USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 993 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 76 CYS SG : rot 70:sc= -2.64! USER MOD Set 1.2: A 102 TYR OH : rot 46:sc= 0.00361 USER MOD Set 2.1: A 72 SER OG : rot 180:sc= -0.0646 USER MOD Set 2.2: A 74 SER OG : rot 180:sc= -0.0661 USER MOD Set 3.1: A 12 ASN : amide:sc= -0.372 K(o=-0.48,f=-4.1!) USER MOD Set 3.2: A 13 SER OG : rot -55:sc= -0.109 USER MOD Single : A 1 MET CE :methyl -172:sc=-0.00442 (180deg=-0.119) USER MOD Single : A 1 MET N :NH3+ -167:sc= 0 (180deg=-0.164) USER MOD Single : A 3 HIS : no HD1:sc= -0.0749 X(o=-0.075,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.0699 X(o=-0.07,f=-5.1e-05) USER MOD Single : A 5 HIS : no HD1:sc= -0.0413 X(o=-0.041,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HE2:sc= -0.95 K(o=-0.95,f=-2.3!) USER MOD Single : A 8 HIS : no HD1:sc= -0.57 X(o=-0.57,f=-0.18) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0477 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 74:sc= 1.22 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0579) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0.0126 K(o=0.013,f=-2) USER MOD Single : A 44 SER OG : rot -83:sc=-0.00668 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 CYS SG : rot 66:sc= -0.191 USER MOD Single : A 62 THR OG1 : rot 85:sc= 1 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 69:sc= 1.1 USER MOD Single : A 79 ASN : amide:sc= 1.03 K(o=1,f=-7.3!) USER MOD Single : A 87 CYS SG : rot 180:sc= -1.24 USER MOD Single : A 90 SER OG : rot 160:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN :FLIP amide:sc= 0.587 F(o=0,f=0.59) USER MOD Single : A 103 GLN : amide:sc= -0.384 K(o=-0.38,f=-1.1) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 108 ASN : amide:sc= -1.24 K(o=-1.2,f=-10!) USER MOD Single : A 109 LYS NZ :NH3+ -142:sc= 1.11 (180deg=-0.63!) USER MOD Single : A 112 SER OG : rot -79:sc= 0.13 USER MOD Single : A 113 SER OG : rot 72:sc= 0.513 USER MOD Single : A 116 THR OG1 : rot 76:sc= 0.407 USER MOD Single : A 118 ASN : amide:sc= 0.546 K(o=0.55,f=-0.004) USER MOD Single : A 119 LYS NZ :NH3+ 174:sc=-0.00353 (180deg=-0.078) USER MOD Single : A 121 THR OG1 : rot -85:sc= 0.839 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.937 27.604 -27.393 1.00 0.00 N ATOM 2 CA MET A 1 -13.559 27.397 -27.926 1.00 52.33 C ATOM 3 C MET A 1 -13.192 25.902 -27.969 1.00 31.24 C ATOM 4 O MET A 1 -12.658 25.415 -28.971 1.00 21.20 O ATOM 5 CB MET A 1 -12.534 28.156 -27.072 1.00 64.34 C ATOM 6 CG MET A 1 -12.906 29.607 -26.801 1.00 22.34 C ATOM 7 SD MET A 1 -13.295 30.535 -28.299 1.00 53.34 S ATOM 8 CE MET A 1 -11.747 30.441 -29.203 1.00 75.25 C ATOM 0 H1 MET A 1 -15.238 28.582 -27.579 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.593 26.946 -27.860 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.943 27.429 -26.368 1.00 0.00 H new ATOM 0 HA MET A 1 -13.539 27.785 -28.944 1.00 52.33 H new ATOM 0 HB2 MET A 1 -12.415 27.638 -26.120 1.00 64.34 H new ATOM 0 HB3 MET A 1 -11.567 28.127 -27.573 1.00 64.34 H new ATOM 0 HG2 MET A 1 -13.765 29.636 -26.131 1.00 22.34 H new ATOM 0 HG3 MET A 1 -12.081 30.096 -26.283 1.00 22.34 H new ATOM 0 HE1 MET A 1 -11.797 31.088 -30.079 1.00 75.25 H new ATOM 0 HE2 MET A 1 -10.929 30.764 -28.559 1.00 75.25 H new ATOM 0 HE3 MET A 1 -11.573 29.413 -29.521 1.00 75.25 H new ATOM 20 N GLY A 2 -13.466 25.178 -26.877 1.00 41.31 N ATOM 21 CA GLY A 2 -13.217 23.737 -26.846 1.00 61.20 C ATOM 22 C GLY A 2 -12.236 23.305 -25.755 1.00 51.43 C ATOM 23 O GLY A 2 -11.032 23.546 -25.854 1.00 32.22 O ATOM 0 H GLY A 2 -13.855 25.562 -26.016 1.00 41.31 H new ATOM 0 HA2 GLY A 2 -14.163 23.217 -26.698 1.00 61.20 H new ATOM 0 HA3 GLY A 2 -12.830 23.423 -27.815 1.00 61.20 H new ATOM 27 N HIS A 3 -12.756 22.667 -24.707 1.00 32.25 N ATOM 28 CA HIS A 3 -11.918 22.119 -23.638 1.00 34.41 C ATOM 29 C HIS A 3 -11.484 20.685 -23.970 1.00 61.33 C ATOM 30 O HIS A 3 -12.180 19.723 -23.643 1.00 4.52 O ATOM 31 CB HIS A 3 -12.661 22.142 -22.295 1.00 24.40 C ATOM 32 CG HIS A 3 -12.859 23.516 -21.729 1.00 33.53 C ATOM 33 ND1 HIS A 3 -12.652 23.814 -20.400 1.00 22.22 N ATOM 34 CD2 HIS A 3 -13.262 24.674 -22.308 1.00 41.45 C ATOM 35 CE1 HIS A 3 -12.917 25.084 -20.187 1.00 61.11 C ATOM 36 NE2 HIS A 3 -13.291 25.632 -21.326 1.00 4.34 N ATOM 0 H HIS A 3 -13.756 22.516 -24.574 1.00 32.25 H new ATOM 0 HA HIS A 3 -11.030 22.745 -23.556 1.00 34.41 H new ATOM 0 HB2 HIS A 3 -13.635 21.669 -22.423 1.00 24.40 H new ATOM 0 HB3 HIS A 3 -12.107 21.540 -21.575 1.00 24.40 H new ATOM 0 HD2 HIS A 3 -13.513 24.816 -23.349 1.00 41.45 H new ATOM 0 HE1 HIS A 3 -12.841 25.593 -19.238 1.00 61.11 H new ATOM 0 HE2 HIS A 3 -13.558 26.608 -21.456 1.00 4.34 H new ATOM 45 N HIS A 4 -10.335 20.558 -24.630 1.00 31.15 N ATOM 46 CA HIS A 4 -9.810 19.250 -25.033 1.00 15.22 C ATOM 47 C HIS A 4 -9.492 18.386 -23.804 1.00 45.10 C ATOM 48 O HIS A 4 -9.785 17.190 -23.770 1.00 33.03 O ATOM 49 CB HIS A 4 -8.560 19.433 -25.900 1.00 70.51 C ATOM 50 CG HIS A 4 -8.813 20.255 -27.130 1.00 1.11 C ATOM 51 ND1 HIS A 4 -9.148 19.707 -28.349 1.00 64.54 N ATOM 52 CD2 HIS A 4 -8.795 21.597 -27.321 1.00 41.34 C ATOM 53 CE1 HIS A 4 -9.326 20.669 -29.231 1.00 23.33 C ATOM 54 NE2 HIS A 4 -9.120 21.826 -28.636 1.00 63.22 N ATOM 0 H HIS A 4 -9.746 21.346 -24.899 1.00 31.15 H new ATOM 0 HA HIS A 4 -10.572 18.735 -25.617 1.00 15.22 H new ATOM 0 HB2 HIS A 4 -7.780 19.909 -25.306 1.00 70.51 H new ATOM 0 HB3 HIS A 4 -8.183 18.454 -26.196 1.00 70.51 H new ATOM 0 HD2 HIS A 4 -8.567 22.347 -26.578 1.00 41.34 H new ATOM 0 HE1 HIS A 4 -9.596 20.532 -30.268 1.00 23.33 H new ATOM 0 HE2 HIS A 4 -9.190 22.742 -29.079 1.00 63.22 H new ATOM 63 N HIS A 5 -8.884 19.008 -22.799 1.00 74.10 N ATOM 64 CA HIS A 5 -8.644 18.360 -21.506 1.00 24.33 C ATOM 65 C HIS A 5 -9.337 19.141 -20.379 1.00 11.04 C ATOM 66 O HIS A 5 -9.150 20.350 -20.248 1.00 74.13 O ATOM 67 CB HIS A 5 -7.138 18.262 -21.223 1.00 64.44 C ATOM 68 CG HIS A 5 -6.400 17.354 -22.164 1.00 11.15 C ATOM 69 ND1 HIS A 5 -5.739 16.219 -21.749 1.00 14.42 N ATOM 70 CD2 HIS A 5 -6.209 17.422 -23.503 1.00 64.25 C ATOM 71 CE1 HIS A 5 -5.176 15.633 -22.785 1.00 71.03 C ATOM 72 NE2 HIS A 5 -5.445 16.339 -23.861 1.00 22.42 N ATOM 0 H HIS A 5 -8.544 19.968 -22.853 1.00 74.10 H new ATOM 0 HA HIS A 5 -9.060 17.353 -21.547 1.00 24.33 H new ATOM 0 HB2 HIS A 5 -6.702 19.259 -21.279 1.00 64.44 H new ATOM 0 HB3 HIS A 5 -6.992 17.908 -20.203 1.00 64.44 H new ATOM 0 HD2 HIS A 5 -6.587 18.186 -24.166 1.00 64.25 H new ATOM 0 HE1 HIS A 5 -4.592 14.725 -22.756 1.00 71.03 H new ATOM 0 HE2 HIS A 5 -5.136 16.118 -24.808 1.00 22.42 H new ATOM 81 N HIS A 6 -10.140 18.449 -19.572 1.00 73.24 N ATOM 82 CA HIS A 6 -10.828 19.080 -18.435 1.00 31.51 C ATOM 83 C HIS A 6 -9.828 19.499 -17.345 1.00 42.12 C ATOM 84 O HIS A 6 -10.068 20.443 -16.592 1.00 2.12 O ATOM 85 CB HIS A 6 -11.895 18.134 -17.867 1.00 14.22 C ATOM 86 CG HIS A 6 -13.059 17.932 -18.793 1.00 20.22 C ATOM 87 ND1 HIS A 6 -13.175 16.848 -19.636 1.00 62.24 N ATOM 88 CD2 HIS A 6 -14.164 18.689 -19.009 1.00 35.23 C ATOM 89 CE1 HIS A 6 -14.293 16.945 -20.328 1.00 11.14 C ATOM 90 NE2 HIS A 6 -14.908 18.051 -19.968 1.00 53.04 N ATOM 0 H HIS A 6 -10.333 17.453 -19.680 1.00 73.24 H new ATOM 0 HA HIS A 6 -11.322 19.983 -18.793 1.00 31.51 H new ATOM 0 HB2 HIS A 6 -11.438 17.168 -17.652 1.00 14.22 H new ATOM 0 HB3 HIS A 6 -12.258 18.533 -16.920 1.00 14.22 H new ATOM 0 HD2 HIS A 6 -14.411 19.619 -18.518 1.00 35.23 H new ATOM 0 HE1 HIS A 6 -14.644 16.237 -21.065 1.00 11.14 H new ATOM 0 HE2 HIS A 6 -15.797 18.381 -20.343 1.00 53.04 H new ATOM 99 N HIS A 7 -8.714 18.777 -17.269 1.00 62.24 N ATOM 100 CA HIS A 7 -7.581 19.159 -16.421 1.00 61.24 C ATOM 101 C HIS A 7 -6.259 18.915 -17.167 1.00 13.51 C ATOM 102 O HIS A 7 -5.653 17.847 -17.058 1.00 63.24 O ATOM 103 CB HIS A 7 -7.610 18.404 -15.079 1.00 20.24 C ATOM 104 CG HIS A 7 -7.741 16.914 -15.209 1.00 11.42 C ATOM 105 ND1 HIS A 7 -6.665 16.075 -15.403 1.00 34.23 N ATOM 106 CD2 HIS A 7 -8.832 16.111 -15.168 1.00 21.33 C ATOM 107 CE1 HIS A 7 -7.084 14.830 -15.477 1.00 11.21 C ATOM 108 NE2 HIS A 7 -8.390 14.822 -15.337 1.00 70.33 N ATOM 0 H HIS A 7 -8.568 17.913 -17.790 1.00 62.24 H new ATOM 0 HA HIS A 7 -7.661 20.223 -16.196 1.00 61.24 H new ATOM 0 HB2 HIS A 7 -6.696 18.630 -14.529 1.00 20.24 H new ATOM 0 HB3 HIS A 7 -8.442 18.779 -14.483 1.00 20.24 H new ATOM 0 HD1 HIS A 7 -5.693 16.374 -15.478 1.00 34.23 H new ATOM 0 HD2 HIS A 7 -9.856 16.426 -15.029 1.00 21.33 H new ATOM 0 HE1 HIS A 7 -6.460 13.962 -15.627 1.00 11.21 H new ATOM 117 N HIS A 8 -5.832 19.903 -17.953 1.00 4.34 N ATOM 118 CA HIS A 8 -4.643 19.751 -18.799 1.00 25.40 C ATOM 119 C HIS A 8 -3.346 19.680 -17.973 1.00 34.41 C ATOM 120 O HIS A 8 -2.856 20.685 -17.460 1.00 61.32 O ATOM 121 CB HIS A 8 -4.570 20.866 -19.863 1.00 53.44 C ATOM 122 CG HIS A 8 -4.701 22.269 -19.339 1.00 4.42 C ATOM 123 ND1 HIS A 8 -5.869 22.998 -19.421 1.00 42.24 N ATOM 124 CD2 HIS A 8 -3.796 23.091 -18.760 1.00 61.21 C ATOM 125 CE1 HIS A 8 -5.673 24.199 -18.917 1.00 73.24 C ATOM 126 NE2 HIS A 8 -4.427 24.280 -18.511 1.00 44.42 N ATOM 0 H HIS A 8 -6.287 20.813 -18.023 1.00 4.34 H new ATOM 0 HA HIS A 8 -4.740 18.797 -19.317 1.00 25.40 H new ATOM 0 HB2 HIS A 8 -3.619 20.780 -20.389 1.00 53.44 H new ATOM 0 HB3 HIS A 8 -5.357 20.696 -20.597 1.00 53.44 H new ATOM 0 HD2 HIS A 8 -2.767 22.853 -18.536 1.00 61.21 H new ATOM 0 HE1 HIS A 8 -6.412 24.984 -18.849 1.00 73.24 H new ATOM 0 HE2 HIS A 8 -3.998 25.098 -18.079 1.00 44.42 H new ATOM 135 N SER A 9 -2.820 18.466 -17.843 1.00 11.32 N ATOM 136 CA SER A 9 -1.570 18.208 -17.116 1.00 71.41 C ATOM 137 C SER A 9 -1.034 16.814 -17.480 1.00 0.43 C ATOM 138 O SER A 9 -1.476 16.218 -18.463 1.00 43.12 O ATOM 139 CB SER A 9 -1.797 18.308 -15.599 1.00 15.20 C ATOM 140 OG SER A 9 -0.586 18.118 -14.882 1.00 40.34 O ATOM 0 H SER A 9 -3.246 17.627 -18.238 1.00 11.32 H new ATOM 0 HA SER A 9 -0.836 18.960 -17.404 1.00 71.41 H new ATOM 0 HB2 SER A 9 -2.217 19.284 -15.356 1.00 15.20 H new ATOM 0 HB3 SER A 9 -2.527 17.561 -15.288 1.00 15.20 H new ATOM 0 HG SER A 9 -0.761 18.189 -13.920 1.00 40.34 H new ATOM 146 N HIS A 10 -0.083 16.296 -16.704 1.00 35.12 N ATOM 147 CA HIS A 10 0.458 14.953 -16.948 1.00 52.11 C ATOM 148 C HIS A 10 1.213 14.408 -15.724 1.00 32.25 C ATOM 149 O HIS A 10 1.961 15.135 -15.060 1.00 23.21 O ATOM 150 CB HIS A 10 1.375 14.958 -18.176 1.00 70.23 C ATOM 151 CG HIS A 10 2.546 15.885 -18.057 1.00 42.12 C ATOM 152 ND1 HIS A 10 3.741 15.518 -17.475 1.00 24.12 N ATOM 153 CD2 HIS A 10 2.706 17.171 -18.453 1.00 74.33 C ATOM 154 CE1 HIS A 10 4.580 16.530 -17.517 1.00 21.11 C ATOM 155 NE2 HIS A 10 3.980 17.546 -18.105 1.00 12.22 N ATOM 0 H HIS A 10 0.329 16.779 -15.906 1.00 35.12 H new ATOM 0 HA HIS A 10 -0.388 14.292 -17.137 1.00 52.11 H new ATOM 0 HB2 HIS A 10 1.742 13.946 -18.347 1.00 70.23 H new ATOM 0 HB3 HIS A 10 0.790 15.238 -19.052 1.00 70.23 H new ATOM 0 HD2 HIS A 10 1.970 17.786 -18.949 1.00 74.33 H new ATOM 0 HE1 HIS A 10 5.590 16.529 -17.134 1.00 21.11 H new ATOM 0 HE2 HIS A 10 4.395 18.462 -18.274 1.00 12.22 H new ATOM 164 N MET A 11 1.019 13.124 -15.438 1.00 23.45 N ATOM 165 CA MET A 11 1.669 12.476 -14.295 1.00 54.15 C ATOM 166 C MET A 11 1.716 10.950 -14.464 1.00 2.04 C ATOM 167 O MET A 11 0.723 10.320 -14.838 1.00 74.42 O ATOM 168 CB MET A 11 0.941 12.842 -12.988 1.00 21.14 C ATOM 169 CG MET A 11 -0.538 12.467 -12.976 1.00 62.24 C ATOM 170 SD MET A 11 -1.369 12.967 -11.454 1.00 22.51 S ATOM 171 CE MET A 11 -3.030 12.358 -11.753 1.00 24.25 C ATOM 0 H MET A 11 0.416 12.507 -15.982 1.00 23.45 H new ATOM 0 HA MET A 11 2.695 12.840 -14.247 1.00 54.15 H new ATOM 0 HB2 MET A 11 1.438 12.344 -12.155 1.00 21.14 H new ATOM 0 HB3 MET A 11 1.035 13.915 -12.820 1.00 21.14 H new ATOM 0 HG2 MET A 11 -1.034 12.934 -13.827 1.00 62.24 H new ATOM 0 HG3 MET A 11 -0.637 11.389 -13.102 1.00 62.24 H new ATOM 0 HE1 MET A 11 -3.663 12.593 -10.897 1.00 24.25 H new ATOM 0 HE2 MET A 11 -3.436 12.833 -12.646 1.00 24.25 H new ATOM 0 HE3 MET A 11 -3.001 11.278 -11.898 1.00 24.25 H new ATOM 181 N ASN A 12 2.879 10.363 -14.197 1.00 12.22 N ATOM 182 CA ASN A 12 3.049 8.908 -14.250 1.00 43.35 C ATOM 183 C ASN A 12 2.275 8.221 -13.110 1.00 35.12 C ATOM 184 O ASN A 12 2.002 8.833 -12.073 1.00 53.14 O ATOM 185 CB ASN A 12 4.546 8.556 -14.170 1.00 74.23 C ATOM 186 CG ASN A 12 4.812 7.059 -14.209 1.00 41.40 C ATOM 187 OD1 ASN A 12 4.047 6.292 -14.780 1.00 12.31 O ATOM 188 ND2 ASN A 12 5.908 6.633 -13.618 1.00 63.31 N ATOM 0 H ASN A 12 3.724 10.873 -13.940 1.00 12.22 H new ATOM 0 HA ASN A 12 2.646 8.545 -15.195 1.00 43.35 H new ATOM 0 HB2 ASN A 12 5.070 9.033 -14.998 1.00 74.23 H new ATOM 0 HB3 ASN A 12 4.961 8.968 -13.250 1.00 74.23 H new ATOM 0 HD21 ASN A 12 6.140 5.640 -13.628 1.00 63.31 H new ATOM 0 HD22 ASN A 12 6.526 7.296 -13.150 1.00 63.31 H new ATOM 195 N SER A 13 1.926 6.953 -13.311 1.00 10.13 N ATOM 196 CA SER A 13 1.234 6.156 -12.287 1.00 33.00 C ATOM 197 C SER A 13 1.944 6.257 -10.928 1.00 51.43 C ATOM 198 O SER A 13 1.307 6.479 -9.897 1.00 61.01 O ATOM 199 CB SER A 13 1.151 4.686 -12.721 1.00 13.14 C ATOM 200 OG SER A 13 2.441 4.158 -12.987 1.00 32.02 O ATOM 0 H SER A 13 2.110 6.448 -14.178 1.00 10.13 H new ATOM 0 HA SER A 13 0.226 6.557 -12.178 1.00 33.00 H new ATOM 0 HB2 SER A 13 0.669 4.099 -11.939 1.00 13.14 H new ATOM 0 HB3 SER A 13 0.529 4.601 -13.612 1.00 13.14 H new ATOM 0 HG SER A 13 2.895 4.721 -13.649 1.00 32.02 H new ATOM 206 N ALA A 14 3.265 6.106 -10.933 1.00 35.34 N ATOM 207 CA ALA A 14 4.074 6.282 -9.720 1.00 64.33 C ATOM 208 C ALA A 14 3.870 7.675 -9.088 1.00 40.44 C ATOM 209 O ALA A 14 3.617 7.792 -7.887 1.00 32.15 O ATOM 210 CB ALA A 14 5.547 6.058 -10.037 1.00 5.23 C ATOM 0 H ALA A 14 3.804 5.861 -11.764 1.00 35.34 H new ATOM 0 HA ALA A 14 3.743 5.541 -8.992 1.00 64.33 H new ATOM 0 HB1 ALA A 14 6.138 6.191 -9.131 1.00 5.23 H new ATOM 0 HB2 ALA A 14 5.688 5.046 -10.417 1.00 5.23 H new ATOM 0 HB3 ALA A 14 5.870 6.777 -10.790 1.00 5.23 H new ATOM 216 N GLU A 15 3.970 8.726 -9.912 1.00 21.13 N ATOM 217 CA GLU A 15 3.811 10.113 -9.441 1.00 34.20 C ATOM 218 C GLU A 15 2.453 10.333 -8.755 1.00 12.44 C ATOM 219 O GLU A 15 2.388 10.862 -7.641 1.00 71.40 O ATOM 220 CB GLU A 15 3.952 11.109 -10.607 1.00 65.55 C ATOM 221 CG GLU A 15 5.348 11.184 -11.220 1.00 33.01 C ATOM 222 CD GLU A 15 5.430 12.221 -12.336 1.00 63.42 C ATOM 223 OE1 GLU A 15 5.645 13.416 -12.035 1.00 64.33 O ATOM 224 OE2 GLU A 15 5.257 11.851 -13.513 1.00 12.32 O ATOM 0 H GLU A 15 4.161 8.644 -10.911 1.00 21.13 H new ATOM 0 HA GLU A 15 4.602 10.288 -8.712 1.00 34.20 H new ATOM 0 HB2 GLU A 15 3.242 10.836 -11.388 1.00 65.55 H new ATOM 0 HB3 GLU A 15 3.672 12.102 -10.254 1.00 65.55 H new ATOM 0 HG2 GLU A 15 6.072 11.430 -10.443 1.00 33.01 H new ATOM 0 HG3 GLU A 15 5.624 10.206 -11.614 1.00 33.01 H new ATOM 231 N GLN A 16 1.373 9.930 -9.423 1.00 63.32 N ATOM 232 CA GLN A 16 0.021 10.137 -8.891 1.00 53.44 C ATOM 233 C GLN A 16 -0.225 9.303 -7.623 1.00 53.31 C ATOM 234 O GLN A 16 -0.919 9.747 -6.710 1.00 24.12 O ATOM 235 CB GLN A 16 -1.042 9.813 -9.951 1.00 24.53 C ATOM 236 CG GLN A 16 -1.082 8.348 -10.365 1.00 54.43 C ATOM 237 CD GLN A 16 -2.230 8.036 -11.311 1.00 64.30 C ATOM 238 OE1 GLN A 16 -3.329 7.701 -10.881 1.00 40.42 O ATOM 239 NE2 GLN A 16 -1.987 8.135 -12.603 1.00 51.44 N ATOM 0 H GLN A 16 1.404 9.461 -10.328 1.00 63.32 H new ATOM 0 HA GLN A 16 -0.060 11.190 -8.623 1.00 53.44 H new ATOM 0 HB2 GLN A 16 -2.021 10.097 -9.566 1.00 24.53 H new ATOM 0 HB3 GLN A 16 -0.857 10.424 -10.834 1.00 24.53 H new ATOM 0 HG2 GLN A 16 -0.139 8.085 -10.845 1.00 54.43 H new ATOM 0 HG3 GLN A 16 -1.171 7.726 -9.475 1.00 54.43 H new ATOM 0 HE21 GLN A 16 -1.062 8.416 -12.928 1.00 51.44 H new ATOM 0 HE22 GLN A 16 -2.724 7.930 -13.278 1.00 51.44 H new ATOM 248 N THR A 17 0.347 8.097 -7.572 1.00 72.01 N ATOM 249 CA THR A 17 0.214 7.228 -6.392 1.00 74.32 C ATOM 250 C THR A 17 0.797 7.897 -5.137 1.00 11.24 C ATOM 251 O THR A 17 0.196 7.850 -4.065 1.00 22.31 O ATOM 252 CB THR A 17 0.895 5.852 -6.609 1.00 40.51 C ATOM 253 OG1 THR A 17 0.290 5.175 -7.721 1.00 60.01 O ATOM 254 CG2 THR A 17 0.787 4.967 -5.367 1.00 25.42 C ATOM 0 H THR A 17 0.904 7.699 -8.328 1.00 72.01 H new ATOM 0 HA THR A 17 -0.854 7.065 -6.245 1.00 74.32 H new ATOM 0 HB THR A 17 1.950 6.037 -6.810 1.00 40.51 H new ATOM 0 HG1 THR A 17 0.586 5.591 -8.558 1.00 60.01 H new ATOM 0 HG21 THR A 17 1.276 4.011 -5.558 1.00 25.42 H new ATOM 0 HG22 THR A 17 1.272 5.461 -4.525 1.00 25.42 H new ATOM 0 HG23 THR A 17 -0.264 4.797 -5.132 1.00 25.42 H new ATOM 262 N VAL A 18 1.965 8.533 -5.279 1.00 25.10 N ATOM 263 CA VAL A 18 2.568 9.293 -4.171 1.00 21.15 C ATOM 264 C VAL A 18 1.594 10.363 -3.641 1.00 21.13 C ATOM 265 O VAL A 18 1.283 10.408 -2.449 1.00 54.31 O ATOM 266 CB VAL A 18 3.891 9.981 -4.599 1.00 71.31 C ATOM 267 CG1 VAL A 18 4.510 10.761 -3.435 1.00 14.41 C ATOM 268 CG2 VAL A 18 4.883 8.959 -5.152 1.00 65.42 C ATOM 0 H VAL A 18 2.510 8.539 -6.141 1.00 25.10 H new ATOM 0 HA VAL A 18 2.786 8.575 -3.381 1.00 21.15 H new ATOM 0 HB VAL A 18 3.655 10.691 -5.392 1.00 71.31 H new ATOM 0 HG11 VAL A 18 5.436 11.232 -3.764 1.00 14.41 H new ATOM 0 HG12 VAL A 18 3.812 11.528 -3.099 1.00 14.41 H new ATOM 0 HG13 VAL A 18 4.723 10.079 -2.612 1.00 14.41 H new ATOM 0 HG21 VAL A 18 5.802 9.466 -5.445 1.00 65.42 H new ATOM 0 HG22 VAL A 18 5.106 8.217 -4.385 1.00 65.42 H new ATOM 0 HG23 VAL A 18 4.449 8.464 -6.021 1.00 65.42 H new ATOM 278 N THR A 19 1.102 11.214 -4.545 1.00 11.11 N ATOM 279 CA THR A 19 0.131 12.262 -4.184 1.00 25.42 C ATOM 280 C THR A 19 -1.148 11.653 -3.585 1.00 50.20 C ATOM 281 O THR A 19 -1.743 12.201 -2.655 1.00 0.32 O ATOM 282 CB THR A 19 -0.259 13.124 -5.415 1.00 62.40 C ATOM 283 OG1 THR A 19 0.907 13.730 -6.003 1.00 53.41 O ATOM 284 CG2 THR A 19 -1.254 14.217 -5.031 1.00 45.03 C ATOM 0 H THR A 19 1.357 11.202 -5.533 1.00 11.11 H new ATOM 0 HA THR A 19 0.617 12.895 -3.441 1.00 25.42 H new ATOM 0 HB THR A 19 -0.727 12.460 -6.142 1.00 62.40 H new ATOM 0 HG1 THR A 19 0.641 14.267 -6.778 1.00 53.41 H new ATOM 0 HG21 THR A 19 -1.508 14.804 -5.914 1.00 45.03 H new ATOM 0 HG22 THR A 19 -2.157 13.761 -4.626 1.00 45.03 H new ATOM 0 HG23 THR A 19 -0.808 14.867 -4.279 1.00 45.03 H new ATOM 292 N TRP A 20 -1.553 10.507 -4.126 1.00 50.52 N ATOM 293 CA TRP A 20 -2.760 9.801 -3.678 1.00 53.21 C ATOM 294 C TRP A 20 -2.650 9.382 -2.198 1.00 74.43 C ATOM 295 O TRP A 20 -3.573 9.597 -1.409 1.00 44.31 O ATOM 296 CB TRP A 20 -2.996 8.579 -4.581 1.00 43.05 C ATOM 297 CG TRP A 20 -4.256 7.815 -4.289 1.00 51.13 C ATOM 298 CD1 TRP A 20 -5.521 8.318 -4.185 1.00 15.24 C ATOM 299 CD2 TRP A 20 -4.368 6.400 -4.099 1.00 52.22 C ATOM 300 NE1 TRP A 20 -6.411 7.302 -3.936 1.00 1.21 N ATOM 301 CE2 TRP A 20 -5.726 6.114 -3.875 1.00 24.04 C ATOM 302 CE3 TRP A 20 -3.446 5.348 -4.095 1.00 24.52 C ATOM 303 CZ2 TRP A 20 -6.188 4.820 -3.648 1.00 31.22 C ATOM 304 CZ3 TRP A 20 -3.904 4.063 -3.869 1.00 1.31 C ATOM 305 CH2 TRP A 20 -5.264 3.810 -3.650 1.00 33.32 C ATOM 0 H TRP A 20 -1.058 10.039 -4.885 1.00 50.52 H new ATOM 0 HA TRP A 20 -3.613 10.476 -3.756 1.00 53.21 H new ATOM 0 HB2 TRP A 20 -3.021 8.911 -5.619 1.00 43.05 H new ATOM 0 HB3 TRP A 20 -2.147 7.903 -4.483 1.00 43.05 H new ATOM 0 HD1 TRP A 20 -5.783 9.361 -4.284 1.00 15.24 H new ATOM 0 HE1 TRP A 20 -7.418 7.412 -3.816 1.00 1.21 H new ATOM 0 HE3 TRP A 20 -2.396 5.536 -4.265 1.00 24.52 H new ATOM 0 HZ2 TRP A 20 -7.236 4.621 -3.477 1.00 31.22 H new ATOM 0 HZ3 TRP A 20 -3.202 3.242 -3.861 1.00 1.31 H new ATOM 0 HH2 TRP A 20 -5.591 2.795 -3.479 1.00 33.32 H new ATOM 316 N LEU A 21 -1.511 8.805 -1.824 1.00 71.13 N ATOM 317 CA LEU A 21 -1.261 8.413 -0.431 1.00 51.40 C ATOM 318 C LEU A 21 -1.260 9.638 0.507 1.00 13.40 C ATOM 319 O LEU A 21 -1.722 9.566 1.651 1.00 10.01 O ATOM 320 CB LEU A 21 0.078 7.669 -0.324 1.00 33.41 C ATOM 321 CG LEU A 21 0.190 6.382 -1.158 1.00 73.44 C ATOM 322 CD1 LEU A 21 1.570 5.753 -0.991 1.00 62.12 C ATOM 323 CD2 LEU A 21 -0.904 5.392 -0.772 1.00 41.42 C ATOM 0 H LEU A 21 -0.744 8.597 -2.463 1.00 71.13 H new ATOM 0 HA LEU A 21 -2.068 7.750 -0.120 1.00 51.40 H new ATOM 0 HB2 LEU A 21 0.876 8.348 -0.627 1.00 33.41 H new ATOM 0 HB3 LEU A 21 0.252 7.419 0.723 1.00 33.41 H new ATOM 0 HG LEU A 21 0.057 6.642 -2.208 1.00 73.44 H new ATOM 0 HD11 LEU A 21 1.630 4.843 -1.589 1.00 62.12 H new ATOM 0 HD12 LEU A 21 2.333 6.457 -1.323 1.00 62.12 H new ATOM 0 HD13 LEU A 21 1.734 5.509 0.059 1.00 62.12 H new ATOM 0 HD21 LEU A 21 -0.806 4.489 -1.374 1.00 41.42 H new ATOM 0 HD22 LEU A 21 -0.808 5.137 0.283 1.00 41.42 H new ATOM 0 HD23 LEU A 21 -1.881 5.842 -0.949 1.00 41.42 H new ATOM 335 N ILE A 22 -0.745 10.760 0.009 1.00 11.01 N ATOM 336 CA ILE A 22 -0.690 12.005 0.782 1.00 13.33 C ATOM 337 C ILE A 22 -2.092 12.608 0.991 1.00 2.20 C ATOM 338 O ILE A 22 -2.462 12.962 2.109 1.00 33.44 O ATOM 339 CB ILE A 22 0.223 13.052 0.093 1.00 73.45 C ATOM 340 CG1 ILE A 22 1.650 12.493 -0.069 1.00 43.11 C ATOM 341 CG2 ILE A 22 0.243 14.364 0.882 1.00 2.41 C ATOM 342 CD1 ILE A 22 2.592 13.416 -0.818 1.00 63.52 C ATOM 0 H ILE A 22 -0.357 10.835 -0.931 1.00 11.01 H new ATOM 0 HA ILE A 22 -0.272 11.751 1.756 1.00 13.33 H new ATOM 0 HB ILE A 22 -0.183 13.262 -0.897 1.00 73.45 H new ATOM 0 HG12 ILE A 22 2.064 12.291 0.919 1.00 43.11 H new ATOM 0 HG13 ILE A 22 1.598 11.539 -0.594 1.00 43.11 H new ATOM 0 HG21 ILE A 22 0.890 15.082 0.378 1.00 2.41 H new ATOM 0 HG22 ILE A 22 -0.768 14.767 0.943 1.00 2.41 H new ATOM 0 HG23 ILE A 22 0.621 14.178 1.887 1.00 2.41 H new ATOM 0 HD11 ILE A 22 3.575 12.952 -0.890 1.00 63.52 H new ATOM 0 HD12 ILE A 22 2.202 13.599 -1.820 1.00 63.52 H new ATOM 0 HD13 ILE A 22 2.676 14.362 -0.283 1.00 63.52 H new ATOM 354 N THR A 23 -2.876 12.707 -0.084 1.00 71.12 N ATOM 355 CA THR A 23 -4.219 13.316 -0.011 1.00 52.44 C ATOM 356 C THR A 23 -5.186 12.489 0.856 1.00 20.21 C ATOM 357 O THR A 23 -6.141 13.024 1.421 1.00 43.54 O ATOM 358 CB THR A 23 -4.848 13.522 -1.416 1.00 40.40 C ATOM 359 OG1 THR A 23 -6.103 14.216 -1.302 1.00 44.31 O ATOM 360 CG2 THR A 23 -5.074 12.192 -2.129 1.00 34.20 C ATOM 0 H THR A 23 -2.613 12.378 -1.013 1.00 71.12 H new ATOM 0 HA THR A 23 -4.072 14.290 0.455 1.00 52.44 H new ATOM 0 HB THR A 23 -4.148 14.116 -2.004 1.00 40.40 H new ATOM 0 HG1 THR A 23 -6.490 14.342 -2.194 1.00 44.31 H new ATOM 0 HG21 THR A 23 -5.515 12.375 -3.109 1.00 34.20 H new ATOM 0 HG22 THR A 23 -4.121 11.678 -2.251 1.00 34.20 H new ATOM 0 HG23 THR A 23 -5.748 11.572 -1.538 1.00 34.20 H new ATOM 368 N LEU A 24 -4.945 11.180 0.952 1.00 32.51 N ATOM 369 CA LEU A 24 -5.742 10.304 1.826 1.00 24.15 C ATOM 370 C LEU A 24 -5.294 10.408 3.297 1.00 24.24 C ATOM 371 O LEU A 24 -5.936 9.860 4.193 1.00 15.11 O ATOM 372 CB LEU A 24 -5.648 8.849 1.342 1.00 31.31 C ATOM 373 CG LEU A 24 -6.317 8.561 -0.014 1.00 51.11 C ATOM 374 CD1 LEU A 24 -6.046 7.129 -0.459 1.00 42.42 C ATOM 375 CD2 LEU A 24 -7.821 8.818 0.060 1.00 11.23 C ATOM 0 H LEU A 24 -4.206 10.700 0.438 1.00 32.51 H new ATOM 0 HA LEU A 24 -6.779 10.634 1.773 1.00 24.15 H new ATOM 0 HB2 LEU A 24 -4.596 8.573 1.275 1.00 31.31 H new ATOM 0 HB3 LEU A 24 -6.099 8.203 2.095 1.00 31.31 H new ATOM 0 HG LEU A 24 -5.886 9.238 -0.752 1.00 51.11 H new ATOM 0 HD11 LEU A 24 -6.529 6.949 -1.420 1.00 42.42 H new ATOM 0 HD12 LEU A 24 -4.971 6.976 -0.559 1.00 42.42 H new ATOM 0 HD13 LEU A 24 -6.444 6.436 0.282 1.00 42.42 H new ATOM 0 HD21 LEU A 24 -8.274 8.608 -0.909 1.00 11.23 H new ATOM 0 HD22 LEU A 24 -8.264 8.170 0.816 1.00 11.23 H new ATOM 0 HD23 LEU A 24 -7.999 9.860 0.326 1.00 11.23 H new ATOM 387 N GLY A 25 -4.187 11.111 3.531 1.00 53.03 N ATOM 388 CA GLY A 25 -3.698 11.332 4.890 1.00 63.24 C ATOM 389 C GLY A 25 -3.049 10.102 5.518 1.00 14.15 C ATOM 390 O GLY A 25 -2.858 10.045 6.733 1.00 14.12 O ATOM 0 H GLY A 25 -3.615 11.535 2.801 1.00 53.03 H new ATOM 0 HA2 GLY A 25 -2.974 12.147 4.878 1.00 63.24 H new ATOM 0 HA3 GLY A 25 -4.529 11.653 5.518 1.00 63.24 H new ATOM 394 N VAL A 26 -2.711 9.110 4.698 1.00 15.32 N ATOM 395 CA VAL A 26 -2.077 7.883 5.200 1.00 75.13 C ATOM 396 C VAL A 26 -0.549 7.976 5.133 1.00 43.52 C ATOM 397 O VAL A 26 0.159 7.366 5.937 1.00 3.52 O ATOM 398 CB VAL A 26 -2.561 6.635 4.424 1.00 72.40 C ATOM 399 CG1 VAL A 26 -4.076 6.503 4.536 1.00 34.42 C ATOM 400 CG2 VAL A 26 -2.125 6.683 2.959 1.00 21.51 C ATOM 0 H VAL A 26 -2.862 9.126 3.689 1.00 15.32 H new ATOM 0 HA VAL A 26 -2.375 7.778 6.243 1.00 75.13 H new ATOM 0 HB VAL A 26 -2.098 5.756 4.872 1.00 72.40 H new ATOM 0 HG11 VAL A 26 -4.406 5.622 3.986 1.00 34.42 H new ATOM 0 HG12 VAL A 26 -4.356 6.403 5.585 1.00 34.42 H new ATOM 0 HG13 VAL A 26 -4.550 7.390 4.117 1.00 34.42 H new ATOM 0 HG21 VAL A 26 -2.482 5.791 2.444 1.00 21.51 H new ATOM 0 HG22 VAL A 26 -2.545 7.569 2.483 1.00 21.51 H new ATOM 0 HG23 VAL A 26 -1.037 6.723 2.904 1.00 21.51 H new ATOM 410 N LEU A 27 -0.049 8.748 4.174 1.00 53.10 N ATOM 411 CA LEU A 27 1.388 8.995 4.040 1.00 2.50 C ATOM 412 C LEU A 27 1.682 10.492 4.173 1.00 73.21 C ATOM 413 O LEU A 27 0.944 11.331 3.653 1.00 71.41 O ATOM 414 CB LEU A 27 1.895 8.472 2.689 1.00 53.53 C ATOM 415 CG LEU A 27 3.413 8.597 2.458 1.00 12.23 C ATOM 416 CD1 LEU A 27 4.191 7.808 3.509 1.00 61.14 C ATOM 417 CD2 LEU A 27 3.786 8.135 1.049 1.00 15.01 C ATOM 0 H LEU A 27 -0.620 9.218 3.472 1.00 53.10 H new ATOM 0 HA LEU A 27 1.909 8.464 4.837 1.00 2.50 H new ATOM 0 HB2 LEU A 27 1.616 7.422 2.598 1.00 53.53 H new ATOM 0 HB3 LEU A 27 1.378 9.009 1.894 1.00 53.53 H new ATOM 0 HG LEU A 27 3.684 9.648 2.555 1.00 12.23 H new ATOM 0 HD11 LEU A 27 5.260 7.912 3.324 1.00 61.14 H new ATOM 0 HD12 LEU A 27 3.955 8.193 4.501 1.00 61.14 H new ATOM 0 HD13 LEU A 27 3.914 6.755 3.453 1.00 61.14 H new ATOM 0 HD21 LEU A 27 4.862 8.232 0.907 1.00 15.01 H new ATOM 0 HD22 LEU A 27 3.495 7.093 0.919 1.00 15.01 H new ATOM 0 HD23 LEU A 27 3.267 8.751 0.315 1.00 15.01 H new ATOM 429 N GLU A 28 2.746 10.824 4.889 1.00 51.54 N ATOM 430 CA GLU A 28 3.137 12.222 5.094 1.00 3.12 C ATOM 431 C GLU A 28 3.798 12.823 3.842 1.00 52.32 C ATOM 432 O GLU A 28 4.320 12.104 2.988 1.00 15.54 O ATOM 433 CB GLU A 28 4.082 12.333 6.293 1.00 4.43 C ATOM 434 CG GLU A 28 5.293 11.412 6.208 1.00 32.01 C ATOM 435 CD GLU A 28 6.203 11.524 7.419 1.00 55.20 C ATOM 436 OE1 GLU A 28 5.733 11.257 8.545 1.00 11.43 O ATOM 437 OE2 GLU A 28 7.390 11.870 7.247 1.00 3.23 O ATOM 0 H GLU A 28 3.360 10.146 5.341 1.00 51.54 H new ATOM 0 HA GLU A 28 2.229 12.792 5.292 1.00 3.12 H new ATOM 0 HB2 GLU A 28 4.426 13.364 6.378 1.00 4.43 H new ATOM 0 HB3 GLU A 28 3.527 12.106 7.203 1.00 4.43 H new ATOM 0 HG2 GLU A 28 4.954 10.381 6.108 1.00 32.01 H new ATOM 0 HG3 GLU A 28 5.862 11.649 5.309 1.00 32.01 H new ATOM 444 N SER A 29 3.776 14.148 3.755 1.00 22.53 N ATOM 445 CA SER A 29 4.351 14.872 2.613 1.00 73.24 C ATOM 446 C SER A 29 5.887 14.909 2.678 1.00 53.14 C ATOM 447 O SER A 29 6.469 15.051 3.758 1.00 2.12 O ATOM 448 CB SER A 29 3.795 16.305 2.560 1.00 24.03 C ATOM 449 OG SER A 29 3.977 16.979 3.800 1.00 74.33 O ATOM 0 H SER A 29 3.364 14.753 4.465 1.00 22.53 H new ATOM 0 HA SER A 29 4.067 14.337 1.707 1.00 73.24 H new ATOM 0 HB2 SER A 29 4.293 16.861 1.766 1.00 24.03 H new ATOM 0 HB3 SER A 29 2.734 16.276 2.312 1.00 24.03 H new ATOM 0 HG SER A 29 3.615 17.887 3.735 1.00 74.33 H new ATOM 455 N PRO A 30 6.563 14.791 1.514 1.00 61.24 N ATOM 456 CA PRO A 30 8.032 14.768 1.446 1.00 34.45 C ATOM 457 C PRO A 30 8.672 16.147 1.669 1.00 31.31 C ATOM 458 O PRO A 30 7.986 17.172 1.698 1.00 62.23 O ATOM 459 CB PRO A 30 8.303 14.274 0.021 1.00 50.11 C ATOM 460 CG PRO A 30 7.129 14.749 -0.764 1.00 34.24 C ATOM 461 CD PRO A 30 5.950 14.677 0.172 1.00 60.13 C ATOM 0 HA PRO A 30 8.461 14.142 2.228 1.00 34.45 H new ATOM 0 HB2 PRO A 30 9.235 14.682 -0.371 1.00 50.11 H new ATOM 0 HB3 PRO A 30 8.391 13.188 -0.013 1.00 50.11 H new ATOM 0 HG2 PRO A 30 7.283 15.768 -1.120 1.00 34.24 H new ATOM 0 HG3 PRO A 30 6.969 14.125 -1.643 1.00 34.24 H new ATOM 0 HD2 PRO A 30 5.240 15.483 -0.014 1.00 60.13 H new ATOM 0 HD3 PRO A 30 5.405 13.740 0.059 1.00 60.13 H new ATOM 469 N LYS A 31 9.993 16.163 1.820 1.00 42.32 N ATOM 470 CA LYS A 31 10.733 17.408 2.046 1.00 40.34 C ATOM 471 C LYS A 31 10.959 18.189 0.740 1.00 55.44 C ATOM 472 O LYS A 31 10.940 19.420 0.730 1.00 45.02 O ATOM 473 CB LYS A 31 12.079 17.101 2.712 1.00 2.23 C ATOM 474 CG LYS A 31 11.957 16.371 4.048 1.00 52.41 C ATOM 475 CD LYS A 31 11.148 