.659 1.00 71.32 C ATOM 326 C GLN A 23 12.592 -99.207 3.185 1.00 74.11 C ATOM 327 O GLN A 23 11.856-100.170 3.422 1.00 61.22 O ATOM 328 CB GLN A 23 11.610 -96.987 3.832 1.00 23.42 C ATOM 329 CG GLN A 23 10.520 -97.578 4.720 1.00 73.31 C ATOM 330 CD GLN A 23 10.124 -96.657 5.860 1.00 45.10 C ATOM 331 OE1 GLN A 23 10.934 -95.874 6.360 1.00 2.12 O ATOM 332 NE2 GLN A 23 8.876 -96.748 6.289 1.00 73.02 N ATOM 0 H GLN A 23 10.528 -99.110 1.824 1.00 42.32 H new ATOM 0 HA GLN A 23 12.782 -97.382 2.076 1.00 71.32 H new ATOM 0 HB2 GLN A 23 12.490 -96.782 4.441 1.00 23.42 H new ATOM 0 HB3 GLN A 23 11.265 -96.031 3.437 1.00 23.42 H new ATOM 0 HG2 GLN A 23 9.641 -97.795 4.113 1.00 73.31 H new ATOM 0 HG3 GLN A 23 10.867 -98.527 5.130 1.00 73.31 H new ATOM 0 HE21 GLN A 23 8.233 -97.408 5.851 1.00 73.02 H new ATOM 0 HE22 GLN A 23 8.557 -96.158 7.058 1.00 73.02 H new ATOM 341 N GLY A 24 13.907 -99.244 3.349 1.00 4.42 N ATOM 342 CA GLY A 24 14.566-100.420 3.884 1.00 12.50 C ATOM 343 C GLY A 24 15.906-100.072 4.493 1.00 71.41 C ATOM 344 O GLY A 24 16.886 -99.884 3.770 1.00 61.51 O ATOM 0 H GLY A 24 14.535 -98.474 3.119 1.00 4.42 H new ATOM 0 HA2 GLY A 24 13.931-100.883 4.639 1.00 12.50 H new ATOM 0 HA3 GLY A 24 14.705-101.154 3.090 1.00 12.50 H new ATOM 348 N SER A 25 15.944 -99.973 5.819 1.00 41.01 N ATOM 349 CA SER A 25 17.157 -99.599 6.532 1.00 14.24 C ATOM 350 C SER A 25 18.282-100.596 6.258 1.00 14.43 C ATOM 351 O SER A 25 18.287-101.715 6.780 1.00 11.33 O ATOM 352 CB SER A 25 16.883 -99.507 8.033 1.00 34.44 C ATOM 353 OG SER A 25 15.773 -98.660 8.304 1.00 60.00 O ATOM 0 H SER A 25 15.141-100.148 6.423 1.00 41.01 H new ATOM 0 HA SER A 25 17.475 -98.621 6.172 1.00 14.24 H new ATOM 0 HB2 SER A 25 16.689-100.503 8.431 1.00 34.44 H new ATOM 0 HB3 SER A 25 17.767 -99.126 8.544 1.00 34.44 H new ATOM 0 HG SER A 25 15.620 -98.621 9.271 1.00 60.00 H new ATOM 359 N MET A 26 19.226-100.176 5.428 1.00 62.34 N ATOM 360 CA MET A 26 20.351-101.013 5.022 1.00 2.51 C ATOM 361 C MET A 26 21.623-100.171 4.948 1.00 11.11 C ATOM 362 O MET A 26 21.549 -98.950 4.774 1.00 5.31 O ATOM 363 CB MET A 26 20.076-101.674 3.656 1.00 50.04 C ATOM 364 CG MET A 26 18.895-102.639 3.655 1.00 55.43 C ATOM 365 SD MET A 26 18.626-103.424 2.052 1.00 2.11 S ATOM 366 CE MET A 26 20.141-104.366 1.864 1.00 34.05 C ATOM 0 H MET A 26 19.235 -99.243 5.015 1.00 62.34 H new ATOM 0 HA MET A 26 20.482-101.800 5.764 1.00 2.51 H new ATOM 0 HB2 MET A 26 19.894-100.893 2.917 1.00 50.04 H new ATOM 0 HB3 MET A 26 20.970-102.211 3.338 1.00 50.04 H new ATOM 0 HG2 MET A 26 19.062-103.410 4.407 1.00 55.43 H new ATOM 0 HG3 MET A 26 17.993-102.101 3.946 1.00 55.43 H new ATOM 0 HE1 MET A 26 19.993-105.147 1.118 1.00 34.05 H new ATOM 0 HE2 MET A 26 20.944-103.703 1.541 1.00 34.05 H new ATOM 0 HE3 MET A 26 20.407-104.821 2.818 1.00 34.05 H new ATOM 376 N PRO A 27 22.806-100.801 5.101 1.00 74.34 N ATOM 377 CA PRO A 27 24.096-100.099 4.999 1.00 71.44 C ATOM 378 C PRO A 27 24.258 -99.366 3.663 1.00 34.14 C ATOM 379 O PRO A 27 23.650 -99.746 2.658 1.00 11.14 O ATOM 380 CB PRO A 27 25.131-101.228 5.120 1.00 53.44 C ATOM 381 CG PRO A 27 24.421-102.321 5.847 1.00 33.13 C ATOM 382 CD PRO A 27 22.986-102.238 5.402 1.00 61.22 C ATOM 0 HA PRO A 27 24.198 -99.327 5.761 1.00 71.44 H new ATOM 0 HB2 PRO A 27 25.470-101.561 4.139 1.00 53.44 H new ATOM 0 HB3 PRO A 27 26.014-100.898 5.667 1.00 53.44 H new ATOM 0 HG2 PRO A 27 24.850-103.294 5.607 1.00 33.13 H new ATOM 0 HG3 PRO A 27 24.505-102.193 6.926 1.00 33.13 H new ATOM 0 HD2 PRO A 27 22.800-102.859 4.526 1.00 61.22 H new ATOM 0 HD3 PRO A 27 22.303-102.574 6.182 1.00 61.22 H new ATOM 390 N SER A 28 25.081 -98.322 3.661 1.00 3.22 N ATOM 391 CA SER A 28 25.346 -97.545 2.459 1.00 34.34 C ATOM 392 C SER A 28 26.113 -98.404 1.451 1.00 61.20 C ATOM 393 O SER A 28 27.243 -98.824 1.713 1.00 25.04 O ATOM 394 CB SER A 28 26.142 -96.280 2.818 1.00 12.32 C ATOM 395 OG SER A 28 26.257 -95.395 1.712 1.00 70.24 O ATOM 0 H SER A 28 25.579 -97.994 4.488 1.00 3.22 H new ATOM 0 HA SER A 28 24.403 -97.238 2.007 1.00 34.34 H new ATOM 0 HB2 SER A 28 25.653 -95.766 3.645 1.00 12.32 H new ATOM 0 HB3 SER A 28 27.137 -96.562 3.162 1.00 12.32 H new ATOM 0 HG SER A 28 26.767 -94.602 1.979 1.00 70.24 H new ATOM 401 N SER A 29 25.484 -98.673 0.314 1.00 60.23 N ATOM 402 CA SER A 29 26.057 -99.537 -0.710 1.00 32.34 C ATOM 403 C SER A 29 27.195 -98.834 -1.458 1.00 73.11 C ATOM 404 O SER A 29 27.600 -97.723 -1.101 1.00 31.03 O ATOM 405 CB SER A 29 24.947 -99.964 -1.671 1.00 33.44 C ATOM 406 OG SER A 29 24.218 -98.837 -2.133 1.00 52.53 O ATOM 0 H SER A 29 24.565 -98.300 0.076 1.00 60.23 H new ATOM 0 HA SER A 29 26.487-100.420 -0.237 1.00 32.34 H new ATOM 0 HB2 SER A 29 25.379-100.496 -2.519 1.00 33.44 H new ATOM 0 HB3 SER A 29 24.273-100.658 -1.169 1.00 33.44 H new ATOM 0 HG SER A 29 23.709 -99.082 -2.934 1.00 52.53 H new ATOM 412 N SER A 30 27.712 -99.487 -2.497 1.00 64.34 N ATOM 413 CA SER A 30 28.821 -98.947 -3.275 1.00 21.24 C ATOM 414 C SER A 30 28.322 -98.146 -4.481 1.00 2.22 C ATOM 415 O SER A 30 29.124 -97.655 -5.278 1.00 33.13 O ATOM 416 CB SER A 30 29.750-100.084 -3.720 1.00 51.34 C ATOM 417 OG SER A 30 29.014-101.171 -4.263 1.00 75.40 O ATOM 0 H SER A 30 27.377-100.395 -2.819 1.00 64.34 H new ATOM 0 HA SER A 30 29.382 -98.261 -2.640 1.00 21.24 H new ATOM 0 HB2 SER A 30 30.454 -99.711 -4.464 1.00 51.34 H new ATOM 0 HB3 SER A 30 30.338-100.429 -2.870 1.00 51.34 H new ATOM 0 HG SER A 30 29.632-101.879 -4.539 1.00 75.40 H new ATOM 423 N GLU A 31 27.000 -98.019 -4.618 1.00 40.24 N ATOM 424 CA GLU A 31 26.418 -97.200 -5.678 1.00 62.35 C ATOM 425 C GLU A 31 26.752 -95.726 -5.439 1.00 41.11 C ATOM 426 O GLU A 31 26.127 -95.061 -4.608 1.00 60.14 O ATOM 427 CB GLU A 31 24.888 -97.389 -5.776 1.00 12.31 C ATOM 428 CG GLU A 31 24.442 -98.762 -6.289 1.00 22.01 C ATOM 429 CD GLU A 31 24.515 -99.857 -5.236 1.00 14.11 C ATOM 430 OE1 GLU A 31 25.602-100.442 -5.047 1.00 55.42 O ATOM 431 OE2 GLU A 31 23.480-100.139 -4.591 1.00 62.50 O ATOM 0 H GLU A 31 26.317 -98.471 -4.010 1.00 40.24 H new ATOM 0 HA GLU A 31 26.850 -97.524 -6.625 1.00 62.35 H new ATOM 0 HB2 GLU A 31 24.452 -97.226 -4.790 1.00 12.31 H new ATOM 0 HB3 GLU A 31 24.483 -96.621 -6.435 1.00 12.31 H new ATOM 0 HG2 GLU A 31 23.418 -98.689 -6.655 1.00 22.01 H new ATOM 0 HG3 GLU A 31 25.065 -99.044 -7.138 1.00 22.01 H new ATOM 438 N ASP A 32 27.765 -95.233 -6.146 1.00 41.14 N ATOM 439 CA ASP A 32 28.184 -93.840 -6.016 1.00 53.41 C ATOM 440 C ASP A 32 27.299 -92.949 -6.881 1.00 74.21 C ATOM 441 O ASP A 32 27.034 -91.790 -6.541 1.00 0.32 O ATOM 442 CB ASP A 32 29.657 -93.671 -6.413 1.00 20.24 C ATOM 443 CG ASP A 32 30.173 -92.265 -6.137 1.00 71.33 C ATOM 444 OD1 ASP A 32 30.431 -91.944 -4.958 1.00 71.55 O ATOM 445 OD2 ASP A 32 30.321 -91.471 -7.092 1.00 22.21 O ATOM 0 H ASP A 32 28.311 -95.777 -6.814 1.00 41.14 H new ATOM 0 HA ASP A 32 28.079 -93.544 -4.972 1.00 53.41 H new ATOM 0 HB2 ASP A 32 30.264 -94.392 -5.865 1.00 20.24 H new ATOM 0 HB3 ASP A 32 29.773 -93.897 -7.473 1.00 20.24 H new ATOM 450 N VAL A 33 26.831 -93.506 -7.996 1.00 64.33 N ATOM 451 CA VAL A 33 25.936 -92.789 -8.893 1.00 3.41 C ATOM 452 C VAL A 33 24.543 -92.711 -8.276 1.00 52.31 C ATOM 453 O VAL A 33 23.812 -93.702 -8.222 1.00 55.05 O ATOM 454 CB VAL A 33 25.838 -93.461 -10.282 1.00 32.24 C ATOM 455 CG1 VAL A 33 24.951 -92.643 -11.223 1.00 21.34 C ATOM 456 CG2 VAL A 33 27.227 -93.670 -10.884 1.00 54.35 C ATOM 0 H VAL A 33 27.059 -94.453 -8.298 1.00 64.33 H new ATOM 0 HA VAL A 33 26.349 -91.790 -9.032 1.00 3.41 H new ATOM 0 HB VAL A 33 25.376 -94.440 -10.152 1.00 32.24 H new ATOM 0 HG11 VAL A 33 24.898 -93.136 -12.193 1.00 21.34 H new ATOM 0 HG12 VAL A 33 23.949 -92.563 -10.801 1.00 21.34 H new ATOM 0 HG13 VAL A 33 25.373 -91.646 -11.346 1.00 21.34 H new ATOM 0 HG21 VAL A 33 27.133 -94.144 -11.861 1.00 54.35 H new ATOM 0 HG22 VAL A 33 27.724 -92.706 -10.995 1.00 54.35 H new ATOM 0 HG23 VAL A 33 27.816 -94.309 -10.226 1.00 54.35 H new ATOM 466 N THR A 34 24.194 -91.531 -7.810 1.00 32.15 N ATOM 467 CA THR A 34 22.924 -91.303 -7.148 1.00 71.11 C ATOM 468 C THR A 34 21.822 -91.058 -8.177 1.00 2.24 C ATOM 469 O THR A 34 21.955 -90.201 -9.054 1.00 60.35 O ATOM 470 CB THR A 34 23.022 -90.096 -6.187 1.00 3.00 C ATOM 471 OG1 THR A 34 24.120 -90.287 -5.284 1.00 50.55 O ATOM 472 CG2 THR A 34 21.735 -89.903 -5.389 1.00 1.10 C ATOM 0 H THR A 34 24.782 -90.701 -7.879 1.00 32.15 H new ATOM 0 HA THR A 34 22.677 -92.194 -6.570 1.00 71.11 H new ATOM 0 HB THR A 34 23.182 -89.202 -6.790 1.00 3.00 H new ATOM 0 HG1 THR A 34 23.782 -90.342 -4.366 1.00 50.55 H new ATOM 0 HG21 THR A 34 21.844 -89.045 -4.725 1.00 1.10 H new ATOM 0 HG22 THR A 34 20.905 -89.729 -6.074 1.00 1.10 H new ATOM 0 HG23 THR A 34 21.536 -90.797 -4.797 1.00 1.10 H new ATOM 480 N THR A 35 20.756 -91.841 -8.088 1.00 71.32 N ATOM 481 CA THR A 35 19.588 -91.667 -8.935 1.00 44.34 C ATOM 482 C THR A 35 18.369 -91.370 -8.071 1.00 64.43 C ATOM 483 O THR A 35 18.104 -92.079 -7.094 1.00 74.11 O ATOM 484 CB THR A 35 19.329 -92.919 -9.799 1.00 51.43 C ATOM 485 OG1 THR A 35 20.491 -93.198 -10.595 1.00 13.30 O ATOM 486 CG2 THR A 35 18.110 -92.729 -10.705 1.00 62.32 C ATOM 0 H THR A 35 20.678 -92.614 -7.427 1.00 71.32 H new ATOM 0 HA THR A 35 19.775 -90.829 -9.607 1.00 44.34 H new ATOM 0 HB THR A 35 19.124 -93.759 -9.135 1.00 51.43 H new ATOM 0 HG1 THR A 35 20.860 -94.069 -10.341 1.00 13.30 H new ATOM 0 HG21 THR A 35 17.955 -93.629 -11.300 1.00 62.32 H new ATOM 0 HG22 THR A 35 17.227 -92.542 -10.093 1.00 62.32 H new ATOM 0 HG23 THR A 35 18.278 -91.880 -11.368 1.00 62.32 H new ATOM 494 N LEU A 36 17.661 -90.306 -8.415 1.00 13.40 N ATOM 495 CA LEU A 36 16.480 -89.879 -7.673 1.00 32.23 C ATOM 496 C LEU A 36 15.443 -89.328 -8.641 1.00 30.20 C ATOM 497 O LEU A 36 15.783 -88.553 -9.536 1.00 35.32 O ATOM 498 CB LEU A 36 16.851 -88.797 -6.643 1.00 70.33 C ATOM 499 CG LEU A 36 17.747 -89.255 -5.477 1.00 3.23 C ATOM 500 CD1 LEU A 36 18.165 -88.064 -4.614 1.00 10.31 C ATOM 501 CD2 LEU A 36 17.030 -90.303 -4.629 1.00 4.14 C ATOM 0 H LEU A 36 17.886 -89.714 -9.214 1.00 13.40 H new ATOM 0 HA LEU A 36 16.069 -90.739 -7.144 1.00 32.23 H new ATOM 0 HB2 LEU A 36 17.355 -87.984 -7.165 1.00 70.33 H new ATOM 0 HB3 LEU A 36 15.930 -88.387 -6.228 1.00 70.33 H new ATOM 0 HG LEU A 36 18.646 -89.706 -5.896 1.00 3.23 H new ATOM 0 HD11 LEU A 36 18.797 -88.411 -3.797 1.00 10.31 H new ATOM 0 HD12 LEU A 36 18.719 -87.350 -5.223 1.00 10.31 H new ATOM 0 HD13 LEU A 36 17.277 -87.581 -4.206 1.00 10.31 H new ATOM 0 HD21 LEU A 36 17.679 -90.614 -3.810 1.00 4.14 H new ATOM 0 HD22 LEU A 36 16.112 -89.877 -4.223 1.00 4.14 H new ATOM 0 HD23 LEU A 36 16.786 -91.167 -5.247 1.00 4.14 H new ATOM 513 N CYS A 37 14.186 -89.721 -8.471 1.00 71.23 N ATOM 514 CA CYS A 37 13.120 -89.211 -9.336 1.00 40.31 C ATOM 515 C CYS A 37 12.534 -87.938 -8.734 1.00 32.44 C ATOM 516 O CYS A 37 12.252 -87.884 -7.537 1.00 34.41 O ATOM 517 CB CYS A 37 12.023 -90.260 -9.545 1.00 1.21 C ATOM 518 SG CYS A 37 12.627 -91.844 -10.169 1.00 21.43 S ATOM 0 H CYS A 37 13.879 -90.380 -7.755 1.00 