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 -108:sc= -2.75! USER MOD Set 1.2: A 102 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 10 HIS :FLIP no HD1:sc= 0.2 F(o=-1.9,f=0.39) USER MOD Set 2.2: A 13 SER OG : rot 180:sc= 0.191 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 126:sc= 0.0538 (180deg=-0.13) USER MOD Single : A 3 HIS : no HD1:sc= -0.435 K(o=-0.43,f=-0.99) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.198 X(o=-0.2,f=-0.18) USER MOD Single : A 7 HIS : no HE2:sc= 0.374 K(o=0.37,f=-4.1!) USER MOD Single : A 8 HIS : no HD1:sc= -0.0166 X(o=-0.017,f=-0.017) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0.482 X(o=0.48,f=-0.0069) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 83:sc= 1.28 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= -0.21 USER MOD Single : A 31 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0619) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 90:sc= 0.708 USER MOD Single : A 42 GLN :FLIP amide:sc= -0.78 F(o=-1.6,f=-0.78) USER MOD Single : A 44 SER OG : rot 79:sc= 1.2 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 CYS SG : rot 60:sc= -1.01 USER MOD Single : A 62 THR OG1 : rot 89:sc= 0.827 USER MOD Single : A 65 LYS NZ :NH3+ 163:sc= -0.0944 (180deg=-0.459) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 150:sc=-0.00874 USER MOD Single : A 79 ASN : amide:sc= 1.17 K(o=1.2,f=-9.2!) USER MOD Single : A 87 CYS SG : rot 160:sc= 0.436 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0.895 K(o=0.9,f=0) USER MOD Single : A 103 GLN : amide:sc= -0.27 X(o=-0.27,f=-0.59) USER MOD Single : A 105 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.12) USER MOD Single : A 106 ASN : amide:sc= -0.0397 K(o=-0.04,f=-4!) USER MOD Single : A 108 ASN : amide:sc= -0.174 K(o=-0.17,f=-6.1!) USER MOD Single : A 109 LYS NZ :NH3+ -147:sc= 1.24 (180deg=1.16) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 97:sc= 0.444 USER MOD Single : A 116 THR OG1 : rot 73:sc= 0.119 USER MOD Single : A 118 ASN : amide:sc= 1.01 K(o=1,f=-0.022) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 THR OG1 : rot -83:sc= 0.623 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.493 19.901 -18.728 1.00 33.32 N ATOM 2 CA MET A 1 4.008 19.955 -18.821 1.00 2.41 C ATOM 3 C MET A 1 3.556 20.355 -20.233 1.00 14.14 C ATOM 4 O MET A 1 4.383 20.651 -21.097 1.00 2.13 O ATOM 5 CB MET A 1 3.451 20.951 -17.795 1.00 75.42 C ATOM 6 CG MET A 1 3.853 22.398 -18.056 1.00 54.32 C ATOM 7 SD MET A 1 3.313 23.518 -16.751 1.00 15.40 S ATOM 8 CE MET A 1 3.850 25.090 -17.421 1.00 3.14 C ATOM 0 H1 MET A 1 5.814 20.500 -17.940 1.00 33.32 H new ATOM 0 H2 MET A 1 5.795 18.920 -18.562 1.00 33.32 H new ATOM 0 H3 MET A 1 5.909 20.246 -19.617 1.00 33.32 H new ATOM 0 HA MET A 1 3.620 18.959 -18.606 1.00 2.41 H new ATOM 0 HB2 MET A 1 2.363 20.882 -17.790 1.00 75.42 H new ATOM 0 HB3 MET A 1 3.793 20.663 -16.801 1.00 75.42 H new ATOM 0 HG2 MET A 1 4.937 22.457 -18.154 1.00 54.32 H new ATOM 0 HG3 MET A 1 3.429 22.723 -19.006 1.00 54.32 H new ATOM 0 HE1 MET A 1 3.588 25.889 -16.728 1.00 3.14 H new ATOM 0 HE2 MET A 1 4.930 25.074 -17.565 1.00 3.14 H new ATOM 0 HE3 MET A 1 3.359 25.264 -18.378 1.00 3.14 H new ATOM 20 N GLY A 2 2.242 20.363 -20.462 1.00 32.24 N ATOM 21 CA GLY A 2 1.708 20.811 -21.744 1.00 61.44 C ATOM 22 C GLY A 2 1.464 19.683 -22.740 1.00 61.22 C ATOM 23 O GLY A 2 1.584 18.503 -22.412 1.00 41.21 O ATOM 0 H GLY A 2 1.538 20.068 -19.785 1.00 32.24 H new ATOM 0 HA2 GLY A 2 0.770 21.339 -21.571 1.00 61.44 H new ATOM 0 HA3 GLY A 2 2.401 21.528 -22.185 1.00 61.44 H new ATOM 27 N HIS A 3 1.127 20.060 -23.970 1.00 71.23 N ATOM 28 CA HIS A 3 0.812 19.102 -25.032 1.00 51.11 C ATOM 29 C HIS A 3 1.957 19.007 -26.061 1.00 54.04 C ATOM 30 O HIS A 3 1.809 18.393 -27.121 1.00 22.11 O ATOM 31 CB HIS A 3 -0.495 19.532 -25.719 1.00 3.24 C ATOM 32 CG HIS A 3 -1.050 18.524 -26.682 1.00 24.22 C ATOM 33 ND1 HIS A 3 -0.864 18.598 -28.045 1.00 24.01 N ATOM 34 CD2 HIS A 3 -1.798 17.416 -26.471 1.00 62.32 C ATOM 35 CE1 HIS A 3 -1.473 17.586 -28.630 1.00 63.44 C ATOM 36 NE2 HIS A 3 -2.046 16.854 -27.699 1.00 72.43 N ATOM 0 H HIS A 3 1.064 21.036 -24.261 1.00 71.23 H new ATOM 0 HA HIS A 3 0.690 18.113 -24.591 1.00 51.11 H new ATOM 0 HB2 HIS A 3 -1.244 19.736 -24.953 1.00 3.24 H new ATOM 0 HB3 HIS A 3 -0.321 20.467 -26.251 1.00 3.24 H new ATOM 0 HD2 HIS A 3 -2.137 17.044 -25.515 1.00 62.32 H new ATOM 0 HE1 HIS A 3 -1.497 17.391 -29.692 1.00 63.44 H new ATOM 0 HE2 HIS A 3 -2.587 16.005 -27.863 1.00 72.43 H new ATOM 45 N HIS A 4 3.108 19.592 -25.735 1.00 65.12 N ATOM 46 CA HIS A 4 4.250 19.632 -26.660 1.00 71.44 C ATOM 47 C HIS A 4 4.867 18.234 -26.860 1.00 65.33 C ATOM 48 O HIS A 4 4.637 17.584 -27.883 1.00 53.45 O ATOM 49 CB HIS A 4 5.318 20.613 -26.149 1.00 73.30 C ATOM 50 CG HIS A 4 4.826 22.022 -25.999 1.00 12.32 C ATOM 51 ND1 HIS A 4 4.793 22.691 -24.793 1.00 25.21 N ATOM 52 CD2 HIS A 4 4.356 22.896 -26.918 1.00 75.11 C ATOM 53 CE1 HIS A 4 4.324 23.907 -24.978 1.00 54.54 C ATOM 54 NE2 HIS A 4 4.053 24.060 -26.257 1.00 14.41 N ATOM 0 H HIS A 4 3.279 20.046 -24.838 1.00 65.12 H new ATOM 0 HA HIS A 4 3.880 19.976 -27.626 1.00 71.44 H new ATOM 0 HB2 HIS A 4 5.688 20.263 -25.185 1.00 73.30 H new ATOM 0 HB3 HIS A 4 6.164 20.605 -26.837 1.00 73.30 H new ATOM 0 HD2 HIS A 4 4.241 22.712 -27.976 1.00 75.11 H new ATOM 0 HE1 HIS A 4 4.185 24.653 -24.210 1.00 54.54 H new ATOM 0 HE2 HIS A 4 3.679 24.906 -26.687 1.00 14.41 H new ATOM 63 N HIS A 5 5.639 17.778 -25.875 1.00 41.03 N ATOM 64 CA HIS A 5 6.274 16.454 -25.923 1.00 71.31 C ATOM 65 C HIS A 5 5.792 15.567 -24.763 1.00 40.55 C ATOM 66 O HIS A 5 5.373 16.072 -23.718 1.00 21.23 O ATOM 67 CB HIS A 5 7.802 16.595 -25.883 1.00 61.51 C ATOM 68 CG HIS A 5 8.352 17.393 -27.025 1.00 51.44 C ATOM 69 ND1 HIS A 5 8.722 18.717 -26.915 1.00 62.02 N ATOM 70 CD2 HIS A 5 8.595 17.048 -28.313 1.00 10.14 C ATOM 71 CE1 HIS A 5 9.162 19.148 -28.077 1.00 74.42 C ATOM 72 NE2 HIS A 5 9.096 18.157 -28.941 1.00 31.12 N ATOM 0 H HIS A 5 5.843 18.307 -25.027 1.00 41.03 H new ATOM 0 HA HIS A 5 5.986 15.975 -26.859 1.00 71.31 H new ATOM 0 HB2 HIS A 5 8.092 17.068 -24.945 1.00 61.51 H new ATOM 0 HB3 HIS A 5 8.252 15.602 -25.892 1.00 61.51 H new ATOM 0 HD2 HIS A 5 8.425 16.080 -28.760 1.00 10.14 H new ATOM 0 HE1 HIS A 5 9.517 20.146 -28.287 1.00 74.42 H new ATOM 0 HE2 HIS A 5 9.374 18.207 -29.921 1.00 31.12 H new ATOM 81 N HIS A 6 5.852 14.247 -24.966 1.00 41.22 N ATOM 82 CA HIS A 6 5.345 13.263 -23.992 1.00 4.20 C ATOM 83 C HIS A 6 3.818 13.401 -23.806 1.00 14.34 C ATOM 84 O HIS A 6 3.237 12.869 -22.858 1.00 22.30 O ATOM 85 CB HIS A 6 6.082 13.405 -22.646 1.00 3.00 C ATOM 86 CG HIS A 6 5.863 12.256 -21.706 1.00 1.01 C ATOM 87 ND1 HIS A 6 5.299 12.396 -20.458 1.00 54.32 N ATOM 88 CD2 HIS A 6 6.152 10.940 -21.836 1.00 55.55 C ATOM 89 CE1 HIS A 6 5.252 11.223 -19.863 1.00 53.32 C ATOM 90 NE2 HIS A 6 5.762 10.321 -20.675 1.00 21.50 N ATOM 0 H HIS A 6 6.251 13.827 -25.806 1.00 41.22 H new ATOM 0 HA HIS A 6 5.541 12.265 -24.384 1.00 4.20 H new ATOM 0 HB2 HIS A 6 7.150 13.506 -22.837 1.00 3.00 H new ATOM 0 HB3 HIS A 6 5.757 14.325 -22.161 1.00 3.00 H new ATOM 0 HD2 HIS A 6 6.605 10.465 -22.694 1.00 55.55 H new ATOM 0 HE1 HIS A 6 4.861 11.032 -18.875 1.00 53.32 H new ATOM 0 HE2 HIS A 6 5.852 9.325 -20.474 1.00 21.50 H new ATOM 99 N HIS A 7 3.173 14.090 -24.748 1.00 74.54 N ATOM 100 CA HIS A 7 1.723 14.322 -24.697 1.00 73.13 C ATOM 101 C HIS A 7 0.928 13.013 -24.846 1.00 14.04 C ATOM 102 O HIS A 7 1.358 12.097 -25.549 1.00 1.31 O ATOM 103 CB HIS A 7 1.302 15.325 -25.782 1.00 72.14 C ATOM 104 CG HIS A 7 1.762 14.978 -27.172 1.00 4.12 C ATOM 105 ND1 HIS A 7 2.503 15.840 -27.953 1.00 53.42 N ATOM 106 CD2 HIS A 7 1.566 13.871 -27.933 1.00 54.13 C ATOM 107 CE1 HIS A 7 2.740 15.284 -29.123 1.00 13.52 C ATOM 108 NE2 HIS A 7 2.184 14.091 -29.139 1.00 70.23 N ATOM 0 H HIS A 7 3.632 14.501 -25.561 1.00 74.54 H new ATOM 0 HA HIS A 7 1.493 14.738 -23.716 1.00 73.13 H new ATOM 0 HB2 HIS A 7 0.215 15.403 -25.783 1.00 72.14 H new ATOM 0 HB3 HIS A 7 1.692 16.308 -25.520 1.00 72.14 H new ATOM 0 HD1 HIS A 7 2.819 16.767 -27.668 1.00 53.42 H new ATOM 0 HD2 HIS A 7 1.025 12.982 -27.644 1.00 54.13 H new ATOM 0 HE1 HIS A 7 3.297 15.732 -29.933 1.00 13.52 H new ATOM 117 N HIS A 8 -0.218 12.936 -24.161 1.00 62.33 N ATOM 118 CA HIS A 8 -1.110 11.759 -24.199 1.00 64.13 C ATOM 119 C HIS A 8 -0.494 10.506 -23.536 1.00 32.13 C ATOM 120 O HIS A 8 -1.222 9.639 -23.052 1.00 71.34 O ATOM 121 CB HIS A 8 -1.533 11.441 -25.642 1.00 40.14 C ATOM 122 CG HIS A 8 -2.449 10.257 -25.755 1.00 13.04 C ATOM 123 ND1 HIS A 8 -3.728 10.245 -25.244 1.00 44.31 N ATOM 124 CD2 HIS A 8 -2.259 9.035 -26.309 1.00 32.50 C ATOM 125 CE1 HIS A 8 -4.281 9.073 -25.471 1.00 55.40 C ATOM 126 NE2 HIS A 8 -3.415 8.322 -26.115 1.00 53.23 N ATOM 0 H HIS A 8 -0.559 13.687 -23.561 1.00 62.33 H new ATOM 0 HA HIS A 8 -1.990 12.026 -23.613 1.00 64.13 H new ATOM 0 HB2 HIS A 8 -2.028 12.314 -26.067 1.00 40.14 H new ATOM 0 HB3 HIS A 8 -0.641 11.258 -26.241 1.00 40.14 H new ATOM 0 HD2 HIS A 8 -1.367 8.688 -26.809 1.00 32.50 H new ATOM 0 HE1 HIS A 8 -5.278 8.778 -25.178 1.00 55.40 H new ATOM 0 HE2 HIS A 8 -3.577 7.363 -26.421 1.00 53.23 H new ATOM 135 N SER A 9 0.834 10.414 -23.510 1.00 75.25 N ATOM 136 CA SER A 9 1.525 9.246 -22.956 1.00 75.32 C ATOM 137 C SER A 9 1.387 9.171 -21.434 1.00 54.34 C ATOM 138 O SER A 9 1.780 10.092 -20.716 1.00 61.13 O ATOM 139 CB SER A 9 3.010 9.269 -23.348 1.00 5.23 C ATOM 140 OG SER A 9 3.168 9.157 -24.756 1.00 72.45 O ATOM 0 H SER A 9 1.458 11.137 -23.868 1.00 75.25 H new ATOM 0 HA SER A 9 1.053 8.358 -23.377 1.00 75.32 H new ATOM 0 HB2 SER A 9 3.467 10.195 -23.000 1.00 5.23 H new ATOM 0 HB3 SER A 9 3.533 8.450 -22.854 1.00 5.23 H new ATOM 0 HG SER A 9 4.122 9.176 -24.981 1.00 72.45 H new ATOM 146 N HIS A 10 0.826 8.062 -20.955 1.00 10.44 N ATOM 147 CA HIS A 10 0.656 7.824 -19.518 1.00 2.01 C ATOM 148 C HIS A 10 1.969 8.047 -18.745 1.00 60.41 C ATOM 149 O HIS A 10 2.974 7.381 -18.997 1.00 14.32 O ATOM 150 CB HIS A 10 0.135 6.393 -19.288 1.00 14.43 C ATOM 151 CG HIS A 10 0.106 5.962 -17.851 1.00 3.55 C ATOM 152 ND1 HIS A 10 -0.391 6.568 -16.742 1.00 21.31 N flip ATOM 153 CD2 HIS A 10 0.625 4.761 -17.420 1.00 71.11 C flip ATOM 154 CE1 HIS A 10 -0.158 5.728 -15.681 1.00 53.04 C flip ATOM 155 NE2 HIS A 10 0.454 4.647 -16.120 1.00 52.23 N flip ATOM 0 H HIS A 10 0.478 7.306 -21.545 1.00 10.44 H new ATOM 0 HA HIS A 10 -0.071 8.542 -19.139 1.00 2.01 H new ATOM 0 HB2 HIS A 10 -0.873 6.317 -19.697 1.00 14.43 H new ATOM 0 HB3 HIS A 10 0.760 5.698 -19.849 1.00 14.43 H new ATOM 0 HD2 HIS A 10 1.100 4.025 -18.052 1.00 71.11 H new ATOM 0 HE1 HIS A 10 -0.432 5.922 -14.654 1.00 53.04 H new ATOM 0 HE2 HIS A 10 0.746 3.855 -15.548 1.00 52.23 H new ATOM 164 N MET A 11 1.947 8.998 -17.810 1.00 54.14 N ATOM 165 CA MET A 11 3.101 9.269 -16.942 1.00 62.53 C ATOM 166 C MET A 11 3.390 8.075 -16.020 1.00 3.05 C ATOM 167 O MET A 11 2.606 7.125 -15.953 1.00 40.21 O ATOM 168 CB MET A 11 2.837 10.529 -16.104 1.00 74.42 C ATOM 169 CG MET A 11 2.606 11.780 -16.939 1.00 1.05 C ATOM 170 SD MET A 11 2.242 13.233 -15.933 1.00 34.24 S ATOM 171 CE MET A 11 2.031 14.484 -17.200 1.00 60.24 C ATOM 0 H MET A 11 1.141 9.597 -17.632 1.00 54.14 H new ATOM 0 HA MET A 11 3.975 9.430 -17.573 1.00 62.53 H new ATOM 0 HB2 MET A 11 1.966 10.358 -15.472 1.00 74.42 H new ATOM 0 HB3 MET A 11 3.685 10.697 -15.440 1.00 74.42 H new ATOM 0 HG2 MET A 11 3.491 11.975 -17.545 1.00 1.05 H new ATOM 0 HG3 MET A 11 1.780 11.604 -17.628 1.00 1.05 H new ATOM 0 HE1 MET A 11 1.801 15.441 -16.732 1.00 60.24 H new ATOM 0 HE2 MET A 11 2.951 14.575 -17.778 1.00 60.24 H new ATOM 0 HE3 MET A 11 1.213 14.198 -17.861 1.00 60.24 H new ATOM 181 N ASN A 12 4.509 8.127 -15.305 1.00 71.24 N ATOM 182 CA ASN A 12 4.873 7.047 -14.386 1.00 41.41 C ATOM 183 C ASN A 12 3.848 6.952 -13.247 1.00 11.03 C ATOM 184 O ASN A 12 3.679 7.897 -12.474 1.00 15.10 O ATOM 185 CB ASN A 12 6.276 7.272 -13.813 1.00 73.41 C ATOM 186 CG ASN A 12 7.320 7.459 -14.899 1.00 53.21 C ATOM 187 OD1 ASN A 12 7.920 6.502 -15.380 1.00 55.12 O ATOM 188 ND2 ASN A 12 7.546 8.694 -15.296 1.00 23.22 N ATOM 0 H ASN A 12 5.177 8.897 -15.341 1.00 71.24 H new ATOM 0 HA ASN A 12 4.874 6.110 -14.942 1.00 41.41 H new ATOM 0 HB2 ASN A 12 6.266 8.150 -13.167 1.00 73.41 H new ATOM 0 HB3 ASN A 12 6.552 6.421 -13.190 1.00 73.41 H new ATOM 0 HD21 ASN A 12 8.237 8.877 -16.024 1.00 23.22 H new ATOM 0 HD22 ASN A 12 7.030 9.467 -14.876 1.00 23.22 H new ATOM 195 N SER A 13 3.170 5.810 -13.150 1.00 44.24 N ATOM 196 CA SER A 13 2.120 5.600 -12.140 1.00 0.51 C ATOM 197 C SER A 13 2.612 5.947 -10.730 1.00 44.34 C ATOM 198 O SER A 13 1.835 6.363 -9.872 1.00 51.43 O ATOM 199 CB SER A 13 1.629 4.149 -12.168 1.00 60.33 C ATOM 200 OG SER A 13 1.087 3.813 -13.434 1.00 51.14 O ATOM 0 H SER A 13 3.326 5.008 -13.760 1.00 44.24 H new ATOM 0 HA SER A 13 1.295 6.268 -12.389 1.00 0.51 H new ATOM 0 HB2 SER A 13 2.456 3.478 -11.935 1.00 60.33 H new ATOM 0 HB3 SER A 13 0.873 4.004 -11.396 1.00 60.33 H new ATOM 0 HG SER A 13 0.783 2.881 -13.423 1.00 51.14 H new ATOM 206 N ALA A 14 3.908 5.776 -10.499 1.00 61.43 N ATOM 207 CA ALA A 14 4.517 6.124 -9.215 1.00 24.50 C ATOM 208 C ALA A 14 4.320 7.613 -8.876 1.00 64.14 C ATOM 209 O ALA A 14 4.003 7.962 -7.740 1.00 60.42 O ATOM 210 CB ALA A 14 5.999 5.771 -9.233 1.00 11.32 C ATOM 0 H ALA A 14 4.562 5.397 -11.184 1.00 61.43 H new ATOM 0 HA ALA A 14 4.019 5.546 -8.437 1.00 24.50 H new ATOM 0 HB1 ALA A 14 6.447 6.032 -8.274 1.00 11.32 H new ATOM 0 HB2 ALA A 14 6.116 4.702 -9.409 1.00 11.32 H new ATOM 0 HB3 ALA A 14 6.496 6.326 -10.029 1.00 11.32 H new ATOM 216 N GLU A 15 4.483 8.481 -9.882 1.00 33.41 N ATOM 217 CA GLU A 15 4.360 9.937 -9.698 1.00 34.33 C ATOM 218 C GLU A 15 2.979 10.326 -9.136 1.00 31.14 C ATOM 219 O GLU A 15 2.880 11.083 -8.166 1.00 30.23 O ATOM 220 CB GLU A 15 4.600 10.664 -11.035 1.00 33.31 C ATOM 221 CG GLU A 15 5.968 10.391 -11.657 1.00 63.01 C ATOM 222 CD GLU A 15 6.172 11.116 -12.983 1.00 45.44 C ATOM 223 OE1 GLU A 15 5.727 10.602 -14.030 1.00 52.14 O ATOM 224 OE2 GLU A 15 6.784 12.205 -12.987 1.00 