17.175 5.069 1.00 54.22 C ATOM 476 CE LYS A 31 11.790 18.524 5.376 1.00 53.41 C ATOM 477 NZ LYS A 31 11.005 19.305 6.368 1.00 34.11 N ATOM 0 H LYS A 31 10.577 15.328 1.790 1.00 42.32 H new ATOM 0 HA LYS A 31 10.131 18.035 2.704 1.00 40.34 H new ATOM 0 HB2 LYS A 31 12.680 16.496 2.033 1.00 2.23 H new ATOM 0 HB3 LYS A 31 12.618 18.036 2.868 1.00 2.23 H new ATOM 0 HG2 LYS A 31 11.482 15.403 3.890 1.00 52.41 H new ATOM 0 HG3 LYS A 31 12.952 16.176 4.447 1.00 52.41 H new ATOM 0 HD2 LYS A 31 10.139 17.333 4.688 1.00 54.22 H new ATOM 0 HD3 LYS A 31 11.055 16.600 5.990 1.00 54.22 H new ATOM 0 HE2 LYS A 31 12.799 18.366 5.756 1.00 53.41 H new ATOM 0 HE3 LYS A 31 11.883 19.099 4.455 1.00 53.41 H new ATOM 0 HZ1 LYS A 31 11.478 20.214 6.547 1.00 34.11 H new ATOM 0 HZ2 LYS A 31 10.050 19.479 5.995 1.00 34.11 H new ATOM 0 HZ3 LYS A 31 10.938 18.769 7.257 1.00 34.11 H new ATOM 491 N LYS A 32 11.172 17.470 -0.358 1.00 15.22 N ATOM 492 CA LYS A 32 11.408 18.102 -1.665 1.00 51.53 C ATOM 493 C LYS A 32 10.940 17.196 -2.816 1.00 54.35 C ATOM 494 O LYS A 32 10.310 16.162 -2.587 1.00 43.13 O ATOM 495 CB LYS A 32 12.902 18.434 -1.840 1.00 10.32 C ATOM 496 CG LYS A 32 13.815 17.207 -1.816 1.00 10.10 C ATOM 497 CD LYS A 32 15.228 17.531 -2.298 1.00 54.21 C ATOM 498 CE LYS A 32 15.946 18.519 -1.387 1.00 20.34 C ATOM 499 NZ LYS A 32 16.205 17.952 -0.036 1.00 53.14 N ATOM 0 H LYS A 32 11.187 16.450 -0.375 1.00 15.22 H new ATOM 0 HA LYS A 32 10.828 19.024 -1.695 1.00 51.53 H new ATOM 0 HB2 LYS A 32 13.039 18.959 -2.785 1.00 10.32 H new ATOM 0 HB3 LYS A 32 13.208 19.118 -1.048 1.00 10.32 H new ATOM 0 HG2 LYS A 32 13.861 16.810 -0.802 1.00 10.10 H new ATOM 0 HG3 LYS A 32 13.388 16.426 -2.445 1.00 10.10 H new ATOM 0 HD2 LYS A 32 15.808 16.610 -2.357 1.00 54.21 H new ATOM 0 HD3 LYS A 32 15.179 17.942 -3.306 1.00 54.21 H new ATOM 0 HE2 LYS A 32 16.892 18.811 -1.844 1.00 20.34 H new ATOM 0 HE3 LYS A 32 15.346 19.424 -1.290 1.00 20.34 H new ATOM 0 HZ1 LYS A 32 16.797 18.611 0.509 1.00 53.14 H new ATOM 0 HZ2 LYS A 32 15.302 17.807 0.459 1.00 53.14 H new ATOM 0 HZ3 LYS A 32 16.698 17.041 -0.130 1.00 53.14 H new ATOM 513 N THR A 33 11.250 17.594 -4.050 1.00 54.41 N ATOM 514 CA THR A 33 10.926 16.783 -5.231 1.00 31.23 C ATOM 515 C THR A 33 11.592 15.405 -5.160 1.00 61.34 C ATOM 516 O THR A 33 12.817 15.292 -5.118 1.00 44.13 O ATOM 517 CB THR A 33 11.357 17.475 -6.548 1.00 31.21 C ATOM 518 OG1 THR A 33 10.601 18.679 -6.744 1.00 14.52 O ATOM 519 CG2 THR A 33 11.164 16.555 -7.753 1.00 73.12 C ATOM 0 H THR A 33 11.725 18.472 -4.261 1.00 54.41 H new ATOM 0 HA THR A 33 9.842 16.667 -5.231 1.00 31.23 H new ATOM 0 HB THR A 33 12.417 17.714 -6.463 1.00 31.21 H new ATOM 0 HG1 THR A 33 10.882 19.110 -7.578 1.00 14.52 H new ATOM 0 HG21 THR A 33 11.476 17.073 -8.660 1.00 73.12 H new ATOM 0 HG22 THR A 33 11.765 15.655 -7.624 1.00 73.12 H new ATOM 0 HG23 THR A 33 10.113 16.280 -7.836 1.00 73.12 H new ATOM 527 N ILE A 34 10.770 14.363 -5.142 1.00 72.01 N ATOM 528 CA ILE A 34 11.258 12.983 -5.114 1.00 40.42 C ATOM 529 C ILE A 34 11.850 12.581 -6.476 1.00 2.33 C ATOM 530 O ILE A 34 11.143 12.561 -7.485 1.00 62.40 O ATOM 531 CB ILE A 34 10.115 12.006 -4.735 1.00 3.33 C ATOM 532 CG1 ILE A 34 9.487 12.416 -3.390 1.00 0.34 C ATOM 533 CG2 ILE A 34 10.628 10.570 -4.677 1.00 35.54 C ATOM 534 CD1 ILE A 34 8.301 11.568 -2.980 1.00 71.02 C ATOM 0 H ILE A 34 9.753 14.445 -5.146 1.00 72.01 H new ATOM 0 HA ILE A 34 12.042 12.924 -4.359 1.00 40.42 H new ATOM 0 HB ILE A 34 9.346 12.058 -5.506 1.00 3.33 H new ATOM 0 HG12 ILE A 34 10.249 12.358 -2.612 1.00 0.34 H new ATOM 0 HG13 ILE A 34 9.172 13.458 -3.450 1.00 0.34 H new ATOM 0 HG21 ILE A 34 9.809 9.902 -4.409 1.00 35.54 H new ATOM 0 HG22 ILE A 34 11.025 10.286 -5.652 1.00 35.54 H new ATOM 0 HG23 ILE A 34 11.417 10.495 -3.928 1.00 35.54 H new ATOM 0 HD11 ILE A 34 7.916 11.920 -2.023 1.00 71.02 H new ATOM 0 HD12 ILE A 34 7.520 11.645 -3.736 1.00 71.02 H new ATOM 0 HD13 ILE A 34 8.613 10.528 -2.885 1.00 71.02 H new ATOM 546 N SER A 35 13.146 12.270 -6.497 1.00 65.20 N ATOM 547 CA SER A 35 13.839 11.914 -7.747 1.00 1.14 C ATOM 548 C SER A 35 13.267 10.630 -8.373 1.00 74.14 C ATOM 549 O SER A 35 13.051 10.561 -9.584 1.00 61.20 O ATOM 550 CB SER A 35 15.344 11.745 -7.500 1.00 14.21 C ATOM 551 OG SER A 35 15.916 12.927 -6.951 1.00 5.33 O ATOM 0 H SER A 35 13.740 12.256 -5.668 1.00 65.20 H new ATOM 0 HA SER A 35 13.678 12.732 -8.449 1.00 1.14 H new ATOM 0 HB2 SER A 35 15.511 10.909 -6.821 1.00 14.21 H new ATOM 0 HB3 SER A 35 15.843 11.499 -8.437 1.00 14.21 H new ATOM 0 HG SER A 35 16.875 12.788 -6.803 1.00 5.33 H new ATOM 557 N ASP A 36 13.031 9.615 -7.543 1.00 11.54 N ATOM 558 CA ASP A 36 12.446 8.349 -8.004 1.00 54.14 C ATOM 559 C ASP A 36 11.249 7.940 -7.118 1.00 14.20 C ATOM 560 O ASP A 36 11.422 7.330 -6.057 1.00 71.23 O ATOM 561 CB ASP A 36 13.511 7.242 -8.019 1.00 63.55 C ATOM 562 CG ASP A 36 12.984 5.936 -8.588 1.00 14.52 C ATOM 563 OD1 ASP A 36 12.719 5.878 -9.808 1.00 63.31 O ATOM 564 OD2 ASP A 36 12.832 4.963 -7.825 1.00 23.10 O ATOM 0 H ASP A 36 13.235 9.642 -6.544 1.00 11.54 H new ATOM 0 HA ASP A 36 12.080 8.492 -9.021 1.00 54.14 H new ATOM 0 HB2 ASP A 36 14.366 7.573 -8.609 1.00 63.55 H new ATOM 0 HB3 ASP A 36 13.870 7.074 -7.004 1.00 63.55 H new ATOM 569 N PRO A 37 10.016 8.304 -7.533 1.00 1.54 N ATOM 570 CA PRO A 37 8.786 8.002 -6.771 1.00 11.30 C ATOM 571 C PRO A 37 8.560 6.496 -6.534 1.00 70.35 C ATOM 572 O PRO A 37 8.069 6.099 -5.476 1.00 13.24 O ATOM 573 CB PRO A 37 7.662 8.597 -7.642 1.00 50.10 C ATOM 574 CG PRO A 37 8.266 8.777 -8.996 1.00 71.35 C ATOM 575 CD PRO A 37 9.722 9.063 -8.763 1.00 60.14 C ATOM 0 HA PRO A 37 8.833 8.421 -5.766 1.00 11.30 H new ATOM 0 HB2 PRO A 37 6.800 7.931 -7.681 1.00 50.10 H new ATOM 0 HB3 PRO A 37 7.312 9.547 -7.238 1.00 50.10 H new ATOM 0 HG2 PRO A 37 8.136 7.881 -9.604 1.00 71.35 H new ATOM 0 HG3 PRO A 37 7.788 9.597 -9.531 1.00 71.35 H new ATOM 0 HD2 PRO A 37 10.337 8.731 -9.599 1.00 60.14 H new ATOM 0 HD3 PRO A 37 9.908 10.129 -8.634 1.00 60.14 H new ATOM 583 N GLU A 38 8.922 5.667 -7.512 1.00 62.24 N ATOM 584 CA GLU A 38 8.765 4.209 -7.392 1.00 34.15 C ATOM 585 C GLU A 38 9.533 3.657 -6.175 1.00 71.32 C ATOM 586 O GLU A 38 8.968 2.947 -5.338 1.00 41.55 O ATOM 587 CB GLU A 38 9.235 3.517 -8.681 1.00 51.23 C ATOM 588 CG GLU A 38 8.375 3.848 -9.899 1.00 12.21 C ATOM 589 CD GLU A 38 8.929 3.271 -11.195 1.00 14.42 C ATOM 590 OE1 GLU A 38 9.750 3.950 -11.849 1.00 60.24 O ATOM 591 OE2 GLU A 38 8.551 2.139 -11.563 1.00 30.20 O ATOM 0 H GLU A 38 9.326 5.974 -8.397 1.00 62.24 H new ATOM 0 HA GLU A 38 7.707 3.997 -7.240 1.00 34.15 H new ATOM 0 HB2 GLU A 38 10.266 3.807 -8.884 1.00 51.23 H new ATOM 0 HB3 GLU A 38 9.232 2.438 -8.526 1.00 51.23 H new ATOM 0 HG2 GLU A 38 7.367 3.465 -9.739 1.00 12.21 H new ATOM 0 HG3 GLU A 38 8.294 4.931 -9.996 1.00 12.21 H new ATOM 598 N GLY A 39 10.818 3.995 -6.080 1.00 73.12 N ATOM 599 CA GLY A 39 11.624 3.577 -4.936 1.00 51.23 C ATOM 600 C GLY A 39 11.123 4.157 -3.615 1.00 35.32 C ATOM 601 O GLY A 39 11.196 3.505 -2.566 1.00 73.12 O ATOM 0 H GLY A 39 11.318 4.551 -6.774 1.00 73.12 H new ATOM 0 HA2 GLY A 39 11.621 2.489 -4.874 1.00 51.23 H new ATOM 0 HA3 GLY A 39 12.658 3.885 -5.094 1.00 51.23 H new ATOM 605 N PHE A 40 10.614 5.388 -3.661 1.00 33.14 N ATOM 606 CA PHE A 40 10.040 6.035 -2.475 1.00 73.20 C ATOM 607 C PHE A 40 8.832 5.251 -1.941 1.00 31.50 C ATOM 608 O PHE A 40 8.716 5.008 -0.739 1.00 51.13 O ATOM 609 CB PHE A 40 9.628 7.477 -2.802 1.00 44.53 C ATOM 610 CG PHE A 40 8.964 8.201 -1.652 1.00 70.11 C ATOM 611 CD1 PHE A 40 9.723 8.749 -0.625 1.00 35.44 C ATOM 612 CD2 PHE A 40 7.582 8.336 -1.600 1.00 35.12 C ATOM 613 CE1 PHE A 40 9.118 9.415 0.426 1.00 52.23 C ATOM 614 CE2 PHE A 40 6.973 9.000 -0.551 1.00 52.22 C ATOM 615 CZ PHE A 40 7.742 9.540 0.463 1.00 32.10 C ATOM 0 H PHE A 40 10.586 5.959 -4.505 1.00 33.14 H new ATOM 0 HA PHE A 40 10.805 6.049 -1.699 1.00 73.20 H new ATOM 0 HB2 PHE A 40 10.512 8.036 -3.109 1.00 44.53 H new ATOM 0 HB3 PHE A 40 8.947 7.466 -3.653 1.00 44.53 H new ATOM 0 HD1 PHE A 40 10.799 8.654 -0.648 1.00 35.44 H new ATOM 0 HD2 PHE A 40 6.976 7.917 -2.389 1.00 35.12 H new ATOM 0 HE1 PHE A 40 9.720 9.837 1.217 1.00 52.23 H new ATOM 0 HE2 PHE A 40 5.898 9.097 -0.524 1.00 52.22 H new ATOM 0 HZ PHE A 40 7.268 10.059 1.283 1.00 32.10 H new ATOM 625 N LEU A 41 7.931 4.861 -2.842 1.00 13.42 N ATOM 626 CA LEU A 41 6.744 4.084 -2.468 1.00 11.33 C ATOM 627 C LEU A 41 7.129 2.713 -1.885 1.00 10.23 C ATOM 628 O LEU A 41 6.556 2.268 -0.892 1.00 25.25 O ATOM 629 CB LEU A 41 5.833 3.898 -3.690 1.00 62.23 C ATOM 630 CG LEU A 41 5.257 5.193 -4.286 1.00 13.41 C ATOM 631 CD1 LEU A 41 4.490 4.906 -5.575 1.00 13.40 C ATOM 632 CD2 LEU A 41 4.363 5.899 -3.272 1.00 64.22 C ATOM 0 H LEU A 41 7.998 5.069 -3.838 1.00 13.42 H new ATOM 0 HA LEU A 41 6.209 4.638 -1.697 1.00 11.33 H new ATOM 0 HB2 LEU A 41 6.396 3.380 -4.466 1.00 62.23 H new ATOM 0 HB3 LEU A 41 5.005 3.248 -3.409 1.00 62.23 H new ATOM 0 HG LEU A 41 6.089 5.854 -4.529 1.00 13.41 H new ATOM 0 HD11 LEU A 41 4.092 5.838 -5.977 1.00 13.40 H new ATOM 0 HD12 LEU A 41 5.161 4.453 -6.305 1.00 13.40 H new ATOM 0 HD13 LEU A 41 3.668 4.222 -5.365 1.00 13.40 H new ATOM 0 HD21 LEU A 41 3.965 6.813 -3.712 1.00 64.22 H new ATOM 0 HD22 LEU A 41 3.539 5.242 -2.993 1.00 64.22 H new ATOM 0 HD23 LEU A 41 4.945 6.147 -2.385 1.00 64.22 H new ATOM 644 N GLN A 42 8.110 2.060 -2.504 1.00 10.40 N ATOM 645 CA GLN A 42 8.597 0.759 -2.031 1.00 54.41 C ATOM 646 C GLN A 42 9.058 0.838 -0.564 1.00 13.22 C ATOM 647 O GLN A 42 8.716 -0.020 0.252 1.00 51.53 O ATOM 648 CB GLN A 42 9.744 0.275 -2.942 1.00 11.42 C ATOM 649 CG GLN A 42 10.271 -1.130 -2.628 1.00 60.35 C ATOM 650 CD GLN A 42 11.246 -1.177 -1.457 1.00 42.43 C ATOM 651 OE1 GLN A 42 11.981 -0.227 -1.196 1.00 45.22 O ATOM 652 NE2 GLN A 42 11.259 -2.283 -0.738 1.00 10.00 N ATOM 0 H GLN A 42 8.586 2.408 -3.336 1.00 10.40 H new ATOM 0 HA GLN A 42 7.779 0.041 -2.077 1.00 54.41 H new ATOM 0 HB2 GLN A 42 9.400 0.295 -3.976 1.00 11.42 H new ATOM 0 HB3 GLN A 42 10.570 0.982 -2.867 1.00 11.42 H new ATOM 0 HG2 GLN A 42 9.426 -1.784 -2.411 1.00 60.35 H new ATOM 0 HG3 GLN A 42 10.764 -1.529 -3.515 1.00 60.35 H new ATOM 0 HE21 GLN A 42 10.637 -3.055 -0.979 1.00 10.00 H new ATOM 0 HE22 GLN A 42 11.891 -2.366 0.059 1.00 10.00 H new ATOM 661 N ALA A 43 9.829 1.873 -0.236 1.00 13.31 N ATOM 662 CA ALA A 43 10.343 2.055 1.127 1.00 1.31 C ATOM 663 C ALA A 43 9.248 2.508 2.111 1.00 60.43 C ATOM 664 O ALA A 43 9.197 2.045 3.253 1.00 1.30 O ATOM 665 CB ALA A 43 11.495 3.057 1.121 1.00 63.42 C ATOM 0 H ALA A 43 10.113 2.600 -0.893 1.00 13.31 H new ATOM 0 HA ALA A 43 10.703 1.085 1.471 1.00 1.31 H new ATOM 0 HB1 ALA A 43 11.870 3.186 2.136 1.00 63.42 H new ATOM 0 HB2 ALA A 43 12.297 2.686 0.482 1.00 63.42 H new ATOM 0 HB3 ALA A 43 11.142 4.015 0.740 1.00 63.42 H new ATOM 671 N SER A 44 8.367 3.402 1.660 1.00 52.42 N ATOM 672 CA SER A 44 7.335 3.990 2.535 1.00 70.44 C ATOM 673 C SER A 44 6.176 3.023 2.822 1.00 22.11 C ATOM 674 O SER A 44 5.525 3.124 3.861 1.00 20.22 O ATOM 675 CB SER A 44 6.785 5.284 1.919 1.00 32.20 C ATOM 676 OG SER A 44 6.238 5.053 0.632 1.00 44.42 O ATOM 0 H SER A 44 8.342 3.738 0.697 1.00 52.42 H new ATOM 0 HA SER A 44 7.821 4.208 3.486 1.00 70.44 H new ATOM 0 HB2 SER A 44 6.019 5.702 2.572 1.00 32.20 H new ATOM 0 HB3 SER A 44 7.583 6.023 1.849 1.00 32.20 H new ATOM 0 HG SER A 44 6.955 5.066 -0.035 1.00 44.42 H new ATOM 682 N LEU A 45 5.914 2.096 1.904 1.00 44.34 N ATOM 683 CA LEU A 45 4.844 1.102 2.087 1.00 41.32 C ATOM 684 C LEU A 45 5.386 -0.218 2.664 1.00 3.24 C ATOM 685 O LEU A 45 4.629 -1.157 2.920 1.00 52.45 O ATOM 686 CB LEU A 45 4.152 0.833 0.742 1.00 34.43 C ATOM 687 CG LEU A 45 3.525 2.064 0.067 1.00 12.44 C ATOM 688 CD1 LEU A 45 2.956 1.700 -1.303 1.00 53.31 C ATOM 689 CD2 LEU A 45 2.445 2.674 0.960 1.00 52.14 C ATOM 0 H LEU A 45 6.424 2.007 1.025 1.00 44.34 H new ATOM 0 HA LEU A 45 4.127 1.510 2.800 1.00 41.32 H new ATOM 0 HB2 LEU A 45 4.880 0.396 0.059 1.00 34.43 H new ATOM 0 HB3 LEU A 45 3.372 0.087 0.896 1.00 34.43 H new ATOM 0 HG LEU A 45 4.307 2.809 -0.080 1.00 12.44 H new ATOM 0 HD11 LEU A 45 2.518 2.586 -1.762 1.00 53.31 H new ATOM 0 HD12 LEU A 45 3.755 1.319 -1.939 1.00 53.31 H new ATOM 0 HD13 LEU A 45 2.189 0.934 -1.187 1.00 53.31 H new ATOM 0 HD21 LEU A 45 2.013 3.544 0.466 1.00 52.14 H new ATOM 0 HD22 LEU A 45 1.664 1.936 1.143 1.00 52.14 H new ATOM 0 HD23 LEU A 45 2.887 2.978 1.909 1.00 52.14 H new ATOM 701 N LYS A 46 6.697 -0.262 2.890 1.00 25.41 N ATOM 702 CA LYS A 46 7.398 -1.490 3.283 1.00 54.41 C ATOM 703 C LYS A 46 6.864 -2.096 4.599 1.00 1.03 C ATOM 704 O LYS A 46 6.753 -3.315 4.728 1.00 5.42 O ATOM 705 CB LYS A 46 8.898 -1.192 3.406 1.00 33.35 C ATOM 706 CG LYS A 46 9.770 -2.426 3.601 1.00 11.13 C ATOM 707 CD LYS A 46 11.251 -2.060 3.630 1.00 4.44 C ATOM 708 CE LYS A 46 12.141 -3.295 3.677 1.00 1.53 C ATOM 709 NZ LYS A 46 13.584 -2.943 3.580 1.00 54.35 N ATOM 0 H LYS A 46 7.307 0.551 2.807 1.00 25.41 H new ATOM 0 HA LYS A 46 7.218 -2.235 2.508 1.00 54.41 H new ATOM 0 HB2 LYS A 46 9.227 -0.668 2.509 1.00 33.35 H new ATOM 0 HB3 LYS A 46 9.054 -0.515 4.246 1.00 33.35 H new ATOM 0 HG2 LYS A 46 9.498 -2.923 4.532 1.00 11.13 H new ATOM 0 HG3 LYS A 46 9.584 -3.136 2.795 1.00 11.13 H new ATOM 0 HD2 LYS A 46 11.496 -1.469 2.747 1.00 4.44 H new ATOM 0 HD3 LYS A 46 11.453 -1.434 4.499 1.00 4.44 H new ATOM 0 HE2 LYS A 46 11.961 -3.837 4.605 1.00 1.53 H new ATOM 0 HE3 LYS A 46 11.875 -3.965 2.860 1.00 1.53 H new ATOM 0 HZ1 LYS A 46 14.156 -3.811 3.616 1.00 54.35 H new ATOM 0 HZ2 LYS A 46 13.761 -2.448 2.683 1.00 54.35 H new ATOM 0 HZ3 LYS A 46 13.844 -2.324 4.374 1.00 54.35 H new ATOM 723 N ASP A 47 6.539 -1.245 5.568 1.00 75.24 N ATOM 724 CA ASP A 47 6.047 -1.709 6.876 1.00 21.50 C ATOM 725 C ASP A 47 4.637 -2.320 6.793 1.00 43.25 C ATOM 726 O ASP A 47 4.223 -3.072 7.680 1.00 10.23 O ATOM 727 CB ASP A 47 6.059 -0.554 7.883 1.00 71.22 C ATOM 728 CG ASP A 47 5.387 0.697 7.342 1.00 44.31 C ATOM 729 OD1 ASP A 47 4.143 0.716 7.230 1.00 33.13 O ATOM 730 OD2 ASP A 47 6.108 1.660 7.015 1.00 24.24 O ATOM 0 H ASP A 47 6.605 -0.231 5.479 1.00 75.24 H new