71.23 H new ATOM 0 HA CYS A 37 13.548 -88.983 -10.312 1.00 40.31 H new ATOM 0 HB2 CYS A 37 11.509 -90.427 -8.598 1.00 1.21 H new ATOM 0 HB3 CYS A 37 11.285 -89.864 -10.243 1.00 1.21 H new ATOM 0 HG CYS A 37 11.628 -92.664 -10.311 1.00 21.43 H new ATOM 524 N TYR A 38 12.344 -86.927 -9.569 1.00 44.52 N ATOM 525 CA TYR A 38 11.915 -85.609 -9.115 1.00 13.14 C ATOM 526 C TYR A 38 10.502 -85.288 -9.581 1.00 33.50 C ATOM 527 O TYR A 38 10.114 -85.618 -10.704 1.00 34.40 O ATOM 528 CB TYR A 38 12.870 -84.528 -9.651 1.00 2.52 C ATOM 529 CG TYR A 38 14.190 -84.419 -8.911 1.00 51.01 C ATOM 530 CD1 TYR A 38 14.996 -85.529 -8.695 1.00 5.21 C ATOM 531 CD2 TYR A 38 14.626 -83.193 -8.425 1.00 74.21 C ATOM 532 CE1 TYR A 38 16.193 -85.415 -8.019 1.00 42.41 C ATOM 533 CE2 TYR A 38 15.823 -83.076 -7.750 1.00 41.03 C ATOM 534 CZ TYR A 38 16.603 -84.190 -7.551 1.00 0.42 C ATOM 535 OH TYR A 38 17.800 -84.080 -6.884 1.00 72.24 O ATOM 0 H TYR A 38 12.482 -86.995 -10.577 1.00 44.52 H new ATOM 0 HA TYR A 38 11.930 -85.620 -8.025 1.00 13.14 H new ATOM 0 HB2 TYR A 38 13.075 -84.733 -10.702 1.00 2.52 H new ATOM 0 HB3 TYR A 38 12.365 -83.563 -9.607 1.00 2.52 H new ATOM 0 HD1 TYR A 38 14.681 -86.495 -9.061 1.00 5.21 H new ATOM 0 HD2 TYR A 38 14.016 -82.315 -8.579 1.00 74.21 H new ATOM 0 HE1 TYR A 38 16.808 -86.288 -7.858 1.00 42.41 H new ATOM 0 HE2 TYR A 38 16.146 -82.114 -7.380 1.00 41.03 H new ATOM 0 HH TYR A 38 17.800 -84.682 -6.111 1.00 72.24 H new ATOM 545 N ARG A 39 9.737 -84.657 -8.702 1.00 41.31 N ATOM 546 CA ARG A 39 8.475 -84.037 -9.070 1.00 13.40 C ATOM 547 C ARG A 39 8.218 -82.830 -8.179 1.00 14.02 C ATOM 548 O ARG A 39 8.148 -82.958 -6.957 1.00 25.40 O ATOM 549 CB ARG A 39 7.288 -85.008 -8.976 1.00 74.33 C ATOM 550 CG ARG A 39 5.952 -84.310 -9.232 1.00 12.21 C ATOM 551 CD ARG A 39 4.772 -85.271 -9.314 1.00 54.31 C ATOM 552 NE ARG A 39 3.527 -84.546 -9.599 1.00 25.32 N ATOM 553 CZ ARG A 39 2.312 -85.102 -9.635 1.00 14.22 C ATOM 554 NH1 ARG A 39 2.158 -86.404 -9.416 1.00 32.13 N ATOM 555 NH2 ARG A 39 1.247 -84.349 -9.887 1.00 64.21 N ATOM 0 H ARG A 39 9.975 -84.561 -7.715 1.00 41.31 H new ATOM 0 HA ARG A 39 8.560 -83.729 -10.112 1.00 13.40 H new ATOM 0 HB2 ARG A 39 7.420 -85.813 -9.699 1.00 74.33 H new ATOM 0 HB3 ARG A 39 7.273 -85.467 -7.987 1.00 74.33 H new ATOM 0 HG2 ARG A 39 5.769 -83.589 -8.435 1.00 12.21 H new ATOM 0 HG3 ARG A 39 6.017 -83.747 -10.163 1.00 12.21 H new ATOM 0 HD2 ARG A 39 4.954 -86.011 -10.093 1.00 54.31 H new ATOM 0 HD3 ARG A 39 4.674 -85.815 -8.374 1.00 54.31 H new ATOM 0 HE ARG A 39 3.594 -83.545 -9.783 1.00 25.32 H new ATOM 0 HH11 ARG A 39 2.971 -86.988 -9.218 1.00 32.13 H new ATOM 0 HH12 ARG A 39 1.227 -86.819 -9.445 1.00 32.13 H new ATOM 0 HH21 ARG A 39 1.357 -83.349 -10.053 1.00 64.21 H new ATOM 0 HH22 ARG A 39 0.319 -84.771 -9.915 1.00 64.21 H new ATOM 569 N VAL A 40 8.093 -81.665 -8.791 1.00 72.34 N ATOM 570 CA VAL A 40 7.768 -80.448 -8.064 1.00 72.44 C ATOM 571 C VAL A 40 6.484 -79.853 -8.623 1.00 70.43 C ATOM 572 O VAL A 40 6.221 -79.930 -9.827 1.00 61.43 O ATOM 573 CB VAL A 40 8.907 -79.398 -8.146 1.00 33.24 C ATOM 574 CG1 VAL A 40 9.058 -78.864 -9.568 1.00 32.30 C ATOM 575 CG2 VAL A 40 8.669 -78.254 -7.159 1.00 22.25 C ATOM 0 H VAL A 40 8.212 -81.535 -9.796 1.00 72.34 H new ATOM 0 HA VAL A 40 7.638 -80.712 -7.014 1.00 72.44 H new ATOM 0 HB VAL A 40 9.838 -79.894 -7.871 1.00 33.24 H new ATOM 0 HG11 VAL A 40 9.863 -78.130 -9.597 1.00 32.30 H new ATOM 0 HG12 VAL A 40 9.293 -79.687 -10.243 1.00 32.30 H new ATOM 0 HG13 VAL A 40 8.126 -78.393 -9.881 1.00 32.30 H new ATOM 0 HG21 VAL A 40 9.482 -77.532 -7.236 1.00 22.25 H new ATOM 0 HG22 VAL A 40 7.724 -77.763 -7.392 1.00 22.25 H new ATOM 0 HG23 VAL A 40 8.632 -78.651 -6.144 1.00 22.25 H new ATOM 585 N THR A 41 5.682 -79.284 -7.748 1.00 2.24 N ATOM 586 CA THR A 41 4.431 -78.658 -8.132 1.00 62.42 C ATOM 587 C THR A 41 4.586 -77.140 -8.106 1.00 74.20 C ATOM 588 O THR A 41 5.393 -76.612 -7.339 1.00 2.33 O ATOM 589 CB THR A 41 3.298 -79.097 -7.179 1.00 55.34 C ATOM 590 OG1 THR A 41 3.704 -78.898 -5.818 1.00 61.12 O ATOM 591 CG2 THR A 41 2.939 -80.566 -7.390 1.00 64.10 C ATOM 0 H THR A 41 5.878 -79.242 -6.748 1.00 2.24 H new ATOM 0 HA THR A 41 4.172 -78.972 -9.143 1.00 62.42 H new ATOM 0 HB THR A 41 2.419 -78.491 -7.397 1.00 55.34 H new ATOM 0 HG1 THR A 41 3.150 -79.449 -5.227 1.00 61.12 H new ATOM 0 HG21 THR A 41 2.139 -80.847 -6.705 1.00 64.10 H new ATOM 0 HG22 THR A 41 2.607 -80.715 -8.417 1.00 64.10 H new ATOM 0 HG23 THR A 41 3.815 -81.186 -7.198 1.00 64.10 H new ATOM 599 N GLY A 42 3.837 -76.436 -8.948 1.00 41.40 N ATOM 600 CA GLY A 42 3.927 -74.986 -8.987 1.00 24.42 C ATOM 601 C GLY A 42 2.814 -74.335 -8.199 1.00 40.24 C ATOM 602 O GLY A 42 1.683 -74.820 -8.210 1.00 32.35 O ATOM 0 H GLY A 42 3.170 -76.842 -9.604 1.00 41.40 H new ATOM 0 HA2 GLY A 42 4.890 -74.670 -8.585 1.00 24.42 H new ATOM 0 HA3 GLY A 42 3.887 -74.647 -10.022 1.00 24.42 H new ATOM 606 N LYS A 43 3.134 -73.253 -7.496 1.00 4.30 N ATOM 607 CA LYS A 43 2.130 -72.514 -6.737 1.00 54.14 C ATOM 608 C LYS A 43 1.192 -71.787 -7.695 1.00 34.03 C ATOM 609 O LYS A 43 -0.025 -71.776 -7.507 1.00 15.12 O ATOM 610 CB LYS A 43 2.803 -71.523 -5.776 1.00 24.05 C ATOM 611 CG LYS A 43 1.818 -70.725 -4.921 1.00 42.10 C ATOM 612 CD LYS A 43 2.519 -69.962 -3.797 1.00 4.43 C ATOM 613 CE LYS A 43 3.170 -70.906 -2.789 1.00 3.20 C ATOM 614 NZ LYS A 43 3.737 -70.177 -1.625 1.00 10.25 N ATOM 0 H LYS A 43 4.077 -72.869 -7.436 1.00 4.30 H new ATOM 0 HA LYS A 43 1.547 -73.216 -6.141 1.00 54.14 H new ATOM 0 HB2 LYS A 43 3.479 -72.071 -5.119 1.00 24.05 H new ATOM 0 HB3 LYS A 43 3.413 -70.829 -6.354 1.00 24.05 H new ATOM 0 HG2 LYS A 43 1.277 -70.021 -5.554 1.00 42.10 H new ATOM 0 HG3 LYS A 43 1.079 -71.402 -4.493 1.00 42.10 H new ATOM 0 HD2 LYS A 43 3.278 -69.305 -4.222 1.00 4.43 H new ATOM 0 HD3 LYS A 43 1.797 -69.326 -3.285 1.00 4.43 H new ATOM 0 HE2 LYS A 43 2.431 -71.627 -2.439 1.00 3.20 H new ATOM 0 HE3 LYS A 43 3.961 -71.472 -3.282 1.00 3.20 H new ATOM 0 HZ1 LYS A 43 4.285 -70.836 -1.036 1.00 10.25 H new ATOM 0 HZ2 LYS A 43 4.359 -69.415 -1.962 1.00 10.25 H new ATOM 0 HZ3 LYS A 43 2.964 -69.769 -1.061 1.00 10.25 H new ATOM 628 N VAL A 44 1.776 -71.180 -8.723 1.00 15.21 N ATOM 629 CA VAL A 44 1.012 -70.543 -9.789 1.00 11.51 C ATOM 630 C VAL A 44 1.395 -71.144 -11.144 1.00 43.13 C ATOM 631 O VAL A 44 2.261 -70.620 -11.847 1.00 73.31 O ATOM 632 CB VAL A 44 1.211 -69.000 -9.799 1.00 65.30 C ATOM 633 CG1 VAL A 44 0.480 -68.359 -8.622 1.00 4.45 C ATOM 634 CG2 VAL A 44 2.699 -68.631 -9.767 1.00 65.34 C ATOM 0 H VAL A 44 2.787 -71.116 -8.840 1.00 15.21 H new ATOM 0 HA VAL A 44 -0.045 -70.733 -9.601 1.00 11.51 H new ATOM 0 HB VAL A 44 0.788 -68.615 -10.727 1.00 65.30 H new ATOM 0 HG11 VAL A 44 0.630 -67.280 -8.645 1.00 4.45 H new ATOM 0 HG12 VAL A 44 -0.585 -68.579 -8.692 1.00 4.45 H new ATOM 0 HG13 VAL A 44 0.873 -68.760 -7.688 1.00 4.45 H new ATOM 0 HG21 VAL A 44 2.805 -67.546 -9.775 1.00 65.34 H new ATOM 0 HG22 VAL A 44 3.154 -69.034 -8.862 1.00 65.34 H new ATOM 0 HG23 VAL A 44 3.197 -69.051 -10.641 1.00 65.34 H new ATOM 644 N GLN A 45 0.765 -72.275 -11.478 1.00 50.12 N ATOM 645 CA GLN A 45 1.033 -72.994 -12.727 1.00 32.13 C ATOM 646 C GLN A 45 2.500 -73.430 -12.808 1.00 53.04 C ATOM 647 O GLN A 45 3.384 -72.643 -13.153 1.00 31.24 O ATOM 648 CB GLN A 45 0.645 -72.140 -13.948 1.00 23.21 C ATOM 649 CG GLN A 45 -0.853 -71.866 -14.051 1.00 74.44 C ATOM 650 CD GLN A 45 -1.669 -73.132 -14.271 1.00 75.11 C ATOM 651 OE1 GLN A 45 -1.206 -74.086 -14.899 1.00 53.52 O ATOM 652 NE2 GLN A 45 -2.888 -73.150 -13.757 1.00 75.34 N ATOM 0 H GLN A 45 0.057 -72.717 -10.892 1.00 50.12 H new ATOM 0 HA GLN A 45 0.416 -73.892 -12.734 1.00 32.13 H new ATOM 0 HB2 GLN A 45 1.177 -71.190 -13.900 1.00 23.21 H new ATOM 0 HB3 GLN A 45 0.977 -72.646 -14.855 1.00 23.21 H new ATOM 0 HG2 GLN A 45 -1.192 -71.375 -13.139 1.00 74.44 H new ATOM 0 HG3 GLN A 45 -1.036 -71.174 -14.873 1.00 74.44 H new ATOM 0 HE21 GLN A 45 -3.237 -72.341 -13.243 1.00 75.34 H new ATOM 0 HE22 GLN A 45 -3.479 -73.973 -13.875 1.00 75.34 H new ATOM 661 N GLY A 46 2.746 -74.691 -12.467 1.00 33.40 N ATOM 662 CA GLY A 46 4.096 -75.220 -12.458 1.00 5.31 C ATOM 663 C GLY A 46 4.707 -75.321 -13.841 1.00 42.35 C ATOM 664 O GLY A 46 4.470 -76.293 -14.565 1.00 52.52 O ATOM 0 H GLY A 46 2.026 -75.361 -12.195 1.00 33.40 H new ATOM 0 HA2 GLY A 46 4.725 -74.583 -11.836 1.00 5.31 H new ATOM 0 HA3 GLY A 46 4.089 -76.208 -11.998 1.00 5.31 H new ATOM 668 N VAL A 47 5.474 -74.301 -14.210 1.00 50.43 N ATOM 669 CA VAL A 47 6.259 -74.309 -15.439 1.00 62.01 C ATOM 670 C VAL A 47 7.726 -74.018 -15.113 1.00 63.33 C ATOM 671 O VAL A 47 8.045 -73.006 -14.483 1.00 24.14 O ATOM 672 CB VAL A 47 5.726 -73.284 -16.477 1.00 61.21 C ATOM 673 CG1 VAL A 47 4.347 -73.701 -16.992 1.00 73.20 C ATOM 674 CG2 VAL A 47 5.678 -71.873 -15.888 1.00 13.12 C ATOM 0 H VAL A 47 5.569 -73.444 -13.665 1.00 50.43 H new ATOM 0 HA VAL A 47 6.170 -75.299 -15.887 1.00 62.01 H new ATOM 0 HB VAL A 47 6.418 -73.272 -17.319 1.00 61.21 H new ATOM 0 HG11 VAL A 47 3.993 -72.969 -17.718 1.00 73.20 H new ATOM 0 HG12 VAL A 47 4.417 -74.679 -17.468 1.00 73.20 H new ATOM 0 HG13 VAL A 47 3.647 -73.753 -16.158 1.00 73.20 H new ATOM 0 HG21 VAL A 47 5.301 -71.178 -16.638 1.00 13.12 H new ATOM 0 HG22 VAL A 47 5.018 -71.863 -15.020 1.00 13.12 H new ATOM 0 HG23 VAL A 47 6.681 -71.571 -15.585 1.00 13.12 H new ATOM 684 N PHE A 48 8.610 -74.928 -15.505 1.00 44.21 N ATOM 685 CA PHE A 48 10.040 -74.787 -15.231 1.00 43.23 C ATOM 686 C PHE A 48 10.713 -74.012 -16.364 1.00 63.04 C ATOM 687 O PHE A 48 10.307 -74.117 -17.526 1.00 45.54 O ATOM 688 CB PHE A 48 10.681 -76.178 -15.060 1.00 61.12 C ATOM 689 CG PHE A 48 11.519 -76.338 -13.813 1.00 53.24 C ATOM 690 CD1 PHE A 48 11.090 -75.825 -12.594 1.00 42.11 C ATOM 691 CD2 PHE A 48 12.733 -77.007 -13.859 1.00 54.45 C ATOM 692 CE1 PHE A 48 11.853 -75.980 -11.452 1.00 23.41 C ATOM 693 CE2 PHE A 48 13.498 -77.165 -12.720 1.00 23.53 C ATOM 694 CZ PHE A 48 13.059 -76.649 -11.516 1.00 52.33 C ATOM 0 H PHE A 48 8.363 -75.776 -16.016 1.00 44.21 H new ATOM 0 HA PHE A 48 10.178 -74.229 -14.305 1.00 43.23 H new ATOM 0 HB2 PHE A 48 9.891 -76.928 -15.049 1.00 61.12 H new ATOM 0 HB3 PHE A 48 11.305 -76.385 -15.930 1.00 61.12 H new ATOM 0 HD1 PHE A 48 10.149 -75.299 -12.539 1.00 42.11 H new ATOM 0 HD2 PHE A 48 13.085 -77.410 -14.797 1.00 54.45 H new ATOM 0 HE1 PHE A 48 11.506 -75.578 -10.511 1.00 23.41 H new ATOM 0 HE2 PHE A 48 14.439 -77.692 -12.771 1.00 23.53 H new ATOM 0 HZ PHE A 48 13.659 -76.769 -10.626 1.00 52.33 H new ATOM 704 N PHE A 49 11.738 -73.233 -16.028 1.00 15.34 N ATOM 705 CA PHE A 49 12.407 -72.376 -17.006 1.00 4.40 C ATOM 706 C PHE A 49 13.672 -73.035 -17.563 1.00 62.32 C ATOM 707 O PHE A 49 14.643 -73.284 -16.834 1.00 1.00 O ATOM 708 CB PHE A 49 12.716 -71.009 -16.382 1.00 33.40 C ATOM 709 CG PHE A 49 11.471 -70.200 -16.113 1.00 61.25 C ATOM 710 CD1 PHE A 49 10.719 -70.414 -14.966 1.00 2.54 C ATOM 711 CD2 PHE A 49 11.042 -69.236 -17.016 1.00 61.52 C ATOM 712 CE1 PHE A 49 9.569 -69.686 -14.726 1.00 