32.50 O ATOM 0 H GLU A 15 4.702 8.201 -10.838 1.00 33.41 H new ATOM 0 HA GLU A 15 5.117 10.241 -8.975 1.00 34.33 H new ATOM 0 HB2 GLU A 15 3.826 10.367 -11.742 1.00 33.31 H new ATOM 0 HB3 GLU A 15 4.492 11.737 -10.877 1.00 33.31 H new ATOM 0 HG2 GLU A 15 6.747 10.696 -10.958 1.00 63.01 H new ATOM 0 HG3 GLU A 15 6.083 9.318 -11.814 1.00 63.01 H new ATOM 231 N GLN A 16 1.921 9.795 -9.752 1.00 10.35 N ATOM 232 CA GLN A 16 0.542 10.100 -9.338 1.00 61.51 C ATOM 233 C GLN A 16 0.182 9.412 -8.007 1.00 21.41 C ATOM 234 O GLN A 16 -0.501 9.994 -7.160 1.00 34.54 O ATOM 235 CB GLN A 16 -0.455 9.687 -10.442 1.00 51.11 C ATOM 236 CG GLN A 16 -0.501 8.184 -10.714 1.00 25.31 C ATOM 237 CD GLN A 16 -1.425 7.808 -11.864 1.00 14.31 C ATOM 238 OE1 GLN A 16 -1.002 7.697 -13.015 1.00 4.03 O ATOM 239 NE2 GLN A 16 -2.694 7.621 -11.564 1.00 73.32 N ATOM 0 H GLN A 16 1.989 9.151 -10.540 1.00 10.35 H new ATOM 0 HA GLN A 16 0.475 11.177 -9.183 1.00 61.51 H new ATOM 0 HB2 GLN A 16 -1.452 10.025 -10.160 1.00 51.11 H new ATOM 0 HB3 GLN A 16 -0.193 10.204 -11.365 1.00 51.11 H new ATOM 0 HG2 GLN A 16 0.506 7.831 -10.936 1.00 25.31 H new ATOM 0 HG3 GLN A 16 -0.828 7.668 -9.811 1.00 25.31 H new ATOM 0 HE21 GLN A 16 -3.010 7.721 -10.599 1.00 73.32 H new ATOM 0 HE22 GLN A 16 -3.360 7.376 -12.296 1.00 73.32 H new ATOM 248 N THR A 17 0.656 8.177 -7.819 1.00 51.42 N ATOM 249 CA THR A 17 0.360 7.403 -6.599 1.00 73.41 C ATOM 250 C THR A 17 0.858 8.116 -5.332 1.00 70.12 C ATOM 251 O THR A 17 0.189 8.092 -4.298 1.00 44.11 O ATOM 252 CB THR A 17 0.967 5.978 -6.658 1.00 32.15 C ATOM 253 OG1 THR A 17 0.465 5.277 -7.807 1.00 5.13 O ATOM 254 CG2 THR A 17 0.636 5.175 -5.402 1.00 71.04 C ATOM 0 H THR A 17 1.246 7.688 -8.492 1.00 51.42 H new ATOM 0 HA THR A 17 -0.726 7.321 -6.551 1.00 73.41 H new ATOM 0 HB THR A 17 2.050 6.085 -6.727 1.00 32.15 H new ATOM 0 HG1 THR A 17 0.986 5.529 -8.598 1.00 5.13 H new ATOM 0 HG21 THR A 17 1.078 4.181 -5.478 1.00 71.04 H new ATOM 0 HG22 THR A 17 1.039 5.685 -4.527 1.00 71.04 H new ATOM 0 HG23 THR A 17 -0.446 5.085 -5.303 1.00 71.04 H new ATOM 262 N VAL A 18 2.031 8.754 -5.413 1.00 11.11 N ATOM 263 CA VAL A 18 2.550 9.549 -4.289 1.00 2.15 C ATOM 264 C VAL A 18 1.505 10.580 -3.825 1.00 34.42 C ATOM 265 O VAL A 18 1.110 10.602 -2.658 1.00 14.50 O ATOM 266 CB VAL A 18 3.862 10.292 -4.661 1.00 4.11 C ATOM 267 CG1 VAL A 18 4.359 11.142 -3.490 1.00 15.41 C ATOM 268 CG2 VAL A 18 4.943 9.309 -5.107 1.00 51.44 C ATOM 0 H VAL A 18 2.635 8.738 -6.235 1.00 11.11 H new ATOM 0 HA VAL A 18 2.765 8.850 -3.481 1.00 2.15 H new ATOM 0 HB VAL A 18 3.642 10.956 -5.497 1.00 4.11 H new ATOM 0 HG11 VAL A 18 5.279 11.652 -3.775 1.00 15.41 H new ATOM 0 HG12 VAL A 18 3.601 11.880 -3.229 1.00 15.41 H new ATOM 0 HG13 VAL A 18 4.552 10.500 -2.631 1.00 15.41 H new ATOM 0 HG21 VAL A 18 5.850 9.857 -5.361 1.00 51.44 H new ATOM 0 HG22 VAL A 18 5.156 8.610 -4.298 1.00 51.44 H new ATOM 0 HG23 VAL A 18 4.595 8.758 -5.981 1.00 51.44 H new ATOM 278 N THR A 19 1.046 11.415 -4.758 1.00 13.02 N ATOM 279 CA THR A 19 0.026 12.439 -4.467 1.00 13.00 C ATOM 280 C THR A 19 -1.262 11.818 -3.902 1.00 24.40 C ATOM 281 O THR A 19 -1.869 12.355 -2.973 1.00 73.44 O ATOM 282 CB THR A 19 -0.322 13.260 -5.736 1.00 43.31 C ATOM 283 OG1 THR A 19 0.861 13.894 -6.247 1.00 3.40 O ATOM 284 CG2 THR A 19 -1.386 14.318 -5.448 1.00 72.04 C ATOM 0 H THR A 19 1.362 11.407 -5.728 1.00 13.02 H new ATOM 0 HA THR A 19 0.456 13.100 -3.714 1.00 13.00 H new ATOM 0 HB THR A 19 -0.723 12.570 -6.479 1.00 43.31 H new ATOM 0 HG1 THR A 19 0.635 14.410 -7.049 1.00 3.40 H new ATOM 0 HG21 THR A 19 -1.604 14.873 -6.361 1.00 72.04 H new ATOM 0 HG22 THR A 19 -2.295 13.833 -5.093 1.00 72.04 H new ATOM 0 HG23 THR A 19 -1.019 15.004 -4.685 1.00 72.04 H new ATOM 292 N TRP A 20 -1.664 10.681 -4.465 1.00 3.03 N ATOM 293 CA TRP A 20 -2.862 9.963 -4.016 1.00 41.51 C ATOM 294 C TRP A 20 -2.744 9.530 -2.542 1.00 11.13 C ATOM 295 O TRP A 20 -3.689 9.671 -1.764 1.00 51.21 O ATOM 296 CB TRP A 20 -3.102 8.749 -4.923 1.00 30.01 C ATOM 297 CG TRP A 20 -4.341 7.964 -4.593 1.00 64.24 C ATOM 298 CD1 TRP A 20 -5.622 8.438 -4.508 1.00 41.24 C ATOM 299 CD2 TRP A 20 -4.416 6.561 -4.325 1.00 63.31 C ATOM 300 NE1 TRP A 20 -6.483 7.413 -4.197 1.00 73.11 N ATOM 301 CE2 TRP A 20 -5.766 6.254 -4.077 1.00 0.21 C ATOM 302 CE3 TRP A 20 -3.467 5.535 -4.265 1.00 64.31 C ATOM 303 CZ2 TRP A 20 -6.192 4.965 -3.779 1.00 31.44 C ATOM 304 CZ3 TRP A 20 -3.892 4.254 -3.969 1.00 1.33 C ATOM 305 CH2 TRP A 20 -5.244 3.980 -3.728 1.00 63.45 C ATOM 0 H TRP A 20 -1.175 10.231 -5.239 1.00 3.03 H new ATOM 0 HA TRP A 20 -3.715 10.638 -4.085 1.00 41.51 H new ATOM 0 HB2 TRP A 20 -3.167 9.090 -5.956 1.00 30.01 H new ATOM 0 HB3 TRP A 20 -2.239 8.086 -4.859 1.00 30.01 H new ATOM 0 HD1 TRP A 20 -5.913 9.466 -4.663 1.00 41.24 H new ATOM 0 HE1 TRP A 20 -7.492 7.502 -4.075 1.00 73.11 H new ATOM 0 HE3 TRP A 20 -2.422 5.740 -4.447 1.00 64.31 H new ATOM 0 HZ2 TRP A 20 -7.234 4.749 -3.594 1.00 31.44 H new ATOM 0 HZ3 TRP A 20 -3.170 3.452 -3.923 1.00 1.33 H new ATOM 0 HH2 TRP A 20 -5.545 2.969 -3.497 1.00 63.45 H new ATOM 316 N LEU A 21 -1.576 9.022 -2.157 1.00 1.11 N ATOM 317 CA LEU A 21 -1.335 8.604 -0.770 1.00 44.32 C ATOM 318 C LEU A 21 -1.294 9.810 0.187 1.00 61.23 C ATOM 319 O LEU A 21 -1.810 9.749 1.308 1.00 13.40 O ATOM 320 CB LEU A 21 -0.023 7.808 -0.669 1.00 24.32 C ATOM 321 CG LEU A 21 0.030 6.510 -1.495 1.00 44.21 C ATOM 322 CD1 LEU A 21 1.378 5.812 -1.324 1.00 11.32 C ATOM 323 CD2 LEU A 21 -1.117 5.578 -1.108 1.00 32.10 C ATOM 0 H LEU A 21 -0.780 8.888 -2.781 1.00 1.11 H new ATOM 0 HA LEU A 21 -2.166 7.965 -0.471 1.00 44.32 H new ATOM 0 HB2 LEU A 21 0.798 8.452 -0.984 1.00 24.32 H new ATOM 0 HB3 LEU A 21 0.151 7.559 0.378 1.00 24.32 H new ATOM 0 HG LEU A 21 -0.083 6.771 -2.547 1.00 44.21 H new ATOM 0 HD11 LEU A 21 1.392 4.897 -1.917 1.00 11.32 H new ATOM 0 HD12 LEU A 21 2.176 6.474 -1.660 1.00 11.32 H new ATOM 0 HD13 LEU A 21 1.529 5.565 -0.273 1.00 11.32 H new ATOM 0 HD21 LEU A 21 -1.062 4.666 -1.703 1.00 32.10 H new ATOM 0 HD22 LEU A 21 -1.040 5.326 -0.050 1.00 32.10 H new ATOM 0 HD23 LEU A 21 -2.069 6.076 -1.294 1.00 32.10 H new ATOM 335 N ILE A 22 -0.682 10.907 -0.259 1.00 51.33 N ATOM 336 CA ILE A 22 -0.585 12.124 0.555 1.00 33.31 C ATOM 337 C ILE A 22 -1.970 12.746 0.816 1.00 74.43 C ATOM 338 O ILE A 22 -2.301 13.091 1.954 1.00 45.53 O ATOM 339 CB ILE A 22 0.335 13.182 -0.109 1.00 23.34 C ATOM 340 CG1 ILE A 22 1.755 12.618 -0.294 1.00 71.14 C ATOM 341 CG2 ILE A 22 0.375 14.467 0.719 1.00 50.04 C ATOM 342 CD1 ILE A 22 2.706 13.564 -0.998 1.00 14.41 C ATOM 0 H ILE A 22 -0.246 10.980 -1.178 1.00 51.33 H new ATOM 0 HA ILE A 22 -0.149 11.824 1.508 1.00 33.31 H new ATOM 0 HB ILE A 22 -0.076 13.422 -1.090 1.00 23.34 H new ATOM 0 HG12 ILE A 22 2.166 12.367 0.684 1.00 71.14 H new ATOM 0 HG13 ILE A 22 1.695 11.690 -0.862 1.00 71.14 H new ATOM 0 HG21 ILE A 22 1.027 15.193 0.233 1.00 50.04 H new ATOM 0 HG22 ILE A 22 -0.631 14.879 0.800 1.00 50.04 H new ATOM 0 HG23 ILE A 22 0.758 14.246 1.715 1.00 50.04 H new ATOM 0 HD11 ILE A 22 3.685 13.094 -1.090 