ATOM 0 HA ASP A 47 6.721 -2.498 7.211 1.00 21.50 H new ATOM 0 HB2 ASP A 47 5.554 -0.868 8.797 1.00 71.22 H new ATOM 0 HB3 ASP A 47 7.089 -0.322 8.152 1.00 71.22 H new ATOM 735 N GLY A 48 3.899 -1.979 5.741 1.00 13.11 N ATOM 736 CA GLY A 48 2.538 -2.484 5.580 1.00 22.31 C ATOM 737 C GLY A 48 1.495 -1.698 6.381 1.00 54.03 C ATOM 738 O GLY A 48 0.305 -1.726 6.055 1.00 54.10 O ATOM 0 H GLY A 48 4.216 -1.361 4.994 1.00 13.11 H new ATOM 0 HA2 GLY A 48 2.271 -2.455 4.524 1.00 22.31 H new ATOM 0 HA3 GLY A 48 2.508 -3.529 5.887 1.00 22.31 H new ATOM 742 N VAL A 49 1.938 -0.993 7.424 1.00 42.54 N ATOM 743 CA VAL A 49 1.039 -0.193 8.264 1.00 71.32 C ATOM 744 C VAL A 49 0.378 0.920 7.440 1.00 41.34 C ATOM 745 O VAL A 49 -0.835 1.147 7.533 1.00 35.33 O ATOM 746 CB VAL A 49 1.796 0.434 9.466 1.00 1.03 C ATOM 747 CG1 VAL A 49 0.836 1.194 10.380 1.00 63.03 C ATOM 748 CG2 VAL A 49 2.559 -0.640 10.246 1.00 3.32 C ATOM 0 H VAL A 49 2.917 -0.959 7.709 1.00 42.54 H new ATOM 0 HA VAL A 49 0.271 -0.863 8.649 1.00 71.32 H new ATOM 0 HB VAL A 49 2.521 1.148 9.074 1.00 1.03 H new ATOM 0 HG11 VAL A 49 1.391 1.624 11.214 1.00 63.03 H new ATOM 0 HG12 VAL A 49 0.352 1.992 9.817 1.00 63.03 H new ATOM 0 HG13 VAL A 49 0.079 0.509 10.762 1.00 63.03 H new ATOM 0 HG21 VAL A 49 3.082 -0.179 11.084 1.00 3.32 H new ATOM 0 HG22 VAL A 49 1.857 -1.384 10.622 1.00 3.32 H new ATOM 0 HG23 VAL A 49 3.282 -1.123 9.588 1.00 3.32 H new ATOM 758 N VAL A 50 1.180 1.604 6.623 1.00 20.04 N ATOM 759 CA VAL A 50 0.659 2.632 5.713 1.00 62.12 C ATOM 760 C VAL A 50 -0.363 2.028 4.730 1.00 11.52 C ATOM 761 O VAL A 50 -1.388 2.644 4.428 1.00 43.41 O ATOM 762 CB VAL A 50 1.794 3.327 4.913 1.00 14.53 C ATOM 763 CG1 VAL A 50 1.227 4.411 3.993 1.00 15.23 C ATOM 764 CG2 VAL A 50 2.844 3.916 5.859 1.00 72.33 C ATOM 0 H VAL A 50 2.189 1.468 6.571 1.00 20.04 H new ATOM 0 HA VAL A 50 0.167 3.381 6.333 1.00 62.12 H new ATOM 0 HB VAL A 50 2.279 2.574 4.292 1.00 14.53 H new ATOM 0 HG11 VAL A 50 2.041 4.884 3.443 1.00 15.23 H new ATOM 0 HG12 VAL A 50 0.527 3.961 3.289 1.00 15.23 H new ATOM 0 HG13 VAL A 50 0.709 5.161 4.591 1.00 15.23 H new ATOM 0 HG21 VAL A 50 3.629 4.398 5.276 1.00 72.33 H new ATOM 0 HG22 VAL A 50 2.374 4.651 6.512 1.00 72.33 H new ATOM 0 HG23 VAL A 50 3.278 3.119 6.463 1.00 72.33 H new ATOM 774 N LEU A 51 -0.083 0.813 4.248 1.00 32.53 N ATOM 775 CA LEU A 51 -1.004 0.097 3.352 1.00 34.44 C ATOM 776 C LEU A 51 -2.356 -0.170 4.033 1.00 3.43 C ATOM 777 O LEU A 51 -3.413 0.037 3.438 1.00 63.51 O ATOM 778 CB LEU A 51 -0.391 -1.238 2.898 1.00 63.42 C ATOM 779 CG LEU A 51 0.812 -1.131 1.948 1.00 10.42 C ATOM 780 CD1 LEU A 51 1.398 -2.513 1.669 1.00 74.32 C ATOM 781 CD2 LEU A 51 0.409 -0.446 0.642 1.00 51.34 C ATOM 0 H LEU A 51 0.774 0.302 4.462 1.00 32.53 H new ATOM 0 HA LEU A 51 -1.171 0.734 2.483 1.00 34.44 H new ATOM 0 HB2 LEU A 51 -0.083 -1.795 3.783 1.00 63.42 H new ATOM 0 HB3 LEU A 51 -1.167 -1.825 2.407 1.00 63.42 H new ATOM 0 HG LEU A 51 1.577 -0.523 2.431 1.00 10.42 H new ATOM 0 HD11 LEU A 51 2.249 -2.418 0.994 1.00 74.32 H new ATOM 0 HD12 LEU A 51 1.726 -2.965 2.605 1.00 74.32 H new ATOM 0 HD13 LEU A 51 0.638 -3.144 1.208 1.00 74.32 H new ATOM 0 HD21 LEU A 51 1.275 -0.380 -0.017 1.00 51.34 H new ATOM 0 HD22 LEU A 51 -0.375 -1.025 0.154 1.00 51.34 H new ATOM 0 HD23 LEU A 51 0.039 0.557 0.856 1.00 51.34 H new ATOM 793 N CYS A 52 -2.313 -0.639 5.279 1.00 2.50 N ATOM 794 CA CYS A 52 -3.535 -0.900 6.048 1.00 30.22 C ATOM 795 C CYS A 52 -4.396 0.367 6.160 1.00 24.32 C ATOM 796 O CYS A 52 -5.581 0.359 5.823 1.00 61.22 O ATOM 797 CB CYS A 52 -3.188 -1.427 7.446 1.00 41.53 C ATOM 798 SG CYS A 52 -2.297 -3.002 7.440 1.00 31.11 S ATOM 0 H CYS A 52 -1.449 -0.847 5.779 1.00 2.50 H new ATOM 0 HA CYS A 52 -4.109 -1.660 5.518 1.00 30.22 H new ATOM 0 HB2 CYS A 52 -2.584 -0.682 7.964 1.00 41.53 H new ATOM 0 HB3 CYS A 52 -4.109 -1.545 8.017 1.00 41.53 H new ATOM 0 HG CYS A 52 -1.123 -2.834 6.908 1.00 31.11 H new ATOM 804 N ARG A 53 -3.779 1.461 6.608 1.00 33.14 N ATOM 805 CA ARG A 53 -4.473 2.750 6.730 1.00 1.35 C ATOM 806 C ARG A 53 -5.008 3.226 5.367 1.00 24.42 C ATOM 807 O ARG A 53 -6.089 3.817 5.283 1.00 32.42 O ATOM 808 CB ARG A 53 -3.531 3.801 7.330 1.00 5.25 C ATOM 809 CG ARG A 53 -3.020 3.434 8.720 1.00 13.31 C ATOM 810 CD ARG A 53 -2.069 4.488 9.272 1.00 2.31 C ATOM 811 NE ARG A 53 -1.584 4.142 10.606 1.00 64.01 N ATOM 812 CZ ARG A 53 -0.726 4.854 11.286 1.00 75.41 C ATOM 813 NH1 ARG A 53 -0.260 5.965 10.811 1.00 11.15 N ATOM 814 NH2 ARG A 53 -0.346 4.458 12.451 1.00 71.54 N ATOM 0 H ARG A 53 -2.800 1.483 6.893 1.00 33.14 H new ATOM 0 HA ARG A 53 -5.326 2.615 7.396 1.00 1.35 H new ATOM 0 HB2 ARG A 53 -2.680 3.939 6.663 1.00 5.25 H new ATOM 0 HB3 ARG A 53 -4.052 4.757 7.383 1.00 5.25 H new ATOM 0 HG2 ARG A 53 -3.865 3.317 9.398 1.00 13.31 H new ATOM 0 HG3 ARG A 53 -2.510 2.472 8.677 1.00 13.31 H new ATOM 0 HD2 ARG A 53 -1.221 4.601 8.596 1.00 2.31 H new ATOM 0 HD3 ARG A 53 -2.578 5.451 9.310 1.00 2.31 H new ATOM 0 HE ARG A 53 -1.939 3.287 11.035 1.00 64.01 H new ATOM 0 HH11 ARG A 53 -0.563 6.294 9.894 1.00 11.15 H new ATOM 0 HH12 ARG A 53 0.410 6.511 11.354 1.00 11.15 H new ATOM 0 HH21 ARG A 53 -0.715 3.590 12.840 1.00 71.54 H new ATOM 0 HH22 ARG A 53 0.324 5.012 12.984 1.00 71.54 H new ATOM 828 N LEU A 54 -4.235 2.969 4.309 1.00 42.41 N ATOM 829 CA LEU A 54 -4.665 3.249 2.934 1.00 11.32 C ATOM 830 C LEU A 54 -6.006 2.570 2.633 1.00 30.53 C ATOM 831 O LEU A 54 -6.974 3.222 2.229 1.00 51.15 O ATOM 832 CB LEU A 54 -3.591 2.765 1.943 1.00 41.13 C ATOM 833 CG LEU A 54 -3.987 2.795 0.457 1.00 22.52 C ATOM 834 CD1 LEU A 54 -4.304 4.216 0.005 1.00 24.00 C ATOM 835 CD2 LEU A 54 -2.887 2.178 -0.404 1.00 32.43 C ATOM 0 H LEU A 54 -3.301 2.565 4.378 1.00 42.41 H new ATOM 0 HA LEU A 54 -4.797 4.325 2.824 1.00 11.32 H new ATOM 0 HB2 LEU A 54 -2.700 3.379 2.074 1.00 41.13 H new ATOM 0 HB3 LEU A 54 -3.316 1.743 2.205 1.00 41.13 H new ATOM 0 HG LEU A 54 -4.891 2.198 0.333 1.00 22.52 H new ATOM 0 HD11 LEU A 54 -4.581 4.209 -1.049 1.00 24.00 H new ATOM 0 HD12 LEU A 54 -5.132 4.609 0.595 1.00 24.00 H new ATOM 0 HD13 LEU A 54 -3.426 4.847 0.145 1.00 24.00 H new ATOM 0 HD21 LEU A 54 -3.185 2.208 -1.452 1.00 32.43 H new ATOM 0 HD22 LEU A 54 -1.963 2.742 -0.273 1.00 32.43 H new ATOM 0 HD23 LEU A 54 -2.726 1.143 -0.102 1.00 32.43 H new ATOM 847 N LEU A 55 -6.060 1.261 2.857 1.00 2.23 N ATOM 848 CA LEU A 55 -7.278 0.488 2.622 1.00 52.21 C ATOM 849 C LEU A 55 -8.430 0.980 3.515 1.00 23.11 C ATOM 850 O LEU A 55 -9.589 0.961 3.107 1.00 14.35 O ATOM 851 CB LEU A 55 -7.009 -1.006 2.864 1.00 71.54 C ATOM 852 CG LEU A 55 -8.163 -1.956 2.497 1.00 12.01 C ATOM 853 CD1 LEU A 55 -8.554 -1.797 1.029 1.00 42.11 C ATOM 854 CD2 LEU A 55 -7.785 -3.404 2.800 1.00 4.21 C ATOM 0 H LEU A 55 -5.273 0.711 3.202 1.00 2.23 H new ATOM 0 HA LEU A 55 -7.578 0.630 1.584 1.00 52.21 H new ATOM 0 HB2 LEU A 55 -6.127 -1.296 2.292 1.00 71.54 H new ATOM 0 HB3 LEU A 55 -6.766 -1.147 3.917 1.00 71.54 H new ATOM 0 HG LEU A 55 -9.026 -1.692 3.107 1.00 12.01 H new ATOM 0 HD11 LEU A 55 -9.371 -2.479 0.794 1.00 42.11 H new ATOM 0 HD12 LEU A 55 -8.874 -0.771 0.847 1.00 42.11 H new ATOM 0 HD13 LEU A 55 -7.696 -2.028 0.397 1.00 42.11 H new ATOM 0 HD21 LEU A 55 -8.614 -4.060 2.534 1.00 4.21 H new ATOM 0 HD22 LEU A 55 -6.904 -3.679 2.220 1.00 4.21 H new ATOM 0 HD23 LEU A 55 -7.567 -3.508 3.863 1.00 4.21 H new ATOM 866 N GLU A 56 -8.107 1.435 4.725 1.00 64.11 N ATOM 867 CA GLU A 56 -9.124 1.955 5.652 1.00 35.32 C ATOM 868 C GLU A 56 -9.708 3.304 5.182 1.00 33.11 C ATOM 869 O GLU A 56 -10.834 3.656 5.534 1.00 51.34 O ATOM 870 CB GLU A 56 -8.539 2.101 7.062 1.00 31.33 C ATOM 871 CG GLU A 56 -8.090 0.785 7.687 1.00 72.32 C ATOM 872 CD GLU A 56 -7.631 0.949 9.125 1.00 74.41 C ATOM 873 OE1 GLU A 56 -8.489 0.887 10.033 1.00 64.53 O ATOM 874 OE2 GLU A 56 -6.420 1.152 9.357 1.00 51.55 O ATOM 0 H GLU A 56 -7.155 1.456 5.090 1.00 64.11 H new ATOM 0 HA GLU A 56 -9.939 1.232 5.670 1.00 35.32 H new ATOM 0 HB2 GLU A 56 -7.688 2.781 7.023 1.00 31.33 H new ATOM 0 HB3 GLU A 56 -9.286 2.562 7.708 1.00 31.33 H new ATOM 0 HG2 GLU A 56 -8.912 0.071 7.651 1.00 72.32 H new ATOM 0 HG3 GLU A 56 -7.277 0.365 7.095 1.00 72.32 H new ATOM 881 N ARG A 57 -8.935 4.063 4.401 1.00 21.23 N ATOM 882 CA ARG A 57 -9.424 5.326 3.823 1.00 23.53 C ATOM 883 C ARG A 57 -10.332 5.082 2.607 1.00 43.02 C ATOM 884 O ARG A 57 -10.973 6.005 2.100 1.00 21.45 O ATOM 885 CB ARG A 57 -8.246 6.224 3.415 1.00 12.31 C ATOM 886 CG ARG A 57 -7.530 6.884 4.590 1.00 44.15 C ATOM 887 CD ARG A 57 -8.468 7.778 5.396 1.00 35.44 C ATOM 888 NE ARG A 57 -9.180 8.735 4.549 1.00 63.14 N ATOM 889 CZ ARG A 57 -9.780 9.802 4.995 1.00 44.54 C ATOM 890 NH1 ARG A 57 -9.757 10.098 6.254 1.00 45.11 N ATOM 891 NH2 ARG A 57 -10.411 10.571 4.174 1.00 12.40 N ATOM 0 H ARG A 57 -7.973 3.831 4.153 1.00 21.23 H new ATOM 0 HA ARG A 57 -10.012 5.826 4.592 1.00 23.53 H new ATOM 0 HB2 ARG A 57 -7.527 5.628 2.853 1.00 12.31 H new ATOM 0 HB3 ARG A 57 -8.611 7.001 2.743 1.00 12.31 H new ATOM 0 HG2 ARG A 57 -7.113 6.115 5.240 1.00 44.15 H new ATOM 0 HG3 ARG A 57 -6.693 7.476 4.220 1.00 44.15 H new ATOM 0 HD2 ARG A 57 -9.190 7.159 5.928 1.00 35.44 H new ATOM 0 HD3 ARG A 57 -7.895 8.318 6.149 1.00 35.44 H new ATOM 0 HE ARG A 57 -9.208 8.555 3.545 1.00 63.14 H new ATOM 0 HH11 ARG A 57 -9.265 9.493 6.911 1.00 45.11 H new ATOM 0 HH12 ARG A 57 -10.231 10.937 6.589 1.00 45.11 H new ATOM 0 HH21 ARG A 57 -10.439 10.343 3.180 1.00 12.40 H new ATOM 0 HH22 ARG A 57 -10.882 11.407 4.518 1.00 12.40 H new ATOM 905 N LEU A 58 -10.364 3.837 2.142 1.00 10.55 N ATOM 906 CA LEU A 58 -11.171 3.448 0.981 1.00 21.44 C ATOM 907 C LEU A 58 -12.321 2.515 1.402 1.00 54.35 C ATOM 908 O LEU A 58 -13.497 2.831 1.220 1.00 52.43 O ATOM 909 CB LEU A 58 -10.264 2.755 -0.043 1.00 11.51 C ATOM 910 CG LEU A 58 -8.983 3.536 -0.399 1.00 4.24 C ATOM 911 CD1 LEU A 58 -8.072 2.708 -1.295 1.00 33.13 C ATOM 912 CD2 LEU A 58 -9.325 4.870 -1.058 1.00 53.15 C ATOM 0 H LEU A 58 -9.835 3.069 2.555 1.00 10.55 H new ATOM 0 HA LEU A 58 -11.614 4.338 0.535 1.00 21.44 H new ATOM 0 HB2 LEU A 58 -9.981 1.777 0.345 1.00 11.51 H new ATOM 0 HB3 LEU A 58 -10.834 2.583 -0.956 1.00 11.51 H new ATOM 0 HG LEU A 58 -8.447 3.743 0.527 1.00 4.24 H new ATOM 0 HD11 LEU A 58 -7.176 3.281 -1.532 1.00 33.13 H new ATOM 0 HD12 LEU A 58 -7.790 1.790 -0.779 1.00 33.13 H new ATOM 0 HD13 LEU A 58 -8.597 2.459 -2.217 1.00 33.13 H new ATOM 0 HD21 LEU A 58 -8.405 5.403 -1.300 1.00 53.15 H new ATOM 0 HD22 LEU A 58 -9.891 4.690 -1.972 1.00 53.15 H new ATOM 0 HD23 LEU A 58 -9.923 5.471 -0.373 1.00 53.15 H new ATOM 924 N LEU A 59 -11.961 1.358 1.956 1.00 12.22 N ATOM 925 CA LEU A 59 -12.928 0.406 2.510 1.00 42.11 C ATOM 926 C LEU A 59 -12.831 0.378 4.052 1.00 1.11 C ATOM 927 O LEU A 59 -12.030 -0.371 4.620 1.00 34.30 O ATOM 928 CB LEU A 59 -12.671 -0.999 1.939 1.00 71.24 C ATOM 929 CG LEU A 59 -12.806 -1.135 0.413 1.00 64.52 C ATOM 930 CD1 LEU A 59 -12.327 -2.512 -0.047 1.00 43.24 C ATOM 931 CD2 LEU A 59 -14.251 -0.898 -0.026 1.00 51.04 C ATOM 0 H LEU A 59 -10.991 1.052 2.034 1.00 12.22 H new ATOM 0 HA LEU A 59 -13.932 0.724 2.229 1.00 42.11 H new ATOM 0 HB2 LEU A 59 -11.666 -1.309 2.225 1.00 71.24 H new ATOM 0 HB3 LEU A 59 -13.365 -1.695 2.410 1.00 71.24 H new ATOM 0 HG LEU A 59 -12.178 -0.376 -0.054 1.00 64.52 H new ATOM 0 HD11 LEU A 59 -12.430 -2.590 -1.129 1.00 43.24 H new ATOM 0 HD12 LEU A 59 -11.281 -2.644 0.229 1.00 43.24 H new ATOM 0 HD13 LEU A 59 -12.928 -3.285 0.431 1.00 43.24 H new ATOM 0 HD21 LEU A 59 -14.324 -0.999 -1.109 1.00 51.04 H new ATOM 0 HD22 LEU A 59 -14.901 -1.631 0.451 1.00 51.04 H new ATOM 0 HD23 LEU A 59 -14.560 0.106 0.266 1.00 51.04 H new ATOM 943 N PRO A 60 -13.635 1.207 4.747 1.00 21.25 N ATOM 944 CA PRO A 60 -13.584 1.335 6.221 1.00 2.33 C ATOM 945 C PRO A 60 -13.773 0.003 6.978 1.00 51.45 C ATOM 946 O PRO A 60 -14.715 -0.753 6.721 1.00 55.25 O ATOM 947 CB PRO A 60 -14.745 2.292 6.536 1.00 21.24 C ATOM 948 CG PRO A 60 -14.965 3.055 5.273 1.00 5.14 C ATOM 949 CD PRO A 60 -14.652 2.098 4.154 1.00 22.12 C ATOM 0 HA PRO A 60 -12.604 1.686 6.544 1.00 2.33 H new ATOM 0 HB2 PRO A 60 -15.641 1.744 6.828 1.00 21.24 H new ATOM 0 HB3 PRO A 60 -14.495 2.958 7.362 1.00 21.24 H new ATOM 0 HG2 PRO A 60 -15.993 3.412 5.206 1.00 5.14 H new ATOM 0 HG3 PRO A 60 -14.320 3.932 5.229 1.00 5.14 H new ATOM 0 HD2 PRO A 60 -15.537 1.545 3.838 1.00 22.12 H new ATOM 0 HD3 PRO A 60 -14.269 2.617 3.275 1.00 22.12 H new ATOM 957 N GLY A 61 -12.869 -0.272 7.920 1.00 43.51 N ATOM 958 CA GLY A 61 -12.997 -1.440 8.792 1.00 20.43 C ATOM 959 C GLY A 61 -12.684 -2.774 8.116 1.00 54.53 C ATOM 960 O GLY A 61 -13.104 -3.829 8.593 1.00 21.11 O ATOM 0 H GLY A 61 -12.042 0.297 8.098 1.00 43.51 H new ATOM 0 HA2 GLY A 61 -12.331 -1.315 9.646 1.00 20.43 H new ATOM 0 HA3 GLY A 61 -14.014 -1.475 9.184 1.00 20.43 H new ATOM 964 N THR A 62 -11.953 -2.743 7.006 1.00 13.32 N ATOM 965 CA THR A 62 -11.570 -3.983 6.303 1.00 74.12 C ATOM 966 C THR A 62 -10.337 -4.642 6.942 1.00 33.20 C ATOM 967 O THR A 62 -10.147 -5.856 6.847 1.00 30.01 O ATOM 968 CB THR A 62 -11.298 -3.719 4.804 1.00 5.11 C ATOM 969 OG1 THR A 62 -12.446 -3.098 4.212 1.00 72.54 O ATOM 970 CG2 THR A 62 -10.978 -5.009 4.049 1.00 74.24 C ATOM 0 H THR A 62 -11.612 -1.886 6.570 1.00 13.32 H new ATOM 0 HA THR A 62 -12.414 -4.667 6.394 1.00 74.12 H new ATOM 0 HB THR A 62 -10.431 -3.062 4.733 1.00 5.11 H new ATOM 0 HG1 THR A 62 -12.405 -2.129 4.356 1.00 72.54 H new ATOM 0 HG21 THR A 62 -10.793 -4.780 2.999 1.00 74.24 H new ATOM 0 HG22 THR A 62 -10.091 -5.473 4.481 1.00 74.24 H new ATOM 0 HG23 THR A 62 -11.821 -5.695 4.128 1.00 74.24 H new ATOM 978 N ILE A 63 -9.508 -3.837 7.599 1.00 64.32 N ATOM 979 CA ILE A 63 -8.317 -4.343 8.290 1.00 53.53 C ATOM 980 C ILE A 63 -8.692 -4.942 9.659 1.00 33.14 C ATOM 981 O ILE A 63 -9.159 -4.233 10.554 1.00 44.23 O ATOM 982 CB ILE A 63 -7.264 -3.218 8.485 1.00 21.12 C ATOM 983 CG1 ILE A 63 -6.869 -2.609 7.127 1.00 50.03 C ATOM 984 CG2 ILE A 63 -6.029 -3.744 9.221 1.00 64.41 C ATOM 985 CD1 ILE A 63 -6.216 -3.589 6.173 1.00 74.55 C ATOM 0 H ILE A 63 -9.636 -2.828 7.670 1.00 64.32 H new ATOM 0 HA ILE A 63 -7.884 -5.125 7.666 1.00 53.53 H new