70.11 C ATOM 713 CE2 PHE A 49 9.893 -68.505 -16.779 1.00 52.45 C ATOM 714 CZ PHE A 49 9.157 -68.729 -15.634 1.00 63.23 C ATOM 0 H PHE A 49 12.124 -73.177 -15.086 1.00 15.34 H new ATOM 0 HA PHE A 49 11.732 -72.228 -17.849 1.00 4.40 H new ATOM 0 HB2 PHE A 49 13.259 -71.154 -15.448 1.00 33.40 H new ATOM 0 HB3 PHE A 49 13.372 -70.449 -17.049 1.00 33.40 H new ATOM 0 HD1 PHE A 49 11.037 -71.159 -14.252 1.00 2.54 H new ATOM 0 HD2 PHE A 49 11.613 -69.055 -17.915 1.00 61.52 H new ATOM 0 HE1 PHE A 49 8.993 -69.865 -13.830 1.00 70.11 H new ATOM 0 HE2 PHE A 49 9.572 -67.759 -17.490 1.00 52.45 H new ATOM 0 HZ PHE A 49 8.260 -68.157 -15.447 1.00 63.23 H new ATOM 724 N ARG A 50 13.637 -73.294 -18.874 1.00 20.24 N ATOM 725 CA ARG A 50 14.705 -73.982 -19.601 1.00 11.11 C ATOM 726 C ARG A 50 16.077 -73.397 -19.271 1.00 62.02 C ATOM 727 O ARG A 50 17.037 -74.136 -19.063 1.00 13.04 O ATOM 728 CB ARG A 50 14.452 -73.868 -21.114 1.00 4.24 C ATOM 729 CG ARG A 50 15.312 -74.793 -21.973 1.00 63.42 C ATOM 730 CD ARG A 50 14.786 -76.224 -21.972 1.00 31.41 C ATOM 731 NE ARG A 50 13.429 -76.301 -22.526 1.00 52.04 N ATOM 732 CZ ARG A 50 13.012 -77.237 -23.380 1.00 22.45 C ATOM 733 NH1 ARG A 50 13.840 -78.180 -23.809 1.00 12.14 N ATOM 734 NH2 ARG A 50 11.762 -77.219 -23.819 1.00 70.43 N ATOM 0 H ARG A 50 12.852 -73.026 -19.468 1.00 20.24 H new ATOM 0 HA ARG A 50 14.700 -75.028 -19.295 1.00 11.11 H new ATOM 0 HB2 ARG A 50 13.402 -74.083 -21.311 1.00 4.24 H new ATOM 0 HB3 ARG A 50 14.630 -72.838 -21.422 1.00 4.24 H new ATOM 0 HG2 ARG A 50 15.339 -74.417 -22.996 1.00 63.42 H new ATOM 0 HG3 ARG A 50 16.337 -74.783 -21.603 1.00 63.42 H new ATOM 0 HD2 ARG A 50 15.454 -76.858 -22.555 1.00 31.41 H new ATOM 0 HD3 ARG A 50 14.786 -76.612 -20.953 1.00 31.41 H new ATOM 0 HE ARG A 50 12.758 -75.589 -22.238 1.00 52.04 H new ATOM 0 HH11 ARG A 50 14.807 -78.195 -23.486 1.00 12.14 H new ATOM 0 HH12 ARG A 50 13.509 -78.890 -24.462 1.00 12.14 H new ATOM 0 HH21 ARG A 50 11.121 -76.491 -23.504 1.00 70.43 H new ATOM 0 HH22 ARG A 50 11.440 -77.934 -24.472 1.00 70.43 H new ATOM 748 N LYS A 51 16.153 -72.065 -19.233 1.00 31.42 N ATOM 749 CA LYS A 51 17.407 -71.355 -18.967 1.00 51.24 C ATOM 750 C LYS A 51 18.099 -71.894 -17.715 1.00 43.40 C ATOM 751 O LYS A 51 19.219 -72.407 -17.778 1.00 4.25 O ATOM 752 CB LYS A 51 17.140 -69.849 -18.803 1.00 42.54 C ATOM 753 CG LYS A 51 18.375 -69.038 -18.407 1.00 63.21 C ATOM 754 CD LYS A 51 18.037 -67.567 -18.177 1.00 2.41 C ATOM 755 CE LYS A 51 19.242 -66.778 -17.672 1.00 61.10 C ATOM 756 NZ LYS A 51 20.373 -66.806 -18.638 1.00 63.52 N ATOM 0 H LYS A 51 15.353 -71.451 -19.385 1.00 31.42 H new ATOM 0 HA LYS A 51 18.067 -71.518 -19.819 1.00 51.24 H new ATOM 0 HB2 LYS A 51 16.745 -69.456 -19.740 1.00 42.54 H new ATOM 0 HB3 LYS A 51 16.367 -69.708 -18.047 1.00 42.54 H new ATOM 0 HG2 LYS A 51 18.810 -69.457 -17.500 1.00 63.21 H new ATOM 0 HG3 LYS A 51 19.130 -69.120 -19.189 1.00 63.21 H new ATOM 0 HD2 LYS A 51 17.679 -67.127 -19.108 1.00 2.41 H new ATOM 0 HD3 LYS A 51 17.224 -67.490 -17.455 1.00 2.41 H new ATOM 0 HE2 LYS A 51 18.947 -65.745 -17.489 1.00 61.10 H new ATOM 0 HE3 LYS A 51 19.570 -67.190 -16.718 1.00 61.10 H new ATOM 0 HZ1 LYS A 51 21.124 -66.164 -18.313 1.00 63.52 H new ATOM 0 HZ2 LYS A 51 20.749 -67.773 -18.704 1.00 63.52 H new ATOM 0 HZ3 LYS A 51 20.038 -66.500 -19.574 1.00 63.52 H new ATOM 770 N TYR A 52 17.413 -71.788 -16.584 1.00 33.33 N ATOM 771 CA TYR A 52 17.980 -72.191 -15.303 1.00 52.21 C ATOM 772 C TYR A 52 18.139 -73.705 -15.226 1.00 31.13 C ATOM 773 O TYR A 52 19.110 -74.203 -14.648 1.00 33.12 O ATOM 774 CB TYR A 52 17.113 -71.665 -14.153 1.00 51.11 C ATOM 775 CG TYR A 52 17.157 -70.152 -14.018 1.00 65.03 C ATOM 776 CD1 TYR A 52 18.187 -69.531 -13.318 1.00 73.20 C ATOM 777 CD2 TYR A 52 16.184 -69.346 -14.605 1.00 31.11 C ATOM 778 CE1 TYR A 52 18.244 -68.155 -13.203 1.00 34.30 C ATOM 779 CE2 TYR A 52 16.239 -67.969 -14.494 1.00 52.05 C ATOM 780 CZ TYR A 52 17.270 -67.379 -13.792 1.00 23.30 C ATOM 781 OH TYR A 52 17.331 -66.007 -13.684 1.00 53.21 O ATOM 0 H TYR A 52 16.461 -71.426 -16.528 1.00 33.33 H new ATOM 0 HA TYR A 52 18.974 -71.754 -15.211 1.00 52.21 H new ATOM 0 HB2 TYR A 52 16.081 -71.980 -14.310 1.00 51.11 H new ATOM 0 HB3 TYR A 52 17.446 -72.117 -13.219 1.00 51.11 H new ATOM 0 HD1 TYR A 52 18.955 -70.135 -12.857 1.00 73.20 H new ATOM 0 HD2 TYR A 52 15.375 -69.804 -15.155 1.00 31.11 H new ATOM 0 HE1 TYR A 52 19.049 -67.690 -12.653 1.00 34.30 H new ATOM 0 HE2 TYR A 52 15.478 -67.357 -14.955 1.00 52.05 H new ATOM 0 HH TYR A 52 16.570 -65.608 -14.156 1.00 53.21 H new ATOM 791 N THR A 53 17.201 -74.433 -15.830 1.00 44.10 N ATOM 792 CA THR A 53 17.265 -75.889 -15.852 1.00 3.41 C ATOM 793 C THR A 53 18.567 -76.360 -16.511 1.00 73.23 C ATOM 794 O THR A 53 19.346 -77.118 -15.914 1.00 72.33 O ATOM 795 CB THR A 53 16.054 -76.485 -16.604 1.00 45.12 C ATOM 796 OG1 THR A 53 14.841 -75.956 -16.055 1.00 53.20 O ATOM 797 CG2 THR A 53 16.035 -78.008 -16.510 1.00 71.23 C ATOM 0 H THR A 53 16.391 -74.038 -16.308 1.00 44.10 H new ATOM 0 HA THR A 53 17.241 -76.239 -14.820 1.00 3.41 H new ATOM 0 HB THR A 53 16.139 -76.211 -17.655 1.00 45.12 H new ATOM 0 HG1 THR A 53 14.716 -75.035 -16.366 1.00 53.20 H new ATOM 0 HG21 THR A 53 15.171 -78.395 -17.049 1.00 71.23 H new ATOM 0 HG22 THR A 53 16.947 -78.411 -16.950 1.00 71.23 H new ATOM 0 HG23 THR A 53 15.973 -78.307 -15.464 1.00 71.23 H new ATOM 805 N LYS A 54 18.822 -75.874 -17.729 1.00 52.34 N ATOM 806 CA LYS A 54 20.012 -76.279 -18.472 1.00 30.44 C ATOM 807 C LYS A 54 21.266 -75.709 -17.830 1.00 3.54 C ATOM 808 O LYS A 54 22.305 -76.347 -17.854 1.00 44.10 O ATOM 809 CB LYS A 54 19.960 -75.847 -19.948 1.00 40.44 C ATOM 810 CG LYS A 54 19.915 -74.331 -20.165 1.00 35.45 C ATOM 811 CD LYS A 54 20.579 -73.910 -21.479 1.00 30.33 C ATOM 812 CE LYS A 54 22.090 -73.695 -21.329 1.00 3.15 C ATOM 813 NZ LYS A 54 22.826 -74.927 -20.922 1.00 23.31 N ATOM 0 H LYS A 54 18.225 -75.206 -18.216 1.00 52.34 H new ATOM 0 HA LYS A 54 20.040 -77.368 -18.439 1.00 30.44 H new ATOM 0 HB2 LYS A 54 20.833 -76.249 -20.462 1.00 40.44 H new ATOM 0 HB3 LYS A 54 19.082 -76.294 -20.414 1.00 40.44 H new ATOM 0 HG2 LYS A 54 18.878 -73.997 -20.162 1.00 35.45 H new ATOM 0 HG3 LYS A 54 20.413 -73.833 -19.333 1.00 35.45 H new ATOM 0 HD2 LYS A 54 20.397 -74.673 -22.236 1.00 30.33 H new ATOM 0 HD3 LYS A 54 20.118 -72.990 -21.837 1.00 30.33 H new ATOM 0 HE2 LYS A 54 22.494 -73.335 -22.275 1.00 3.15 H new ATOM 0 HE3 LYS A 54 22.267 -72.914 -20.589 1.00 3.15 H new ATOM 0 HZ1 LYS A 54 23.846 -74.786 -21.066 1.00 23.31 H new ATOM 0 HZ2 LYS A 54 22.643 -75.125 -19.918 1.00 23.31 H new ATOM 0 HZ3 LYS A 54 22.503 -75.731 -21.498 1.00 23.31 H new ATOM 827 N LYS A 55 21.175 -74.500 -17.284 1.00 61.15 N ATOM 828 CA LYS A 55 22.330 -73.867 -16.650 1.00 23.30 C ATOM 829 C LYS A 55 22.850 -74.744 -15.517 1.00 15.04 C ATOM 830 O LYS A 55 24.031 -75.104 -15.480 1.00 2.24 O ATOM 831 CB LYS A 55 21.960 -72.475 -16.111 1.00 11.43 C ATOM 832 CG LYS A 55 23.123 -71.741 -15.445 1.00 64.44 C ATOM 833 CD LYS A 55 22.695 -70.396 -14.865 1.00 65.33 C ATOM 834 CE LYS A 55 23.867 -69.667 -14.218 1.00 14.41 C ATOM 835 NZ LYS A 55 24.943 -69.359 -15.200 1.00 63.50 N ATOM 0 H LYS A 55 20.322 -73.942 -17.267 1.00 61.15 H new ATOM 0 HA LYS A 55 23.113 -73.750 -17.399 1.00 23.30 H new ATOM 0 HB2 LYS A 55 21.582 -71.867 -16.932 1.00 11.43 H new ATOM 0 HB3 LYS A 55 21.148 -72.579 -15.391 1.00 11.43 H new ATOM 0 HG2 LYS A 55 23.537 -72.363 -14.651 1.00 64.44 H new ATOM 0 HG3 LYS A 55 23.918 -71.585 -16.174 1.00 64.44 H new ATOM 0 HD2 LYS A 55 22.271 -69.776 -15.655 1.00 65.33 H new ATOM 0 HD3 LYS A 55 21.909 -70.551 -14.126 1.00 65.33 H new ATOM 0 HE2 LYS A 55 23.513 -68.741 -13.766 1.00 14.41 H new ATOM 0 HE3 LYS A 55 24.275 -70.279 -13.413 1.00 14.41 H new ATOM 0 HZ1 LYS A 55 25.611 -68.681 -14.782 1.00 63.50 H new ATOM 0 HZ2 LYS A 55 25.448 -70.234 -15.448 1.00 63.50 H new ATOM 0 HZ3 LYS A 55 24.523 -68.947 -16.057 1.00 63.50 H new ATOM 849 N GLU A 56 21.943 -75.122 -14.624 1.00 61.35 N ATOM 850 CA GLU A 56 22.284 -75.940 -13.470 1.00 4.44 C ATOM 851 C GLU A 56 22.761 -77.321 -13.919 1.00 34.44 C ATOM 852 O GLU A 56 23.871 -77.756 -13.587 1.00 61.15 O ATOM 853 CB GLU A 56 21.060 -76.085 -12.556 1.00 12.34 C ATOM 854 CG GLU A 56 21.361 -76.754 -11.223 1.00 53.51 C ATOM 855 CD GLU A 56 22.274 -75.909 -10.342 1.00 25.14 C ATOM 856 OE1 GLU A 56 21.864 -74.790 -9.953 1.00 24.04 O ATOM 857 OE2 GLU A 56 23.399 -76.347 -10.029 1.00 63.10 O ATOM 0 H GLU A 56 20.956 -74.871 -14.680 1.00 61.35 H new ATOM 0 HA GLU A 56 23.089 -75.453 -12.921 1.00 4.44 H new ATOM 0 HB2 GLU A 56 20.640 -75.097 -12.369 1.00 12.34 H new ATOM 0 HB3 GLU A 56 20.296 -76.663 -13.077 1.00 12.34 H new ATOM 0 HG2 GLU A 56 20.426 -76.944 -10.696 1.00 53.51 H new ATOM 0 HG3 GLU A 56 21.828 -77.722 -11.403 1.00 53.51 H new ATOM 864 N ALA A 57 21.918 -77.992 -14.700 1.00 2.01 N ATOM 865 CA ALA A 57 22.188 -79.360 -15.126 1.00 74.43 C ATOM 866 C ALA A 57 23.478 -79.456 -15.943 1.00 71.13 C ATOM 867 O ALA A 57 24.235 -80.409 -15.792 1.00 12.10 O ATOM 868 CB ALA A 57 21.004 -79.906 -15.913 1.00 4.12 C ATOM 0 H ALA A 57 21.040 -77.608 -15.051 1.00 2.01 H new ATOM 0 HA ALA A 57 22.329 -79.969 -14.233 1.00 74.43 H new ATOM 0 HB1 ALA A 57 21.216 -80.928 -16.227 1.00 4.12 H new ATOM 0 HB2 ALA A 57 20.114 -79.896 -15.284 1.00 4.12 H new ATOM 0 HB3 ALA A 57 20.834 -79.285 -16.792 1.00 4.12 H new ATOM 874 N ASP A 58 23.727 -78.461 -16.790 1.00 44.45 N ATOM 875 CA ASP A 58 24.926 -78.438 -17.637 1.00 61.14 C ATOM 876 C ASP A 58 26.162 -78.128 -16.797 1.00 50.21 C ATOM 877 O ASP A 58 27.223 -78.727 -16.989 1.00 33.21 O ATOM 878 CB ASP A 58 24.766 -77.392 -18.754 1.00 0.41 C ATOM 879 CG ASP A 58 25.961 -77.304 -19.699 1.00 35.12 C ATOM 880 OD1 ASP A 58 26.903 -76.539 -19.409 1.00 22.10 O ATOM 881 OD2 ASP A 58 25.938 -77.961 -20.763 1.00 32.14 O ATOM 0 H ASP A 58 23.114 -77.655 -16.912 1.00 44.45 H new ATOM 0 HA ASP A 58 25.052 -79.421 -18.092 1.00 61.14 H new ATOM 0 HB2 ASP A 58 23.874 -77.629 -19.334 1.00 0.41 H new ATOM 0 HB3 ASP A 58 24.601 -76.414 -18.301 1.00 0.41 H new ATOM 886 N ALA A 59 26.009 -77.196 -15.855 1.00 41.11 N ATOM 887 CA ALA A 59 27.110 -76.784 -14.987 1.00 31.13 C ATOM 888 C ALA A 59 27.624 -77.950 -14.144 1.00 41.12 C ATOM 889 O ALA A 59 28.831 -78.186 -14.062 1.00 73.43 O ATOM 890 CB ALA A 59 26.678 -75.631 -14.084 1.00 33.22 C ATOM 0 H ALA A 59 25.130 -76.712 -15.674 1.00 41.11 H new ATOM 0 HA ALA A 59 27.925 -76.446 -15.627 1.00 31.13 H new ATOM 0 HB1 ALA A 59 27.511 -75.338 -13.445 1.00 33.22 H new ATOM 0 HB2 ALA A 59 26.375 -74.782 -14.697 1.00 33.22 H new ATOM 0 HB3 ALA A 59 25.839 -75.949 -13.464 1.00 33.22 H new ATOM 896 N LEU A 60 26.704 -78.678 -13.515 1.00 54.24 N ATOM 897 CA LEU A 60 27.076 -79.797 -12.642 1.00 74.52 C ATOM 898 C LEU A 60 27.088 -81.125 -13.412 1.00 2.20 C ATOM 899 O LEU A 60 27.588 -82.133 -12.909 1.00 5.04 O ATOM 900 CB LEU A 60 26.113 -79.875 -11.442 1.00 10.34 C ATOM 901 CG LEU A 60 26.314 -78.823 -10.330 1.00 60.33 C ATOM 902 CD1 