1.00 14.41 H new ATOM 0 HD12 ILE A 22 2.320 13.796 -1.991 1.00 14.41 H new ATOM 0 HD13 ILE A 22 2.798 14.484 -0.421 1.00 14.41 H new ATOM 354 N THR A 23 -2.787 12.872 -0.232 1.00 14.45 N ATOM 355 CA THR A 23 -4.125 13.477 -0.103 1.00 2.43 C ATOM 356 C THR A 23 -5.065 12.618 0.762 1.00 3.15 C ATOM 357 O THR A 23 -6.080 13.105 1.263 1.00 64.44 O ATOM 358 CB THR A 23 -4.789 13.727 -1.483 1.00 24.24 C ATOM 359 OG1 THR A 23 -6.010 14.469 -1.323 1.00 14.13 O ATOM 360 CG2 THR A 23 -5.088 12.419 -2.206 1.00 32.14 C ATOM 0 H THR A 23 -2.552 12.567 -1.177 1.00 14.45 H new ATOM 0 HA THR A 23 -3.969 14.437 0.390 1.00 2.43 H new ATOM 0 HB THR A 23 -4.084 14.301 -2.084 1.00 24.24 H new ATOM 0 HG1 THR A 23 -6.418 14.621 -2.201 1.00 14.13 H new ATOM 0 HG21 THR A 23 -5.553 12.633 -3.169 1.00 32.14 H new ATOM 0 HG22 THR A 23 -4.159 11.871 -2.365 1.00 32.14 H new ATOM 0 HG23 THR A 23 -5.766 11.816 -1.602 1.00 32.14 H new ATOM 368 N LEU A 24 -4.730 11.338 0.925 1.00 14.42 N ATOM 369 CA LEU A 24 -5.487 10.440 1.810 1.00 32.54 C ATOM 370 C LEU A 24 -4.929 10.454 3.244 1.00 1.44 C ATOM 371 O LEU A 24 -5.461 9.790 4.132 1.00 15.42 O ATOM 372 CB LEU A 24 -5.475 9.009 1.250 1.00 34.52 C ATOM 373 CG LEU A 24 -6.345 8.791 0.000 1.00 42.10 C ATOM 374 CD1 LEU A 24 -6.195 7.369 -0.530 1.00 10.05 C ATOM 375 CD2 LEU A 24 -7.809 9.098 0.310 1.00 70.24 C ATOM 0 H LEU A 24 -3.939 10.895 0.457 1.00 14.42 H new ATOM 0 HA LEU A 24 -6.515 10.802 1.850 1.00 32.54 H new ATOM 0 HB2 LEU A 24 -4.447 8.738 1.010 1.00 34.52 H new ATOM 0 HB3 LEU A 24 -5.811 8.327 2.031 1.00 34.52 H new ATOM 0 HG LEU A 24 -6.003 9.476 -0.776 1.00 42.10 H new ATOM 0 HD11 LEU A 24 -6.821 7.242 -1.414 1.00 10.05 H new ATOM 0 HD12 LEU A 24 -5.153 7.187 -0.794 1.00 10.05 H new ATOM 0 HD13 LEU A 24 -6.504 6.660 0.238 1.00 10.05 H new ATOM 0 HD21 LEU A 24 -8.411 8.939 -0.584 1.00 70.24 H new ATOM 0 HD22 LEU A 24 -8.159 8.439 1.105 1.00 70.24 H new ATOM 0 HD23 LEU A 24 -7.903 10.135 0.631 1.00 70.24 H new ATOM 387 N GLY A 25 -3.846 11.202 3.457 1.00 40.43 N ATOM 388 CA GLY A 25 -3.277 11.352 4.796 1.00 24.21 C ATOM 389 C GLY A 25 -2.606 10.088 5.336 1.00 34.42 C ATOM 390 O GLY A 25 -2.235 10.031 6.511 1.00 54.12 O ATOM 0 H GLY A 25 -3.349 11.710 2.726 1.00 40.43 H new ATOM 0 HA2 GLY A 25 -2.545 12.160 4.779 1.00 24.21 H new ATOM 0 HA3 GLY A 25 -4.068 11.652 5.483 1.00 24.21 H new ATOM 394 N VAL A 26 -2.440 9.078 4.485 1.00 4.31 N ATOM 395 CA VAL A 26 -1.819 7.812 4.900 1.00 31.42 C ATOM 396 C VAL A 26 -0.290 7.884 4.800 1.00 32.43 C ATOM 397 O VAL A 26 0.428 7.195 5.525 1.00 14.41 O ATOM 398 CB VAL A 26 -2.349 6.625 4.058 1.00 42.34 C ATOM 399 CG1 VAL A 26 -3.865 6.528 4.184 1.00 52.42 C ATOM 400 CG2 VAL A 26 -1.929 6.756 2.594 1.00 51.50 C ATOM 0 H VAL A 26 -2.724 9.106 3.506 1.00 4.31 H new ATOM 0 HA VAL A 26 -2.091 7.646 5.943 1.00 31.42 H new ATOM 0 HB VAL A 26 -1.909 5.706 4.444 1.00 42.34 H new ATOM 0 HG11 VAL A 26 -4.227 5.690 3.588 1.00 52.42 H new ATOM 0 HG12 VAL A 26 -4.134 6.373 5.229 1.00 52.42 H new ATOM 0 HG13 VAL A 26 -4.320 7.451 3.825 1.00 52.42 H new ATOM 0 HG21 VAL A 26 -2.315 5.909 2.027 1.00 51.50 H new ATOM 0 HG22 VAL A 26 -2.331 7.682 2.182 1.00 51.50 H new ATOM 0 HG23 VAL A 26 -0.841 6.771 2.528 1.00 51.50 H new ATOM 410 N LEU A 27 0.194 8.734 3.901 1.00 72.25 N ATOM 411 CA LEU A 27 1.627 8.982 3.747 1.00 64.01 C ATOM 412 C LEU A 27 1.919 10.483 3.891 1.00 43.35 C ATOM 413 O LEU A 27 1.312 11.308 3.206 1.00 63.54 O ATOM 414 CB LEU A 27 2.105 8.472 2.380 1.00 50.44 C ATOM 415 CG LEU A 27 3.608 8.640 2.092 1.00 74.30 C ATOM 416 CD1 LEU A 27 4.451 7.902 3.132 1.00 32.41 C ATOM 417 CD2 LEU A 27 3.936 8.151 0.682 1.00 23.32 C ATOM 0 H LEU A 27 -0.391 9.270 3.260 1.00 72.25 H new ATOM 0 HA LEU A 27 2.167 8.445 4.527 1.00 64.01 H new ATOM 0 HB2 LEU A 27 1.855 7.414 2.300 1.00 50.44 H new ATOM 0 HB3 LEU A 27 1.545 8.992 1.603 1.00 50.44 H new ATOM 0 HG LEU A 27 3.852 9.700 2.156 1.00 74.30 H new ATOM 0 HD11 LEU A 27 5.509 8.037 2.905 1.00 32.41 H new ATOM 0 HD12 LEU A 27 4.238 8.302 4.123 1.00 32.41 H new ATOM 0 HD13 LEU A 27 4.208 6.840 3.110 1.00 32.41 H new ATOM 0 HD21 LEU A 27 5.002 8.276 0.492 1.00 23.32 H new ATOM 0 HD22 LEU A 27 3.672 7.097 0.592 1.00 23.32 H new ATOM 0 HD23 LEU A 27 3.368 8.731 -0.045 1.00 23.32 H new ATOM 429 N GLU A 28 2.829 10.832 4.796 1.00 1.42 N ATOM 430 CA GLU A 28 3.167 12.237 5.041 1.00 21.04 C ATOM 431 C GLU A 28 3.878 12.866 3.832 1.00 22.12 C ATOM 432 O GLU A 28 4.553 12.183 3.061 1.00 1.02 O ATOM 433 CB GLU A 28 4.030 12.372 6.305 1.00 21.24 C ATOM 434 CG GLU A 28 5.345 11.605 6.248 1.00 24.32 C ATOM 435 CD GLU A 28 6.152 11.742 7.529 1.00 22.14 C ATOM 436 OE1 GLU A 28 5.818 11.062 8.523 1.00 31.31 O ATOM 437 OE2 GLU A 28 7.118 12.536 7.554 1.00 23.54 O ATOM 0 H GLU A 28 3.346 10.167 5.371 1.00 1.42 H new ATOM 0 HA GLU A 28 2.234 12.779 5.195 1.00 21.04 H new ATOM 0 HB2 GLU A 28 4.245 13.427 6.474 1.00 21.24 H new ATOM 0 HB3 GLU A 28 3.455 12.023 7.163 1.00 21.24 H new ATOM 0 HG2 GLU A 28 5.140 10.551 6.062 1.00 24.32 H new ATOM 0 HG3 GLU A 28 5.938 11.967 5.408 1.00 24.32 H new ATOM 444 N SER A 29 3.711 14.176 3.677 1.00 22.11 N ATOM 445 CA SER A 29 4.285 14.912 2.541 1.00 31.34 C ATOM 446 C SER A 29 5.812 15.031 2.658 1.00 34.41 C ATOM 447 O SER A 29 6.348 15.175 3.760 1.00 44.31 O ATOM 448 CB SER A 29 3.660 16.312 2.449 1.00 35.24 C ATOM 449 OG SER A 29 4.205 17.059 1.371 1.00 52.14 O ATOM 0 H SER A 29 3.180 14.758 4.325 1.00 22.11 H new ATOM 0 HA SER A 29 4.059 14.351 1.634 1.00 31.34 H new ATOM 0 HB2 SER A 29 2.581 16.222 2.321 1.00 35.24 H new ATOM 0 HB3 SER A 29 3.826 16.847 3.384 1.00 35.24 H new ATOM 0 HG SER A 29 3.784 17.944 1.340 1.00 52.14 H new ATOM 455 N PRO A 30 6.537 14.960 1.524 1.00 60.03 N ATOM 456 CA PRO A 30 8.000 15.122 1.510 1.00 71.23 C ATOM 457 C PRO A 30 8.440 16.574 1.758 1.00 53.23 C ATOM 458 O PRO A 30 7.640 17.508 1.663 1.00 13.04 O ATOM 459 CB PRO A 30 8.385 14.678 0.096 1.00 53.53 C ATOM 460 CG PRO A 30 7.176 14.967 -0.728 1.00 73.24 C ATOM 461 CD PRO A 30 5.997 14.705 0.170 1.00 52.45 C ATOM 0 HA PRO A 30 8.481 14.549 2.303 1.00 71.23 H new ATOM 0 HB2 PRO A 30 9.254 15.225 -0.269 1.00 53.53 H new ATOM 0 HB3 PRO A 30 8.640 13.619 0.068 1.00 53.53 H new ATOM 0 HG2 PRO A 30 7.179 15.999 -1.079 1.00 73.24 H new ATOM 0 HG3 PRO A 30 7.144 14.330 -1.612 1.00 73.24 H new ATOM 0 HD2 PRO A 30 5.161 15.365 -0.061 1.00 52.45 H new ATOM 0 HD3 PRO A 30 5.633 13.683 0.068 1.00 52.45 H new ATOM 469 N LYS A 31 9.719 16.759 2.061 1.00 73.30 N ATOM 470 CA LYS A 31 10.261 18.096 2.330 1.00 61.24 C ATOM 471 C LYS A 31 10.814 18.737 1.051 1.00 40.41 C ATOM 472 O LYS A 31 11.214 19.903 1.045 1.00 4.14 O ATOM 473 CB LYS A 31 11.350 18.010 3.401 1.00 10.02 C ATOM 474 CG LYS A 31 10.875 17.365 4.699 1.00 24.50 C ATOM 475 CD LYS A 31 9.720 18.143 5.333 1.00 13.13 C ATOM 476 CE LYS A 31 9.131 17.410 6.534 1.00 34.34 C ATOM 477 NZ LYS A 31 10.145 17.157 7.588 1.00 61.24 N ATOM 0 H LYS A 31 10.403 16.006 2.128 1.00 73.30 H new ATOM 0 HA LYS A 31 9.452 18.728 2.695 1.00 61.24 H new ATOM 0 HB2 LYS A 