ATOM 0 HB ILE A 63 -7.712 -2.436 9.098 1.00 21.12 H new ATOM 0 HG12 ILE A 63 -7.760 -2.197 6.653 1.00 50.03 H new ATOM 0 HG13 ILE A 63 -6.186 -1.777 7.299 1.00 50.03 H new ATOM 0 HG21 ILE A 63 -5.308 -2.936 9.344 1.00 64.41 H new ATOM 0 HG22 ILE A 63 -6.322 -4.121 10.201 1.00 64.41 H new ATOM 0 HG23 ILE A 63 -5.576 -4.549 8.643 1.00 64.41 H new ATOM 0 HD11 ILE A 63 -5.969 -3.080 5.241 1.00 74.55 H new ATOM 0 HD12 ILE A 63 -5.305 -3.983 6.623 1.00 74.55 H new ATOM 0 HD13 ILE A 63 -6.903 -4.409 5.967 1.00 74.55 H new ATOM 997 N GLU A 64 -8.497 -6.252 9.808 1.00 31.33 N ATOM 998 CA GLU A 64 -8.826 -6.948 11.057 1.00 21.41 C ATOM 999 C GLU A 64 -7.689 -6.831 12.086 1.00 55.12 C ATOM 1000 O GLU A 64 -7.926 -6.534 13.258 1.00 15.21 O ATOM 1001 CB GLU A 64 -9.125 -8.426 10.768 1.00 10.32 C ATOM 1002 CG GLU A 64 -9.470 -9.244 12.008 1.00 63.33 C ATOM 1003 CD GLU A 64 -9.676 -10.716 11.695 1.00 31.53 C ATOM 1004 OE1 GLU A 64 -8.669 -11.452 11.593 1.00 71.31 O ATOM 1005 OE2 GLU A 64 -10.839 -11.145 11.547 1.00 74.32 O ATOM 0 H GLU A 64 -8.113 -6.855 9.080 1.00 31.33 H new ATOM 0 HA GLU A 64 -9.710 -6.474 11.483 1.00 21.41 H new ATOM 0 HB2 GLU A 64 -9.954 -8.487 10.063 1.00 10.32 H new ATOM 0 HB3 GLU A 64 -8.258 -8.873 10.280 1.00 10.32 H new ATOM 0 HG2 GLU A 64 -8.671 -9.140 12.742 1.00 63.33 H new ATOM 0 HG3 GLU A 64 -10.375 -8.843 12.464 1.00 63.33 H new ATOM 1012 N LYS A 65 -6.453 -7.073 11.645 1.00 33.41 N ATOM 1013 CA LYS A 65 -5.289 -6.964 12.534 1.00 4.54 C ATOM 1014 C LYS A 65 -4.091 -6.292 11.847 1.00 4.23 C ATOM 1015 O LYS A 65 -3.490 -6.847 10.925 1.00 74.44 O ATOM 1016 CB LYS A 65 -4.868 -8.346 13.060 1.00 75.33 C ATOM 1017 CG LYS A 65 -3.624 -8.310 13.952 1.00 3.02 C ATOM 1018 CD LYS A 65 -3.828 -7.419 15.177 1.00 71.52 C ATOM 1019 CE LYS A 65 -2.543 -7.213 15.970 1.00 31.13 C ATOM 1020 NZ LYS A 65 -2.759 -6.328 17.144 1.00 21.50 N ATOM 0 H LYS A 65 -6.231 -7.344 10.687 1.00 33.41 H new ATOM 0 HA LYS A 65 -5.596 -6.335 13.369 1.00 4.54 H new ATOM 0 HB2 LYS A 65 -5.695 -8.779 13.622 1.00 75.33 H new ATOM 0 HB3 LYS A 65 -4.678 -9.005 12.213 1.00 75.33 H new ATOM 0 HG2 LYS A 65 -3.380 -9.322 14.275 1.00 3.02 H new ATOM 0 HG3 LYS A 65 -2.774 -7.946 13.375 1.00 3.02 H new ATOM 0 HD2 LYS A 65 -4.213 -6.451 14.858 1.00 71.52 H new ATOM 0 HD3 LYS A 65 -4.583 -7.865 15.825 1.00 71.52 H new ATOM 0 HE2 LYS A 65 -2.164 -8.178 16.306 1.00 31.13 H new ATOM 0 HE3 LYS A 65 -1.781 -6.779 15.322 1.00 31.13 H new ATOM 0 HZ1 LYS A 65 -1.863 -6.210 17.660 1.00 21.50 H new ATOM 0 HZ2 LYS A 65 -3.097 -5.399 16.821 1.00 21.50 H new ATOM 0 HZ3 LYS A 65 -3.468 -6.754 17.774 1.00 21.50 H new ATOM 1034 N VAL A 66 -3.747 -5.095 12.315 1.00 32.12 N ATOM 1035 CA VAL A 66 -2.525 -4.408 11.886 1.00 54.11 C ATOM 1036 C VAL A 66 -1.544 -4.283 13.060 1.00 72.15 C ATOM 1037 O VAL A 66 -1.958 -4.135 14.211 1.00 24.41 O ATOM 1038 CB VAL A 66 -2.830 -2.995 11.318 1.00 74.51 C ATOM 1039 CG1 VAL A 66 -3.438 -2.091 12.389 1.00 12.41 C ATOM 1040 CG2 VAL A 66 -1.570 -2.361 10.717 1.00 21.40 C ATOM 0 H VAL A 66 -4.300 -4.575 12.996 1.00 32.12 H new ATOM 0 HA VAL A 66 -2.077 -5.007 11.093 1.00 54.11 H new ATOM 0 HB VAL A 66 -3.564 -3.108 10.520 1.00 74.51 H new ATOM 0 HG11 VAL A 66 -3.641 -1.108 11.963 1.00 12.41 H new ATOM 0 HG12 VAL A 66 -4.368 -2.530 12.750 1.00 12.41 H new ATOM 0 HG13 VAL A 66 -2.739 -1.989 13.219 1.00 12.41 H new ATOM 0 HG21 VAL A 66 -1.811 -1.372 10.326 1.00 21.40 H new ATOM 0 HG22 VAL A 66 -0.805 -2.270 11.488 1.00 21.40 H new ATOM 0 HG23 VAL A 66 -1.197 -2.989 9.908 1.00 21.40 H new ATOM 1050 N TYR A 67 -0.251 -4.363 12.770 1.00 2.12 N ATOM 1051 CA TYR A 67 0.787 -4.206 13.795 1.00 41.14 C ATOM 1052 C TYR A 67 1.474 -2.839 13.665 1.00 11.53 C ATOM 1053 O TYR A 67 2.363 -2.664 12.828 1.00 53.05 O ATOM 1054 CB TYR A 67 1.827 -5.331 13.678 1.00 74.44 C ATOM 1055 CG TYR A 67 1.225 -6.724 13.758 1.00 34.21 C ATOM 1056 CD1 TYR A 67 0.771 -7.371 12.613 1.00 41.32 C ATOM 1057 CD2 TYR A 67 1.105 -7.388 14.975 1.00 23.41 C ATOM 1058 CE1 TYR A 67 0.214 -8.632 12.679 1.00 24.51 C ATOM 1059 CE2 TYR A 67 0.550 -8.653 15.046 1.00 12.30 C ATOM 1060 CZ TYR A 67 0.105 -9.269 13.895 1.00 43.44 C ATOM 1061 OH TYR A 67 -0.452 -10.528 13.959 1.00 12.43 O ATOM 0 H TYR A 67 0.110 -4.536 11.832 1.00 2.12 H new ATOM 0 HA TYR A 67 0.312 -4.264 14.774 1.00 41.14 H new ATOM 0 HB2 TYR A 67 2.358 -5.227 12.732 1.00 74.44 H new ATOM 0 HB3 TYR A 67 2.565 -5.217 14.472 1.00 74.44 H new ATOM 0 HD1 TYR A 67 0.856 -6.878 11.656 1.00 41.32 H new ATOM 0 HD2 TYR A 67 1.451 -6.908 15.879 1.00 23.41 H new ATOM 0 HE1 TYR A 67 -0.135 -9.118 11.780 1.00 24.51 H new ATOM 0 HE2 TYR A 67 0.466 -9.156 15.998 1.00 12.30 H new ATOM 0 HH TYR A 67 -0.454 -10.838 14.889 1.00 12.43 H new ATOM 1071 N PRO A 68 1.060 -1.841 14.480 1.00 33.51 N ATOM 1072 CA PRO A 68 1.659 -0.495 14.450 1.00 4.24 C ATOM 1073 C PRO A 68 3.159 -0.516 14.790 1.00 4.32 C ATOM 1074 O PRO A 68 3.921 0.349 14.356 1.00 14.45 O ATOM 1075 CB PRO A 68 0.863 0.288 15.511 1.00 63.15 C ATOM 1076 CG PRO A 68 0.250 -0.757 16.382 1.00 33.14 C ATOM 1077 CD PRO A 68 -0.013 -1.939 15.487 1.00 24.22 C ATOM 0 HA PRO A 68 1.604 -0.048 13.457 1.00 4.24 H new ATOM 0 HB2 PRO A 68 1.513 0.948 16.085 1.00 63.15 H new ATOM 0 HB3 PRO A 68 0.100 0.915 15.049 1.00 63.15 H new ATOM 0 HG2 PRO A 68 0.920 -1.027 17.198 1.00 33.14 H new ATOM 0 HG3 PRO A 68 -0.674 -0.396 16.834 1.00 33.14 H new ATOM 0 HD2 PRO A 68 0.034 -2.879 16.036 1.00 24.22 H new ATOM 0 HD3 PRO A 68 -1.001 -1.887 15.030 1.00 24.22 H new ATOM 1085 N GLU A 69 3.569 -1.508 15.583 1.00 64.12 N ATOM 1086 CA GLU A 69 4.987 -1.735 15.878 1.00 62.20 C ATOM 1087 C GLU A 69 5.408 -3.163 15.483 1.00 64.15 C ATOM 1088 O GLU A 69 5.394 -4.072 16.312 1.00 40.55 O ATOM 1089 CB GLU A 69 5.281 -1.520 17.369 1.00 51.44 C ATOM 1090 CG GLU A 69 4.935 -0.133 17.897 1.00 53.03 C ATOM 1091 CD GLU A 69 5.316 0.029 19.360 1.00 74.13 C ATOM 1092 OE1 GLU A 69 4.516 -0.360 20.238 1.00 64.24 O ATOM 1093 OE2 GLU A 69 6.434 0.518 19.639 1.00 54.02 O ATOM 0 H GLU A 69 2.937 -2.170 16.034 1.00 64.12 H new ATOM 0 HA GLU A 69 5.559 -1.015 15.293 1.00 62.20 H new ATOM 0 HB2 GLU A 69 4.726 -2.261 17.944 1.00 51.44 H new ATOM 0 HB3 GLU A 69 6.340 -1.707 17.546 1.00 51.44 H new ATOM 0 HG2 GLU A 69 5.451 0.621 17.302 1.00 53.03 H new ATOM 0 HG3 GLU A 69 3.866 0.044 17.779 1.00 53.03 H new ATOM 1100 N PRO A 70 5.748 -3.397 14.204 1.00 15.22 N ATOM 1101 CA PRO A 70 6.241 -4.706 13.759 1.00 21.12 C ATOM 1102 C PRO A 70 7.707 -4.945 14.172 1.00 61.42 C ATOM 1103 O PRO A 70 8.624 -4.288 13.671 1.00 25.51 O ATOM 1104 CB PRO A 70 6.094 -4.632 12.233 1.00 2.34 C ATOM 1105 CG PRO A 70 6.213 -3.177 11.907 1.00 52.22 C ATOM 1106 CD PRO A 70 5.659 -2.424 13.095 1.00 35.45 C ATOM 0 HA PRO A 70 5.693 -5.535 14.206 1.00 21.12 H new ATOM 0 HB2 PRO A 70 6.868 -5.214 11.733 1.00 2.34 H new ATOM 0 HB3 PRO A 70 5.134 -5.033 11.908 1.00 2.34 H new ATOM 0 HG2 PRO A 70 7.252 -2.904 11.725 1.00 52.22 H new ATOM 0 HG3 PRO A 70 5.657 -2.936 11.001 1.00 52.22 H new ATOM 0 HD2 PRO A 70 6.239 -1.525 13.304 1.00 35.45 H new ATOM 0 HD3 PRO A 70 4.630 -2.107 12.923 1.00 35.45 H new ATOM 1114 N ARG A 71 7.922 -5.877 15.103 1.00 11.42 N ATOM 1115 CA ARG A 71 9.274 -6.187 15.587 1.00 32.05 C ATOM 1116 C ARG A 71 10.014 -7.126 14.621 1.00 2.02 C ATOM 1117 O ARG A 71 11.197 -6.931 14.334 1.00 23.31 O ATOM 1118 CB ARG A 71 9.235 -6.818 16.993 1.00 74.23 C ATOM 1119 CG ARG A 71 8.980 -5.830 18.134 1.00 74.23 C ATOM 1120 CD ARG A 71 7.548 -5.307 18.161 1.00 64.23 C ATOM 1121 NE ARG A 71 7.331 -4.375 19.267 1.00 5.52 N ATOM 1122 CZ ARG A 71 6.165 -3.915 19.629 1.00 21.42 C ATOM 1123 NH1 ARG A 71 5.088 -4.274 19.005 1.00 75.31 N ATOM 1124 NH2 ARG A 71 6.080 -3.080 20.613 1.00 12.21 N ATOM 0 H ARG A 71 7.182 -6.429 15.537 1.00 11.42 H new ATOM 0 HA ARG A 71 9.816 -5.243 15.641 1.00 32.05 H new ATOM 0 HB2 ARG A 71 8.457 -7.581 17.012 1.00 74.23 H new ATOM 0 HB3 ARG A 71 10.183 -7.324 17.175 1.00 74.23 H new ATOM 0 HG2 ARG A 71 9.201 -6.316 19.084 1.00 74.23 H new ATOM 0 HG3 ARG A 71 9.666 -4.989 18.039 1.00 74.23 H new ATOM 0 HD2 ARG A 71 7.325 -4.809 17.217 1.00 64.23 H new ATOM 0 HD3 ARG A 71 6.857 -6.145 18.251 1.00 64.23 H new ATOM 0 HE ARG A 71 8.148 -4.063 19.792 1.00 5.52 H new ATOM 0 HH11 ARG A 71 5.146 -4.924 18.221 1.00 75.31 H new ATOM 0 HH12 ARG A 71 4.183 -3.907 19.298 1.00 75.31 H new ATOM 0 HH21 ARG A 71 6.923 -2.783 21.104 1.00 12.21 H new ATOM 0 HH22 ARG A 71 5.170 -2.719 20.898 1.00 12.21 H new ATOM 1138 N SER A 72 9.317 -8.145 14.129 1.00 65.45 N ATOM 1139 CA SER A 72 9.917 -9.133 13.216 1.00 73.45 C ATOM 1140 C SER A 72 9.400 -8.981 11.778 1.00 71.44 C ATOM 1141 O SER A 72 8.316 -8.439 11.546 1.00 61.31 O ATOM 1142 CB SER A 72 9.627 -10.556 13.709 1.00 63.53 C ATOM 1143 OG SER A 72 10.151 -11.530 12.819 1.00 65.12 O ATOM 0 H SER A 72 8.334 -8.315 14.343 1.00 65.45 H new ATOM 0 HA SER A 72 10.992 -8.951 13.210 1.00 73.45 H new ATOM 0 HB2 SER A 72 10.061 -10.695 14.699 1.00 63.53 H new ATOM 0 HB3 SER A 72 8.551 -10.695 13.810 1.00 63.53 H new ATOM 0 HG SER A 72 9.952 -12.427 13.161 1.00 65.12 H new ATOM 1149 N GLU A 73 10.185 -9.480 10.818 1.00 44.23 N ATOM 1150 CA GLU A 73 9.816 -9.453 9.394 1.00 12.21 C ATOM 1151 C GLU A 73 8.410 -10.030 9.165 1.00 14.13 C ATOM 1152 O GLU A 73 7.625 -9.494 8.382 1.00 31.41 O ATOM 1153 CB GLU A 73 10.844 -10.250 8.574 1.00 33.54 C ATOM 1154 CG GLU A 73 10.479 -10.406 7.097 1.00 71.31 C ATOM 1155 CD GLU A 73 11.490 -11.232 6.319 1.00 53.31 C ATOM 1156 OE1 GLU A 73 11.475 -12.474 6.450 1.00 10.23 O ATOM 1157 OE2 GLU A 73 12.310 -10.644 5.579 1.00 5.04 O ATOM 0 H GLU A 73 11.090 -9.913 11.002 1.00 44.23 H new ATOM 0 HA GLU A 73 9.811 -8.413 9.068 1.00 12.21 H new ATOM 0 HB2 GLU A 73 11.813 -9.756 8.648 1.00 33.54 H new ATOM 0 HB3 GLU A 73 10.956 -11.240 9.016 1.00 33.54 H new ATOM 0 HG2 GLU A 73 9.498 -10.875 7.019 1.00 71.31 H new ATOM 0 HG3 GLU A 73 10.398 -9.419 6.642 1.00 71.31 H new ATOM 1164 N SER A 74 8.102 -11.120 9.867 1.00 3.41 N ATOM 1165 CA SER A 74 6.794 -11.785 9.764 1.00 63.41 C ATOM 1166 C SER A 74 5.636 -10.807 10.009 1.00 52.22 C ATOM 1167 O SER A 74 4.665 -10.776 9.252 1.00 53.35 O ATOM 1168 CB SER A 74 6.708 -12.928 10.782 1.00 2.11 C ATOM 1169 OG SER A 74 6.883 -12.439 12.103 1.00 44.35 O ATOM 0 H SER A 74 8.744 -11.568 10.520 1.00 3.41 H new ATOM 0 HA SER A 74 6.704 -12.175 8.750 1.00 63.41 H new ATOM 0 HB2 SER A 74 5.741 -13.424 10.698 1.00 2.11 H new ATOM 0 HB3 SER A 74 7.470 -13.676 10.562 1.00 2.11 H new ATOM 0 HG SER A 74 6.823 -13.183 12.738 1.00 44.35 H new ATOM 1175 N GLU A 75 5.742 -10.011 11.073 1.00 53.11 N ATOM 1176 CA GLU A 75 4.697 -9.043 11.430 1.00 63.12 C ATOM 1177 C GLU A 75 4.555 -7.955 10.352 1.00 15.10 C ATOM 1178 O GLU A 75 3.439 -7.601 9.964 1.00 40.31 O ATOM 1179 CB GLU A 75 4.996 -8.410 12.798 1.00 61.14 C ATOM 1180 CG GLU A 75 5.152 -9.434 13.921 1.00 64.30 C ATOM 1181 CD GLU A 75 5.503 -8.798 15.257 1.00 61.14 C ATOM 1182 OE1 GLU A 75 6.690 -8.471 15.469 1.00 11.24 O ATOM 1183 OE2 GLU A 75 4.600 -8.628 16.101 1.00 15.23 O ATOM 0 H GLU A 75 6.542 -10.015 11.706 1.00 53.11 H new ATOM 0 HA GLU A 75 3.750 -9.579 11.493 1.00 63.12 H new ATOM 0 HB2 GLU A 75 5.910 -7.820 12.725 1.00 61.14 H new ATOM 0 HB3 GLU A 75 4.191 -7.721 13.054 1.00 61.14 H new ATOM 0 HG2 GLU A 75 4.224 -9.996 14.025 1.00 64.30 H new ATOM 0 HG3 GLU A 75 5.929 -10.148 13.649 1.00 64.30 H new ATOM 1190 N CYS A 76 5.688 -7.443 9.861 1.00 62.41 N ATOM 1191 CA CYS A 76 5.683 -6.471 8.753 1.00 1.11 C ATOM 1192 C CYS A 76 4.937 -7.038 7.538 1.00 41.00 C ATOM 1193 O CYS A 76 4.038 -6.403 6.981 1.00 25.44 O ATOM 1194 CB CYS A 76 7.118 -6.113 8.344 1.00 71.51 C ATOM 1195 SG CYS A 76 8.134 -5.430 9.679 1.00 31.54 S ATOM 0 H CYS A 76 6.617 -7.681 10.208 1.00 62.41 H new ATOM 0 HA CYS A 76 5.172 -5.573 9.099 1.00 1.11 H new ATOM 0 HB2 CYS A 76 7.605 -7.007 7.956 1.00 71.51 H new ATOM 0 HB3 CYS A 76 7.080 -5.391 7.528 1.00 71.51 H new ATOM 0 HG CYS A 76 8.390 -6.361 10.550 1.00 31.54 H new ATOM 1201 N LEU A 77 5.321 -8.250 7.140 1.00 14.31 N ATOM 1202 CA LEU A 77 4.661 -8.957 6.039 1.00 32.41 C ATOM 1203 C LEU A 77 3.160 -9.148 6.315 1.00 3.51 C ATOM 1204 O LEU A 77 2.332 -8.971 5.423 1.00 44.51 O ATOM 1205 CB LEU A 77 5.327 -10.323 5.813 1.00 72.25 C ATOM 1206 CG LEU A 77 6.811 -10.274 5.402 1.00 55.20 C ATOM 1207 CD1 LEU A 77 7.408 -11.678 5.336 1.00 53.54 C ATOM 1208 CD2 LEU A 77 6.974 -9.559 4.063 1.00 0.45 C ATOM 0 H LEU A 77 6.090 -8.767 7.566 1.00 14.31 H new ATOM 0 HA LEU A 77 4.767 -8.349 5.141 1.00 32.41 H new ATOM 0 HB2 LEU A 77 5.240 -10.907 6.729 1.00 72.25 H new ATOM 0 HB3 LEU A 77 4.771 -10.856 5.042 1.00 72.25 H new ATOM 0 HG LEU A 77 7.353 -9.712 6.163 1.00 55.20 H new ATOM 0 HD11 LEU A 77 8.456 -11.614 5.044 1.00 53.54 H new ATOM 0 HD12 LEU A 77 7.332 -12.152 6.315 1.00 53.54 H new ATOM 0 HD13 LEU A 77 6.862 -12.271 4.602 1.00 53.54 H new ATOM 0 HD21 LEU A 77 8.029 -9.534 3.790 1.00 0.45 H new ATOM 0 HD22 LEU A 77 6.413 -10.092 3.295 1.00 0.45 H new ATOM 0 HD23 LEU A 77 6.597 -8.540 4.147 1.00 0.45 H new ATOM 1220 N SER A 78 2.823 -9.501 7.558 1.00 13.24 N ATOM 1221 CA SER A 78 1.423 -9.724 7.963 1.00 21.34 C ATOM 1222 C SER A 78 0.546 -8.490 7.709 1.00 32.22 C ATOM 1223 O SER A 78 -0.613 -8.615 7.298 1.00 52.02 O ATOM 1224 CB SER A 78 1.345 -10.121 9.446 1.00 4.33 C ATOM 1225 OG SER A 78 1.973 -11.374 9.678 1.00 71.44 O ATOM 0 H SER A 78 3.500 -9.640 8.308 1.00 13.24 H new ATOM 0 HA SER A 78 1.040 -10.539 7.349 1.00 21.34 H new ATOM 0 HB2 SER A 78 1.822 -9.354 10.056 1.00 4.33 H new ATOM 0 HB3 SER A 78 0.301 -10.172 9.757 1.00 4.33 H new ATOM 0 HG SER A 78 2.941 -11.283 9.553 1.00 71.44 H new ATOM 1231 N ASN A 79 1.098 -7.301 7.952 1.00 52.52 N ATOM 1232 CA ASN A 79 0.398 -6.047 7.643 1.00 52.42 C ATOM 1233 C ASN A 79 0.062 -5.972 6.146 1.00 11.23 C ATOM 1234 O ASN A 79 -1.037 -5.575 5.755 1.00 23.14 O ATOM 1235 CB ASN A 79 1.254 -4.837 8.042 1.00 40.42 C ATOM 1236 CG ASN A 79 1.538 -4.777 9.530 1.00 61.44 C ATOM 1237 OD1 ASN A 79 0.757 -5.254 10.341 1.00 71.44 O ATOM 1238 ND2 ASN A 79 2.654 -4.182 9.901 1.00 44.24 N ATOM 0 H ASN A 79 2.024 -7.176 8.360 1.00 52.52 H new ATOM 0 HA