LEU A 60 27.621 -79.062 -9.579 1.00 41.11 C ATOM 903 CD2 LEU A 60 26.268 -77.402 -10.890 1.00 51.52 C ATOM 0 H LEU A 60 25.700 -78.517 -13.591 1.00 54.24 H new ATOM 0 HA LEU A 60 28.086 -79.619 -12.273 1.00 74.52 H new ATOM 0 HB2 LEU A 60 25.093 -79.786 -11.816 1.00 10.34 H new ATOM 0 HB3 LEU A 60 26.203 -80.865 -10.996 1.00 10.34 H new ATOM 0 HG LEU A 60 25.489 -78.932 -9.626 1.00 60.33 H new ATOM 0 HD11 LEU A 60 27.737 -78.307 -8.802 1.00 41.11 H new ATOM 0 HD12 LEU A 60 27.603 -80.052 -9.123 1.00 41.11 H new ATOM 0 HD13 LEU A 60 28.457 -78.998 -10.275 1.00 41.11 H new ATOM 0 HD21 LEU A 60 26.413 -76.687 -10.080 1.00 51.52 H new ATOM 0 HD22 LEU A 60 27.058 -77.277 -11.630 1.00 51.52 H new ATOM 0 HD23 LEU A 60 25.300 -77.227 -11.360 1.00 51.52 H new ATOM 915 N SER A 61 26.534 -81.116 -14.624 1.00 74.52 N ATOM 916 CA SER A 61 26.545 -82.274 -15.522 1.00 3.53 C ATOM 917 C SER A 61 25.687 -83.421 -14.969 1.00 64.03 C ATOM 918 O SER A 61 26.184 -84.516 -14.687 1.00 34.12 O ATOM 919 CB SER A 61 27.987 -82.742 -15.799 1.00 74.53 C ATOM 920 OG SER A 61 28.015 -83.813 -16.730 1.00 63.03 O ATOM 0 H SER A 61 26.062 -80.301 -15.014 1.00 74.52 H new ATOM 0 HA SER A 61 26.104 -81.963 -16.469 1.00 3.53 H new ATOM 0 HB2 SER A 61 28.574 -81.908 -16.184 1.00 74.53 H new ATOM 0 HB3 SER A 61 28.454 -83.057 -14.866 1.00 74.53 H new ATOM 0 HG SER A 61 28.943 -84.086 -16.886 1.00 63.03 H new ATOM 926 N LEU A 62 24.390 -83.153 -14.814 1.00 73.12 N ATOM 927 CA LEU A 62 23.432 -84.181 -14.403 1.00 32.44 C ATOM 928 C LEU A 62 22.794 -84.814 -15.639 1.00 13.42 C ATOM 929 O LEU A 62 22.648 -84.155 -16.670 1.00 54.02 O ATOM 930 CB LEU A 62 22.328 -83.597 -13.495 1.00 62.02 C ATOM 931 CG LEU A 62 22.786 -83.068 -12.120 1.00 31.13 C ATOM 932 CD1 LEU A 62 23.642 -84.108 -11.400 1.00 22.14 C ATOM 933 CD2 LEU A 62 23.525 -81.743 -12.265 1.00 20.31 C ATOM 0 H LEU A 62 23.978 -82.232 -14.967 1.00 73.12 H new ATOM 0 HA LEU A 62 23.974 -84.936 -13.834 1.00 32.44 H new ATOM 0 HB2 LEU A 62 21.840 -82.783 -14.030 1.00 62.02 H new ATOM 0 HB3 LEU A 62 21.575 -84.368 -13.332 1.00 62.02 H new ATOM 0 HG LEU A 62 21.901 -82.885 -11.511 1.00 31.13 H new ATOM 0 HD11 LEU A 62 23.955 -83.715 -10.433 1.00 22.14 H new ATOM 0 HD12 LEU A 62 23.061 -85.018 -11.251 1.00 22.14 H new ATOM 0 HD13 LEU A 62 24.522 -84.334 -12.001 1.00 22.14 H new ATOM 0 HD21 LEU A 62 23.837 -81.391 -11.282 1.00 20.31 H new ATOM 0 HD22 LEU A 62 24.403 -81.883 -12.896 1.00 20.31 H new ATOM 0 HD23 LEU A 62 22.864 -81.006 -12.721 1.00 20.31 H new ATOM 945 N VAL A 63 22.428 -86.088 -15.538 1.00 63.31 N ATOM 946 CA VAL A 63 21.740 -86.783 -16.624 1.00 53.30 C ATOM 947 C VAL A 63 20.417 -87.359 -16.121 1.00 24.01 C ATOM 948 O VAL A 63 20.194 -87.442 -14.913 1.00 52.40 O ATOM 949 CB VAL A 63 22.609 -87.913 -17.242 1.00 11.42 C ATOM 950 CG1 VAL A 63 23.880 -87.337 -17.861 1.00 23.31 C ATOM 951 CG2 VAL A 63 22.947 -88.982 -16.204 1.00 10.23 C ATOM 0 H VAL A 63 22.597 -86.663 -14.713 1.00 63.31 H new ATOM 0 HA VAL A 63 21.549 -86.051 -17.409 1.00 53.30 H new ATOM 0 HB VAL A 63 22.028 -88.389 -18.032 1.00 11.42 H new ATOM 0 HG11 VAL A 63 24.475 -88.144 -18.288 1.00 23.31 H new ATOM 0 HG12 VAL A 63 23.614 -86.628 -18.645 1.00 23.31 H new ATOM 0 HG13 VAL A 63 24.460 -86.827 -17.092 1.00 23.31 H new ATOM 0 HG21 VAL A 63 23.556 -89.759 -16.667 1.00 10.23 H new ATOM 0 HG22 VAL A 63 23.501 -88.529 -15.382 1.00 10.23 H new ATOM 0 HG23 VAL A 63 22.026 -89.422 -15.822 1.00 10.23 H new ATOM 961 N GLY A 64 19.542 -87.734 -17.047 1.00 15.23 N ATOM 962 CA GLY A 64 18.234 -88.261 -16.686 1.00 55.25 C ATOM 963 C GLY A 64 17.166 -87.792 -17.654 1.00 30.41 C ATOM 964 O GLY A 64 17.314 -87.962 -18.869 1.00 63.55 O ATOM 0 H GLY A 64 19.715 -87.683 -18.051 1.00 15.23 H new ATOM 0 HA2 GLY A 64 18.268 -89.350 -16.678 1.00 55.25 H new ATOM 0 HA3 GLY A 64 17.977 -87.943 -15.676 1.00 55.25 H new ATOM 968 N TYR A 65 16.095 -87.197 -17.133 1.00 73.32 N ATOM 969 CA TYR A 65 15.035 -86.647 -17.978 1.00 13.32 C ATOM 970 C TYR A 65 14.101 -85.758 -17.173 1.00 31.43 C ATOM 971 O TYR A 65 13.841 -86.023 -16.003 1.00 30.44 O ATOM 972 CB TYR A 65 14.270 -87.775 -18.706 1.00 12.34 C ATOM 973 CG TYR A 65 12.757 -87.803 -18.516 1.00 12.32 C ATOM 974 CD1 TYR A 65 11.910 -87.093 -19.366 1.00 43.24 C ATOM 975 CD2 TYR A 65 12.180 -88.560 -17.497 1.00 2.54 C ATOM 976 CE1 TYR A 65 10.537 -87.134 -19.203 1.00 74.34 C ATOM 977 CE2 TYR A 65 10.810 -88.609 -17.333 1.00 14.21 C ATOM 978 CZ TYR A 65 9.993 -87.895 -18.184 1.00 4.14 C ATOM 979 OH TYR A 65 8.626 -87.948 -18.021 1.00 22.34 O ATOM 0 H TYR A 65 15.937 -87.083 -16.132 1.00 73.32 H new ATOM 0 HA TYR A 65 15.497 -86.021 -18.742 1.00 13.32 H new ATOM 0 HB2 TYR A 65 14.479 -87.695 -19.773 1.00 12.34 H new ATOM 0 HB3 TYR A 65 14.674 -88.731 -18.373 1.00 12.34 H new ATOM 0 HD1 TYR A 65 12.333 -86.501 -20.165 1.00 43.24 H new ATOM 0 HD2 TYR A 65 12.815 -89.117 -16.825 1.00 2.54 H new ATOM 0 HE1 TYR A 65 9.894 -86.575 -19.867 1.00 74.34 H new ATOM 0 HE2 TYR A 65 10.380 -89.204 -16.541 1.00 14.21 H new ATOM 0 HH TYR A 65 8.409 -88.527 -17.261 1.00 22.34 H new ATOM 989 N VAL A 66 13.623 -84.692 -17.811 1.00 23.54 N ATOM 990 CA VAL A 66 12.687 -83.750 -17.187 1.00 72.34 C ATOM 991 C VAL A 66 11.605 -83.345 -18.185 1.00 10.41 C ATOM 992 O VAL A 66 11.908 -83.090 -19.352 1.00 63.31 O ATOM 993 CB VAL A 66 13.407 -82.475 -16.651 1.00 1.11 C ATOM 994 CG1 VAL A 66 12.430 -81.311 -16.462 1.00 51.44 C ATOM 995 CG2 VAL A 66 14.125 -82.771 -15.334 1.00 12.42 C ATOM 0 H VAL A 66 13.870 -84.454 -18.772 1.00 23.54 H new ATOM 0 HA VAL A 66 12.235 -84.260 -16.336 1.00 72.34 H new ATOM 0 HB VAL A 66 14.143 -82.182 -17.400 1.00 1.11 H new ATOM 0 HG11 VAL A 66 12.969 -80.441 -16.087 1.00 51.44 H new ATOM 0 HG12 VAL A 66 11.966 -81.067 -17.418 1.00 51.44 H new ATOM 0 HG13 VAL A 66 11.659 -81.596 -15.746 1.00 51.44 H new ATOM 0 HG21 VAL A 66 14.620 -81.867 -14.979 1.00 12.42 H new ATOM 0 HG22 VAL A 66 13.400 -83.104 -14.591 1.00 12.42 H new ATOM 0 HG23 VAL A 66 14.867 -83.553 -15.492 1.00 12.42 H new ATOM 1005 N THR A 67 10.359 -83.288 -17.701 1.00 33.35 N ATOM 1006 CA THR A 67 9.195 -82.898 -18.496 1.00 62.00 C ATOM 1007 C THR A 67 8.255 -82.043 -17.642 1.00 43.22 C ATOM 1008 O THR A 67 8.343 -82.063 -16.409 1.00 43.20 O ATOM 1009 CB THR A 67 8.418 -84.138 -19.016 1.00 20.20 C ATOM 1010 OG1 THR A 67 7.340 -83.732 -19.866 1.00 12.03 O ATOM 1011 CG2 THR A 67 7.842 -84.958 -17.874 1.00 52.41 C ATOM 0 H THR A 67 10.131 -83.515 -16.733 1.00 33.35 H new ATOM 0 HA THR A 67 9.552 -82.330 -19.355 1.00 62.00 H new ATOM 0 HB THR A 67 9.130 -84.749 -19.571 1.00 20.20 H new ATOM 0 HG1 THR A 67 6.861 -84.524 -20.187 1.00 12.03 H new ATOM 0 HG21 THR A 67 7.306 -85.817 -18.277 1.00 52.41 H new ATOM 0 HG22 THR A 67 8.651 -85.305 -17.231 1.00 52.41 H new ATOM 0 HG23 THR A 67 7.156 -84.342 -17.293 1.00 52.41 H new ATOM 1019 N ASN A 68 7.357 -81.303 -18.288 1.00 24.14 N ATOM 1020 CA ASN A 68 6.403 -80.456 -17.572 1.00 73.40 C ATOM 1021 C ASN A 68 4.978 -80.930 -17.849 1.00 73.12 C ATOM 1022 O ASN A 68 4.576 -81.068 -19.003 1.00 10.52 O ATOM 1023 CB ASN A 68 6.557 -78.990 -17.992 1.00 71.15 C ATOM 1024 CG ASN A 68 5.969 -78.022 -16.975 1.00 11.14 C ATOM 1025 OD1 ASN A 68 6.682 -77.514 -16.112 1.00 14.14 O ATOM 1026 ND2 ASN A 68 4.671 -77.771 -17.053 1.00 71.23 N ATOM 0 H ASN A 68 7.269 -81.272 -19.304 1.00 24.14 H new ATOM 0 HA ASN A 68 6.607 -80.532 -16.504 1.00 73.40 H new ATOM 0 HB2 ASN A 68 7.614 -78.766 -18.132 1.00 71.15 H new ATOM 0 HB3 ASN A 68 6.069 -78.839 -18.955 1.00 71.15 H new ATOM 0 HD21 ASN A 68 4.233 -77.138 -16.384 1.00 71.23 H new ATOM 0 HD22 ASN A 68 4.110 -78.210 -17.782 1.00 71.23 H new ATOM 1033 N ASN A 69 4.221 -81.174 -16.790 1.00 74.00 N ATOM 1034 CA ASN A 69 2.862 -81.700 -16.912 1.00 52.24 C ATOM 1035 C ASN A 69 1.854 -80.569 -17.069 1.00 5.25 C ATOM 1036 O ASN A 69 2.031 -79.488 -16.502 1.00 52.52 O ATOM 1037 CB ASN A 69 2.498 -82.549 -15.684 1.00 72.13 C ATOM 1038 CG ASN A 69 3.287 -83.846 -15.607 1.00 72.22 C ATOM 1039 OD1 ASN A 69 2.867 -84.869 -16.139 1.00 2.34 O ATOM 1040 ND2 ASN A 69 4.433 -83.809 -14.947 1.00 31.15 N ATOM 0 H ASN A 69 4.524 -81.016 -15.829 1.00 74.00 H new ATOM 0 HA ASN A 69 2.827 -82.328 -17.802 1.00 52.24 H new ATOM 0 HB2 ASN A 69 2.677 -81.967 -14.780 1.00 72.13 H new ATOM 0 HB3 ASN A 69 1.433 -82.779 -15.710 1.00 72.13 H new ATOM 0 HD21 ASN A 69 5.003 -84.651 -14.866 1.00 31.15 H new ATOM 0 HD22 ASN A 69 4.747 -82.938 -14.519 1.00 31.15 H new ATOM 1047 N GLU A 70 0.794 -80.832 -17.832 1.00 63.52 N ATOM 1048 CA GLU A 70 -0.285 -79.863 -18.033 1.00 54.22 C ATOM 1049 C GLU A 70 -0.895 -79.433 -16.697 1.00 23.41 C ATOM 1050 O GLU A 70 -1.347 -78.296 -16.543 1.00 22.31 O ATOM 1051 CB GLU A 70 -1.373 -80.460 -18.936 1.00 35.24 C ATOM 1052 CG GLU A 70 -1.948 -81.782 -18.428 1.00 73.50 C ATOM 1053 CD GLU A 70 -3.209 -82.198 -19.167 1.00 44.50 C ATOM 1054 OE1 GLU A 70 -3.103 -82.730 -20.291 1.00 22.30 O ATOM 1055 OE2 GLU A 70 -4.316 -81.991 -18.622 1.00 32.11 O ATOM 0 H GLU A 70 0.658 -81.715 -18.325 1.00 63.52 H new ATOM 0 HA GLU A 70 0.139 -78.982 -18.516 1.00 54.22 H new ATOM 0 HB2 GLU A 70 -2.183 -79.738 -19.036 1.00 35.24 H new ATOM 0 HB3 GLU A 70 -0.959 -80.615 -19.932 1.00 35.24 H new ATOM 0 HG2 GLU A 70 -1.196 -82.564 -18.533 1.00 73.50 H new ATOM 0 HG3 GLU A 70 -2.169 -81.692 -17.364 1.00 73.50 H new ATOM 1062 N ASP A 71 -0.880 -80.346 -15.729 1.00 53.44 N ATOM 1063 CA ASP A 71 -1.447 -80.099 -14.399 1.00 52.32 C ATOM 1064 C ASP A 71 -0.667 -79.004 -13.664 1.00 60.33 C ATOM 1065 O ASP A 71 -1.120 -78.475 -12.649 1.00 61.33 O ATOM 1066 CB ASP A 71 -1.440 -81.402 -13.581 1.00 72.43 C ATOM 1067 CG ASP A 71 -2.199 -81.286 -12.261 1.00 73.01 C ATOM 1068 OD1 ASP A 71 -3.448 -81.343 -12.281 1.00 44.11 O ATOM 1069 OD2 ASP A 71 -1.555 -81.144 -11.199 1.00 23.34 O ATOM 0 H ASP A 71 -0.477 -81.276 -15.840 1.00 53.44 H new ATOM 0 HA ASP A 71 -2.475 -79.756 -14.518 1.00 52.32 H new ATOM 0 HB2 ASP A 71 -1.881 -82.201 -14.178 1.00 72.43 H new ATOM 0 HB3 ASP A 71 -0.409 -81.689 -13.376 1.00 72.43 H new ATOM 1074 N GLY A 72 0.505 -78.660 -14.194 1.00 2.22 N ATOM 1075 CA GLY A 72 1.338 -77.645 -13.577 1.00 24.21 C ATOM 1076 C GLY A 72 2.316 -78.247 -12.590 1.00 64.40 C ATOM 1077 O GLY A 72 2.417 -77.795 -11.447 1.00 24.14 O ATOM 0 H GLY A 72 0.892 -79.070 -15.044 1.00 2.22 H new ATOM 0 HA2 GLY A 72 1.886 -77.105 -14.349 1.00 24.21 H new ATOM 0 HA3 GLY A 72 0.707 -76.917 -13.066 1.00 24.21 H new ATOM 1081 N SER A 73 3.037 -79.266 -13.035 1.00 74.30 N ATOM 1082 CA SER A 73 3.993 -79.971 -12.191 1.00 53.52 C ATOM 1083 C SER A 73 5.144 -80.499 -13.044 1.00 5.24 C ATOM 1084 O SER A 73 4.918 -81.109 -14.089 1.00 20.32 O ATOM 1085 CB SER A 73 3.294 -81.129 -11.454 1.00 23.04 C ATOM 1086 OG SER A 73 4.174 -81.801 -10.563 1.00 33.31 O ATOM 0 H SER A 73 2.977 -79.627 -13.987 1.00 74.30 H new ATOM 0 HA SER A 73 4.394 -79.280 -11.449 1.00 53.52 H new ATOM 0 HB2 SER A 73 2.441 -80.742 -10.897 1.00 23.04 H new ATOM 0 HB3 SER A 73 2.904 -81.839 -12.183 1.00 23.04 H new ATOM 0 HG SER A 73 4.882 -81.187 -10.277 1.00 33.31 H new ATOM 1092 N VAL A 74 6.370 -80.255 -12.602 1.00 2.14 N ATOM 1093 CA VAL A 74 7.553 -80.725 -13.313 1.00 23.14 C ATOM 1094 C VAL A 74 7.973 -82.080 -12.757 1.00 45.15 C ATOM 1095 O VAL A 74 8.038 -82.258 -11.542 1.00 50.12 O ATOM 1096 CB VAL A 74 8.730 -79.726 -13.172 1.00 61.55 C ATOM 1097 CG1 VAL A 74 9.906 -80.135 -14.061 1.00 25.24 C ATOM 1098 CG2 VAL A 74 8.271 -78.305 -13.486 1.00 44.21 C ATOM 0 H VAL A 74 6.573 -79.732 -11.750 1.00 2.14 H new ATOM 0 HA VAL A 74 7.303 -80.812 -14.370 1.00 23.14 H new ATOM 0 HB VAL A 74 9.073 -79.749 -12.138 1.00 61.55 H new ATOM 0 HG11 VAL A 74 10.718 -79.418 -13.943 1.00 25.24 H new ATOM 0 HG12 VAL A 74 10.253 -81.127 -13.772 1.00 25.24 H new ATOM 0 HG13 VAL A 74 9.586 -80.152 -15.103 1.00 25.24 H new ATOM 0 HG21 VAL A 74 9.112 -77.619 -13.381 1.00 44.21 H new ATOM 0 HG22 VAL A 74 7.893 -78.262 -14.507 1.00 44.21 H new ATOM 0 HG23 VAL A 74 7.480 -78.017 -12.794 1.00 44.21 H new ATOM 1108 N SER A 75 8.244 -83.034 -13.640 1.00 24.41 N ATOM 1109 CA SER A 75 8.575 -84.392 -13.224 1.00 33.53 C ATOM 1110 C SER A 75 9.701 -84.963 -14.076 1.00 25.55 C ATOM 1111 O SER A 75 9.863 -84.586 -15.239 1.00 44.43 O ATOM 1112 CB SER A 75 7.328 -85.280 -13.321 1.00 45.42 C ATOM 1113 OG SER A 75 6.760 -85.222 -14.621 1.00 50.11 O ATOM 0 H SER A 75 8.241 -82.892 -14.650 1.00 24.41 H new ATOM 0 HA SER A 75 8.918 -84.366 -12.190 1.00 33.53 H new ATOM 0 HB2 SER A 75 7.592 -86.310 -13.081 1.00 45.42 H new ATOM 0 HB3 SER A 75 6.591 -84.960 -12.584 1.00 45.42 H new ATOM 0 HG SER A 75 6.320 -86.074 -14.824 1.00 50.11 H new ATOM 1119 N GLY A 76 10.475 -85.865 -13.489 1.00 32.44 N ATOM 1120 CA GLY A 76 11.564 -86.501 -14.200 1.00 51.54 C ATOM 1121 C GLY A 76 12.450 -87.300 -13.270 1.00 43.42 C ATOM 1122 O GLY A 76 12.032 -87.663 -12.171 1.00 53.55 O ATOM 0 H GLY A 76 10.365 -86.170 -12.522 1.00 32.44 H new ATOM 0 HA2 GLY A 76 11.161 -87.157 -14.971 1.00 51.54 H new ATOM 0 HA3 GLY A 76 12.160 -85.742 -14.707 1.00 51.54 H new ATOM 1126 N VAL A 77 13.671 -87.583 -13.711 1.00 42.05 N ATOM 1127 CA VAL A 77 14.639 -88.330 -12.910 1.00 43.44 C ATOM 1128 C VAL A 77 16.035 -87.735 -13.089 1.00 74.14 C ATOM 1129 O VAL A 77 16.387 -87.285 -14.186 1.00 42.33 O ATOM 1130 CB VAL A 77 14.681 -89.835 -13.302 1.00 53.04 C ATOM 1131 CG1 VAL A 77 15.612 -90.613 -12.372 1.00 73.25 C ATOM 1132 CG2 VAL A 77 13.282 -90.455 -13.297 1.00 44.22 C ATOM 0 H VAL A 77 14.018 -87.304 -14.629 1.00 42.05 H new ATOM 0 HA VAL A 77 14.323 -88.254 -11.870 1.00 43.44 H new ATOM 0 HB VAL A 77 15.072 -89.898 -14.318 1.00 53.04 H new ATOM 0 HG11 VAL A 77 15.625 -91.663 -12.665 1.00 73.25 H new ATOM 0 HG12 VAL A 77 16.620 -90.204 -12.441 1.00 73.25 H new ATOM 0 HG13 VAL A 77 15.255 -90.528 -11.346 1.00 73.25 H new ATOM 0 HG21 VAL A 77 13.349 -91.507 -13.575 1.00 44.22 H new ATOM 0 HG22 VAL A 77 12.850 -90.370 -12.300 1.00 44.22 H new ATOM 0 HG23 VAL A 77 12.649 -89.930 -14.012 1.00 44.22 H new ATOM 1142 N VAL A 78 16.816 -87.730 -12.009 1.00 11.12 N ATOM 1143 CA VAL A 78 18.193 -87.239 -12.037 1.00 13.11 C ATOM 1144 C VAL A 78 19.156 -88.386 -11.731 1.00 3.40 C ATOM 1145 O VAL A 78 18.846 -89.274 -10.924 1.00 63.53 O ATOM 1146 CB VAL A 78 18.422 -86.100 -11.006 1.00 55.53 C ATOM 1147 CG1 VAL A 78 18.592 -86.660 -9.595 1.00 52.34 C ATOM 1148 CG2 VAL A 78 19.619 -85.233 -11.390 1.00 23.42 C ATOM 0 H VAL A 78 16.514 -88.065 -11.094 1.00 11.12 H new ATOM 0 HA VAL A 78 18.379 -86.840 -13.034 1.00 13.11 H new ATOM 0 HB VAL A 78 17.534 -85.468 -11.016 1.00 55.53 H new ATOM 0 HG11 VAL A 78 18.751 -85.840 -8.895 1.00 52.34 H new ATOM 0 HG12 VAL A 78 17.695 -87.211 -9.312 1.00 52.34 H new ATOM 0 HG13 VAL A 78 19.452 -87.330 -9.570 1.00 52.34 H new ATOM 0 HG21 VAL A 78 19.751 -84.446 -10.648 1.00 23.42 H new ATOM 0 HG22 VAL A 78 20.517 -85.849 -11.429 1.00 23.42 H new ATOM 0 HG23 VAL A 78 19.444 -84.784 -12.368 1.00 23.42 H new ATOM 1158 N GLN A 79 20.314 -88.370 -12.383 1.00 61.04 N ATOM 1159 CA GLN A 79 21.339 -89.393 -12.187 1.00 72.34 C ATOM 1160 C GLN A 79 22.720 -88.734 -12.204 1.00 51.25 C ATOM 1161 O GLN A 79 23.021 -87.945 -13.104 1.00 1.41 O ATOM 1162 CB GLN A 79 21.260 -90.452 -13.302 1.00 75.34 C ATOM 1163 CG GLN A 79 19.846 -90.687 -13.836 1.00 65.40 C ATOM 1164 CD GLN A 79 19.800 -91.648 -15.011 1.00 13.34 C ATOM 1165 OE1 GLN A 79 18.980 -91.499 -15.914 1.00 12.03 O ATOM 1166 NE2 GLN A 79 20.646 -92.660 -14.989 1.00 41.24 N ATOM 0 H GLN A 79 20.569 -87.651 -13.060 1.00 61.04 H new ATOM 0 HA GLN A 79 21.174 -89.882 -11.227 1.00 72.34 H new ATOM 0 HB2 GLN A 79 21.903 -90.145 -14.127 1.00 75.34 H new ATOM 0 HB3 GLN A 79 21.656 -91.394 -12.923 1.00 75.34 H new ATOM 0 HG2 GLN A 79 19.222 -91.077 -13.032 1.00 65.40 H new ATOM 0 HG3 GLN A 79 19.416 -89.732 -14.139 1.00 65.40 H new ATOM 0 HE21 GLN A 79 21.313 -92.751 -14.222 1.00 41.24 H new ATOM 0 HE22 GLN A 79 20.633 -93.352 -15.739 1.00 41.24 H new ATOM 1175 N GLY A 80 23.546 -89.040 -11.210 1.00 73.20 N ATOM 1176 CA GLY A 80 24.895 -88.497 -11.163 1.00 70.11 C ATOM 1177 C GLY A 80 25.490 -88.565 -9.770 1.00 45.11 C ATOM 1178 O GLY A 80 24.883 -89.151 -8.875 1.00 30.00 O ATOM 0 H GLY A 80 23.307 -89.656 -10.433 1.00 73.20 H new ATOM 0 HA2 GLY A 80 25.531 -89.048 -11.856 1.00 70.11 H new ATOM 0 HA3 GLY A 80 24.880 -87.460 -11.500 1.00 70.11 H new ATOM 1182 N PRO A 81 26.687 -87.987 -9.556 1.00 21.24 N ATOM 1183 CA PRO A 81 27.328 -87.960 -8.233 1.00 24.25 C ATOM 1184 C PRO A 81 26.465 -87.238 -7.191 1.00 43.11 C ATOM 1185 O PRO A 81 25.881 -86.192 -7.475 1.00 61.12 O ATOM 1186 CB PRO A 81 28.649 -87.209 -8.473 1.00 14.12 C ATOM 1187 CG PRO A 81 28.464 -86.493 -9.769 1.00 1.43 C ATOM 1188 CD PRO A 81 27.513 -87.327 -10.580 1.00 73.32 C ATOM 0 HA PRO A 81 27.477 -88.962 -7.832 1.00 24.25 H new ATOM 0 HB2 PRO A 81 28.857 -86.510 -7.663 1.00 14.12 H new ATOM 0 HB3 PRO A 81 29.491 -87.900 -8.522 1.00 14.12 H new ATOM 0 HG2 PRO A 81 28.063 -85.493 -9.607 1.00 1.43 H new ATOM 0 HG3 PRO A 81 29.416 -86.374 -10.287 1.00 1.43 H new ATOM 0 HD2 PRO A 81 26.910 -86.714 -11.250 1.00 73.32 H new ATOM 0 HD3 PRO A 81 28.041 -88.052 -11.200 1.00 73.32 H new ATOM 1196 N LYS A 82 26.419 -87.796 -5.985 1.00 34.24 N ATOM 1197 CA LYS A 82 25.543 -87.317 -4.912 1.00 65.22 C ATOM 1198 C LYS A 82 25.702 -85.817 -4.646 1.00 10.03 C ATOM 1199 O LYS A 82 24.734 -85.140 -4.300 1.00 13.55 O ATOM 1200 CB LYS A 82 25.790 -88.139 -3.629 1.00 54.13 C ATOM 1201 CG LYS A 82 27.265 -88.276 -3.235 1.00 14.43 C ATOM 1202 CD LYS A 82 27.756 -87.134 -2.346 1.00 71.14 C ATOM 1203 CE LYS A 82 27.153 -87.207 -0.948 1.00 51.01 C ATOM 1204 NZ LYS A 82 27.426 -88.516 -0.294 1.00 4.33 N ATOM 0 H LYS A 82 26.990 -88.598 -5.720 1.00 34.24 H new ATOM 0 HA LYS A 82 24.513 -87.460 -5.238 1.00 65.22 H new ATOM 0 HB2 LYS A 82 25.249 -87.674 -2.805 1.00 54.13 H new ATOM 0 HB3 LYS A 82 25.369 -89.135 -3.765 1.00 54.13 H new ATOM 0 HG2 LYS A 82 27.409 -89.222 -2.714 1.00 14.43 H new ATOM 0 HG3 LYS A 82 27.874 -88.313 -4.138 1.00 14.43 H new ATOM 0 HD2 LYS A 82 28.843 -87.170 -2.275 1.00 71.14 H new ATOM 0 HD3 LYS A 82 27.497 -86.179 -2.804 1.00 71.14 H new ATOM 0 HE2 LYS A 82 27.560 -86.403 -0.335 1.00 51.01 H new ATOM 0 HE3 LYS A 82 26.076 -87.049 -1.008 1.00 51.01 H new ATOM 0 HZ1 LYS A 82 27.296 -88.424 0.734 1.00 4.33 H new ATOM 0 HZ2 LYS A 82 26.769 -89.232 -0.663 1.00 4.33 H new ATOM 0 HZ3 LYS A 82 28.404 -88.807 -0.495 1.00 4.33 H new ATOM 1218 N GLU A 83 26.911 -85.296 -4.821 1.00 45.34 N ATOM 1219 CA GLU A 83 27.165 -83.873 -4.591 1.00 53.14 C ATOM 1220 C GLU A 83 26.495 -83.020 -5.675 1.00 41.52 C ATOM 1221 O GLU A 83 25.874 -81.990 -5.380 1.00 1.31 O ATOM 1222 CB GLU A 83 28.678 -83.601 -4.511 1.00 53.44 C ATOM 1223 CG GLU A 83 29.498 -84.311 -5.584 1.00 34.25 C ATOM 1224 CD GLU A 83 30.986 -84.012 -5.487 1.00 42.22 C ATOM 1225 OE1 GLU A 83 31.661 -84.606 -4.620 1.00 53.32 O ATOM 1226 OE2 GLU A 83 31.489 -83.189 -6.285 1.00 25.22 O ATOM 0 H GLU A 83 27.727 -85.830 -5.119 1.00 45.34 H new ATOM 0 HA GLU A 83 26.726 -83.591 -3.634 1.00 53.14 H new ATOM 0 HB2 GLU A 83 28.848 -82.527 -4.591 1.00 53.44 H new ATOM 0 HB3 GLU A 83 29.040 -83.909 -3.530 1.00 53.44 H new ATOM 0 HG2 GLU A 83 29.343 -85.387 -5.500 1.00 34.25 H new ATOM 0 HG3 GLU A 83 29.136 -84.012 -6.568 1.00 34.25 H new ATOM 1233 N GLN A 84 26.590 -83.472 -6.924 1.00 71.32 N ATOM 1234 CA GLN A 84 25.956 -82.780 -8.046 1.00 73.41 C ATOM 1235 C GLN A 84 24.438 -82.946 -7.984 1.00 4.41 C ATOM 1236 O GLN A 84 23.687 -82.019 -8.291 1.00 35.12 O ATOM 1237 CB GLN A 84 26.500 -83.300 -9.387 1.00 70.43 C ATOM 1238 CG GLN A 84 27.852 -82.711 -9.792 1.00 43.51 C ATOM 1239 CD GLN A 84 28.937 -82.906 -8.748 1.00 53.33 C ATOM 1240 OE1 GLN A 84 29.655 -83.905 -8.759 1.00 64.14 O ATOM 1241 NE2 GLN A 84 29.075 -81.951 -7.841 1.00 5.13 N ATOM 0 H GLN A 84 27.100 -84.315 -7.185 1.00 71.32 H new ATOM 0 HA GLN A 84 26.194 -81.719 -7.972 1.00 73.41 H new ATOM 0 HB2 GLN A 84 26.592 -84.385 -9.332 1.00 70.43 H new ATOM 0 HB3 GLN A 84 25.773 -83.081 -10.169 1.00 70.43 H new ATOM 0 HG2 GLN A 84 28.173 -83.169 -10.727 1.00 43.51 H new ATOM 0 HG3 GLN A 84 27.732 -81.645 -9.984 1.00 43.51 H new ATOM 0 HE21 GLN A 84 28.462 -81.136 -7.861 1.00 5.13 H new ATOM 0 HE22 GLN A 84 29.794 -82.031 -7.122 1.00 5.13 H new ATOM 1250 N VAL A 85 23.993 -84.133 -7.578 1.00 33.13 N ATOM 1251 CA VAL A 85 22.572 -84.392 -7.377 1.00 22.34 C ATOM 1252 C VAL A 85 22.038 -83.494 -6.265 1.00 73.43 C ATOM 1253 O VAL A 85 20.911 -82.999 -6.332 1.00 53.31 O ATOM 1254 CB VAL A 85 22.302 -85.880 -7.030 1.00 44.11 C ATOM 1255 CG1 VAL A 85 20.828 -86.120 -6.706 1.00 71.00 C ATOM 1256 CG2 VAL A 85 22.753 -86.786 -8.174 1.00 25.24 C ATOM 0 H VAL A 85 24.598 -84.931 -7.382 1.00 33.13 H new ATOM 0 HA VAL A 85 22.056 -84.171 -8.311 1.00 22.34 H new ATOM 0 HB VAL A 85 22.882 -86.124 -6.140 1.00 44.11 H new ATOM 0 HG11 VAL A 85 20.675 -87.172 -6.468 1.00 71.00 H new ATOM 0 HG12 VAL A 85 20.539 -85.508 -5.851 1.00 71.00 H new ATOM 0 HG13 VAL A 85 20.217 -85.850 -7.568 1.00 71.00 H new ATOM 0 HG21 VAL A 85 22.556 -87.826 -7.914 1.00 25.24 H new ATOM 0 HG22 VAL A 85 22.204 -86.529 -9.080 1.00 25.24 H new ATOM 0 HG23 VAL A 85 23.821 -86.651 -8.346 1.00 25.24 H new ATOM 1266 N ASP A 86 22.873 -83.272 -5.250 1.00 15.30 N ATOM 1267 CA ASP A 86 22.535 -82.360 -4.163 1.00 63.23 C ATOM 1268 C ASP A 86 22.421 -80.937 -4.694 1.00 64.31 C ATOM 1269 O ASP A 86 21.519 -80.194 -4.310 1.00 72.04 O ATOM 1270 CB ASP A 86 23.582 -82.428 -3.040 1.00 35.40 C ATOM 1271 CG ASP A 86 23.256 -81.493 -1.882 1.00 14.31 C ATOM 1272 OD1 ASP A 86 22.420 -81.870 -1.029 1.00 61.35 O ATOM 1273 OD2 ASP A 86 23.835 -80.385 -1.819 1.00 32.10 O ATOM 0 H ASP A 86 23.788 -83.713 -5.160 1.00 15.30 H new ATOM 0 HA ASP A 86 21.574 -82.663 -3.747 1.00 63.23 H new ATOM 0 HB2 ASP A 86 23.647 -83.451 -2.670 1.00 35.40 H new ATOM 0 HB3 ASP A 86 24.561 -82.173 -3.445 1.00 35.40 H new ATOM 1278 N ALA A 87 23.337 -80.566 -5.588 1.00 21.34 N ATOM 1279 CA ALA A 87 23.270 -79.271 -6.260 1.00 34.53 C ATOM 1280 C ALA A 87 21.934 -79.115 -6.986 1.00 