31 12.192 17.440 3.008 1.00 10.02 H new ATOM 0 HB3 LYS A 31 11.717 19.013 3.616 1.00 10.02 H new ATOM 0 HG2 LYS A 31 10.558 16.341 4.501 1.00 24.50 H new ATOM 0 HG3 LYS A 31 11.706 17.311 5.403 1.00 24.50 H new ATOM 0 HD2 LYS A 31 10.073 19.126 5.645 1.00 13.13 H new ATOM 0 HD3 LYS A 31 8.940 18.306 4.589 1.00 13.13 H new ATOM 0 HE2 LYS A 31 8.314 17.998 6.952 1.00 34.34 H new ATOM 0 HE3 LYS A 31 8.706 16.462 6.206 1.00 34.34 H new ATOM 0 HZ1 LYS A 31 9.679 16.765 8.431 1.00 61.24 H new ATOM 0 HZ2 LYS A 31 10.850 16.479 7.236 1.00 61.24 H new ATOM 0 HZ3 LYS A 31 10.617 18.050 7.837 1.00 61.24 H new ATOM 491 N LYS A 32 10.834 17.958 -0.025 1.00 21.21 N ATOM 492 CA LYS A 32 11.295 18.427 -1.333 1.00 71.12 C ATOM 493 C LYS A 32 10.691 17.572 -2.457 1.00 53.24 C ATOM 494 O LYS A 32 9.878 16.680 -2.203 1.00 74.14 O ATOM 495 CB LYS A 32 12.829 18.382 -1.405 1.00 35.35 C ATOM 496 CG LYS A 32 13.414 16.990 -1.190 1.00 33.44 C ATOM 497 CD LYS A 32 14.933 16.985 -1.317 1.00 62.53 C ATOM 498 CE LYS A 32 15.513 15.613 -1.005 1.00 33.05 C ATOM 499 NZ LYS A 32 16.992 15.592 -1.130 1.00 11.32 N ATOM 0 H LYS A 32 10.532 16.984 -0.018 1.00 21.21 H new ATOM 0 HA LYS A 32 10.965 19.458 -1.464 1.00 71.12 H new ATOM 0 HB2 LYS A 32 13.149 18.754 -2.378 1.00 35.35 H new ATOM 0 HB3 LYS A 32 13.239 19.058 -0.655 1.00 35.35 H new ATOM 0 HG2 LYS A 32 13.131 16.626 -0.202 1.00 33.44 H new ATOM 0 HG3 LYS A 32 12.987 16.300 -1.918 1.00 33.44 H new ATOM 0 HD2 LYS A 32 15.216 17.280 -2.328 1.00 62.53 H new ATOM 0 HD3 LYS A 32 15.359 17.724 -0.638 1.00 62.53 H new ATOM 0 HE2 LYS A 32 15.231 15.322 0.007 1.00 33.05 H new ATOM 0 HE3 LYS A 32 15.082 14.875 -1.681 1.00 33.05 H new ATOM 0 HZ1 LYS A 32 17.346 14.639 -0.909 1.00 11.32 H new ATOM 0 HZ2 LYS A 32 17.262 15.845 -2.102 1.00 11.32 H new ATOM 0 HZ3 LYS A 32 17.406 16.277 -0.467 1.00 11.32 H new ATOM 513 N THR A 33 11.088 17.847 -3.697 1.00 15.34 N ATOM 514 CA THR A 33 10.627 17.059 -4.847 1.00 42.42 C ATOM 515 C THR A 33 11.212 15.641 -4.816 1.00 4.24 C ATOM 516 O THR A 33 12.430 15.464 -4.770 1.00 60.42 O ATOM 517 CB THR A 33 11.012 17.730 -6.188 1.00 70.02 C ATOM 518 OG1 THR A 33 10.413 19.032 -6.275 1.00 64.31 O ATOM 519 CG2 THR A 33 10.567 16.886 -7.384 1.00 3.31 C ATOM 0 H THR A 33 11.726 18.606 -3.935 1.00 15.34 H new ATOM 0 HA THR A 33 9.541 17.006 -4.775 1.00 42.42 H new ATOM 0 HB THR A 33 12.098 17.819 -6.215 1.00 70.02 H new ATOM 0 HG1 THR A 33 10.663 19.451 -7.125 1.00 64.31 H new ATOM 0 HG21 THR A 33 10.853 17.386 -8.309 1.00 3.31 H new ATOM 0 HG22 THR A 33 11.046 15.908 -7.337 1.00 3.31 H new ATOM 0 HG23 THR A 33 9.484 16.761 -7.359 1.00 3.31 H new ATOM 527 N ILE A 34 10.337 14.639 -4.843 1.00 32.11 N ATOM 528 CA ILE A 34 10.760 13.234 -4.821 1.00 13.34 C ATOM 529 C ILE A 34 11.622 12.879 -6.043 1.00 24.44 C ATOM 530 O ILE A 34 11.139 12.875 -7.176 1.00 33.20 O ATOM 531 CB ILE A 34 9.537 12.280 -4.771 1.00 61.44 C ATOM 532 CG1 ILE A 34 8.663 12.574 -3.541 1.00 3.54 C ATOM 533 CG2 ILE A 34 9.990 10.820 -4.765 1.00 20.54 C ATOM 534 CD1 ILE A 34 9.369 12.343 -2.221 1.00 72.24 C ATOM 0 H ILE A 34 9.326 14.771 -4.880 1.00 32.11 H new ATOM 0 HA ILE A 34 11.358 13.104 -3.919 1.00 13.34 H new ATOM 0 HB ILE A 34 8.939 12.453 -5.666 1.00 61.44 H new ATOM 0 HG12 ILE A 34 8.326 13.609 -3.586 1.00 3.54 H new ATOM 0 HG13 ILE A 34 7.773 11.947 -3.581 1.00 3.54 H new ATOM 0 HG21 ILE A 34 9.117 10.168 -4.730 1.00 20.54 H new ATOM 0 HG22 ILE A 34 10.561 10.613 -5.670 1.00 20.54 H new ATOM 0 HG23 ILE A 34 10.615 10.637 -3.891 1.00 20.54 H new ATOM 0 HD11 ILE A 34 8.689 12.571 -1.400 1.00 72.24 H new ATOM 0 HD12 ILE A 34 9.683 11.301 -2.154 1.00 72.24 H new ATOM 0 HD13 ILE A 34 10.244 12.990 -2.158 1.00 72.24 H new ATOM 546 N SER A 35 12.898 12.585 -5.804 1.00 32.14 N ATOM 547 CA SER A 35 13.819 12.193 -6.880 1.00 70.54 C ATOM 548 C SER A 35 13.415 10.845 -7.495 1.00 12.12 C ATOM 549 O SER A 35 13.222 10.735 -8.705 1.00 15.31 O ATOM 550 CB SER A 35 15.259 12.115 -6.357 1.00 41.34 C ATOM 551 OG SER A 35 15.369 11.172 -5.299 1.00 31.52 O ATOM 0 H SER A 35 13.322 12.609 -4.877 1.00 32.14 H new ATOM 0 HA SER A 35 13.763 12.956 -7.656 1.00 70.54 H new ATOM 0 HB2 SER A 35 15.929 11.835 -7.169 1.00 41.34 H new ATOM 0 HB3 SER A 35 15.576 13.097 -6.007 1.00 41.34 H new ATOM 0 HG SER A 35 15.583 10.290 -5.668 1.00 31.52 H new ATOM 557 N ASP A 36 13.293 9.819 -6.653 1.00 25.10 N ATOM 558 CA ASP A 36 12.879 8.484 -7.107 1.00 41.21 C ATOM 559 C ASP A 36 11.468 8.138 -6.595 1.00 61.53 C ATOM 560 O ASP A 36 11.309 7.687 -5.457 1.00 64.21 O ATOM 561 CB ASP A 36 13.877 7.429 -6.618 1.00 12.13 C ATOM 562 CG ASP A 36 15.312 7.795 -6.948 1.00 64.24 C ATOM 563 OD1 ASP A 36 15.955 8.481 -6.124 1.00 32.14 O ATOM 564 OD2 ASP A 36 15.803 7.399 -8.026 1.00 34.05 O ATOM 0 H ASP A 36 13.474 9.883 -5.651 1.00 25.10 H new ATOM 0 HA ASP A 36 12.860 8.489 -8.197 1.00 41.21 H new ATOM 0 HB2 ASP A 36 13.774 7.308 -5.540 1.00 12.13 H new ATOM 0 HB3 ASP A 36 13.637 6.467 -7.071 1.00 12.13 H new ATOM 569 N PRO A 37 10.422 8.350 -7.420 1.00 22.02 N ATOM 570 CA PRO A 37 9.026 8.100 -7.008 1.00 0.14 C ATOM 571 C PRO A 37 8.765 6.626 -6.651 1.00 41.03 C ATOM 572 O PRO A 37 8.074 6.321 -5.677 1.00 51.40 O ATOM 573 CB PRO A 37 8.205 8.524 -8.240 1.00 64.41 C ATOM 574 CG PRO A 37 9.167 8.470 -9.382 1.00 34.45 C ATOM 575 CD PRO A 37 10.508 8.840 -8.807 1.00 45.41 C ATOM 0 HA PRO A 37 8.767 8.649 -6.103 1.00 0.14 H new ATOM 0 HB2 PRO A 37 7.361 7.853 -8.402 1.00 64.41 H new ATOM 0 HB3 PRO A 37 7.796 9.527 -8.116 1.00 64.41 H new ATOM 0 HG2 PRO A 37 9.193 7.474 -9.825 1.00 34.45 H new ATOM 0 HG3 PRO A 37 8.876 9.163 -10.172 1.00 34.45 H new ATOM 0 HD2 PRO A 37 11.325 8.367 -9.352 1.00 45.41 H new ATOM 0 HD3 PRO A 37 10.680 9.916 -8.845 1.00 45.41 H new ATOM 583 N GLU A 38 9.331 5.717 -7.439 1.00 15.11 N ATOM 584 CA GLU A 38 9.159 4.276 -7.216 1.00 35.20 C ATOM 585 C GLU A 38 9.829 3.820 -5.909 1.00 63.31 C ATOM 586 O GLU A 38 9.188 3.207 -5.052 1.00 13.24 O ATOM 587 CB GLU A 38 9.737 3.498 -8.403 1.00 1.12 C ATOM 588 CG GLU A 38 9.042 3.798 -9.729 1.00 45.52 C ATOM 589 CD GLU A 38 9.765 3.202 -10.925 1.00 65.15 C ATOM 590 OE1 GLU A 38 10.010 1.979 -10.930 1.00 63.15 O ATOM 591 OE2 GLU A 38 10.101 3.959 -11.861 1.00 32.43 O ATOM 0 H GLU A 38 9.916 5.949 -8.242 1.00 15.11 H new ATOM 0 HA GLU A 38 8.092 4.073 -7.128 1.00 35.20 H new ATOM 0 HB2 GLU A 38 10.797 3.731 -8.498 1.00 1.12 H new ATOM 0 HB3 GLU A 38 9.663 2.430 -8.197 1.00 1.12 H new ATOM 0 HG2 GLU A 38 8.024 3.409 -9.696 1.00 45.52 H new ATOM 0 HG3 GLU A 38 8.967 4.878 -9.858 1.00 45.52 H new ATOM 598 N GLY A 39 11.121 4.120 -5.765 1.00 41.32 N ATOM 599 CA GLY A 39 11.849 3.778 -4.543 1.00 54.52 C ATOM 600 C GLY A 39 11.222 4.376 -3.286 1.00 70.42 C ATOM 601 O GLY A 39 11.181 3.730 -2.233 1.00 41.24 O ATOM 0 H GLY A 39 11.681 4.595 -6.473 1.00 41.32 H new ATOM 0 HA2 GLY A 39 11.888 2.693 -4.442 1.00 54.52 H new ATOM 0 HA3 GLY A 39 12.878 4.127 -4.630 1.00 54.52 H new ATOM 605 N PHE A 40 10.739 5.615 -3.397 1.00 21.23 N ATOM 606 CA PHE A 40 10.055 6.294 -2.289 1.00 