ASN A 79 -0.529 -6.028 8.216 1.00 52.42 H new ATOM 0 HB2 ASN A 79 2.198 -4.872 7.499 1.00 40.42 H new ATOM 0 HB3 ASN A 79 0.745 -3.923 7.738 1.00 40.42 H new ATOM 0 HD21 ASN A 79 2.888 -4.109 10.891 1.00 44.24 H new ATOM 0 HD22 ASN A 79 3.284 -3.795 9.198 1.00 44.24 H new ATOM 1245 N ILE A 80 1.020 -6.374 5.316 1.00 31.21 N ATOM 1246 CA ILE A 80 0.829 -6.395 3.865 1.00 31.42 C ATOM 1247 C ILE A 80 -0.168 -7.491 3.447 1.00 23.13 C ATOM 1248 O ILE A 80 -0.986 -7.286 2.551 1.00 64.53 O ATOM 1249 CB ILE A 80 2.174 -6.613 3.124 1.00 31.34 C ATOM 1250 CG1 ILE A 80 3.217 -5.577 3.584 1.00 30.14 C ATOM 1251 CG2 ILE A 80 1.972 -6.533 1.608 1.00 53.42 C ATOM 1252 CD1 ILE A 80 4.583 -5.753 2.948 1.00 32.10 C ATOM 0 H ILE A 80 1.940 -6.691 5.622 1.00 31.21 H new ATOM 0 HA ILE A 80 0.423 -5.423 3.584 1.00 31.42 H new ATOM 0 HB ILE A 80 2.544 -7.608 3.370 1.00 31.34 H new ATOM 0 HG12 ILE A 80 2.847 -4.578 3.355 1.00 30.14 H new ATOM 0 HG13 ILE A 80 3.321 -5.638 4.667 1.00 30.14 H new ATOM 0 HG21 ILE A 80 2.926 -6.688 1.105 1.00 53.42 H new ATOM 0 HG22 ILE A 80 1.267 -7.302 1.294 1.00 53.42 H new ATOM 0 HG23 ILE A 80 1.579 -5.551 1.345 1.00 53.42 H new ATOM 0 HD11 ILE A 80 5.260 -4.986 3.323 1.00 32.10 H new ATOM 0 HD12 ILE A 80 4.977 -6.738 3.198 1.00 32.10 H new ATOM 0 HD13 ILE A 80 4.495 -5.662 1.865 1.00 32.10 H new ATOM 1264 N ARG A 81 -0.110 -8.654 4.111 1.00 61.32 N ATOM 1265 CA ARG A 81 -1.026 -9.768 3.800 1.00 32.34 C ATOM 1266 C ARG A 81 -2.484 -9.361 4.051 1.00 45.44 C ATOM 1267 O ARG A 81 -3.377 -9.706 3.278 1.00 12.43 O ATOM 1268 CB ARG A 81 -0.702 -11.025 4.631 1.00 62.11 C ATOM 1269 CG ARG A 81 0.764 -11.445 4.603 1.00 4.13 C ATOM 1270 CD ARG A 81 1.309 -11.607 3.187 1.00 63.32 C ATOM 1271 NE ARG A 81 0.767 -12.770 2.485 1.00 42.41 N ATOM 1272 CZ ARG A 81 1.411 -13.409 1.541 1.00 75.22 C ATOM 1273 NH1 ARG A 81 2.607 -13.046 1.205 1.00 40.11 N ATOM 1274 NH2 ARG A 81 0.866 -14.415 0.945 1.00 44.23 N ATOM 0 H ARG A 81 0.554 -8.850 4.860 1.00 61.32 H new ATOM 0 HA ARG A 81 -0.888 -10.004 2.745 1.00 32.34 H new ATOM 0 HB2 ARG A 81 -0.995 -10.846 5.665 1.00 62.11 H new ATOM 0 HB3 ARG A 81 -1.310 -11.852 4.266 1.00 62.11 H new ATOM 0 HG2 ARG A 81 1.360 -10.702 5.133 1.00 4.13 H new ATOM 0 HG3 ARG A 81 0.877 -12.387 5.140 1.00 4.13 H new ATOM 0 HD2 ARG A 81 1.083 -10.708 2.614 1.00 63.32 H new ATOM 0 HD3 ARG A 81 2.395 -11.692 3.231 1.00 63.32 H new ATOM 0 HE ARG A 81 -0.162 -13.101 2.745 1.00 42.41 H new ATOM 0 HH11 ARG A 81 3.052 -12.259 1.676 1.00 40.11 H new ATOM 0 HH12 ARG A 81 3.104 -13.547 0.469 1.00 40.11 H new ATOM 0 HH21 ARG A 81 -0.072 -14.717 1.208 1.00 44.23 H new ATOM 0 HH22 ARG A 81 1.373 -14.908 0.210 1.00 44.23 H new ATOM 1288 N GLU A 82 -2.714 -8.630 5.141 1.00 70.11 N ATOM 1289 CA GLU A 82 -4.052 -8.122 5.468 1.00 33.23 C ATOM 1290 C GLU A 82 -4.568 -7.184 4.362 1.00 2.44 C ATOM 1291 O GLU A 82 -5.701 -7.312 3.900 1.00 1.11 O ATOM 1292 CB GLU A 82 -4.018 -7.378 6.812 1.00 13.12 C ATOM 1293 CG GLU A 82 -5.392 -6.942 7.322 1.00 62.43 C ATOM 1294 CD GLU A 82 -6.272 -8.106 7.757 1.00 31.10 C ATOM 1295 OE1 GLU A 82 -6.957 -8.699 6.902 1.00 60.43 O ATOM 1296 OE2 GLU A 82 -6.280 -8.440 8.961 1.00 42.13 O ATOM 0 H GLU A 82 -1.992 -8.374 5.815 1.00 70.11 H new ATOM 0 HA GLU A 82 -4.731 -8.971 5.544 1.00 33.23 H new ATOM 0 HB2 GLU A 82 -3.553 -8.021 7.559 1.00 13.12 H new ATOM 0 HB3 GLU A 82 -3.384 -6.497 6.711 1.00 13.12 H new ATOM 0 HG2 GLU A 82 -5.260 -6.262 8.163 1.00 62.43 H new ATOM 0 HG3 GLU A 82 -5.902 -6.384 6.537 1.00 62.43 H new ATOM 1303 N PHE A 83 -3.720 -6.246 3.941 1.00 53.42 N ATOM 1304 CA PHE A 83 -4.035 -5.351 2.817 1.00 74.14 C ATOM 1305 C PHE A 83 -4.395 -6.150 1.548 1.00 74.11 C ATOM 1306 O PHE A 83 -5.446 -5.937 0.936 1.00 14.54 O ATOM 1307 CB PHE A 83 -2.836 -4.428 2.546 1.00 62.45 C ATOM 1308 CG PHE A 83 -3.003 -3.528 1.346 1.00 34.14 C ATOM 1309 CD1 PHE A 83 -3.835 -2.419 1.403 1.00 52.24 C ATOM 1310 CD2 PHE A 83 -2.326 -3.791 0.162 1.00 35.31 C ATOM 1311 CE1 PHE A 83 -3.986 -1.591 0.307 1.00 4.22 C ATOM 1312 CE2 PHE A 83 -2.474 -2.965 -0.935 1.00 10.33 C ATOM 1313 CZ PHE A 83 -3.306 -1.865 -0.863 1.00 55.21 C ATOM 0 H PHE A 83 -2.805 -6.082 4.360 1.00 53.42 H new ATOM 0 HA PHE A 83 -4.904 -4.750 3.085 1.00 74.14 H new ATOM 0 HB2 PHE A 83 -2.662 -3.810 3.427 1.00 62.45 H new ATOM 0 HB3 PHE A 83 -1.946 -5.041 2.405 1.00 62.45 H new ATOM 0 HD1 PHE A 83 -4.371 -2.200 2.315 1.00 52.24 H new ATOM 0 HD2 PHE A 83 -1.676 -4.651 0.098 1.00 35.31 H new ATOM 0 HE1 PHE A 83 -4.635 -0.730 0.366 1.00 4.22 H new ATOM 0 HE2 PHE A 83 -1.939 -3.179 -1.849 1.00 10.33 H new ATOM 0 HZ PHE A 83 -3.425 -1.220 -1.721 1.00 55.21 H new ATOM 1323 N LEU A 84 -3.516 -7.076 1.168 1.00 53.00 N ATOM 1324 CA LEU A 84 -3.747 -7.951 0.010 1.00 51.21 C ATOM 1325 C LEU A 84 -5.039 -8.773 0.167 1.00 61.13 C ATOM 1326 O LEU A 84 -5.730 -9.064 -0.814 1.00 23.11 O ATOM 1327 CB LEU A 84 -2.558 -8.902 -0.163 1.00 14.32 C ATOM 1328 CG LEU A 84 -1.205 -8.220 -0.434 1.00 34.33 C ATOM 1329 CD1 LEU A 84 -0.068 -9.241 -0.407 1.00 12.15 C ATOM 1330 CD2 LEU A 84 -1.236 -7.474 -1.766 1.00 63.34 C ATOM 0 H LEU A 84 -2.631 -7.243 1.646 1.00 53.00 H new ATOM 0 HA LEU A 84 -3.853 -7.317 -0.870 1.00 51.21 H new ATOM 0 HB2 LEU A 84 -2.466 -9.510 0.737 1.00 14.32 H new ATOM 0 HB3 LEU A 84 -2.775 -9.582 -0.986 1.00 14.32 H new ATOM 0 HG LEU A 84 -1.024 -7.493 0.358 1.00 34.33 H new ATOM 0 HD11 LEU A 84 0.879 -8.737 -0.601 1.00 12.15 H new ATOM 0 HD12 LEU A 84 -0.031 -9.718 0.572 1.00 12.15 H new ATOM 0 HD13 LEU A 84 -0.240 -9.997 -1.173 1.00 12.15 H new ATOM 0 HD21 LEU A 84 -0.271 -6.999 -1.939 1.00 63.34 H new ATOM 0 HD22 LEU A 84 -1.444 -8.177 -2.572 1.00 63.34 H new ATOM 0 HD23 LEU A 84 -2.015 -6.713 -1.739 1.00 63.34 H new ATOM 1342 N ARG A 85 -5.347 -9.148 1.406 1.00 14.50 N ATOM 1343 CA ARG A 85 -6.544 -9.935 1.708 1.00 53.12 C ATOM 1344 C ARG A 85 -7.817 -9.093 1.541 1.00 13.25 C ATOM 1345 O ARG A 85 -8.792 -9.542 0.944 1.00 12.41 O ATOM 1346 CB ARG A 85 -6.447 -10.494 3.134 1.00 24.50 C ATOM 1347 CG ARG A 85 -7.609 -11.396 3.540 1.00 63.44 C ATOM 1348 CD ARG A 85 -7.251 -12.257 4.748 1.00 70.31 C ATOM 1349 NE ARG A 85 -6.716 -11.462 5.855 1.00 54.21 N ATOM 1350 CZ ARG A 85 -5.625 -11.755 6.514 1.00 4.44 C ATOM 1351 NH1 ARG A 85 -4.916 -12.791 6.194 1.00 3.41 N ATOM 1352 NH2 ARG A 85 -5.250 -11.004 7.495 1.00 31.52 N ATOM 0 H ARG A 85 -4.781 -8.919 2.223 1.00 14.50 H new ATOM 0 HA ARG A 85 -6.603 -10.764 1.003 1.00 53.12 H new ATOM 0 HB2 ARG A 85 -5.518 -11.055 3.228 1.00 24.50 H new ATOM 0 HB3 ARG A 85 -6.388 -9.661 3.834 1.00 24.50 H new ATOM 0 HG2 ARG A 85 -8.481 -10.785 3.773 1.00 63.44 H new ATOM 0 HG3 ARG A 85 -7.883 -12.038 2.703 1.00 63.44 H new ATOM 0 HD2 ARG A 85 -8.138 -12.795 5.084 1.00 70.31 H new ATOM 0 HD3 ARG A 85 -6.517 -13.006 4.453 1.00 70.31 H new ATOM 0 HE ARG A 85 -7.228 -10.624 6.131 1.00 54.21 H new ATOM 0 HH11 ARG A 85 -5.207 -13.389 5.420 1.00 3.41 H new ATOM 0 HH12 ARG A 85 -4.067 -13.009 6.716 1.00 3.41 H new ATOM 0 HH21 ARG A 85 -5.804 -10.187 7.752 1.00 31.52 H new ATOM 0 HH22 ARG A 85 -4.400 -11.228 8.013 1.00 31.52 H new ATOM 1366 N GLY A 86 -7.793 -7.866 2.058 1.00 12.31 N ATOM 1367 CA GLY A 86 -8.935 -6.971 1.920 1.00 0.12 C ATOM 1368 C GLY A 86 -9.266 -6.644 0.466 1.00 63.22 C ATOM 1369 O GLY A 86 -10.401 -6.830 0.020 1.00 62.43 O ATOM 0 H GLY A 86 -7.003 -7.474 2.571 1.00 12.31 H new ATOM 0 HA2 GLY A 86 -9.806 -7.427 2.391 1.00 0.12 H new ATOM 0 HA3 GLY A 86 -8.730 -6.045 2.457 1.00 0.12 H new ATOM 1373 N CYS A 87 -8.272 -6.164 -0.279 1.00 52.11 N ATOM 1374 CA CYS A 87 -8.447 -5.853 -1.706 1.00 24.12 C ATOM 1375 C CYS A 87 -8.781 -7.113 -2.522 1.00 41.14 C ATOM 1376 O CYS A 87 -9.675 -7.101 -3.370 1.00 30.43 O ATOM 1377 CB CYS A 87 -7.180 -5.193 -2.261 1.00 2.34 C ATOM 1378 SG CYS A 87 -6.721 -3.657 -1.422 1.00 11.10 S ATOM 0 H CYS A 87 -7.334 -5.980 0.078 1.00 52.11 H new ATOM 0 HA CYS A 87 -9.285 -5.162 -1.795 1.00 24.12 H new ATOM 0 HB2 CYS A 87 -6.352 -5.898 -2.184 1.00 2.34 H new ATOM 0 HB3 CYS A 87 -7.325 -4.986 -3.321 1.00 2.34 H new ATOM 0 HG CYS A 87 -5.639 -3.176 -1.959 1.00 11.10 H new ATOM 1384 N GLY A 88 -8.057 -8.199 -2.252 1.00 4.14 N ATOM 1385 CA GLY A 88 -8.280 -9.458 -2.959 1.00 10.10 C ATOM 1386 C GLY A 88 -9.644 -10.091 -2.679 1.00 23.12 C ATOM 1387 O GLY A 88 -10.221 -10.737 -3.554 1.00 51.33 O ATOM 0 H GLY A 88 -7.315 -8.232 -1.553 1.00 4.14 H new ATOM 0 HA2 GLY A 88 -8.184 -9.284 -4.031 1.00 10.10 H new ATOM 0 HA3 GLY A 88 -7.498 -10.164 -2.680 1.00 10.10 H new ATOM 1391 N ALA A 89 -10.155 -9.925 -1.459 1.00 3.45 N ATOM 1392 CA ALA A 89 -11.458 -10.492 -1.080 1.00 15.22 C ATOM 1393 C ALA A 89 -12.627 -9.573 -1.474 1.00 34.03 C ATOM 1394 O ALA A 89 -13.499 -9.956 -2.254 1.00 22.24 O ATOM 1395 CB ALA A 89 -11.494 -10.769 0.422 1.00 32.41 C ATOM 0 H ALA A 89 -9.691 -9.404 -0.715 1.00 3.45 H new ATOM 0 HA ALA A 89 -11.578 -11.427 -1.627 1.00 15.22 H new ATOM 0 HB1 ALA A 89 -12.463 -11.189 0.691 1.00 32.41 H new ATOM 0 HB2 ALA A 89 -10.707 -11.478 0.680 1.00 32.41 H new ATOM 0 HB3 ALA A 89 -11.337 -9.838 0.967 1.00 32.41 H new ATOM 1401 N SER A 90 -12.634 -8.358 -0.929 1.00 32.50 N ATOM 1402 CA SER A 90 -13.729 -7.401 -1.161 1.00 23.32 C ATOM 1403 C SER A 90 -13.795 -6.949 -2.627 1.00 53.32 C ATOM 1404 O SER A 90 -14.820 -7.099 -3.296 1.00 43.34 O ATOM 1405 CB SER A 90 -13.561 -6.175 -0.248 1.00 54.30 C ATOM 1406 OG SER A 90 -14.634 -5.260 -0.395 1.00 50.34 O ATOM 0 H SER A 90 -11.894 -8.007 -0.321 1.00 32.50 H new ATOM 0 HA SER A 90 -14.663 -7.911 -0.926 1.00 23.32 H new ATOM 0 HB2 SER A 90 -13.500 -6.500 0.791 1.00 54.30 H new ATOM 0 HB3 SER A 90 -12.621 -5.674 -0.481 1.00 54.30 H new ATOM 0 HG SER A 90 -14.677 -4.677 0.392 1.00 50.34 H new ATOM 1412 N LEU A 91 -12.687 -6.408 -3.124 1.00 60.31 N ATOM 1413 CA LEU A 91 -12.621 -5.865 -4.486 1.00 72.52 C ATOM 1414 C LEU A 91 -12.316 -6.948 -5.534 1.00 75.10 C ATOM 1415 O LEU A 91 -12.627 -6.778 -6.713 1.00 11.31 O ATOM 1416 CB LEU A 91 -11.561 -4.760 -4.539 1.00 54.25 C ATOM 1417 CG LEU A 91 -11.905 -3.490 -3.741 1.00 71.35 C ATOM 1418 CD1 LEU A 91 -10.665 -2.630 -3.518 1.00 54.51 C ATOM 1419 CD2 LEU A 91 -12.989 -2.693 -4.463 1.00 14.33 C ATOM 0 H LEU A 91 -11.814 -6.332 -2.603 1.00 60.31 H new ATOM 0 HA LEU A 91 -13.601 -5.456 -4.732 1.00 72.52 H new ATOM 0 HB2 LEU A 91 -10.620 -5.162 -4.165 1.00 54.25 H new ATOM 0 HB3 LEU A 91 -11.398 -4.483 -5.581 1.00 54.25 H new ATOM 0 HG LEU A 91 -12.283 -3.791 -2.764 1.00 71.35 H new ATOM 0 HD11 LEU A 91 -10.937 -1.739 -2.952 1.00 54.51 H new ATOM 0 HD12 LEU A 91 -9.922 -3.201 -2.962 1.00 54.51 H new ATOM 0 HD13 LEU A 91 -10.249 -2.335 -4.481 1.00 54.51 H new ATOM 0 HD21 LEU A 91 -13.224 -1.797 -3.889 1.00 14.33 H new ATOM 0 HD22 LEU A 91 -12.632 -2.407 -5.453 1.00 14.33 H new ATOM 0 HD23 LEU A 91 -13.885 -3.305 -4.563 1.00 14.33 H new ATOM 1431 N ARG A 92 -11.684 -8.043 -5.100 1.00 61.41 N ATOM 1432 CA ARG A 92 -11.384 -9.184 -5.984 1.00 4.34 C ATOM 1433 C ARG A 92 -10.402 -8.780 -7.109 1.00 14.01 C ATOM 1434 O ARG A 92 -10.295 -9.450 -8.135 1.00 53.24 O ATOM 1435 CB ARG A 92 -12.700 -9.749 -6.571 1.00 25.23 C ATOM 1436 CG ARG A 92 -12.781 -11.279 -6.627 1.00 3.11 C ATOM 1437 CD ARG A 92 -11.747 -11.889 -7.569 1.00 3.14 C ATOM 1438 NE ARG A 92 -11.888 -13.339 -7.681 1.00 13.04 N ATOM 1439 CZ ARG A 92 -10.987 -14.129 -8.193 1.00 44.41 C ATOM 1440 NH1 ARG A 92 -9.847 -13.662 -8.592 1.00 32.12 N ATOM 1441 NH2 ARG A 92 -11.229 -15.396 -8.289 1.00 34.14 N ATOM 0 H ARG A 92 -11.367 -8.168 -4.138 1.00 61.41 H new ATOM 0 HA ARG A 92 -10.898 -9.962 -5.396 1.00 4.34 H new ATOM 0 HB2 ARG A 92 -13.534 -9.378 -5.976 1.00 25.23 H new ATOM 0 HB3 ARG A 92 -12.828 -9.356 -7.580 1.00 25.23 H new ATOM 0 HG2 ARG A 92 -12.637 -11.683 -5.625 1.00 3.11 H new ATOM 0 HG3 ARG A 92 -13.779 -11.574 -6.950 1.00 3.11 H new ATOM 0 HD2 ARG A 92 -11.848 -11.439 -8.557 1.00 3.14 H new ATOM 0 HD3 ARG A 92 -10.746 -11.650 -7.210 1.00 3.14 H new ATOM 0 HE ARG A 92 -12.750 -13.761 -7.335 1.00 13.04 H new ATOM 0 HH11 ARG A 92 -9.646 -12.666 -8.507 1.00 32.12 H new ATOM 0 HH12 ARG A 92 -9.150 -14.291 -8.991 1.00 32.12 H new ATOM 0 HH21 ARG A 92 -12.121 -15.771 -7.965 1.00 34.14 H new ATOM 0 HH22 ARG A 92 -10.528 -16.020 -8.689 1.00 34.14 H new ATOM 1455 N LEU A 93 -9.664 -7.692 -6.892 1.00 30.24 N ATOM 1456 CA LEU A 93 -8.743 -7.160 -7.907 1.00 12.20 C ATOM 1457 C LEU A 93 -7.361 -7.842 -7.861 1.00 54.24 C ATOM 1458 O LEU A 93 -7.054 -8.603 -6.937 1.00 54.03 O ATOM 1459 CB LEU A 93 -8.617 -5.629 -7.760 1.00 55.43 C ATOM 1460 CG LEU A 93 -8.239 -5.094 -6.357 1.00 40.44 C ATOM 1461 CD1 LEU A 93 -6.761 -5.304 -6.050 1.00 20.12 C ATOM 1462 CD2 LEU A 93 -8.602 -3.617 -6.229 1.00 42.11 C ATOM 0 H LEU A 93 -9.683 -7.158 -6.023 1.00 30.24 H new ATOM 0 HA LEU A 93 -9.165 -7.386 -8.886 1.00 12.20 H new ATOM 0 HB2 LEU A 93 -7.868 -5.279 -8.471 1.00 55.43 H new ATOM 0 HB3 LEU A 93 -9.567 -5.180 -8.051 1.00 55.43 H new ATOM 0 HG LEU A 93 -8.813 -5.664 -5.626 1.00 40.44 H new ATOM 0 HD11 LEU A 93 -6.537 -4.915 -5.057 1.00 20.12 H new ATOM 0 HD12 LEU A 93 -6.530 -6.369 -6.083 1.00 20.12 H new ATOM 0 HD13 LEU A 93 -6.157 -4.779 -6.790 1.00 20.12 H new ATOM 0 HD21 LEU A 93 -8.329 -3.260 -5.236 1.00 42.11 H new ATOM 0 HD22 LEU A 93 -8.062 -3.043 -6.982 1.00 42.11 H new ATOM 0 HD23 LEU A 93 -9.675 -3.492 -6.377 1.00 42.11 H new ATOM 1474 N GLU A 94 -6.535 -7.559 -8.869 1.00 10.30 N ATOM 1475 CA GLU A 94 -5.183 -8.130 -8.965 1.00 22.20 C ATOM 1476 C GLU A 94 -4.273 -7.638 -7.819 1.00 41.14 C ATOM 1477 O GLU A 94 -4.175 -6.438 -7.551 1.00 13.54 O ATOM 1478 CB GLU A 94 -4.567 -7.793 -10.334 1.00 11.11 C ATOM 1479 CG GLU A 94 -4.512 -6.297 -10.650 1.00 50.20 C ATOM 1480 CD GLU A 94 -4.079 -6.011 -12.082 1.00 62.14 C ATOM 1481 OE1 GLU A 94 -2.867 -5.874 -12.333 1.00 60.41 O ATOM 1482 OE2 GLU A 94 -4.958 -5.927 -12.968 1.00 55.44 O ATOM 0 H GLU A 94 -6.777 -6.934 -9.638 1.00 10.30 H new ATOM 0 HA GLU A 94 -5.265 -9.213 -8.869 1.00 22.20 H new ATOM 0 HB2 GLU A 94 -3.556 -8.198 -10.374 1.00 11.11 H new ATOM 0 HB3 GLU A 94 -5.142 -8.296 -11.112 1.00 11.11 H new ATOM 0 HG2 GLU A 94 -5.495 -5.858 -10.478 1.00 50.20 H new ATOM 0 HG3 GLU A 94 -3.820 -5.810 -9.962 1.00 50.20 H new ATOM 1489 N THR A 95 -3.610 -8.575 -7.140 1.00 2.11 N ATOM 1490 CA THR A 95 -2.776 -8.247 -5.969 1.00 3.22 C ATOM 1491 C THR A 95 -1.364 -8.845 -6.065 1.00 2.10 C ATOM 1492 O THR A 95 -1.154 -9.904 -6.661 1.00 63.34 O ATOM 1493 CB THR A 95 -3.433 -8.732 -4.650 1.00 44.45 C ATOM 1494 OG1 THR A 95 -3.798 -10.119 -4.753 1.00 14.43 O ATOM 1495 CG2 THR A 95 -4.669 -7.904 -4.308 1.00 23.54 C ATOM 0 H THR A 95 -3.630 -9.567 -7.375 1.00 2.11 H new ATOM 0 HA THR A 95 -2.694 -7.160 -5.962 1.00 3.22 H new ATOM 0 HB THR A 95 -2.701 -8.607 -3.852 1.00 44.45 H new ATOM 0 HG1 THR A 95 -4.210 -10.412 -3.913 1.00 14.43 H new ATOM 0 HG21 THR A 95 -5.106 -8.269 -3.379 1.00 23.54 H new ATOM 0 HG22 THR A 95 -4.385 -6.858 -4.189 1.00 23.54 H new ATOM 0 HG23 THR A 95 -5.400 -7.992 -5.112 1.00 23.54 H new ATOM 1503 N PHE A 96 -0.402 -8.149 -5.463 1.00 31.22 N ATOM 1504 CA PHE A 96 0.995 -8.611 -5.390 1.00 10.22 C ATOM 1505 C PHE A 96 1.211 -9.496 -4.151 1.00 54.50 C ATOM 1506 O PHE A 96 0.274 -9.762 -3.400 1.00 71.21 O ATOM 1507 CB PHE A 96 1.945 -7.400 -5.341 1.00 1.24 C ATOM 1508 CG PHE A 96 1.714 -6.476 -4.163 1.00 3.22 C ATOM 1509 CD1 PHE A 96 0.703 -5.525 -4.193 1.00 33.15 C ATOM 1510 CD2 PHE A 96 2.514 -6.555 -3.030 1.00 21.13 C ATOM 1511 CE1 PHE A 96 0.497 -4.675 -3.122 1.00 3.31 C ATOM 1512 CE2 PHE A 96 2.311 -5.710 -1.955 1.00 13.45 C ATOM 1513 CZ PHE A 96 1.301 -4.768 -2.001 1.00 44.54 C ATOM 0 H PHE A 96 -0.562 -7.249 -5.010 1.00 31.22 H new ATOM 0 HA PHE A 96 1.210 -9.203 -6.279 1.00 10.22 H new ATOM 0 HB2 PHE A 96 2.973 -7.760 -5.309 1.00 1.24 H new ATOM 0 HB3 PHE A 96 1.835 -6.829 -6.263 1.00 1.24 H new ATOM 0 HD1 PHE A 96 0.069 -5.448 -5.064 1.00 33.15 H new ATOM 0 HD2 PHE A 96 3.306 -7.288 -2.988 1.00 21.13 H new ATOM 0 HE1 PHE A 96 -0.292 -3.938 -3.161 1.00 3.31 H new ATOM 0 HE2 PHE A 96 2.941 -5.786 -1.081 1.00 13.45 H new ATOM 0 HZ PHE A 96 1.140 -4.106 -1.163 1.00 44.54 H new ATOM 1523 N ASP A 97 2.436 -9.977 -3.953 1.00 2.31 N ATOM 1524 CA ASP A 97 2.782 -10.711 -2.732 1.00 63.30 C ATOM 1525 C ASP A 97 3.615 -9.816 -1.795 1.00 21.12 C ATOM 1526 O ASP A 97 4.358 -8.944 -2.249 1.00 73.14 O ATOM 1527 CB ASP A 97 3.555 -11.994 -3.072 1.00 45.03 C ATOM 1528 CG ASP A 97 3.604 -12.972 -1.908 1.00 53.01 C ATOM 1529 OD1 ASP A 97 4.245 -12.661 -0.885 1.00 53.14 O ATOM 1530 OD2 ASP A 97 2.983 -14.056 -2.003 1.00 55.13 O ATOM 0 H ASP A 97 3.204 -9.874 -4.616 1.00 2.31 H new ATOM 0 HA ASP A 97 1.860 -10.992 -2.223 1.00 63.30 H new ATOM 0 HB2 ASP A 97 3.088 -12.479 -3.930 1.00 45.03 H new ATOM 0 HB3 ASP A 97 4.572 -11.734 -3.367 1.00 45.03 H new ATOM 1535 N ALA A 98 3.498 -10.046 -0.489 1.00 33.33 N ATOM 1536 CA ALA A 98 4.215 -9.240 0.509 1.00 21.33 C ATOM 1537 C ALA A 98 5.730 -9.235 0.258 1.00 74.04 C ATOM 1538 O ALA A 98 6.417 -8.255 0.558 1.00 74.34 O ATOM 1539 CB ALA A 98 3.917 -9.749 1.913 1.00 2.12 C ATOM 0 H ALA A 98 2.915 -10.783 -0.092 1.00 33.33 H new ATOM 0 HA ALA A 98 3.861 -8.213 0.416 1.00 21.33 H new ATOM 0 HB1 ALA A 98 4.455 -9.143 2.642 1.00 2.12 H new ATOM 0 HB2 ALA A 98 2.846 -9.682 2.105 1.00 2.12 H new ATOM 0 HB3 ALA A 98 4.236 -10.788 1.999 1.00 2.12 H new ATOM 1545 N ASN A 99 6.241 -10.331 -0.293 1.00 15.32 N ATOM 1546 CA ASN A 99 7.668 -10.451 -0.595 1.00 31.45 C ATOM 1547 C ASN A 99 8.102 -9.509 -1.733 1.00 25.24 C ATOM 1548 O ASN A 99 9.209 -8.966 -1.696 1.00 51.04 O ATOM 1549 CB ASN A 99 8.012 -11.904 -0.938 1.00 13.23 C ATOM 1550 CG ASN A 99 7.862 -12.825 0.262 1.00 61.24 C ATOM 1551 OD1 ASN A 99 8.946 -13.052 0.977 1.00 41.32 O flip ATOM 1552 ND2 ASN A 99 6.783 -13.331 0.546 1.00 11.54 N flip ATOM 0 H ASN A 99 5.689 -11.152 -0.541 1.00 15.32 H new ATOM 0 HA ASN A 99 8.220 -10.151 0.296 1.00 31.45 H new ATOM 0 HB2 ASN A 99 7.363 -12.249 -1.743 1.00 13.23 H new ATOM 0 HB3 ASN A 99 9.036 -11.956 -1.309 1.00 13.23 H new ATOM 0 HD21 ASN A 99 5.962 -13.136 -0.027 1.00 11.54 H new ATOM 0 HD22 ASN A 99 6.706 -13.947 1.355 1.00 11.54 H new ATOM 1559 N ASP A 100 7.231 -9.299 -2.727 1.00 33.12 N ATOM 1560 CA ASP A 100 7.533 -8.371 -3.827 1.00 35.41 C ATOM 1561 C ASP A 100 7.900 -6.981 -3.290 1.00 0.01 C ATOM 1562 O ASP A 100 8.931 -6.409 -3.652 1.00 41.23 O ATOM 1563 CB ASP A 100 6.337 -8.235 -4.779 1.00 24.02 C ATOM 1564 CG ASP A 100 6.035 -9.509 -5.544 1.00 13.32 C ATOM 1565 OD1 ASP A 100 6.844 -9.896 -6.412 1.00 2.32 O ATOM 1566 OD2 ASP A 100 4.969 -10.111 -5.314 1.00 23.21 O ATOM 0 H ASP A 100 6.320 -9.753 -2.794 1.00 33.12 H new ATOM 0 HA ASP A 100 8.382 -8.785 -4.371 1.00 35.41 H new ATOM 0 HB2 ASP A 100 5.456 -7.945 -4.206 1.00 24.02 H new ATOM 0 HB3 ASP A 100 6.535 -7.431 -5.488 1.00 24.02 H new ATOM 1571 N LEU A 101 7.050 -6.458 -2.410 1.00 32.12 N ATOM 1572 CA LEU A 101 7.232 -5.116 -1.849 1.00 0.23 C ATOM 1573 C LEU A 101 8.318 -5.083 -0.759 1.00 2.43 C ATOM 1574 O LEU A 101 9.258 -4.289 -0.833 1.00 62.05 O ATOM 1575 CB LEU A 101 5.900 -4.617 -1.271 1.00 41.13 C ATOM 1576 CG LEU A 101 5.932 -3.215 -0.637 1.00 42.14 C ATOM 1577 CD1 LEU A 101 6.276 -2.153 -1.677 1.00 0.04 C ATOM 1578 CD2 LEU A 101 4.598 -2.904 0.032 1.00 35.33 C ATOM 0 H LEU A 101 6.222 -6.945 -2.066 1.00 32.12 H new ATOM 0 HA LEU A 101 7.561 -4.462 -2.656 1.00 0.23 H new ATOM 0 HB2 LEU A 101 5.156 -4.619 -2.067 1.00 41.13 H new ATOM 0 HB3 LEU A 101 5.562 -5.329 -0.518 1.00 41.13 H new ATOM 0 HG LEU A 101 6.712 -3.202 0.125 1.00 42.14 H new ATOM 0 HD11 LEU A 101 6.292 -1.171 -1.203 1.00 0.04 H new ATOM 0 HD12 LEU A 101 7.256 -2.366 -2.104 1.00 0.04 H new ATOM 0 HD13 LEU A 101 5.526 -2.162 -2.468 1.00 0.04 H new ATOM 0 HD21 LEU A 101 4.637 -1.909 0.476 1.00 35.33 H new ATOM 0 HD22 LEU A 101 3.801 -2.939 -0.711 1.00 35.33 H new ATOM 0 HD23 LEU A 101 4.401 -3.641 0.811 1.00 35.33 H new ATOM 1590 N TYR A 102 8.203 -5.966 0.234 1.00 70.24 N ATOM 1591 CA TYR A 102 9.086 -5.927 1.409 1.00 33.40 C ATOM 1592 C TYR A 102 10.546 -6.251 1.058 1.00 23.01 C ATOM 1593 O TYR A 102 11.471 -5.607 1.555 1.00 51.32 O ATOM 1594 CB TYR A 102 8.595 -6.898 2.491 1.00 72.44 C ATOM 1595 CG TYR A 102 9.265 -6.673 3.834 1.00 44.13 C ATOM 1596 CD1 TYR A 102 8.881 -5.613 4.643 1.00 61.30 C ATOM 1597 CD2 TYR A 102 10.282 -7.507 4.287 1.00 32.22 C ATOM 1598 CE1 TYR A 102 9.495 -5.380 5.856 1.00 25.41 C ATOM 1599 CE2 TYR A 102 10.898 -7.283 5.503 1.00 13.11 C ATOM 1600 CZ TYR A 102 10.497 -6.220 6.286 1.00 51.35 C ATOM 1601 OH TYR A 102 11.110 -5.985 7.496 1.00 53.43 O ATOM 0 H TYR A 102 7.511 -6.715 0.252 1.00 70.24 H new ATOM 0 HA TYR A 102 9.051 -4.905 1.788 1.00 33.40 H new ATOM 0 HB2 TYR A 102 7.516 -6.791 2.606 1.00 72.44 H new ATOM 0 HB3 TYR A 102 8.780 -7.921 2.165 1.00 72.44 H new ATOM 0 HD1 TYR A 102 8.087 -4.958 4.317 1.00 61.30 H new ATOM 0 HD2 TYR A 102 10.595 -8.343 3.679 1.00 32.22 H new ATOM 0 HE1 TYR A 102 9.191 -4.542 6.466 1.00 25.41 H new ATOM 0 HE2 TYR A 102 11.689 -7.937 5.839 1.00 13.11 H new ATOM 0 HH TYR A 102 10.430 -5.802 8.177 1.00 53.43 H new ATOM 1611 N GLN A 103 10.755 -7.255 0.211 1.00 11.44 N ATOM 1612 CA GLN A 103 12.116 -7.675 -0.148 1.00 4.14 C ATOM 1613 C GLN A 103 12.678 -6.822 -1.295 1.00 21.42 C ATOM 1614 O GLN A 103 13.853 -6.939 -1.644 1.00 30.34 O ATOM 1615 CB GLN A 103 12.140 -9.163 -0.539 1.00 33.52 C ATOM 1616 CG GLN A 103 11.506 -10.094 0.493 1.00 53.22 C ATOM 1617 CD GLN A 103 12.104 -9.956 1.888 1.00 21.35 C ATOM 1618 OE1 GLN A 103 13.270 -9.611 2.053 1.00 12.21 O ATOM 1619 NE2 GLN A 103 11.310 -10.233 2.903 1.00 43.32 N ATOM 0 H GLN A 103 10.012 -7.791 -0.238 1.00 11.44 H new ATOM 0 HA GLN A 103 12.747 -7.529 0.728 1.00 4.14 H new ATOM 0 HB2 GLN A 103 11.620 -9.285 -1.489 1.00 33.52 H new ATOM 0 HB3 GLN A 103 13.174 -9.468 -0.700 1.00 33.52 H new ATOM 0 HG2 GLN A 103 10.436 -9.892 0.544 1.00 53.22 H new ATOM 0 HG3 GLN A 103 11.620 -11.125 0.158 1.00 53.22 H new ATOM 0 HE21 GLN A 103 10.345 -10.517 2.733 1.00 43.32 H new ATOM 0 HE22 GLN A 103 11.660 -10.163 3.858 1.00 43.32 H new ATOM 1628 N GLY A 104 11.839 -5.956 -1.865 1.00 45.00 N ATOM 1629 CA GLY A 104 12.259 -5.126 -2.988 1.00 32.32 C ATOM 1630 C GLY A 104 12.577 -5.937 -4.238 1.00 21.21 C ATOM 1631 O GLY A 104 13.664 -5.824 -4.809 1.00 5.30 O ATOM 0 H GLY A 104 10.873 -5.814 -1.569 1.00 45.00 H new ATOM 0 HA2 GLY A 104 11.471 -4.408 -3.217 1.00 32.32 H new ATOM 0 HA3 GLY A 104 13.140 -4.552 -2.700 1.00 32.32 H new ATOM 1635 N GLN A 105 11.624 -6.763 -4.658 1.00 3.43 N ATOM 1636 CA GLN A 105 11.805 -7.632 -5.827 1.00 21.21 C ATOM 1637 C GLN A 105 11.096 -7.056 -7.063 1.00 72.44 C ATOM 1638 O GLN A 105 11.740 -6.555 -7.985 1.00 31.31 O ATOM 1639 CB GLN A 105 11.271 -9.041 -5.524 1.00 21.41 C ATOM 1640 CG GLN A 105 11.917 -9.693 -4.304 1.00 41.14 C ATOM 1641 CD GLN A 105 11.340 -11.061 -3.983 1.00 63.32 C ATOM 1642 OE1 GLN A 105 10.177 -11.341 -4.254 1.00 4.25 O ATOM 1643 NE2 GLN A 105 12.147 -11.922 -3.394 1.00 44.02 N ATOM 0 H GLN A 105 10.713 -6.853 -4.207 1.00 3.43 H new ATOM 0 HA GLN A 105 12.872 -7.689 -6.044 1.00 21.21 H new ATOM 0 HB2 GLN A 105 10.194 -8.986 -5.368 1.00 21.41 H new ATOM 0 HB3 GLN A 105 11.435 -9.677 -6.394 1.00 21.41 H new ATOM 0 HG2 GLN A 105 12.989 -9.789 -4.476 1.00 41.14 H new ATOM 0 HG3 GLN A 105 11.790 -9.040 -3.441 1.00 41.14 H new ATOM 0 HE21 GLN A 105 13.109 -11.657 -3.183 1.00 44.02 H new ATOM 0 HE22 GLN A 105 11.809 -12.853 -3.150 1.00 44.02 H new ATOM 1652 N ASN A 106 9.766 -7.125 -7.068 1.00 72.33 N ATOM 1653 CA ASN A 106 8.959 -6.620 -8.184 1.00 11.44 C ATOM 1654 C ASN A 106 7.997 -5.523 -7.712 1.00 51.52 C ATOM 1655 O ASN A 106 6.944 -5.815 -7.139 1.00 52.42 O ATOM 1656 CB ASN A 106 8.150 -7.763 -8.805 1.00 53.12 C ATOM 1657 CG ASN A 106 9.010 -8.905 -9.315 1.00 44.42 C ATOM 1658 OD1 ASN A 106 10.106 -8.703 -9.827 1.00 45.31 O ATOM 1659 ND2 ASN A 106 8.523 -10.121 -9.155 1.00 0.01 N ATOM 0 H ASN A 106 9.219 -7.528 -6.307 1.00 72.33 H new ATOM 0 HA ASN A 106 9.637 -6.200 -8.927 1.00 11.44 H new ATOM 0 HB2 ASN A 106 7.451 -8.148 -8.063 1.00 53.12 H new ATOM 0 HB3 ASN A 106 7.555 -7.370 -9.629 1.00 53.12 H new ATOM 0 HD21 ASN A 106 9.062 -10.931 -9.461 1.00 0.01 H new ATOM 0 HD22 ASN A 106 7.607 -10.251 -8.725 1.00 0.01 H new ATOM 1666 N PHE A 107 8.349 -4.261 -7.948 1.00 51.04 N ATOM 1667 CA PHE A 107 7.501 -3.143 -7.522 1.00 30.00 C ATOM 1668 C PHE A 107 6.323 -2.927 -8.484 1.00 43.23 C ATOM 1669 O PHE A 107 5.242 -2.516 -8.065 1.00 52.14 O ATOM 1670 CB PHE A 107 8.319 -1.849 -7.396 1.00 53.32 C ATOM 1671 CG PHE A 107 7.494 -0.664 -6.949 1.00 13.13 C ATOM 1672 CD1 PHE A 107 7.088 -0.544 -5.626 1.00 63.34 C ATOM 1673 CD2 PHE A 107 7.109 0.321 -7.851 1.00 51.13 C ATOM 1674 CE1 PHE A 107 6.320 0.528 -5.217 1.00 12.42 C ATOM 1675 CE2 PHE A 107 6.343 1.395 -7.444 1.00 11.32 C ATOM 1676 CZ PHE A 107 5.947 1.498 -6.127 1.00 65.12 C ATOM 0 H PHE A 107 9.206 -3.985 -8.427 1.00 51.04 H new ATOM 0 HA PHE A 107 7.098 -3.402 -6.543 1.00 30.00 H new ATOM 0 HB2 PHE A 107 9.130 -2.007 -6.685 1.00 53.32 H new ATOM 0 HB3 PHE A 107 8.778 -1.622 -8.358 1.00 53.32 H new ATOM 0 HD1 PHE A 107 7.377 -1.298 -4.909 1.00 63.34 H new ATOM 0 HD2 PHE A 107 7.413 0.245 -8.884 1.00 51.13 H new ATOM 0 HE1 PHE A 107 6.011 0.608 -4.185 1.00 12.42 H new ATOM 0 HE2 PHE A 107 6.054 2.154 -8.156 1.00 11.32 H new ATOM 0 HZ PHE A 107 5.346 2.336 -5.807 1.00 65.12 H new ATOM 1686 N ASN A 108 6.534 -3.204 -9.770 1.00 2.50 N ATOM 1687 CA ASN A 108 5.479 -3.026 -10.778 1.00 32.25 C ATOM 1688 C ASN A 108 4.192 -3.795 -10.412 1.00 62.34 C ATOM 1689 O ASN A 108 3.087 -3.333 -10.698 1.00 62.21 O ATOM 1690 CB ASN A 108 5.979 -3.430 -12.175 1.00 15.25 C ATOM 1691 CG ASN A 108 6.627 -4.805 -12.209 1.00 44.15 C ATOM 1692 OD1 ASN A 108 6.308 -5.685 -11.417 1.00 15.24 O ATOM 1693 ND2 ASN A 108 7.551 -5.003 -13.130 1.00 13.21 N ATOM 0 H ASN A 108 7.419 -3.551 -10.141 1.00 2.50 H new ATOM 0 HA ASN A 108 5.228 -1.965 -10.795 1.00 32.25 H new ATOM 0 HB2 ASN A 108 5.141 -3.414 -12.872 1.00 15.25 H new ATOM 0 HB3 ASN A 108 6.698 -2.689 -12.524 1.00 15.25 H new ATOM 0 HD21 ASN A 108 8.020 -5.906 -13.196 1.00 13.21 H new ATOM 0 HD22 ASN A 108 7.796 -4.253 -13.776 1.00 13.21 H new ATOM 1700 N LYS A 109 4.345 -4.957 -9.772 1.00 42.31 N ATOM 1701 CA LYS A 109 3.198 -5.728 -9.266 1.00 34.33 C ATOM 1702 C LYS A 109 2.463 -4.956 -8.159 1.00 10.22 C ATOM 1703 O LYS A 109 1.238 -5.012 -8.044 1.00 61.24 O ATOM 1704 CB LYS A 109 3.670 -7.080 -8.714 1.00 34.35 C ATOM 1705 CG LYS A 109 4.418 -7.941 -9.723 1.00 52.15 C ATOM 1706 CD LYS A 109 5.036 -9.167 -9.057 1.00 33.15 C ATOM 1707 CE LYS A 109 3.992 -10.159 -8.569 1.00 32.20 C ATOM 1708 NZ LYS A 109 4.609 -11.258 -7.782 1.00 14.54 N ATOM 0 H LYS A 109 5.251 -5.388 -9.590 1.00 42.31 H new ATOM 0 HA LYS A 109 2.511 -5.892 -10.097 1.00 34.33 H new ATOM 0 HB2 LYS A 109 4.317 -6.903 -7.855 1.00 34.35 H new ATOM 0 HB3 LYS A 109 2.804 -7.634 -8.352 1.00 34.35 H new ATOM 0 HG2 LYS A 109 3.735 -8.258 -10.511 1.00 52.15 H new ATOM 0 HG3 LYS A 109 5.201 -7.350 -10.199 1.00 52.15 H new ATOM 0 HD2 LYS A 109 5.700 -9.663 -9.764 1.00 33.15 H new ATOM 0 HD3 LYS A 109 5.649 -8.847 -8.214 1.00 33.15 H new ATOM 0 HE2 LYS A 109 3.255 -9.641 -7.956 1.00 32.20 H new ATOM 0 HE3 LYS A 109 3.459 -10.577 -9.423 1.00 32.20 H new ATOM 0 HZ1 LYS A 109 4.126 -12.153 -7.999 1.00 14.54 H new ATOM 0 HZ2 LYS A 109 5.616 -11.339 -8.029 1.00 14.54 H new ATOM 0 HZ3 LYS A 109 4.517 -11.052 -6.767 1.00 14.54 H new ATOM 1722 N VAL A 110 3.232 -4.247 -7.339 1.00 61.45 N ATOM 1723 CA VAL A 110 2.671 -3.434 -6.259 1.00 13.33 C ATOM 1724 C VAL A 110 1.941 -2.208 -6.826 1.00 51.42 C ATOM 1725 O VAL A 110 0.794 -1.931 -6.477 1.00 25.02 O ATOM 1726 CB VAL A 110 3.778 -2.957 -5.284 1.00 4.31 C ATOM 1727 CG1 VAL A 110 3.183 -2.178 -4.111 1.00 35.33 C ATOM 1728 CG2 VAL A 110 4.607 -4.140 -4.790 1.00 11.01 C ATOM 0 H VAL A 110 4.250 -4.217 -7.400 1.00 61.45 H new ATOM 0 HA VAL A 110 1.964 -4.060 -5.715 1.00 13.33 H new ATOM 0 HB VAL A 110 4.438 -2.282 -5.828 1.00 4.31 H new ATOM 0 HG11 VAL A 110 3.983 -1.857 -3.444 1.00 35.33 H new ATOM 0 HG12 VAL A 110 2.651 -1.304 -4.487 1.00 35.33 H new ATOM 0 HG13 VAL A 110 2.490 -2.817 -3.564 1.00 35.33 H new ATOM 0 HG21 VAL A 110 5.378 -3.784 -4.107 1.00 11.01 H new ATOM 0 HG22 VAL A 110 3.960 -4.846 -4.270 1.00 11.01 