20.20 C ATOM 1281 O ALA A 87 21.285 -78.069 -6.907 1.00 62.15 O ATOM 1282 CB ALA A 87 24.422 -79.132 -7.244 1.00 10.13 C ATOM 0 H ALA A 87 24.132 -81.143 -5.862 1.00 21.34 H new ATOM 0 HA ALA A 87 23.351 -78.485 -5.510 1.00 34.53 H new ATOM 0 HB1 ALA A 87 24.362 -78.163 -7.739 1.00 10.13 H new ATOM 0 HB2 ALA A 87 25.369 -79.208 -6.709 1.00 10.13 H new ATOM 0 HB3 ALA A 87 24.361 -79.925 -7.989 1.00 10.13 H new ATOM 1288 N PHE A 88 21.530 -80.179 -7.672 1.00 23.24 N ATOM 1289 CA PHE A 88 20.308 -80.178 -8.464 1.00 53.22 C ATOM 1290 C PHE A 88 19.065 -80.054 -7.570 1.00 41.43 C ATOM 1291 O PHE A 88 18.179 -79.244 -7.840 1.00 24.23 O ATOM 1292 CB PHE A 88 20.238 -81.457 -9.313 1.00 13.44 C ATOM 1293 CG PHE A 88 19.277 -81.370 -10.475 1.00 60.45 C ATOM 1294 CD1 PHE A 88 19.691 -80.835 -11.685 1.00 2.04 C ATOM 1295 CD2 PHE A 88 17.973 -81.828 -10.361 1.00 41.43 C ATOM 1296 CE1 PHE A 88 18.824 -80.757 -12.759 1.00 65.45 C ATOM 1297 CE2 PHE A 88 17.101 -81.751 -11.433 1.00 43.45 C ATOM 1298 CZ PHE A 88 17.526 -81.215 -12.632 1.00 72.11 C ATOM 0 H PHE A 88 22.039 -81.063 -7.694 1.00 23.24 H new ATOM 0 HA PHE A 88 20.326 -79.311 -9.125 1.00 53.22 H new ATOM 0 HB2 PHE A 88 21.234 -81.683 -9.694 1.00 13.44 H new ATOM 0 HB3 PHE A 88 19.945 -82.290 -8.674 1.00 13.44 H new ATOM 0 HD1 PHE A 88 20.704 -80.475 -11.790 1.00 2.04 H new ATOM 0 HD2 PHE A 88 17.634 -82.249 -9.426 1.00 41.43 H new ATOM 0 HE1 PHE A 88 19.160 -80.339 -13.696 1.00 65.45 H new ATOM 0 HE2 PHE A 88 16.088 -82.110 -11.331 1.00 43.45 H new ATOM 0 HZ PHE A 88 16.846 -81.154 -13.469 1.00 72.11 H new ATOM 1308 N VAL A 89 19.004 -80.852 -6.502 1.00 5.13 N ATOM 1309 CA VAL A 89 17.851 -80.833 -5.596 1.00 63.22 C ATOM 1310 C VAL A 89 17.778 -79.502 -4.846 1.00 22.42 C ATOM 1311 O VAL A 89 16.693 -78.959 -4.600 1.00 63.11 O ATOM 1312 CB VAL A 89 17.883 -82.008 -4.574 1.00 62.24 C ATOM 1313 CG1 VAL A 89 19.006 -81.840 -3.554 1.00 41.30 C ATOM 1314 CG2 VAL A 89 16.528 -82.161 -3.881 1.00 71.34 C ATOM 0 H VAL A 89 19.734 -81.516 -6.243 1.00 5.13 H new ATOM 0 HA VAL A 89 16.962 -80.954 -6.215 1.00 63.22 H new ATOM 0 HB VAL A 89 18.087 -82.923 -5.131 1.00 62.24 H new ATOM 0 HG11 VAL A 89 18.995 -82.680 -2.859 1.00 41.30 H new ATOM 0 HG12 VAL A 89 19.965 -81.809 -4.071 1.00 41.30 H new ATOM 0 HG13 VAL A 89 18.861 -80.911 -3.003 1.00 41.30 H new ATOM 0 HG21 VAL A 89 16.573 -82.987 -3.172 1.00 71.34 H new ATOM 0 HG22 VAL A 89 16.285 -81.240 -3.351 1.00 71.34 H new ATOM 0 HG23 VAL A 89 15.759 -82.364 -4.626 1.00 71.34 H new ATOM 1324 N LYS A 90 18.945 -78.971 -4.510 1.00 72.24 N ATOM 1325 CA LYS A 90 19.043 -77.710 -3.796 1.00 63.21 C ATOM 1326 C LYS A 90 18.596 -76.573 -4.713 1.00 31.12 C ATOM 1327 O LYS A 90 17.978 -75.604 -4.269 1.00 14.12 O ATOM 1328 CB LYS A 90 20.482 -77.519 -3.303 1.00 12.24 C ATOM 1329 CG LYS A 90 20.653 -76.460 -2.213 1.00 73.32 C ATOM 1330 CD LYS A 90 21.775 -76.839 -1.244 1.00 40.24 C ATOM 1331 CE LYS A 90 23.102 -77.078 -1.964 1.00 1.53 C ATOM 1332 NZ LYS A 90 24.097 -77.760 -1.092 1.00 60.33 N ATOM 0 H LYS A 90 19.845 -79.401 -4.724 1.00 72.24 H new ATOM 0 HA LYS A 90 18.388 -77.711 -2.924 1.00 63.21 H new ATOM 0 HB2 LYS A 90 20.851 -78.472 -2.924 1.00 12.24 H new ATOM 0 HB3 LYS A 90 21.109 -77.250 -4.153 1.00 12.24 H new ATOM 0 HG2 LYS A 90 20.874 -75.496 -2.671 1.00 73.32 H new ATOM 0 HG3 LYS A 90 19.718 -76.345 -1.664 1.00 73.32 H new ATOM 0 HD2 LYS A 90 21.901 -76.045 -0.508 1.00 40.24 H new ATOM 0 HD3 LYS A 90 21.493 -77.739 -0.698 1.00 40.24 H new ATOM 0 HE2 LYS A 90 22.927 -77.682 -2.855 1.00 1.53 H new ATOM 0 HE3 LYS A 90 23.509 -76.124 -2.300 1.00 1.53 H new ATOM 0 HZ1 LYS A 90 25.050 -77.405 -1.310 1.00 60.33 H new ATOM 0 HZ2 LYS A 90 23.875 -77.566 -0.095 1.00 60.33 H new ATOM 0 HZ3 LYS A 90 24.062 -78.785 -1.262 1.00 60.33 H new ATOM 1346 N TYR A 91 18.898 -76.722 -6.002 1.00 10.11 N ATOM 1347 CA TYR A 91 18.375 -75.826 -7.032 1.00 12.44 C ATOM 1348 C TYR A 91 16.863 -76.009 -7.161 1.00 44.40 C ATOM 1349 O TYR A 91 16.120 -75.041 -7.321 1.00 2.03 O ATOM 1350 CB TYR A 91 19.060 -76.100 -8.382 1.00 54.24 C ATOM 1351 CG TYR A 91 18.265 -75.620 -9.590 1.00 52.31 C ATOM 1352 CD1 TYR A 91 18.241 -74.278 -9.959 1.00 71.31 C ATOM 1353 CD2 TYR A 91 17.523 -76.520 -10.351 1.00 52.30 C ATOM 1354 CE1 TYR A 91 17.500 -73.850 -11.047 1.00 23.41 C ATOM 1355 CE2 TYR A 91 16.786 -76.099 -11.440 1.00 24.51 C ATOM 1356 CZ TYR A 91 16.775 -74.764 -11.784 1.00 4.44 C ATOM 1357 OH TYR A 91 16.028 -74.342 -12.864 1.00 53.33 O ATOM 0 H TYR A 91 19.506 -77.459 -6.359 1.00 10.11 H new ATOM 0 HA TYR A 91 18.585 -74.797 -6.741 1.00 12.44 H new ATOM 0 HB2 TYR A 91 20.036 -75.616 -8.387 1.00 54.24 H new ATOM 0 HB3 TYR A 91 19.235 -77.172 -8.478 1.00 54.24 H new ATOM 0 HD1 TYR A 91 18.810 -73.559 -9.387 1.00 71.31 H new ATOM 0 HD2 TYR A 91 17.524 -77.567 -10.084 1.00 52.30 H new ATOM 0 HE1 TYR A 91 17.489 -72.805 -11.318 1.00 23.41 H new ATOM 0 HE2 TYR A 91 16.220 -76.813 -12.020 1.00 24.51 H new ATOM 0 HH TYR A 91 15.580 -75.112 -13.273 1.00 53.33 H new ATOM 1367 N LEU A 92 16.419 -77.259 -7.083 1.00 51.34 N ATOM 1368 CA LEU A 92 15.002 -77.590 -7.209 1.00 60.14 C ATOM 1369 C LEU A 92 14.199 -76.877 -6.117 1.00 5.34 C ATOM 1370 O LEU A 92 13.095 -76.392 -6.356 1.00 21.55 O ATOM 1371 CB LEU A 92 14.804 -79.118 -7.124 1.00 42.10 C ATOM 1372 CG LEU A 92 13.708 -79.705 -8.033 1.00 14.12 C ATOM 1373 CD1 LEU A 92 12.362 -79.040 -7.771 1.00 1.11 C ATOM 1374 CD2 LEU A 92 14.100 -79.579 -9.504 1.00 4.50 C ATOM 0 H LEU A 92 17.024 -78.066 -6.932 1.00 51.34 H new ATOM 0 HA LEU A 92 14.641 -77.251 -8.180 1.00 60.14 H new ATOM 0 HB2 LEU A 92 15.750 -79.602 -7.369 1.00 42.10 H new ATOM 0 HB3 LEU A 92 14.571 -79.378 -6.091 1.00 42.10 H new ATOM 0 HG LEU A 92 13.608 -80.764 -7.797 1.00 14.12 H new ATOM 0 HD11 LEU A 92 11.608 -79.474 -8.427 1.00 1.11 H new ATOM 0 HD12 LEU A 92 12.074 -79.199 -6.732 1.00 1.11 H new ATOM 0 HD13 LEU A 92 12.440 -77.971 -7.967 1.00 1.11 H new ATOM 0 HD21 LEU A 92 13.312 -80.000 -10.128 1.00 4.50 H new ATOM 0 HD22 LEU A 92 14.239 -78.527 -9.755 1.00 4.50 H new ATOM 0 HD23 LEU A 92 15.030 -80.120 -9.680 1.00 4.50 H new ATOM 1386 N HIS A 93 14.774 -76.808 -4.917 1.00 5.42 N ATOM 1387 CA HIS A 93 14.154 -76.084 -3.805 1.00 23.34 C ATOM 1388 C HIS A 93 14.019 -74.595 -4.119 1.00 11.23 C ATOM 1389 O HIS A 93 13.176 -73.905 -3.546 1.00 14.15 O ATOM 1390 CB HIS A 93 14.952 -76.289 -2.509 1.00 35.40 C ATOM 1391 CG HIS A 93 14.583 -77.544 -1.777 1.00 30.45 C ATOM 1392 ND1 HIS A 93 14.037 -77.538 -0.512 1.00 2.31 N ATOM 1393 CD2 HIS A 93 14.670 -78.847 -2.142 1.00 73.34 C ATOM 1394 CE1 HIS A 93 13.802 -78.779 -0.131 1.00 65.23 C ATOM 1395 NE2 HIS A 93 14.178 -79.593 -1.100 1.00 2.30 N ATOM 0 H HIS A 93 15.668 -77.244 -4.689 1.00 5.42 H new ATOM 0 HA HIS A 93 13.153 -76.490 -3.663 1.00 23.34 H new ATOM 0 HB2 HIS A 93 16.016 -76.314 -2.746 1.00 35.40 H new ATOM 0 HB3 HIS A 93 14.792 -75.434 -1.853 1.00 35.40 H new ATOM 0 HD2 HIS A 93 15.054 -79.227 -3.077 1.00 73.34 H new ATOM 0 HE1 HIS A 93 13.374 -79.079 0.814 1.00 65.23 H new ATOM 0 HE2 HIS A 93 14.113 -80.611 -1.078 1.00 2.30 H new ATOM 1404 N LYS A 94 14.860 -74.107 -5.023 1.00 64.43 N ATOM 1405 CA LYS A 94 14.777 -72.726 -5.491 1.00 13.01 C ATOM 1406 C LYS A 94 13.763 -72.631 -6.629 1.00 4.10 C ATOM 1407 O LYS A 94 13.054 -71.633 -6.771 1.00 53.20 O ATOM 1408 CB LYS A 94 16.150 -72.249 -5.984 1.00 13.44 C ATOM 1409 CG LYS A 94 17.276 -72.430 -4.970 1.00 34.11 C ATOM 1410 CD LYS A 94 18.646 -72.204 -5.605 1.00 31.12 C ATOM 1411 CE LYS A 94 18.843 -70.761 -6.063 1.00 75.41 C ATOM 1412 NZ LYS A 94 18.973 -69.824 -4.915 1.00 1.31 N ATOM 0 H LYS A 94 15.611 -74.649 -5.449 1.00 64.43 H new ATOM 0 HA LYS A 94 14.458 -72.091 -4.664 1.00 13.01 H new ATOM 0 HB2 LYS A 94 16.405 -72.791 -6.894 1.00 13.44 H new ATOM 0 HB3 LYS A 94 16.082 -71.194 -6.250 1.00 13.44 H new ATOM 0 HG2 LYS A 94 17.138 -71.733 -4.144 1.00 34.11 H new ATOM 0 HG3 LYS A 94 17.230 -73.435 -4.550 1.00 34.11 H new ATOM 0 HD2 LYS A 94 19.424 -72.464 -4.887 1.00 31.12 H new ATOM 0 HD3 LYS A 94 18.763 -72.872 -6.458 1.00 31.12 H new ATOM 0 HE2 LYS A 94 19.735 -70.697 -6.686 1.00 75.41 H new ATOM 0 HE3 LYS A 94 17.999 -70.459 -6.683 1.00 75.41 H new ATOM 0 HZ1 LYS A 94 19.189 -68.870 -5.268 1.00 1.31 H new ATOM 0 HZ2 LYS A 94 18.080 -69.802 -4.382 1.00 1.31 H new ATOM 0 HZ3 LYS A 94 19.741 -70.144 -4.291 1.00 1.31 H new ATOM 1426 N GLY A 95 13.701 -73.695 -7.425 1.00 31.54 N ATOM 1427 CA GLY A 95 12.828 -73.739 -8.579 1.00 21.24 C ATOM 1428 C GLY A 95 13.277 -72.780 -9.663 1.00 10.52 C ATOM 1429 O GLY A 95 14.118 -73.119 -10.497 1.00 3.03 O ATOM 0 H GLY A 95 14.253 -74.541 -7.284 1.00 31.54 H new ATOM 0 HA2 GLY A 95 12.804 -74.753 -8.978 1.00 21.24 H new ATOM 0 HA3 GLY A 95 11.811 -73.493 -8.275 1.00 21.24 H new ATOM 1433 N SER A 96 12.720 -71.575 -9.636 1.00 75.45 N ATOM 1434 CA SER A 96 13.058 -70.518 -10.582 1.00 64.44 C ATOM 1435 C SER A 96 12.632 -69.168 -10.001 1.00 73.22 C ATOM 1436 O SER A 96 11.510 -69.028 -9.516 1.00 41.20 O ATOM 1437 CB SER A 96 12.370 -70.754 -11.938 1.00 73.31 C ATOM 1438 OG SER A 96 12.816 -71.951 -12.557 1.00 75.44 O ATOM 0 H SER A 96 12.015 -71.302 -8.951 1.00 75.45 H new ATOM 0 HA SER A 96 14.135 -70.523 -10.748 1.00 64.44 H new ATOM 0 HB2 SER A 96 11.291 -70.800 -11.794 1.00 73.31 H new ATOM 0 HB3 SER A 96 12.568 -69.909 -12.597 1.00 73.31 H new ATOM 0 HG SER A 96 13.436 -72.418 -11.958 1.00 75.44 H new ATOM 1444 N PRO A 97 13.506 -68.144 -10.062 1.00 15.32 N ATOM 1445 CA PRO A 97 13.224 -66.818 -9.476 1.00 63.34 C ATOM 1446 C PRO A 97 12.109 -66.059 -10.211 1.00 3.15 C ATOM 1447 O PRO A 97 11.883 -64.872 -9.961 1.00 13.01 O ATOM 1448 CB PRO A 97 14.566 -66.080 -9.610 1.00 53.52 C ATOM 1449 CG PRO A 97 15.246 -66.743 -10.759 1.00 13.42 C ATOM 1450 CD PRO A 97 14.838 -68.191 -10.699 1.00 51.42 C ATOM 0 HA PRO A 97 12.864 -66.899 -8.450 1.00 63.34 H new ATOM 0 HB2 PRO A 97 14.417 -65.017 -9.797 1.00 53.52 H new ATOM 0 HB3 PRO A 97 15.157 -66.163 -8.698 1.00 53.52 H new ATOM 0 HG2 PRO A 97 14.946 -66.291 -11.704 1.00 13.42 H new ATOM 0 HG3 PRO A 97 16.329 -66.639 -10.686 1.00 13.42 H new ATOM 0 HD2 PRO A 97 14.793 -68.637 -11.692 1.00 51.42 H new ATOM 0 HD3 PRO A 97 15.542 -68.783 -10.115 1.00 51.42 H new ATOM 1458 N LYS A 98 11.427 -66.745 -11.125 1.00 53.54 N ATOM 1459 CA LYS A 98 10.317 -66.167 -11.879 1.00 24.34 C ATOM 1460 C LYS A 98 8.981 -66.746 -11.411 1.00 74.31 C ATOM 1461 O LYS A 98 7.920 -66.364 -11.913 1.00 21.32 O ATOM 1462 CB LYS A 98 10.514 -66.424 -13.380 1.00 51.22 C ATOM 1463 CG LYS A 98 11.634 -65.596 -14.010 1.00 43.41 C ATOM 1464 CD LYS A 98 11.278 -64.109 -14.065 1.00 31.02 C ATOM 1465 CE LYS A 98 10.039 -63.856 -14.921 1.00 2.21 C ATOM 1466 NZ LYS A 98 9.636 -62.424 -14.926 1.00 75.23 N ATOM 0 H LYS A 98 11.628 -67.716 -11.364 1.00 53.54 H new ATOM 0 HA LYS A 98 10.300 -65.092 -11.701 1.00 24.34 H new ATOM 0 HB2 LYS A 98 10.728 -67.482 -13.532 1.00 51.22 H new ATOM 0 HB3 LYS A 98 9.581 -66.210 -13.901 1.00 51.22 H new ATOM 0 HG2 LYS A 98 12.551 -65.729 -13.437 1.00 43.41 H new