55.14 C ATOM 607 C PHE A 40 8.800 5.520 -1.843 1.00 31.33 C ATOM 608 O PHE A 40 8.591 5.292 -0.648 1.00 71.12 O ATOM 609 CB PHE A 40 9.681 7.726 -2.707 1.00 32.12 C ATOM 610 CG PHE A 40 8.968 8.518 -1.635 1.00 55.21 C ATOM 611 CD1 PHE A 40 9.662 9.020 -0.542 1.00 13.04 C ATOM 612 CD2 PHE A 40 7.605 8.766 -1.727 1.00 61.04 C ATOM 613 CE1 PHE A 40 9.011 9.748 0.437 1.00 21.50 C ATOM 614 CE2 PHE A 40 6.951 9.494 -0.751 1.00 55.33 C ATOM 615 CZ PHE A 40 7.655 9.985 0.332 1.00 1.14 C ATOM 0 H PHE A 40 10.809 6.173 -4.248 1.00 21.23 H new ATOM 0 HA PHE A 40 10.737 6.333 -1.440 1.00 55.14 H new ATOM 0 HB2 PHE A 40 10.589 8.258 -2.993 1.00 32.12 H new ATOM 0 HB3 PHE A 40 9.046 7.680 -3.592 1.00 32.12 H new ATOM 0 HD1 PHE A 40 10.723 8.840 -0.455 1.00 13.04 H new ATOM 0 HD2 PHE A 40 7.049 8.386 -2.571 1.00 61.04 H new ATOM 0 HE1 PHE A 40 9.563 10.131 1.283 1.00 21.50 H new ATOM 0 HE2 PHE A 40 5.890 9.679 -0.835 1.00 55.33 H new ATOM 0 HZ PHE A 40 7.145 10.554 1.096 1.00 1.14 H new ATOM 625 N LEU A 41 7.969 5.117 -2.806 1.00 32.05 N ATOM 626 CA LEU A 41 6.758 4.340 -2.513 1.00 61.42 C ATOM 627 C LEU A 41 7.097 2.977 -1.889 1.00 51.12 C ATOM 628 O LEU A 41 6.592 2.634 -0.821 1.00 31.44 O ATOM 629 CB LEU A 41 5.928 4.142 -3.790 1.00 32.12 C ATOM 630 CG LEU A 41 5.326 5.422 -4.395 1.00 21.35 C ATOM 631 CD1 LEU A 41 4.560 5.102 -5.676 1.00 73.12 C ATOM 632 CD2 LEU A 41 4.420 6.122 -3.382 1.00 75.04 C ATOM 0 H LEU A 41 8.110 5.315 -3.797 1.00 32.05 H new ATOM 0 HA LEU A 41 6.172 4.905 -1.788 1.00 61.42 H new ATOM 0 HB2 LEU A 41 6.558 3.668 -4.542 1.00 32.12 H new ATOM 0 HB3 LEU A 41 5.116 3.448 -3.571 1.00 32.12 H new ATOM 0 HG LEU A 41 6.142 6.099 -4.646 1.00 21.35 H new ATOM 0 HD11 LEU A 41 4.142 6.020 -6.089 1.00 73.12 H new ATOM 0 HD12 LEU A 41 5.237 4.653 -6.402 1.00 73.12 H new ATOM 0 HD13 LEU A 41 3.753 4.404 -5.453 1.00 73.12 H new ATOM 0 HD21 LEU A 41 4.004 7.025 -3.829 1.00 75.04 H new ATOM 0 HD22 LEU A 41 3.609 5.452 -3.095 1.00 75.04 H new ATOM 0 HD23 LEU A 41 5.000 6.389 -2.498 1.00 75.04 H new ATOM 644 N GLN A 42 7.965 2.214 -2.556 1.00 74.31 N ATOM 645 CA GLN A 42 8.377 0.886 -2.072 1.00 3.21 C ATOM 646 C GLN A 42 8.851 0.951 -0.611 1.00 61.40 C ATOM 647 O GLN A 42 8.410 0.168 0.230 1.00 5.23 O ATOM 648 CB GLN A 42 9.486 0.324 -2.986 1.00 1.42 C ATOM 649 CG GLN A 42 9.834 -1.158 -2.776 1.00 24.01 C ATOM 650 CD GLN A 42 10.718 -1.424 -1.561 1.00 61.01 C ATOM 651 OE1 GLN A 42 10.114 -1.775 -0.442 1.00 12.35 O flip ATOM 652 NE2 GLN A 42 11.939 -1.351 -1.640 1.00 75.24 N flip ATOM 0 H GLN A 42 8.400 2.490 -3.436 1.00 74.31 H new ATOM 0 HA GLN A 42 7.516 0.218 -2.106 1.00 3.21 H new ATOM 0 HB2 GLN A 42 9.182 0.464 -4.023 1.00 1.42 H new ATOM 0 HB3 GLN A 42 10.389 0.915 -2.836 1.00 1.42 H new ATOM 0 HG2 GLN A 42 8.910 -1.726 -2.671 1.00 24.01 H new ATOM 0 HG3 GLN A 42 10.338 -1.532 -3.667 1.00 24.01 H new ATOM 0 HE21 GLN A 42 12.378 -1.077 -2.519 1.00 75.24 H new ATOM 0 HE22 GLN A 42 12.516 -1.565 -0.827 1.00 75.24 H new ATOM 661 N ALA A 43 9.732 1.905 -0.317 1.00 4.51 N ATOM 662 CA ALA A 43 10.265 2.074 1.039 1.00 51.11 C ATOM 663 C ALA A 43 9.161 2.417 2.057 1.00 61.14 C ATOM 664 O ALA A 43 9.165 1.919 3.182 1.00 72.01 O ATOM 665 CB ALA A 43 11.343 3.154 1.046 1.00 14.15 C ATOM 0 H ALA A 43 10.094 2.574 -0.997 1.00 4.51 H new ATOM 0 HA ALA A 43 10.701 1.122 1.341 1.00 51.11 H new ATOM 0 HB1 ALA A 43 11.733 3.272 2.057 1.00 14.15 H new ATOM 0 HB2 ALA A 43 12.153 2.864 0.376 1.00 14.15 H new ATOM 0 HB3 ALA A 43 10.914 4.098 0.710 1.00 14.15 H new ATOM 671 N SER A 44 8.217 3.263 1.648 1.00 74.32 N ATOM 672 CA SER A 44 7.122 3.704 2.533 1.00 4.25 C ATOM 673 C SER A 44 6.088 2.591 2.766 1.00 52.25 C ATOM 674 O SER A 44 5.513 2.476 3.850 1.00 74.44 O ATOM 675 CB SER A 44 6.425 4.939 1.941 1.00 50.15 C ATOM 676 OG SER A 44 7.348 5.998 1.717 1.00 63.40 O ATOM 0 H SER A 44 8.182 3.661 0.710 1.00 74.32 H new ATOM 0 HA SER A 44 7.566 3.957 3.496 1.00 4.25 H new ATOM 0 HB2 SER A 44 5.942 4.671 1.002 1.00 50.15 H new ATOM 0 HB3 SER A 44 5.640 5.275 2.618 1.00 50.15 H new ATOM 0 HG SER A 44 7.843 5.830 0.888 1.00 63.40 H new ATOM 682 N LEU A 45 5.858 1.772 1.746 1.00 63.35 N ATOM 683 CA LEU A 45 4.851 0.705 1.813 1.00 54.24 C ATOM 684 C LEU A 45 5.461 -0.625 2.294 1.00 51.22 C ATOM 685 O LEU A 45 4.743 -1.604 2.501 1.00 63.13 O ATOM 686 CB LEU A 45 4.206 0.518 0.431 1.00 74.22 C ATOM 687 CG LEU A 45 3.609 1.794 -0.192 1.00 41.31 C ATOM 688 CD1 LEU A 45 3.026 1.498 -1.571 1.00 12.24 C ATOM 689 CD2 LEU A 45 2.551 2.401 0.728 1.00 33.22 C ATOM 0 H LEU A 45 6.355 1.822 0.857 1.00 63.35 H new ATOM 0 HA LEU A 45 4.093 1.001 2.538 1.00 54.24 H new ATOM 0 HB2 LEU A 45 4.956 0.116 -0.251 1.00 74.22 H new ATOM 0 HB3 LEU A 45 3.417 -0.230 0.514 1.00 74.22 H new ATOM 0 HG LEU A 45 4.410 2.523 -0.312 1.00 41.31 H new ATOM 0 HD11 LEU A 45 2.609 2.412 -1.994 1.00 12.24 H new ATOM 0 HD12 LEU A 45 3.812 1.121 -2.225 1.00 12.24 H new ATOM 0 HD13 LEU A 45 2.239 0.749 -1.480 1.00 12.24 H new ATOM 0 HD21 LEU A 45 2.143 3.301 0.269 1.00 33.22 H new ATOM 0 HD22 LEU A 45 1.750 1.679 0.887 1.00 33.22 H new ATOM 0 HD23 LEU A 45 3.005 2.656 1.686 1.00 33.22 H new ATOM 701 N LYS A 46 6.781 -0.635 2.490 1.00 21.33 N ATOM 702 CA LYS A 46 7.525 -1.848 2.863 1.00 61.35 C ATOM 703 C LYS A 46 6.920 -2.573 4.083 1.00 41.03 C ATOM 704 O LYS A 46 6.654 -3.775 4.033 1.00 74.03 O ATOM 705 CB LYS A 46 8.988 -1.477 3.147 1.00 23.11 C ATOM 706 CG LYS A 46 9.864 -2.655 3.561 1.00 70.44 C ATOM 707 CD LYS A 46 11.316 -2.235 3.778 1.00 41.11 C ATOM 708 CE LYS A 46 12.189 -3.422 4.162 1.00 40.13 C ATOM 709 NZ LYS A 46 13.621 -3.047 4.288 1.00 14.44 N ATOM 0 H LYS A 46 7.367 0.194 2.396 1.00 21.33 H new ATOM 0 HA LYS A 46 7.461 -2.541 2.024 1.00 61.35 H new ATOM 0 HB2 LYS A 46 9.414 -1.018 2.255 1.00 23.11 H new ATOM 0 HB3 LYS A 46 9.014 -0.725 3.936 1.00 23.11 H new ATOM 0 HG2 LYS A 46 9.472 -3.094 4.478 1.00 70.44 H new ATOM 0 HG3 LYS A 46 9.820 -3.428 2.793 1.00 70.44 H new ATOM 0 HD2 LYS A 46 11.703 -1.777 2.868 1.00 41.11 H new ATOM 0 HD3 LYS A 46 11.364 -1.478 4.561 1.00 41.11 H new ATOM 0 HE2 LYS A 46 11.839 -3.837 5.107 1.00 40.13 H new ATOM 0 HE3 LYS A 46 12.085 -4.205 3.411 1.00 40.13 H new ATOM 0 HZ1 LYS A 46 14.178 -3.885 4.551 1.00 14.44 H new ATOM 0 HZ2 LYS A 46 13.964 -2.675 3.379 1.00 14.44 H new ATOM 0 HZ3 LYS A 46 13.726 -2.318 5.022 1.00 14.44 H new ATOM 723 N ASP A 47 6.706 -1.840 5.176 1.00 53.11 N ATOM 724 CA ASP A 47 6.188 -2.434 6.421 1.00 41.12 C ATOM 725 C ASP A 47 4.666 -2.687 6.370 1.00 61.34 C ATOM 726 O ASP A 47 4.075 -3.154 7.348 1.00 52.44 O ATOM 727 CB ASP A 47 6.534 -1.534 7.613 1.00 21.23 C ATOM 728 CG ASP A 47 8.033 -1.423 7.829 1.00 41.45 C ATOM 729 OD1 ASP A 47 8.625 -2.367 8.395 1.00 2.14 O ATOM 730 OD2 ASP A 47 8.625 -0.397 7.433 1.00 42.33 O ATOM 0 H ASP A 47 6.881 -0.837 5.230 1.00 53.11 H new ATOM 0 HA ASP A 47 6.668 -3.405 6.539 1.00 41.12 H new ATOM 0 HB2 ASP A 47 6.117 -0.540 7.449 1.00 21.23 H new ATOM 0 HB3 ASP A 47 6.067 -1.931 8.514 1.00 21.23 H new ATOM 735 N GLY A 48 4.032 -2.361 5.242 1.00 3.41 N