H new ATOM 0 HG23 VAL A 110 5.076 -4.636 -5.640 1.00 11.01 H new ATOM 1738 N LEU A 111 2.619 -1.493 -7.718 1.00 35.32 N ATOM 1739 CA LEU A 111 2.073 -0.276 -8.324 1.00 2.12 C ATOM 1740 C LEU A 111 0.806 -0.569 -9.149 1.00 10.44 C ATOM 1741 O LEU A 111 -0.167 0.180 -9.085 1.00 14.10 O ATOM 1742 CB LEU A 111 3.141 0.394 -9.203 1.00 14.54 C ATOM 1743 CG LEU A 111 2.784 1.797 -9.725 1.00 21.30 C ATOM 1744 CD1 LEU A 111 2.543 2.762 -8.565 1.00 11.42 C ATOM 1745 CD2 LEU A 111 3.888 2.322 -10.643 1.00 71.55 C ATOM 0 H LEU A 111 3.555 -1.735 -8.042 1.00 35.32 H new ATOM 0 HA LEU A 111 1.789 0.402 -7.519 1.00 2.12 H new ATOM 0 HB2 LEU A 111 4.066 0.463 -8.631 1.00 14.54 H new ATOM 0 HB3 LEU A 111 3.341 -0.252 -10.057 1.00 14.54 H new ATOM 0 HG LEU A 111 1.862 1.724 -10.301 1.00 21.30 H new ATOM 0 HD11 LEU A 111 2.292 3.747 -8.958 1.00 11.42 H new ATOM 0 HD12 LEU A 111 1.720 2.395 -7.952 1.00 11.42 H new ATOM 0 HD13 LEU A 111 3.445 2.832 -7.957 1.00 11.42 H new ATOM 0 HD21 LEU A 111 3.620 3.315 -11.003 1.00 71.55 H new ATOM 0 HD22 LEU A 111 4.825 2.378 -10.090 1.00 71.55 H new ATOM 0 HD23 LEU A 111 4.007 1.648 -11.491 1.00 71.55 H new ATOM 1757 N SER A 112 0.815 -1.666 -9.910 1.00 52.11 N ATOM 1758 CA SER A 112 -0.356 -2.064 -10.714 1.00 55.41 C ATOM 1759 C SER A 112 -1.576 -2.323 -9.821 1.00 31.21 C ATOM 1760 O SER A 112 -2.701 -1.921 -10.142 1.00 44.12 O ATOM 1761 CB SER A 112 -0.042 -3.323 -11.532 1.00 42.34 C ATOM 1762 OG SER A 112 0.306 -4.408 -10.687 1.00 43.41 O ATOM 0 H SER A 112 1.613 -2.296 -9.990 1.00 52.11 H new ATOM 0 HA SER A 112 -0.588 -1.242 -11.392 1.00 55.41 H new ATOM 0 HB2 SER A 112 -0.908 -3.592 -12.137 1.00 42.34 H new ATOM 0 HB3 SER A 112 0.777 -3.118 -12.221 1.00 42.34 H new ATOM 0 HG SER A 112 1.235 -4.308 -10.392 1.00 43.41 H new ATOM 1768 N SER A 113 -1.346 -2.998 -8.695 1.00 5.44 N ATOM 1769 CA SER A 113 -2.404 -3.247 -7.710 1.00 44.12 C ATOM 1770 C SER A 113 -2.926 -1.929 -7.115 1.00 52.14 C ATOM 1771 O SER A 113 -4.134 -1.734 -6.968 1.00 21.31 O ATOM 1772 CB SER A 113 -1.889 -4.161 -6.589 1.00 45.11 C ATOM 1773 OG SER A 113 -2.931 -4.533 -5.699 1.00 43.13 O ATOM 0 H SER A 113 -0.437 -3.383 -8.440 1.00 5.44 H new ATOM 0 HA SER A 113 -3.228 -3.743 -8.222 1.00 44.12 H new ATOM 0 HB2 SER A 113 -1.444 -5.056 -7.024 1.00 45.11 H new ATOM 0 HB3 SER A 113 -1.101 -3.650 -6.035 1.00 45.11 H new ATOM 0 HG SER A 113 -3.525 -5.175 -6.141 1.00 43.13 H new ATOM 1779 N LEU A 114 -2.004 -1.020 -6.786 1.00 12.23 N ATOM 1780 CA LEU A 114 -2.362 0.297 -6.238 1.00 41.21 C ATOM 1781 C LEU A 114 -3.176 1.130 -7.245 1.00 22.32 C ATOM 1782 O LEU A 114 -4.175 1.754 -6.884 1.00 70.43 O ATOM 1783 CB LEU A 114 -1.097 1.063 -5.827 1.00 24.03 C ATOM 1784 CG LEU A 114 -0.269 0.417 -4.703 1.00 13.23 C ATOM 1785 CD1 LEU A 114 1.008 1.211 -4.446 1.00 50.51 C ATOM 1786 CD2 LEU A 114 -1.098 0.290 -3.425 1.00 40.44 C ATOM 0 H LEU A 114 -1.000 -1.170 -6.889 1.00 12.23 H new ATOM 0 HA LEU A 114 -2.986 0.130 -5.360 1.00 41.21 H new ATOM 0 HB2 LEU A 114 -0.460 1.176 -6.705 1.00 24.03 H new ATOM 0 HB3 LEU A 114 -1.386 2.065 -5.512 1.00 24.03 H new ATOM 0 HG LEU A 114 0.016 -0.585 -5.023 1.00 13.23 H new ATOM 0 HD11 LEU A 114 1.577 0.736 -3.647 1.00 50.51 H new ATOM 0 HD12 LEU A 114 1.609 1.237 -5.355 1.00 50.51 H new ATOM 0 HD13 LEU A 114 0.751 2.229 -4.152 1.00 50.51 H new ATOM 0 HD21 LEU A 114 -0.493 -0.169 -2.643 1.00 40.44 H new ATOM 0 HD22 LEU A 114 -1.420 1.279 -3.100 1.00 40.44 H new ATOM 0 HD23 LEU A 114 -1.973 -0.331 -3.619 1.00 40.44 H new ATOM 1798 N VAL A 115 -2.746 1.137 -8.509 1.00 43.32 N ATOM 1799 CA VAL A 115 -3.474 1.837 -9.572 1.00 1.33 C ATOM 1800 C VAL A 115 -4.893 1.266 -9.731 1.00 11.02 C ATOM 1801 O VAL A 115 -5.868 2.013 -9.820 1.00 64.43 O ATOM 1802 CB VAL A 115 -2.721 1.764 -10.928 1.00 33.33 C ATOM 1803 CG1 VAL A 115 -3.555 2.382 -12.051 1.00 20.44 C ATOM 1804 CG2 VAL A 115 -1.359 2.454 -10.822 1.00 25.02 C ATOM 0 H VAL A 115 -1.897 0.666 -8.822 1.00 43.32 H new ATOM 0 HA VAL A 115 -3.543 2.884 -9.278 1.00 1.33 H new ATOM 0 HB VAL A 115 -2.558 0.714 -11.170 1.00 33.33 H new ATOM 0 HG11 VAL A 115 -3.005 2.318 -12.990 1.00 20.44 H new ATOM 0 HG12 VAL A 115 -4.497 1.841 -12.145 1.00 20.44 H new ATOM 0 HG13 VAL A 115 -3.758 3.428 -11.820 1.00 20.44 H new ATOM 0 HG21 VAL A 115 -0.845 2.393 -11.781 1.00 25.02 H new ATOM 0 HG22 VAL A 115 -1.501 3.500 -10.552 1.00 25.02 H new ATOM 0 HG23 VAL A 115 -0.760 1.960 -10.057 1.00 25.02 H new ATOM 1814 N THR A 116 -5.005 -0.062 -9.750 1.00 12.40 N ATOM 1815 CA THR A 116 -6.319 -0.721 -9.787 1.00 55.13 C ATOM 1816 C THR A 116 -7.158 -0.329 -8.566 1.00 43.03 C ATOM 1817 O THR A 116 -8.357 -0.070 -8.676 1.00 75.33 O ATOM 1818 CB THR A 116 -6.195 -2.263 -9.832 1.00 75.14 C ATOM 1819 OG1 THR A 116 -5.480 -2.666 -11.012 1.00 53.01 O ATOM 1820 CG2 THR A 116 -7.572 -2.928 -9.816 1.00 15.45 C ATOM 0 H THR A 116 -4.211 -0.702 -9.741 1.00 12.40 H new ATOM 0 HA THR A 116 -6.810 -0.384 -10.700 1.00 55.13 H new ATOM 0 HB THR A 116 -5.647 -2.582 -8.945 1.00 75.14 H new ATOM 0 HG1 THR A 116 -4.522 -2.499 -10.887 1.00 53.01 H new ATOM 0 HG21 THR A 116 -7.453 -4.011 -9.848 1.00 15.45 H new ATOM 0 HG22 THR A 116 -8.101 -2.648 -8.905 1.00 15.45 H new ATOM 0 HG23 THR A 116 -8.145 -2.600 -10.683 1.00 15.45 H new ATOM 1828 N LEU A 117 -6.508 -0.284 -7.405 1.00 32.32 N ATOM 1829 CA LEU A 117 -7.152 0.151 -6.162 1.00 33.30 C ATOM 1830 C LEU A 117 -7.672 1.596 -6.289 1.00 41.34 C ATOM 1831 O LEU A 117 -8.745 1.931 -5.785 1.00 13.32 O ATOM 1832 CB LEU A 117 -6.157 0.033 -4.996 1.00 31.14 C ATOM 1833 CG LEU A 117 -6.712 0.382 -3.605 1.00 5.20 C ATOM 1834 CD1 LEU A 117 -7.866 -0.541 -3.232 1.00 70.32 C ATOM 1835 CD2 LEU A 117 -5.607 0.315 -2.552 1.00 21.51 C ATOM 0 H LEU A 117 -5.528 -0.545 -7.297 1.00 32.32 H new ATOM 0 HA LEU A 117 -8.008 -0.494 -5.965 1.00 33.30 H new ATOM 0 HB2 LEU A 117 -5.777 -0.988 -4.969 1.00 31.14 H new ATOM 0 HB3 LEU A 117 -5.307 0.684 -5.201 1.00 31.14 H new ATOM 0 HG LEU A 117 -7.093 1.403 -3.639 1.00 5.20 H new ATOM 0 HD11 LEU A 117 -8.241 -0.274 -2.244 1.00 70.32 H new ATOM 0 HD12 LEU A 117 -8.667 -0.437 -3.964 1.00 70.32 H new ATOM 0 HD13 LEU A 117 -7.517 -1.574 -3.220 1.00 70.32 H new ATOM 0 HD21 LEU A 117 -6.020 0.565 -1.575 1.00 21.51 H new ATOM 0 HD22 LEU A 117 -5.192 -0.693 -2.523 1.00 21.51 H new ATOM 0 HD23 LEU A 117 -4.819 1.025 -2.805 1.00 21.51 H new ATOM 1847 N ASN A 118 -6.908 2.442 -6.974 1.00 24.41 N ATOM 1848 CA ASN A 118 -7.327 3.821 -7.256 1.00 44.41 C ATOM 1849 C ASN A 118 -8.487 3.852 -8.270 1.00 51.24 C ATOM 1850 O ASN A 118 -9.384 4.685 -8.176 1.00 53.42 O ATOM 1851 CB ASN A 118 -6.133 4.638 -7.772 1.00 31.20 C ATOM 1852 CG ASN A 118 -6.490 6.079 -8.101 1.00 31.03 C ATOM 1853 OD1 ASN A 118 -6.813 6.412 -9.239 1.00 43.25 O ATOM 1854 ND2 ASN A 118 -6.438 6.950 -7.109 1.00 21.44 N ATOM 0 H ASN A 118 -5.990 2.200 -7.348 1.00 24.41 H new ATOM 0 HA ASN A 118 -7.685 4.268 -6.329 1.00 44.41 H new ATOM 0 HB2 ASN A 118 -5.343 4.629 -7.021 1.00 31.20 H new ATOM 0 HB3 ASN A 118 -5.731 4.158 -8.664 1.00 31.20 H new ATOM 0 HD21 ASN A 118 -6.670 7.929 -7.277 1.00 21.44 H new ATOM 0 HD22 ASN A 118 -6.166 6.643 -6.175 1.00 21.44 H new ATOM 1861 N LYS A 119 -8.464 2.931 -9.233 1.00 72.45 N ATOM 1862 CA LYS A 119 -9.527 2.826 -10.241 1.00 15.24 C ATOM 1863 C LYS A 119 -10.878 2.434 -9.613 1.00 71.41 C ATOM 1864 O LYS A 119 -11.892 3.108 -9.813 1.00 41.21 O ATOM 1865 CB LYS A 119 -9.142 1.794 -11.313 1.00 50.45 C ATOM 1866 CG LYS A 119 -7.973 2.219 -12.198 1.00 5.31 C ATOM 1867 CD LYS A 119 -7.584 1.132 -13.201 1.00 34.14 C ATOM 1868 CE LYS A 119 -8.759 0.716 -14.088 1.00 12.54 C ATOM 1869 NZ LYS A 119 -9.335 1.868 -14.834 1.00 63.03 N ATOM 0 H LYS A 119 -7.719 2.243 -9.339 1.00 72.45 H new ATOM 0 HA LYS A 119 -9.639 3.809 -10.697 1.00 15.24 H new ATOM 0 HB2 LYS A 119 -8.889 0.854 -10.822 1.00 50.45 H new ATOM 0 HB3 LYS A 119 -10.010 1.601 -11.944 1.00 50.45 H new ATOM 0 HG2 LYS A 119 -8.239 3.129 -12.736 1.00 5.31 H new ATOM 0 HG3 LYS A 119 -7.113 2.458 -11.572 1.00 5.31 H new ATOM 0 HD2 LYS A 119 -6.768 1.493 -13.827 1.00 34.14 H new ATOM 0 HD3 LYS A 119 -7.211 0.261 -12.663 1.00 34.14 H new ATOM 0 HE2 LYS A 119 -8.427 -0.044 -14.796 1.00 12.54 H new ATOM 0 HE3 LYS A 119 -9.534 0.260 -13.472 1.00 12.54 H new ATOM 0 HZ1 LYS A 119 -10.059 1.525 -15.497 1.00 63.03 H new ATOM 0 HZ2 LYS A 119 -9.767 2.535 -14.163 1.00 63.03 H new ATOM 0 HZ3 LYS A 119 -8.581 2.350 -15.364 1.00 63.03 H new ATOM 1883 N VAL A 120 -10.887 1.334 -8.861 1.00 53.25 N ATOM 1884 CA VAL A 120 -12.120 0.827 -8.239 1.00 5.11 C ATOM 1885 C VAL A 120 -12.714 1.826 -7.230 1.00 62.44 C ATOM 1886 O VAL A 120 -13.931 1.888 -7.044 1.00 53.20 O ATOM 1887 CB VAL A 120 -11.881 -0.537 -7.540 1.00 72.44 C ATOM 1888 CG1 VAL A 120 -11.492 -1.605 -8.562 1.00 32.02 C ATOM 1889 CG2 VAL A 120 -10.814 -0.415 -6.453 1.00 23.44 C ATOM 0 H VAL A 120 -10.057 0.774 -8.665 1.00 53.25 H new ATOM 0 HA VAL A 120 -12.838 0.692 -9.048 1.00 5.11 H new ATOM 0 HB VAL A 120 -12.813 -0.841 -7.064 1.00 72.44 H new ATOM 0 HG11 VAL A 120 -11.329 -2.554 -8.052 1.00 32.02 H new ATOM 0 HG12 VAL A 120 -12.293 -1.719 -9.292 1.00 32.02 H new ATOM 0 HG13 VAL A 120 -10.576 -1.305 -9.072 1.00 32.02 H new ATOM 0 HG21 VAL A 120 -10.665 -1.385 -5.978 1.00 23.44 H new ATOM 0 HG22 VAL A 120 -9.877 -0.082 -6.899 1.00 23.44 H new ATOM 0 HG23 VAL A 120 -11.138 0.309 -5.705 1.00 23.44 H new ATOM 1899 N THR A 121 -11.850 2.611 -6.587 1.00 1.02 N ATOM 1900 CA THR A 121 -12.298 3.629 -5.627 1.00 74.21 C ATOM 1901 C THR A 121 -12.727 4.922 -6.331 1.00 3.13 C ATOM 1902 O THR A 121 -13.652 5.598 -5.882 1.00 1.13 O ATOM 1903 CB THR A 121 -11.207 3.953 -4.584 1.00 34.12 C ATOM 1904 OG1 THR A 121 -10.011 4.408 -5.235 1.00 51.21 O ATOM 1905 CG2 THR A 121 -10.900 2.726 -3.732 1.00 43.20 C ATOM 0 H THR A 121 -10.839 2.565 -6.710 1.00 1.02 H new ATOM 0 HA THR A 121 -13.160 3.205 -5.112 1.00 74.21 H new ATOM 0 HB THR A 121 -11.579 4.746 -3.936 1.00 34.12 H new ATOM 0 HG1 THR A 121 -9.469 3.636 -5.501 1.00 51.21 H new ATOM 0 HG21 THR A 121 -10.129 2.973 -3.002 1.00 43.20 H new ATOM 0 HG22 THR A 121 -11.804 2.409 -3.211 1.00 43.20 H new ATOM 0 HG23 THR A 121 -10.548 1.917 -4.372 1.00 43.20 H new ATOM 1913 N ALA A 122 -12.061 5.261 -7.438 1.00 3.31 N ATOM 1914 CA ALA A 122 -12.496 6.375 -8.293 1.00 42.32 C ATOM 1915 C ALA A 122 -13.918 6.123 -8.824 1.00 72.23 C ATOM 1916 O ALA A 122 -14.677 7.056 -9.095 1.00 45.44 O ATOM 1917 CB ALA A 122 -11.523 6.576 -9.451 1.00 63.51 C ATOM 0 H ALA A 122 -11.221 4.783 -7.765 1.00 3.31 H new ATOM 0 HA ALA A 122 -12.507 7.284 -7.692 1.00 42.32 H new ATOM 0 HB1 ALA A 122 -11.863 7.405 -10.072 1.00 63.51 H new ATOM 0 HB2 ALA A 122 -10.531 6.800 -9.058 1.00 63.51 H new ATOM 0 HB3 ALA A 122 -11.479 5.667 -10.051 1.00 63.51 H new ATOM 1923 N ASP A 123 -14.262 4.846 -8.980 1.00 23.41 N ATOM 1924 CA ASP A 123 -15.625 4.444 -9.329 1.00 12.04 C ATOM 1925 C ASP A 123 -16.595 4.720 -8.162 1.00 13.44 C ATOM 1926 O ASP A 123 -17.726 5.164 -8.369 1.00 43.14 O ATOM 1927 CB ASP A 123 -15.645 2.958 -9.706 1.00 2.52 C ATOM 1928 CG ASP A 123 -17.043 2.452 -10.012 1.00 21.23 C ATOM 1929 OD1 ASP A 123 -17.542 2.702 -11.128 1.00 51.03 O ATOM 1930 OD2 ASP A 123 -17.655 1.816 -9.130 1.00 51.45 O ATOM 0 H ASP A 123 -13.612 4.067 -8.870 1.00 23.41 H new ATOM 0 HA ASP A 123 -15.956 5.033 -10.185 1.00 12.04 H new ATOM 0 HB2 ASP A 123 -15.007 2.799 -10.575 1.00 2.52 H new ATOM 0 HB3 ASP A 123 -15.222 2.374 -8.889 1.00 2.52 H new ATOM 1935 N ILE A 124 -16.141 4.455 -6.937 1.00 4.14 N ATOM 1936 CA ILE A 124 -16.949 4.701 -5.732 1.00 4.22 C ATOM 1937 C ILE A 124 -17.135 6.208 -5.470 1.00 2.02 C ATOM 1938 O ILE A 124 -18.208 6.652 -5.052 1.00 4.32 O ATOM 1939 CB ILE A 124 -16.298 4.045 -4.484 1.00 1.14 C ATOM 1940 CG1 ILE A 124 -16.127 2.531 -4.701 1.00 34.24 C ATOM 1941 CG2 ILE A 124 -17.126 4.320 -3.224 1.00 31.30 C ATOM 1942 CD1 ILE A 124 -15.420 1.821 -3.563 1.00 11.15 C ATOM 0 H ILE A 124 -15.216 4.069 -6.748 1.00 4.14 H new ATOM 0 HA ILE A 124 -17.927 4.253 -5.911 1.00 4.22 H new ATOM 0 HB ILE A 124 -15.313 4.489 -4.342 1.00 1.14 H new ATOM 0 HG12 ILE A 124 -17.110 2.081 -4.842 1.00 34.24 H new ATOM 0 HG13 ILE A 124 -15.567 2.367 -5.622 1.00 34.24 H new ATOM 0 HG21 ILE A 124 -16.648 3.850 -2.365 1.00 31.30 H new ATOM 0 HG22 ILE A 124 -17.191 5.395 -3.059 1.00 31.30 H new ATOM 0 HG23 ILE A 124 -18.128 3.911 -3.351 1.00 31.30 H new ATOM 0 HD11 ILE A 124 -15.339 0.758 -3.792 1.00 11.15 H new ATOM 0 HD12 ILE A 124 -14.423 2.242 -3.435 1.00 11.15 H new ATOM 0 HD13 ILE A 124 -15.990 1.951 -2.643 1.00 11.15 H new ATOM 1954 N GLY A 125 -16.087 6.987 -5.730 1.00 43.45 N ATOM 1955 CA GLY A 125 -16.138 8.430 -5.505 1.00 11.32 C ATOM 1956 C GLY A 125 -15.329 8.872 -4.287 1.00 75.22 C ATOM 1957 O GLY A 125 -15.843 8.892 -3.166 1.00 4.41 O ATOM 0 H GLY A 125 -15.197 6.646 -6.094 1.00 43.45 H new ATOM 0 HA2 GLY A 125 -15.762 8.944 -6.390 1.00 11.32 H new ATOM 0 HA3 GLY A 125 -17.176 8.736 -5.375 1.00 11.32 H new ATOM 1961 N LEU A 126 -14.060 9.223 -4.506 1.00 70.52 N ATOM 1962 CA LEU A 126 -13.165 9.660 -3.419 1.00 73.32 C ATOM 1963 C LEU A 126 -13.542 11.057 -2.881 1.00 41.41 C ATOM 1964 O LEU A 126 -13.269 12.068 -3.574 1.00 36.63 O ATOM 1965 CB LEU A 126 -11.704 9.659 -3.899 1.00 4.42 C ATOM 1966 CG LEU A 126 -11.140 8.283 -4.290 1.00 63.22 C ATOM 1967 CD1 LEU A 126 -9.712 8.413 -4.814 1.00 61.33 C ATOM 1968 CD2 LEU A 126 -11.197 7.321 -3.102 1.00 22.33 C ATOM 1969 OXT LEU A 126 -14.084 11.142 -1.758 1.00 36.63 O ATOM 0 H LEU A 126 -13.623 9.215 -5.428 1.00 70.52 H new ATOM 0 HA LEU A 126 -13.280 8.950 -2.600 1.00 73.32 H new ATOM 0 HB2 LEU A 126 -11.621 10.324 -4.758 1.00 4.42 H new ATOM 0 HB3 LEU A 126 -11.080 10.078 -3.110 1.00 4.42 H new ATOM 0 HG LEU A 126 -11.758 7.875 -5.090 1.00 63.22 H new ATOM 0 HD11 LEU A 126 -9.333 7.428 -5.085 1.00 61.33 H new ATOM 0 HD12 LEU A 126 -9.704 9.059 -5.692 1.00 61.33 H new ATOM 0 HD13 LEU A 126 -9.078 8.846 -4.040 1.00 61.33 H new ATOM 0 HD21 LEU A 126 -10.794 6.353 -3.398 1.00 22.33 H new ATOM 0 HD22 LEU A 126 -10.606 7.724 -2.279 1.00 22.33 H new ATOM 0 HD23 LEU A 126 -12.232 7.200 -2.781 1.00 22.33 H new TER 1981 LEU A 126