ATOM 0 HG3 LYS A 98 11.832 -65.960 -15.018 1.00 43.41 H new ATOM 0 HD2 LYS A 98 11.104 -63.739 -13.055 1.00 31.02 H new ATOM 0 HD3 LYS A 98 12.120 -63.548 -14.469 1.00 31.02 H new ATOM 0 HE2 LYS A 98 10.235 -64.179 -15.943 1.00 2.21 H new ATOM 0 HE3 LYS A 98 9.213 -64.462 -14.548 1.00 2.21 H new ATOM 0 HZ1 LYS A 98 8.791 -62.303 -15.520 1.00 75.23 H new ATOM 0 HZ2 LYS A 98 9.422 -62.120 -13.955 1.00 75.23 H new ATOM 0 HZ3 LYS A 98 10.412 -61.846 -15.307 1.00 75.23 H new ATOM 1480 N SER A 99 9.037 -67.658 -10.442 1.00 22.33 N ATOM 1481 CA SER A 99 7.839 -68.300 -9.913 1.00 33.13 C ATOM 1482 C SER A 99 8.104 -68.824 -8.498 1.00 51.15 C ATOM 1483 O SER A 99 9.181 -68.600 -7.933 1.00 65.20 O ATOM 1484 CB SER A 99 7.392 -69.441 -10.844 1.00 24.15 C ATOM 1485 OG SER A 99 6.161 -70.008 -10.419 1.00 42.35 O ATOM 0 H SER A 99 9.905 -67.969 -10.006 1.00 22.33 H new ATOM 0 HA SER A 99 7.035 -67.565 -9.863 1.00 33.13 H new ATOM 0 HB2 SER A 99 7.288 -69.062 -11.861 1.00 24.15 H new ATOM 0 HB3 SER A 99 8.160 -70.214 -10.869 1.00 24.15 H new ATOM 0 HG SER A 99 5.904 -70.728 -11.032 1.00 42.35 H new ATOM 1491 N VAL A 100 7.114 -69.508 -7.927 1.00 74.22 N ATOM 1492 CA VAL A 100 7.218 -70.060 -6.579 1.00 45.42 C ATOM 1493 C VAL A 100 6.747 -71.516 -6.568 1.00 51.00 C ATOM 1494 O VAL A 100 5.712 -71.848 -7.150 1.00 74.34 O ATOM 1495 CB VAL A 100 6.381 -69.241 -5.556 1.00 21.34 C ATOM 1496 CG1 VAL A 100 6.518 -69.823 -4.149 1.00 13.01 C ATOM 1497 CG2 VAL A 100 6.788 -67.766 -5.569 1.00 20.43 C ATOM 0 H VAL A 100 6.221 -69.694 -8.384 1.00 74.22 H new ATOM 0 HA VAL A 100 8.266 -70.007 -6.284 1.00 45.42 H new ATOM 0 HB VAL A 100 5.334 -69.307 -5.853 1.00 21.34 H new ATOM 0 HG11 VAL A 100 5.923 -69.233 -3.452 1.00 13.01 H new ATOM 0 HG12 VAL A 100 6.164 -70.854 -4.146 1.00 13.01 H new ATOM 0 HG13 VAL A 100 7.564 -69.798 -3.845 1.00 13.01 H new ATOM 0 HG21 VAL A 100 6.187 -67.216 -4.845 1.00 20.43 H new ATOM 0 HG22 VAL A 100 7.842 -67.677 -5.308 1.00 20.43 H new ATOM 0 HG23 VAL A 100 6.625 -67.352 -6.564 1.00 20.43 H new ATOM 1507 N VAL A 101 7.512 -72.380 -5.908 1.00 73.33 N ATOM 1508 CA VAL A 101 7.182 -73.800 -5.828 1.00 33.12 C ATOM 1509 C VAL A 101 6.093 -74.052 -4.783 1.00 14.21 C ATOM 1510 O VAL A 101 6.013 -73.354 -3.769 1.00 71.23 O ATOM 1511 CB VAL A 101 8.432 -74.659 -5.498 1.00 1.53 C ATOM 1512 CG1 VAL A 101 9.486 -74.524 -6.597 1.00 0.11 C ATOM 1513 CG2 VAL A 101 9.016 -74.284 -4.136 1.00 23.20 C ATOM 0 H VAL A 101 8.369 -72.121 -5.419 1.00 73.33 H new ATOM 0 HA VAL A 101 6.809 -74.097 -6.808 1.00 33.12 H new ATOM 0 HB VAL A 101 8.119 -75.702 -5.450 1.00 1.53 H new ATOM 0 HG11 VAL A 101 10.354 -75.134 -6.346 1.00 0.11 H new ATOM 0 HG12 VAL A 101 9.068 -74.861 -7.546 1.00 0.11 H new ATOM 0 HG13 VAL A 101 9.789 -73.481 -6.684 1.00 0.11 H new ATOM 0 HG21 VAL A 101 9.890 -74.902 -3.932 1.00 23.20 H new ATOM 0 HG22 VAL A 101 9.308 -73.234 -4.142 1.00 23.20 H new ATOM 0 HG23 VAL A 101 8.267 -74.448 -3.361 1.00 23.20 H new ATOM 1523 N LYS A 102 5.242 -75.034 -5.057 1.00 25.24 N ATOM 1524 CA LYS A 102 4.194 -75.454 -4.133 1.00 22.23 C ATOM 1525 C LYS A 102 4.750 -76.513 -3.178 1.00 52.51 C ATOM 1526 O LYS A 102 4.728 -76.337 -1.956 1.00 64.20 O ATOM 1527 CB LYS A 102 2.996 -76.010 -4.923 1.00 14.41 C ATOM 1528 CG LYS A 102 1.878 -76.591 -4.059 1.00 2.24 C ATOM 1529 CD LYS A 102 0.855 -77.365 -4.898 1.00 35.55 C ATOM 1530 CE LYS A 102 0.011 -76.455 -5.785 1.00 34.44 C ATOM 1531 NZ LYS A 102 -0.988 -75.688 -4.996 1.00 11.03 N ATOM 0 H LYS A 102 5.259 -75.563 -5.929 1.00 25.24 H new ATOM 0 HA LYS A 102 3.855 -74.599 -3.549 1.00 22.23 H new ATOM 0 HB2 LYS A 102 2.583 -75.212 -5.540 1.00 14.41 H new ATOM 0 HB3 LYS A 102 3.353 -76.785 -5.601 1.00 14.41 H new ATOM 0 HG2 LYS A 102 2.307 -77.253 -3.307 1.00 2.24 H new ATOM 0 HG3 LYS A 102 1.375 -75.785 -3.525 1.00 2.24 H new ATOM 0 HD2 LYS A 102 1.377 -78.091 -5.522 1.00 35.55 H new ATOM 0 HD3 LYS A 102 0.199 -77.929 -4.234 1.00 35.55 H new ATOM 0 HE2 LYS A 102 0.662 -75.763 -6.319 1.00 34.44 H new ATOM 0 HE3 LYS A 102 -0.502 -77.054 -6.537 1.00 34.44 H new ATOM 0 HZ1 LYS A 102 -1.565 -75.107 -5.637 1.00 11.03 H new ATOM 0 HZ2 LYS A 102 -1.603 -76.348 -4.479 1.00 11.03 H new ATOM 0 HZ3 LYS A 102 -0.496 -75.071 -4.318 1.00 11.03 H new ATOM 1545 N LYS A 103 5.259 -77.605 -3.751 1.00 12.03 N ATOM 1546 CA LYS A 103 5.892 -78.677 -2.978 1.00 72.44 C ATOM 1547 C LYS A 103 6.833 -79.497 -3.861 1.00 14.24 C ATOM 1548 O LYS A 103 6.484 -79.858 -4.989 1.00 53.50 O ATOM 1549 CB LYS A 103 4.829 -79.598 -2.347 1.00 61.22 C ATOM 1550 CG LYS A 103 5.399 -80.897 -1.766 1.00 3.35 C ATOM 1551 CD LYS A 103 4.332 -81.741 -1.066 1.00 22.31 C ATOM 1552 CE LYS A 103 3.886 -81.118 0.253 1.00 15.43 C ATOM 1553 NZ LYS A 103 4.992 -81.067 1.248 1.00 35.52 N ATOM 0 H LYS A 103 5.245 -77.772 -4.757 1.00 12.03 H new ATOM 0 HA LYS A 103 6.473 -78.215 -2.180 1.00 72.44 H new ATOM 0 HB2 LYS A 103 4.314 -79.053 -1.556 1.00 61.22 H new ATOM 0 HB3 LYS A 103 4.083 -79.846 -3.102 1.00 61.22 H new ATOM 0 HG2 LYS A 103 5.853 -81.481 -2.566 1.00 3.35 H new ATOM 0 HG3 LYS A 103 6.192 -80.658 -1.057 1.00 3.35 H new ATOM 0 HD2 LYS A 103 3.470 -81.854 -1.724 1.00 22.31 H new ATOM 0 HD3 LYS A 103 4.725 -82.741 -0.880 1.00 22.31 H new ATOM 0 HE2 LYS A 103 3.516 -80.109 0.071 1.00 15.43 H new ATOM 0 HE3 LYS A 103 3.056 -81.693 0.663 1.00 15.43 H new ATOM 0 HZ1 LYS A 103 4.599 -80.897 2.196 1.00 35.52 H new ATOM 0 HZ2 LYS A 103 5.505 -81.971 1.243 1.00 35.52 H new ATOM 0 HZ3 LYS A 103 5.646 -80.297 1.001 1.00 35.52 H new ATOM 1567 N VAL A 104 8.030 -79.775 -3.346 1.00 20.25 N ATOM 1568 CA VAL A 104 8.992 -80.636 -4.031 1.00 63.52 C ATOM 1569 C VAL A 104 8.907 -82.063 -3.477 1.00 23.40 C ATOM 1570 O VAL A 104 8.747 -82.260 -2.271 1.00 41.12 O ATOM 1571 CB VAL A 104 10.443 -80.099 -3.887 1.00 12.25 C ATOM 1572 CG1 VAL A 104 10.869 -80.033 -2.419 1.00 24.45 C ATOM 1573 CG2 VAL A 104 11.420 -80.946 -4.707 1.00 13.11 C ATOM 0 H VAL A 104 8.358 -79.413 -2.450 1.00 20.25 H new ATOM 0 HA VAL A 104 8.739 -80.641 -5.091 1.00 63.52 H new ATOM 0 HB VAL A 104 10.464 -79.083 -4.280 1.00 12.25 H new ATOM 0 HG11 VAL A 104 11.889 -79.653 -2.353 1.00 24.45 H new ATOM 0 HG12 VAL A 104 10.198 -79.368 -1.875 1.00 24.45 H new ATOM 0 HG13 VAL A 104 10.824 -81.031 -1.982 1.00 24.45 H new ATOM 0 HG21 VAL A 104 12.429 -80.552 -4.591 1.00 13.11 H new ATOM 0 HG22 VAL A 104 11.391 -81.977 -4.356 1.00 13.11 H new ATOM 0 HG23 VAL A 104 11.136 -80.913 -5.759 1.00 13.11 H new ATOM 1583 N SER A 105 8.992 -83.047 -4.364 1.00 70.15 N ATOM 1584 CA SER A 105 8.877 -84.451 -3.984 1.00 14.10 C ATOM 1585 C SER A 105 9.922 -85.290 -4.722 1.00 74.04 C ATOM 1586 O SER A 105 10.000 -85.257 -5.952 1.00 24.02 O ATOM 1587 CB SER A 105 7.462 -84.950 -4.302 1.00 4.52 C ATOM 1588 OG SER A 105 6.491 -84.181 -3.608 1.00 72.03 O ATOM 0 H SER A 105 9.142 -82.896 -5.362 1.00 70.15 H new ATOM 0 HA SER A 105 9.058 -84.551 -2.914 1.00 14.10 H new ATOM 0 HB2 SER A 105 7.282 -84.889 -5.375 1.00 4.52 H new ATOM 0 HB3 SER A 105 7.370 -85.999 -4.022 1.00 4.52 H new ATOM 0 HG SER A 105 5.595 -84.513 -3.825 1.00 72.03 H new ATOM 1594 N ILE A 106 10.735 -86.029 -3.964 1.00 60.24 N ATOM 1595 CA ILE A 106 11.802 -86.848 -4.541 1.00 10.30 C ATOM 1596 C ILE A 106 11.565 -88.328 -4.228 1.00 61.14 C ATOM 1597 O ILE A 106 11.050 -88.664 -3.159 1.00 52.41 O ATOM 1598 CB ILE A 106 13.193 -86.431 -3.993 1.00 72.12 C ATOM 1599 CG1 ILE A 106 13.340 -84.897 -3.973 1.00 61.14 C ATOM 1600 CG2 ILE A 106 14.305 -87.062 -4.827 1.00 61.45 C ATOM 1601 CD1 ILE A 106 13.258 -84.246 -5.341 1.00 61.02 C ATOM 0 H ILE A 106 10.674 -86.077 -2.947 1.00 60.24 H new ATOM 0 HA ILE A 106 11.788 -86.691 -5.620 1.00 10.30 H new ATOM 0 HB ILE A 106 13.277 -86.793 -2.968 1.00 72.12 H new ATOM 0 HG12 ILE A 106 12.562 -84.477 -3.336 1.00 61.14 H new ATOM 0 HG13 ILE A 106 14.297 -84.641 -3.518 1.00 61.14 H new ATOM 0 HG21 ILE A 106 15.274 -86.760 -4.430 1.00 61.45 H new ATOM 0 HG22 ILE A 106 14.219 -88.148 -4.786 1.00 61.45 H new ATOM 0 HG23 ILE A 106 14.217 -86.730 -5.861 1.00 61.45 H new ATOM 0 HD11 ILE A 106 13.371 -83.167 -5.238 1.00 61.02 H new ATOM 0 HD12 ILE A 106 14.053 -84.635 -5.977 1.00 61.02 H new ATOM 0 HD13 ILE A 106 12.291 -84.468 -5.792 1.00 61.02 H new ATOM 1613 N HIS A 107 11.934 -89.212 -5.157 1.00 62.33 N ATOM 1614 CA HIS A 107 11.754 -90.657 -4.971 1.00 42.21 C ATOM 1615 C HIS A 107 13.089 -91.393 -5.083 1.00 3.14 C ATOM 1616 O HIS A 107 13.985 -90.973 -5.822 1.00 44.31 O ATOM 1617 CB HIS A 107 10.765 -91.251 -5.986 1.00 1.15 C ATOM 1618 CG HIS A 107 9.365 -90.709 -5.916 1.00 52.33 C ATOM 1619 ND1 HIS A 107 8.408 -91.004 -6.864 1.00 63.51 N ATOM 1620 CD2 HIS A 107 8.753 -89.904 -5.010 1.00 51.43 C ATOM 1621 CE1 HIS A 107 7.274 -90.406 -6.548 1.00 61.40 C ATOM 1622 NE2 HIS A 107 7.457 -89.732 -5.429 1.00 21.31 N ATOM 0 H HIS A 107 12.360 -88.954 -6.047 1.00 62.33 H new ATOM 0 HA HIS A 107 11.344 -90.792 -3.970 1.00 42.21 H new ATOM 0 HB2 HIS A 107 11.153 -91.078 -6.990 1.00 1.15 H new ATOM 0 HB3 HIS A 107 10.726 -92.331 -5.841 1.00 1.15 H new ATOM 0 HD2 HIS A 107 9.202 -89.478 -4.125 1.00 51.43 H new ATOM 0 HE1 HIS A 107 6.353 -90.460 -7.110 1.00 61.40 H new ATOM 0 HE2 HIS A 107 6.750 -89.173 -4.952 1.00 21.31 H new ATOM 1631 N ALA A 108 13.154 -92.530 -4.397 1.00 62.21 N ATOM 1632 CA ALA A 108 14.381 -93.304 -4.173 1.00 71.54 C ATOM 1633 C ALA A 108 14.794 -94.170 -5.371 1.00 51.20 C ATOM 1634 O ALA A 108 15.738 -94.956 -5.263 1.00 13.21 O ATOM 1635 CB ALA A 108 14.224 -94.168 -2.925 1.00 1.01 C ATOM 0 H ALA A 108 12.333 -92.955 -3.967 1.00 62.21 H new ATOM 0 HA ALA A 108 15.184 -92.580 -4.035 1.00 71.54 H new ATOM 0 HB1 ALA A 108 15.137 -94.741 -2.762 1.00 1.01 H new ATOM 0 HB2 ALA A 108 14.037 -93.529 -2.062 1.00 1.01 H new ATOM 0 HB3 ALA A 108 13.386 -94.851 -3.059 1.00 1.01 H new ATOM 1641 N SER A 109 14.094 -94.044 -6.496 1.00 22.12 N ATOM 1642 CA SER A 109 14.216 -95.002 -7.596 1.00 13.31 C ATOM 1643 C SER A 109 15.652 -95.078 -8.123 1.00 70.35 C ATOM 1644 O SER A 109 16.290 -94.057 -8.384 1.00 20.01 O ATOM 1645 CB SER A 109 13.281 -94.583 -8.732 1.00 75.32 C ATOM 1646 OG SER A 109 11.921 -94.587 -8.313 1.00 74.32 O ATOM 0 H SER A 109 13.434 -93.286 -6.672 1.00 22.12 H new ATOM 0 HA SER A 109 13.943 -95.988 -7.220 1.00 13.31 H new ATOM 0 HB2 SER A 109 13.553 -93.587 -9.080 1.00 75.32 H new ATOM 0 HB3 SER A 109 13.405 -95.261 -9.576 1.00 75.32 H new ATOM 0 HG SER A 109 11.476 -93.777 -8.639 1.00 74.32 H new ATOM 1652 N SER A 110 16.139 -96.313 -8.266 1.00 53.15 N ATOM 1653 CA SER A 110 17.516 -96.586 -8.667 1.00 44.34 C ATOM 1654 C SER A 110 17.764 -96.243 -10.140 1.00 21.33 C ATOM 1655 O SER A 110 16.845 -95.827 -10.854 1.00 40.12 O ATOM 1656 CB SER A 110 17.849 -98.056 -8.374 1.00 20.12 C ATOM 1657 OG SER A 110 16.787 -98.912 -8.766 1.00 61.20 O ATOM 0 H SER A 110 15.584 -97.154 -8.105 1.00 53.15 H new ATOM 0 HA SER A 110 18.178 -95.945 -8.085 1.00 44.34 H new ATOM 0 HB2 SER A 110 18.760 -98.337 -8.902 1.00 20.12 H new ATOM 0 HB3 SER A 110 18.046 -98.181 -7.309 1.00 20.12 H new ATOM 0 HG SER A 110 17.027 -99.842 -8.570 1.00 61.20 H new ATOM 1663 N ARG A 111 19.013 -96.436 -10.581 1.00 10.21 N ATOM 1664 CA ARG A 111 19.480 -95.953 -11.884 1.00 70.34 C ATOM 1665 C ARG A 111 18.513 -96.292 -13.020 1.00 33.55 C ATOM 1666 O ARG A 111 18.146 -97.449 -13.226 1.00 43.23 O ATOM 1667 CB ARG A 111 20.864 -96.520 -12.222 1.00 25.13 C ATOM 1668 CG ARG A 111 21.469 -95.909 -13.486 1.00 15.51 C ATOM 1669 CD ARG A 111 22.636 -96.724 -14.023 1.00 32.52 C ATOM 1670 NE ARG A 111 22.231 -98.087 -14.372 1.00 21.10 N ATOM 1671 CZ ARG A 111 21.577 -98.420 -15.490 1.00 63.31 C ATOM 1672 NH1 ARG A 111 21.225 -97.490 -16.375 1.00 42.52 N ATOM 1673 NH2 ARG A 111 21.268 -99.689 -15.715 1.00 12.12 N ATOM 0 H ARG A 111 19.726 -96.930 -10.045 1.00 10.21 H new ATOM 0 HA ARG A 111 19.537 -94.868 -11.797 1.00 70.34 H new ATOM 0 HB2 ARG A 111 21.537 -96.345 -11.383 1.00 25.13 H new ATOM 0 HB3 ARG A 111 20.787 -97.600 -12.348 1.00 25.13 H new ATOM 0 HG2 ARG A 111 20.699 -95.833 -14.254 1.00 15.51 H new ATOM 0 HG3 ARG A 111 21.806 -94.895 -13.271 1.00 15.51 H new ATOM 0 HD2 ARG A 111 23.050 -96.231 -14.903 1.00 32.52 H new ATOM 0 HD3 ARG A 111 23.429 -96.760 -13.276 1.00 32.52 H new ATOM 0 HE ARG A 111 22.464 -98.834 -13.717 1.00 21.10 H new ATOM 0 HH11 ARG A 111 21.454 -96.511 -16.204 1.00 42.52 H new ATOM 0 HH12 ARG A 111 20.726 -97.757 -17.224 1.00 42.52 H new ATOM 0 HH21 ARG A 111 21.529-100.405 -15.037 1.00 12.12 H new ATOM 0 HH22 ARG A 111 20.769 -99.949 -16.566 1.00 12.12 H new ATOM 1687 N VAL A 112 18.113 -95.255 -13.744 1.00 42.33 N ATOM 1688 CA VAL A 112 17.301 -95.388 -14.948 1.00 22.53 C ATOM 1689 C VAL A 112 18.149 -95.022 -16.163 1.00 21.24 C ATOM 1690 O VAL A 112 19.319 -94.658 -16.019 1.00 51.15 O ATOM 1691 CB VAL A 112 16.054 -94.469 -14.898 1.00 42.34 C ATOM 1692 CG1 VAL A 112 15.170 -94.804 -13.696 1.00 12.25 C ATOM 1693 CG2 VAL A 112 16.465 -92.997 -14.879 1.00 12.43 C ATOM 0 H VAL A 112 18.345 -94.289 -13.511 1.00 42.33 H new ATOM 0 HA VAL A 112 16.957 -96.420 -15.017 1.00 22.53 H new ATOM 0 HB VAL A 112 15.470 -94.647 -15.801 1.00 42.34 H new ATOM 0 HG11 VAL A 112 14.303 -94.143 -13.687 1.00 12.25 H new ATOM 0 HG12 VAL A 112 14.837 -95.839 -13.767 1.00 12.25 H new ATOM 0 HG13 VAL A 112 15.739 -94.668 -12.777 1.00 12.25 H new ATOM 0 HG21 VAL A 112 15.574 -92.371 -14.844 1.00 12.43 H new ATOM 0 HG22 VAL A 112 17.080 -92.802 -14.000 1.00 12.43 H new ATOM 0 HG23 VAL A 112 17.035 -92.767 -15.779 1.00 12.43 H new ATOM 1703 N ASP A 113 17.588 -95.159 -17.355 1.00 71.41 N ATOM 1704 CA ASP A 113 18.266 -94.708 -18.567 1.00 61.45 C ATOM 1705 C ASP A 113 17.771 -93.322 -18.964 1.00 54.52 C ATOM 1706 O ASP A 113 16.566 -93.059 -18.981 1.00 71.24 O ATOM 1707 CB ASP A 113 18.089 -95.709 -19.714 1.00 13.55 C ATOM 1708 CG ASP A 113 19.026 -96.900 -19.574 1.00 74.32 C ATOM 1709 OD1 ASP A 113 20.229 -96.751 -19.878 1.00 41.05 O ATOM 1710 OD2 ASP A 113 18.574 -97.984 -19.153 1.00 52.52 O ATOM 0 H ASP A 113 16.670 -95.576 -17.512 1.00 71.41 H new ATOM 0 HA ASP A 113 19.334 -94.646 -18.356 1.00 61.45 H new ATOM 0 HB2 ASP A 113 17.057 -96.059 -19.735 1.00 13.55 H new ATOM 0 HB3 ASP A 113 18.276 -95.209 -20.665 1.00 13.55 H new ATOM 1715 N ALA A 114 18.720 -92.444 -19.274 1.00 61.52 N ATOM 1716 CA ALA A 114 18.436 -91.034 -19.529 1.00 14.04 C ATOM 1717 C ALA A 114 17.665 -90.823 -20.836 1.00 42.21 C ATOM 1718 O ALA A 114 17.946 -91.466 -21.851 1.00 32.43 O ATOM 1719 CB ALA A 114 19.740 -90.239 -19.553 1.00 51.25 C ATOM 0 H ALA A 114 19.707 -92.689 -19.356 1.00 61.52 H new ATOM 0 HA ALA A 114 17.800 -90.676 -18.719 1.00 14.04 H new ATOM 0 HB1 ALA A 114 19.522 -89.188 -19.744 1.00 51.25 H new ATOM 0 HB2 ALA A 114 20.243 -90.337 -18.591 1.00 51.25 H new ATOM 0 HB3 ALA A 114 20.387 -90.624 -20.341 1.00 51.25 H new ATOM 1725 N ASP A 115 16.702 -89.904 -20.797 1.00 54.31 N ATOM 1726 CA ASP A 115 15.917 -89.527 -21.979 1.00 31.20 C ATOM 1727 C ASP A 115 16.305 -88.114 -22.404 1.00 74.33 C ATOM 1728 O ASP A 115 16.603 -87.861 -23.573 1.00 33.11 O ATOM 1729 CB ASP A 115 14.409 -89.602 -21.677 1.00 63.02 C ATOM 1730 CG ASP A 115 13.530 -89.274 -22.884 1.00 34.15 C ATOM 1731 OD1 ASP A 115 13.262 -88.082 -23.138 1.00 60.54 O ATOM 1732 OD2 ASP A 115 13.086 -90.219 -23.575 1.00 71.54 O ATOM 0 H ASP A 115 16.442 -89.399 -19.950 1.00 54.31 H new ATOM 0 HA ASP A 115 16.131 -90.223 -22.790 1.00 31.20 H new ATOM 0 HB2 ASP A 115 14.167 -90.604 -21.322 1.00 63.02 H new ATOM 0 HB3 ASP A 115 14.174 -88.911 -20.867 1.00 63.02 H new ATOM 1737 N GLY A 116 16.325 -87.206 -21.429 1.00 25.12 N ATOM 1738 CA GLY A 116 16.710 -85.829 -21.681 1.00 51.02 C ATOM 1739 C GLY A 116 15.977 -84.848 -20.784 1.00 52.42 C ATOM 1740 O GLY A 116 14.789 -85.018 -20.491 1.00 24.24 O ATOM 0 H GLY A 116 16.078 -87.405 -20.459 1.00 25.12 H new ATOM 0 HA2 GLY A 116 17.784 -85.722 -21.530 1.00 51.02 H new ATOM 0 HA3 GLY A 116 16.509 -85.584 -22.724 1.00 51.02 H new ATOM 1744 N PHE A 117 16.687 -83.836 -20.305 1.00 5.24 N ATOM 1745 CA PHE A 117 16.049 -82.746 -19.582 1.00 2.31 C ATOM 1746 C PHE A 117 15.480 -81.759 -20.592 1.00 32.41 C ATOM 1747 O PHE A 117 16.242 -81.091 -21.300 1.00 0.02 O ATOM 1748 CB PHE A 117 17.053 -82.014 -18.674 1.00 64.33 C ATOM 1749 CG PHE A 117 17.680 -82.867 -17.597 1.00 64.31 C ATOM 1750 CD1 PHE A 117 16.912 -83.745 -16.848 1.00 54.12 C ATOM 1751 CD2 PHE A 117 19.035 -82.768 -17.316 1.00 52.42 C ATOM 1752 CE1 PHE A 117 17.481 -84.509 -15.847 1.00 3.23 C ATOM 1753 CE2 PHE A 117 19.608 -83.532 -16.319 1.00 24.34 C ATOM 1754 CZ PHE A 117 18.830 -84.400 -15.582 1.00 43.44 C ATOM 0 H PHE A 117 17.698 -83.747 -20.403 1.00 5.24 H new ATOM 0 HA PHE A 117 15.259 -83.159 -18.954 1.00 2.31 H new ATOM 0 HB2 PHE A 117 17.846 -81.599 -19.296 1.00 64.33 H new ATOM 0 HB3 PHE A 117 16.546 -81.173 -18.201 1.00 64.33 H new ATOM 0 HD1 PHE A 117 15.855 -83.833 -17.050 1.00 54.12 H new ATOM 0 HD2 PHE A 117 19.649 -82.085 -17.884 1.00 52.42 H new ATOM 0 HE1 PHE A 117 16.870 -85.190 -15.273 1.00 3.23 H new ATOM 0 HE2 PHE A 117 20.666 -83.450 -16.116 1.00 24.34 H new ATOM 0 HZ PHE A 117 19.277 -84.994 -14.798 1.00 43.44 H new ATOM 1764 N GLU A 118 14.158 -81.659 -20.669 1.00 33.04 N ATOM 1765 CA GLU A 118 13.533 -80.701 -21.565 1.00 23.02 C ATOM 1766 C GLU A 118 12.101 -80.421 -21.140 1.00 63.02 C ATOM 1767 O GLU A 118 11.274 -81.328 -21.057 1.00 13.12 O ATOM 1768 CB GLU A 118 13.594 -81.194 -23.020 1.00 70.42 C ATOM 1769 CG GLU A 118 12.976 -82.569 -23.251 1.00 51.04 C ATOM 1770 CD GLU A 118 13.057 -83.005 -24.706 1.00 53.34 C ATOM 1771 OE1 GLU A 118 12.451 -82.333 -25.571 1.00 71.34 O ATOM 1772 OE2 GLU A 118 13.718 -84.022 -25.002 1.00 62.15 O ATOM 0 H GLU A 118 13.506 -82.225 -20.126 1.00 33.04 H new ATOM 0 HA GLU A 118 14.089 -79.765 -21.506 1.00 23.02 H new ATOM 0 HB2 GLU A 118 13.085 -80.470 -23.657 1.00 70.42 H new ATOM 0 HB3 GLU A 118 14.636 -81.221 -23.337 1.00 70.42 H new ATOM 0 HG2 GLU A 118 13.485 -83.303 -22.626 1.00 51.04 H new ATOM 0 HG3 GLU A 118 11.932 -82.552 -22.937 1.00 51.04 H new ATOM 1779 N ILE A 119 11.817 -79.157 -20.860 1.00 14.51 N ATOM 1780 CA ILE A 119 10.502 -78.758 -20.387 1.00 51.30 C ATOM 1781 C ILE A 119 9.455 -79.045 -21.461 1.00 62.21 C ATOM 1782 O ILE A 119 9.167 -78.207 -22.319 1.00 44.42 O ATOM 1783 CB ILE A 119 10.468 -77.262 -19.976 1.00 2.53 C ATOM 1784 CG1 ILE A 119 11.683 -76.929 -19.089 1.00 24.02 C ATOM 1785 CG2 ILE A 119 9.162 -76.934 -19.248 1.00 53.12 C ATOM 1786 CD1 ILE A 119 11.820 -77.821 -17.870 1.00 71.13 C ATOM 0 H ILE A 119 12.482 -78.390 -20.953 1.00 14.51 H new ATOM 0 HA ILE A 119 10.272 -79.343 -19.496 1.00 51.30 H new ATOM 0 HB ILE A 119 10.517 -76.651 -20.877 1.00 2.53 H new ATOM 0 HG12 ILE A 119 12.590 -77.008 -19.688 1.00 24.02 H new ATOM 0 HG13 ILE A 119 11.607 -75.892 -18.761 1.00 24.02 H new ATOM 0 HG21 ILE A 119 9.156 -75.881 -18.968 1.00 53.12 H new ATOM 0 HG22 ILE A 119 8.317 -77.139 -19.906 1.00 53.12 H new ATOM 0 HG23 ILE A 119 9.081 -77.549 -18.351 1.00 53.12 H new ATOM 0 HD11 ILE A 119 12.699 -77.523 -17.298 1.00 71.13 H new ATOM 0 HD12 ILE A 119 10.931 -77.724 -17.247 1.00 71.13 H new ATOM 0 HD13 ILE A 119 11.929 -78.858 -18.188 1.00 71.13 H new ATOM 1798 N ARG A 120 8.943 -80.270 -21.432 1.00 2.03 N ATOM 1799 CA ARG A 120 7.952 -80.732 -22.390 1.00 61.44 C ATOM 1800 C ARG A 120 6.645 -79.975 -22.244 1.00 32.31 C ATOM 1801 O ARG A 120 6.116 -79.819 -21.140 1.00 1.25 O ATOM 1802 CB ARG A 120 7.745 -82.240 -22.227 1.00 4.12 C ATOM 1803 CG ARG A 120 8.826 -83.054 -22.908 1.00 2.23 C ATOM 1804 CD ARG A 120 8.520 -84.556 -22.911 1.00 30.01 C ATOM 1805 NE ARG A 120 9.730 -85.371 -23.078 1.00 3.51 N ATOM 1806 CZ ARG A 120 10.674 -85.152 -23.997 1.00 12.41 C ATOM 1807 NH1 ARG A 120 10.475 -84.274 -24.979 1.00 3.32 N ATOM 1808 NH2 ARG A 120 11.797 -85.853 -23.970 1.00 2.32 N ATOM 0 H ARG A 120 9.206 -80.971 -20.740 1.00 2.03 H new ATOM 0 HA ARG A 120 8.320 -80.535 -23.397 1.00 61.44 H new ATOM 0 HB2 ARG A 120 7.724 -82.487 -21.166 1.00 4.12 H new ATOM 0 HB3 ARG A 120 6.774 -82.516 -22.638 1.00 4.12 H new ATOM 0 HG2 ARG A 120 8.943 -82.709 -23.935 1.00 2.23 H new ATOM 0 HG3 ARG A 120 9.777 -82.882 -22.404 1.00 2.23 H new ATOM 0 HD2 ARG A 120 8.029 -84.826 -21.976 1.00 30.01 H new ATOM 0 HD3 ARG A 120 7.820 -84.780 -23.716 1.00 30.01 H new ATOM 0 HE ARG A 120 9.859 -86.162 -22.446 1.00 3.51 H new ATOM 0 HH11 ARG A 120 9.595 -83.761 -25.034 1.00 3.32 H new ATOM 0 HH12 ARG A 120 11.203 -84.114 -25.676 1.00 3.32 H new ATOM 0 HH21 ARG A 120 11.940 -86.559 -23.248 1.00 2.32 H new ATOM 0 HH22 ARG A 120 12.519 -85.687 -24.671 1.00 2.32 H new ATOM 1822 N ARG A 121 6.143 -79.505 -23.375 1.00 14.01 N ATOM 1823 CA ARG A 121 4.946 -78.668 -23.423 1.00 75.33 C ATOM 1824 C ARG A 121 4.120 -79.023 -24.659 1.00 64.21 C ATOM 1825 O ARG A 121 3.179 -79.831 -24.536 1.00 51.44 O ATOM 1826 CB ARG A 121 5.327 -77.172 -23.447 1.00 72.42 C ATOM 1827 CG ARG A 121 6.136 -76.713 -22.233 1.00 14.51 C ATOM 1828 CD ARG A 121 5.334 -76.809 -20.938 1.00 12.45 C ATOM 1829 NE ARG A 121 4.278 -75.796 -20.871 1.00 4.53 N ATOM 1830 CZ ARG A 121 3.000 -76.046 -20.571 1.00 42.14 C ATOM 1831 NH1 ARG A 121 2.582 -77.295 -20.381 1.00 1.44 N ATOM 1832 NH2 ARG A 121 2.143 -75.037 -20.486 1.00 65.01 N ATOM 1833 OXT ARG A 121 4.430 -78.504 -25.756 1.00 0.00 O ATOM 0 H ARG A 121 6.553 -79.692 -24.290 1.00 14.01 H new ATOM 0 HA ARG A 121 4.352 -78.853 -22.528 1.00 75.33 H new ATOM 0 HB2 ARG A 121 5.902 -76.969 -24.351 1.00 72.42 H new ATOM 0 HB3 ARG A 121 4.416 -76.577 -23.509 1.00 72.42 H new ATOM 0 HG2 ARG A 121 7.036 -77.321 -22.147 1.00 14.51 H new ATOM 0 HG3 ARG A 121 6.460 -75.683 -22.382 1.00 14.51 H new ATOM 0 HD2 ARG A 121 4.890 -77.801 -20.859 1.00 12.45 H new ATOM 0 HD3 ARG A 121 6.004 -76.691 -20.087 1.00 12.45 H new ATOM 0 HE ARG A 121 4.537 -74.829 -21.068 1.00 4.53 H new ATOM 0 HH11 ARG A 121 3.239 -78.071 -20.464 1.00 1.44 H new ATOM 0 HH12 ARG A 121 1.605 -77.476 -20.152 1.00 1.44 H new ATOM 0 HH21 ARG A 121 2.462 -74.082 -20.649 1.00 65.01 H new ATOM 0 HH22 ARG A 121 1.165 -75.216 -20.258 1.00 65.01 H new TER 1847 ARG A 121