ATOM 736 CA GLY A 48 2.599 -2.616 5.073 1.00 14.42 C ATOM 737 C GLY A 48 1.683 -1.625 5.800 1.00 70.24 C ATOM 738 O GLY A 48 0.580 -1.346 5.332 1.00 62.31 O ATOM 0 H GLY A 48 4.483 -1.924 4.438 1.00 3.41 H new ATOM 0 HA2 GLY A 48 2.363 -2.595 4.009 1.00 14.42 H new ATOM 0 HA3 GLY A 48 2.378 -3.622 5.429 1.00 14.42 H new ATOM 742 N VAL A 49 2.141 -1.092 6.938 1.00 32.41 N ATOM 743 CA VAL A 49 1.330 -0.189 7.780 1.00 15.31 C ATOM 744 C VAL A 49 0.611 0.911 6.968 1.00 32.32 C ATOM 745 O VAL A 49 -0.589 1.138 7.142 1.00 25.53 O ATOM 746 CB VAL A 49 2.196 0.477 8.881 1.00 44.44 C ATOM 747 CG1 VAL A 49 1.340 1.356 9.794 1.00 25.03 C ATOM 748 CG2 VAL A 49 2.948 -0.580 9.691 1.00 74.13 C ATOM 0 H VAL A 49 3.076 -1.269 7.304 1.00 32.41 H new ATOM 0 HA VAL A 49 0.567 -0.819 8.238 1.00 15.31 H new ATOM 0 HB VAL A 49 2.931 1.117 8.392 1.00 44.44 H new ATOM 0 HG11 VAL A 49 1.971 1.811 10.557 1.00 25.03 H new ATOM 0 HG12 VAL A 49 0.863 2.138 9.203 1.00 25.03 H new ATOM 0 HG13 VAL A 49 0.574 0.746 10.273 1.00 25.03 H new ATOM 0 HG21 VAL A 49 3.549 -0.091 10.458 1.00 74.13 H new ATOM 0 HG22 VAL A 49 2.233 -1.252 10.165 1.00 74.13 H new ATOM 0 HG23 VAL A 49 3.599 -1.151 9.029 1.00 74.13 H new ATOM 758 N VAL A 50 1.344 1.592 6.085 1.00 45.04 N ATOM 759 CA VAL A 50 0.747 2.636 5.235 1.00 52.31 C ATOM 760 C VAL A 50 -0.382 2.070 4.351 1.00 70.32 C ATOM 761 O VAL A 50 -1.423 2.706 4.175 1.00 11.43 O ATOM 762 CB VAL A 50 1.811 3.324 4.339 1.00 0.11 C ATOM 763 CG1 VAL A 50 1.175 4.395 3.448 1.00 0.42 C ATOM 764 CG2 VAL A 50 2.926 3.927 5.195 1.00 14.31 C ATOM 0 H VAL A 50 2.342 1.445 5.937 1.00 45.04 H new ATOM 0 HA VAL A 50 0.325 3.381 5.910 1.00 52.31 H new ATOM 0 HB VAL A 50 2.246 2.564 3.690 1.00 0.11 H new ATOM 0 HG11 VAL A 50 1.945 4.860 2.832 1.00 0.42 H new ATOM 0 HG12 VAL A 50 0.424 3.935 2.805 1.00 0.42 H new ATOM 0 HG13 VAL A 50 0.703 5.154 4.072 1.00 0.42 H new ATOM 0 HG21 VAL A 50 3.663 4.405 4.549 1.00 14.31 H new ATOM 0 HG22 VAL A 50 2.503 4.668 5.874 1.00 14.31 H new ATOM 0 HG23 VAL A 50 3.408 3.138 5.773 1.00 14.31 H new ATOM 774 N LEU A 51 -0.176 0.865 3.817 1.00 52.21 N ATOM 775 CA LEU A 51 -1.198 0.190 3.005 1.00 53.12 C ATOM 776 C LEU A 51 -2.449 -0.129 3.839 1.00 52.31 C ATOM 777 O LEU A 51 -3.576 -0.016 3.356 1.00 11.32 O ATOM 778 CB LEU A 51 -0.633 -1.102 2.399 1.00 45.43 C ATOM 779 CG LEU A 51 0.475 -0.912 1.354 1.00 74.42 C ATOM 780 CD1 LEU A 51 1.026 -2.262 0.897 1.00 71.43 C ATOM 781 CD2 LEU A 51 -0.041 -0.108 0.161 1.00 60.11 C ATOM 0 H LEU A 51 0.688 0.334 3.930 1.00 52.21 H new ATOM 0 HA LEU A 51 -1.485 0.868 2.201 1.00 53.12 H new ATOM 0 HB2 LEU A 51 -0.244 -1.722 3.207 1.00 45.43 H new ATOM 0 HB3 LEU A 51 -1.452 -1.655 1.939 1.00 45.43 H new ATOM 0 HG LEU A 51 1.288 -0.353 1.818 1.00 74.42 H new ATOM 0 HD11 LEU A 51 1.810 -2.103 0.157 1.00 71.43 H new ATOM 0 HD12 LEU A 51 1.438 -2.795 1.753 1.00 71.43 H new ATOM 0 HD13 LEU A 51 0.223 -2.852 0.455 1.00 71.43 H new ATOM 0 HD21 LEU A 51 0.760 0.016 -0.568 1.00 60.11 H new ATOM 0 HD22 LEU A 51 -0.874 -0.637 -0.301 1.00 60.11 H new ATOM 0 HD23 LEU A 51 -0.377 0.872 0.500 1.00 60.11 H new ATOM 793 N CYS A 52 -2.239 -0.530 5.092 1.00 22.23 N ATOM 794 CA CYS A 52 -3.347 -0.801 6.015 1.00 54.21 C ATOM 795 C CYS A 52 -4.204 0.458 6.226 1.00 41.22 C ATOM 796 O CYS A 52 -5.426 0.429 6.059 1.00 63.01 O ATOM 797 CB CYS A 52 -2.806 -1.304 7.355 1.00 15.11 C ATOM 798 SG CYS A 52 -1.734 -2.756 7.212 1.00 32.13 S ATOM 0 H CYS A 52 -1.313 -0.675 5.494 1.00 22.23 H new ATOM 0 HA CYS A 52 -3.978 -1.573 5.576 1.00 54.21 H new ATOM 0 HB2 CYS A 52 -2.250 -0.500 7.837 1.00 15.11 H new ATOM 0 HB3 CYS A 52 -3.645 -1.546 8.007 1.00 15.11 H new ATOM 0 HG CYS A 52 -0.709 -2.467 6.467 1.00 32.13 H new ATOM 804 N ARG A 53 -3.550 1.568 6.575 1.00 43.15 N ATOM 805 CA ARG A 53 -4.235 2.863 6.708 1.00 60.41 C ATOM 806 C ARG A 53 -4.930 3.256 5.392 1.00 53.33 C ATOM 807 O ARG A 53 -6.041 3.798 5.392 1.00 34.42 O ATOM 808 CB ARG A 53 -3.242 3.962 7.119 1.00 50.12 C ATOM 809 CG ARG A 53 -2.597 3.745 8.488 1.00 21.21 C ATOM 810 CD ARG A 53 -1.676 4.904 8.868 1.00 42.22 C ATOM 811 NE ARG A 53 -1.044 4.716 10.177 1.00 22.25 N ATOM 812 CZ ARG A 53 -0.749 5.699 10.992 1.00 33.03 C ATOM 813 NH1 ARG A 53 -1.072 6.916 10.694 1.00 52.44 N ATOM 814 NH2 ARG A 53 -0.141 5.457 12.107 1.00 4.00 N ATOM 0 H ARG A 53 -2.550 1.600 6.771 1.00 43.15 H new ATOM 0 HA ARG A 53 -4.992 2.760 7.485 1.00 60.41 H new ATOM 0 HB2 ARG A 53 -2.456 4.026 6.366 1.00 50.12 H new ATOM 0 HB3 ARG A 53 -3.760 4.921 7.122 1.00 50.12 H new ATOM 0 HG2 ARG A 53 -3.375 3.635 9.244 1.00 21.21 H new ATOM 0 HG3 ARG A 53 -2.028 2.815 8.479 1.00 21.21 H new ATOM 0 HD2 ARG A 53 -0.903 5.013 8.108 1.00 42.22 H new ATOM 0 HD3 ARG A 53 -2.249 5.831 8.875 1.00 42.22 H new ATOM 0 HE ARG A 53 -0.821 3.765 10.471 1.00 22.25 H new ATOM 0 HH11 ARG A 53 -1.559 7.115 9.820 1.00 52.44 H new ATOM 0 HH12 ARG A 53 -0.839 7.676 11.333 1.00 52.44 H new ATOM 0 HH21 ARG A 53 0.110 4.500 12.354 1.00 4.00 H new ATOM 0 HH22 ARG A 53 0.088 6.223 12.740 1.00 4.00 H new ATOM 828 N LEU A 54 -4.259 2.978 4.274 1.00 44.35 N ATOM 829 CA LEU A 54 -4.801 3.238 2.934 1.00 44.22 C ATOM 830 C LEU A 54 -6.140 2.519 2.719 1.00 2.13 C ATOM 831 O LEU A 54 -7.130 3.133 2.313 1.00 3.13 O ATOM 832 CB LEU A 54 -3.785 2.791 1.869 1.00 54.52 C ATOM 833 CG LEU A 54 -4.235 2.935 0.405 1.00 10.44 C ATOM 834 CD1 LEU A 54 -4.502 4.396 0.055 1.00 73.52 C ATOM 835 CD2 LEU A 54 -3.189 2.334 -0.534 1.00 42.50 C ATOM 0 H LEU A 54 -3.326 2.567 4.268 1.00 44.35 H new ATOM 0 HA LEU A 54 -4.981 4.309 2.842 1.00 44.22 H new ATOM 0 HB2 LEU A 54 -2.869 3.366 2.005 1.00 54.52 H new ATOM 0 HB3 LEU A 54 -3.535 1.746 2.050 1.00 54.52 H new ATOM 0 HG LEU A 54 -5.169 2.387 0.279 1.00 10.44 H new ATOM 0 HD11 LEU A 54 -4.819 4.469 -0.985 1.00 73.52 H new ATOM 0 HD12 LEU A 54 -5.287 4.787 0.702 1.00 73.52 H new ATOM 0 HD13 LEU A 54 -3.591 4.977 0.199 1.00 73.52 H new ATOM 0 HD21 LEU A 54 -3.521 2.443 -1.566 1.00 42.50 H new ATOM 0 HD22 LEU A 54 -2.240 2.853 -0.401 1.00 42.50 H new ATOM 0 HD23 LEU A 54 -3.059 1.276 -0.305 1.00 42.50 H new ATOM 847 N LEU A 55 -6.167 1.222 3.006 1.00 64.45 N ATOM 848 CA LEU A 55 -7.372 0.417 2.811 1.00 13.23 C ATOM 849 C LEU A 55 -8.507 0.862 3.753 1.00 52.32 C ATOM 850 O LEU A 55 -9.677 0.744 3.413 1.00 42.55 O ATOM 851 CB LEU A 55 -7.048 -1.072 3.007 1.00 71.21 C ATOM 852 CG LEU A 55 -8.160 -2.052 2.591 1.00 30.13 C ATOM 853 CD1 LEU A 55 -8.548 -1.841 1.128 1.00 21.34 C ATOM 854 CD2 LEU A 55 -7.718 -3.497 2.828 1.00 60.43 C ATOM 0 H LEU A 55 -5.369 0.704 3.374 1.00 64.45 H new ATOM 0 HA LEU A 55 -7.721 0.569 1.790 1.00 13.23 H new ATOM 0 HB2 LEU A 55 -6.148 -1.308 2.439 1.00 71.21 H new ATOM 0 HB3 LEU A 55 -6.814 -1.240 4.058 1.00 71.21 H new ATOM 0 HG LEU A 55 -9.037 -1.855 3.207 1.00 30.13 H new ATOM 0 HD11 LEU A 55 -9.335 -2.544 0.855 1.00 21.34 H new ATOM 0 HD12 LEU A 55 -8.908 -0.821 0.991 1.00 21.34 H new ATOM 0 HD13 LEU A 55 -7.678 -2.007 0.493 1.00 21.34 H new ATOM 0 HD21 LEU A 55 -8.517 -4.176 2.528 1.00 60.43 H new ATOM 0 HD22 LEU A 55 -6.825 -3.705 2.239 1.00 60.43 H new ATOM 0 HD23 LEU A 55 -7.497 -3.641 3.886 1.00 60.43 H new ATOM 866 N GLU A 56 -8.154 1.384 4.930 1.00 73.22 N ATOM 867 CA GLU A 56 -9.153 1.923 5.872 1.00 52.11 C ATOM 868 C GLU A 56 -9.760 3.253 5.383 1.00 31.23 C ATOM 869 O GLU A 56 -10.899 3.585 5.718 1.00 74.40 O ATOM 870 CB GLU A 56 -8.536 2.108 7.266 1.00 54.24 C ATOM 871 CG GLU A 56 -8.344 0.803 8.031 1.00 42.42 C ATOM 872 CD GLU A 56 -9.668 0.136 8.392 1.00 3.52 C ATOM 873 OE1 GLU A 56 -10.253 0.499 9.435 1.00 43.21 O ATOM 874 OE2 GLU A 56 -10.132 -0.745 7.635 1.00 51.24 O ATOM 0 H GLU A 56 -7.190 1.447 5.258 1.00 73.22 H new ATOM 0 HA GLU A 56 -9.961 1.194 5.929 1.00 52.11 H new ATOM 0 HB2 GLU A 56 -7.571 2.604 7.163 1.00 54.24 H new ATOM 0 HB3 GLU A 56 -9.174 2.771 7.851 1.00 54.24 H new ATOM 0 HG2 GLU A 56 -7.748 0.117 7.429 1.00 42.42 H new ATOM 0 HG3 GLU A 56 -7.780 1.000 8.943 1.00 42.42 H new ATOM 881 N ARG A 57 -8.993 4.026 4.615 1.00 50.31 N ATOM 882 CA ARG A 57 -9.516 5.250 3.991 1.00 14.21 C ATOM 883 C ARG A 57 -10.533 4.915 2.891 1.00 65.13 C ATOM 884 O ARG A 57 -11.572 5.564 2.762 1.00 43.01 O ATOM 885 CB ARG A 57 -8.371 6.084 3.392 1.00 52.35 C ATOM 886 CG ARG A 57 -7.442 6.698 4.431 1.00 43.42 C ATOM 887 CD ARG A 57 -8.138 7.773 5.260 1.00 45.44 C ATOM 888 NE ARG A 57 -7.277 8.276 6.325 1.00 11.22 N ATOM 889 CZ ARG A 57 -7.216 9.525 6.699 1.00 31.45 C ATOM 890 NH1 ARG A 57 -7.906 10.435 6.085 1.00 61.41 N ATOM 891 NH2 ARG A 57 -6.454 9.867 7.682 1.00 24.21 N ATOM 0 H ARG A 57 -8.013 3.832 4.408 1.00 50.31 H new ATOM 0 HA ARG A 57 -10.015 5.830 4.768 1.00 14.21 H new ATOM 0 HB2 ARG A 57 -7.785 5.452 2.725 1.00 52.35 H new ATOM 0 HB3 ARG A 57 -8.796 6.882 2.783 1.00 52.35 H new ATOM 0 HG2 ARG A 57 -7.070 5.915 5.092 1.00 43.42 H new ATOM 0 HG3 ARG A 57 -6.575 7.131 3.931 1.00 43.42 H new ATOM 0 HD2 ARG A 57 -8.434 8.598 4.612 1.00 45.44 H new ATOM 0 HD3 ARG A 57 -9.051 7.364 5.693 1.00 45.44 H new ATOM 0 HE ARG A 57 -6.682 7.605 6.811 1.00 11.22 H new ATOM 0 HH11 ARG A 57 -8.505 10.178 5.300 1.00 61.41 H new ATOM 0 HH12 ARG A 57 -7.850 11.408 6.387 1.00 61.41 H new ATOM 0 HH21 ARG A 57 -5.899 9.161 8.167 1.00 24.21 H new ATOM 0 HH22 ARG A 57 -6.406 10.843 7.975 1.00 24.21 H new ATOM 905 N LEU A 58 -10.217 3.892 2.109 1.00 72.24 N ATOM 906 CA LEU A 58 -11.029 3.504 0.952 1.00 51.43 C ATOM 907 C LEU A 58 -12.182 2.565 1.352 1.00 53.13 C ATOM 908 O LEU A 58 -13.347 2.821 1.042 1.00 1.44 O ATOM 909 CB LEU A 58 -10.121 2.834 -0.085 1.00 73.24 C ATOM 910 CG LEU A 58 -8.883 3.661 -0.472 1.00 53.25 C ATOM 911 CD1 LEU A 58 -7.973 2.875 -1.406 1.00 22.23 C ATOM 912 CD2 LEU A 58 -9.295 4.990 -1.103 1.00 32.11 C ATOM 0 H LEU A 58 -9.395 3.306 2.254 1.00 72.24 H new ATOM 0 HA LEU A 58 -11.484 4.398 0.526 1.00 51.43 H new ATOM 0 HB2 LEU A 58 -9.792 1.871 0.306 1.00 73.24 H new ATOM 0 HB3 LEU A 58 -10.704 2.632 -0.984 1.00 73.24 H new ATOM 0 HG LEU A 58 -8.323 3.877 0.438 1.00 53.25 H new ATOM 0 HD11 LEU A 58 -7.105 3.482 -1.665 1.00 22.23 H new ATOM 0 HD12 LEU A 58 -7.643 1.963 -0.909 1.00 22.23 H new ATOM 0 HD13 LEU A 58 -8.519 2.617 -2.314 1.00 22.23 H new ATOM 0 HD21 LEU A 58 -8.404 5.558 -1.369 1.00 32.11 H new ATOM 0 HD22 LEU A 58 -9.885 4.800 -2.000 1.00 32.11 H new ATOM 0 HD23 LEU A 58 -9.891 5.561 -0.391 1.00 32.11 H new ATOM 924 N LEU A 59 -11.841 1.472 2.032 1.00 13.44 N ATOM 925 CA LEU A 59 -12.833 0.525 2.561 1.00 5.43 C ATOM 926 C LEU A 59 -12.760 0.466 4.100 1.00 33.21 C ATOM 927 O LEU A 59 -12.086 -0.395 4.667 1.00 44.52 O ATOM 928 CB LEU A 59 -12.606 -0.875 1.966 1.00 21.11 C ATOM 929 CG LEU A 59 -12.707 -0.966 0.435 1.00 2.11 C ATOM 930 CD1 LEU A 59 -12.409 -2.386 -0.042 1.00 53.35 C ATOM 931 CD2 LEU A 59 -14.087 -0.517 -0.046 1.00 40.53 C ATOM 0 H LEU A 59 -10.875 1.214 2.234 1.00 13.44 H new ATOM 0 HA LEU A 59 -13.826 0.872 2.274 1.00 5.43 H new ATOM 0 HB2 LEU A 59 -11.619 -1.224 2.269 1.00 21.11 H new ATOM 0 HB3 LEU A 59 -13.334 -1.559 2.402 1.00 21.11 H new ATOM 0 HG LEU A 59 -11.962 -0.296 0.006 1.00 2.11 H new ATOM 0 HD11 LEU A 59 -12.486 -2.429 -1.128 1.00 53.35 H new ATOM 0 HD12 LEU A 59 -11.401 -2.668 0.262 1.00 53.35 H new ATOM 0 HD13 LEU A 59 -13.127 -3.077 0.400 1.00 53.35 H new ATOM 0 HD21 LEU A 59 -14.135 -0.590 -1.132 1.00 40.53 H new ATOM 0 HD22 LEU A 59 -14.852 -1.156 0.395 1.00 40.53 H new ATOM 0 HD23 LEU A 59 -14.259 0.516 0.256 1.00 40.53 H new ATOM 943 N PRO A 60 -13.453 1.391 4.794 1.00 11.20 N ATOM 944 CA PRO A 60 -13.381 1.506 6.264 1.00 11.02 C ATOM 945 C PRO A 60 -13.921 0.269 7.006 1.00 34.23 C ATOM 946 O PRO A 60 -15.076 -0.128 6.830 1.00 63.22 O ATOM 947 CB PRO A 60 -14.244 2.744 6.568 1.00 15.30 C ATOM 948 CG PRO A 60 -15.153 2.876 5.393 1.00 53.10 C ATOM 949 CD PRO A 60 -14.363 2.394 4.207 1.00 31.35 C ATOM 0 HA PRO A 60 -12.349 1.589 6.604 1.00 11.02 H new ATOM 0 HB2 PRO A 60 -14.808 2.615 7.492 1.00 15.30 H new ATOM 0 HB3 PRO A 60 -13.628 3.634 6.693 1.00 15.30 H new ATOM 0 HG2 PRO A 60 -16.056 2.281 5.529 1.00 53.10 H new ATOM 0 HG3 PRO A 60 -15.470 3.910 5.258 1.00 53.10 H new ATOM 0 HD2 PRO A 60 -15.007 1.956 3.445 1.00 31.35 H new ATOM 0 HD3 PRO A 60 -13.814 3.207 3.732 1.00 31.35 H new ATOM 957 N GLY A 61 -13.073 -0.334 7.839 1.00 33.10 N ATOM 958 CA GLY A 61 -13.477 -1.498 8.619 1.00 42.51 C ATOM 959 C GLY A 61 -13.076 -2.820 7.978 1.00 64.43 C ATOM 960 O GLY A 61 -13.642 -3.870 8.289 1.00 43.31 O ATOM 0 H GLY A 61 -12.109 -0.037 7.989 1.00 33.10 H new ATOM 0 HA2 GLY A 61 -13.032 -1.434 9.612 1.00 42.51 H new ATOM 0 HA3 GLY A 61 -14.559 -1.480 8.752 1.00 42.51 H new ATOM 964 N THR A 62 -12.099 -2.774 7.076 1.00 32.21 N ATOM 965 CA THR A 62 -11.600 -3.983 6.411 1.00 4.23 C ATOM 966 C THR A 62 -10.360 -4.529 7.126 1.00 31.24 C ATOM 967 O THR A 62 -10.220 -5.741 7.319 1.00 20.32 O ATOM 968 CB THR A 62 -11.249 -3.715 4.929 1.00 64.24 C ATOM 969 OG1 THR A 62 -12.399 -3.209 4.235 1.00 53.34 O ATOM 970 CG2 THR A 62 -10.767 -4.987 4.241 1.00 71.03 C ATOM 0 H THR A 62 -11.634 -1.914 6.786 1.00 32.21 H new ATOM 0 HA THR A 62 -12.401 -4.721 6.455 1.00 4.23 H new ATOM 0 HB THR A 62 -10.447 -2.977 4.903 1.00 64.24 H new ATOM 0 HG1 THR A 62 -12.419 -2.232 4.305 1.00 53.34 H new ATOM 0 HG21 THR A 62 -10.527 -4.769 3.200 1.00 71.03 H new ATOM 0 HG22 THR A 62 -9.877 -5.360 4.748 1.00 71.03 H new ATOM 0 HG23 THR A 62 -11.552 -5.743 4.282 1.00 71.03 H new ATOM 978 N ILE A 63 -9.465 -3.626 7.526 1.00 22.31 N ATOM 979 CA ILE A 63 -8.262 -4.009 8.265 1.00 21.12 C ATOM 980 C ILE A 63 -8.631 -4.497 9.671 1.00 62.34 C ATOM 981 O ILE A 63 -8.938 -3.696 10.557 1.00 45.44 O ATOM 982 CB ILE A 63 -7.267 -2.825 8.379 1.00 72.42 C ATOM 983 CG1 ILE A 63 -6.905 -2.286 6.984 1.00 15.20 C ATOM 984 CG2 ILE A 63 -6.010 -3.235 9.149 1.00 45.23 C ATOM 985 CD1 ILE A 63 -6.229 -3.296 6.081 1.00 23.10 C ATOM 0 H ILE A 63 -9.550 -2.625 7.351 1.00 22.31 H new ATOM 0 HA ILE A 63 -7.781 -4.816 7.711 1.00 21.12 H new ATOM 0 HB ILE A 63 -7.754 -2.026 8.938 1.00 72.42 H new ATOM 0 HG12 ILE A 63 -7.814 -1.932 6.497 1.00 15.20 H new ATOM 0 HG13 ILE A 63 -6.249 -1.423 7.100 1.00 15.20 H new ATOM 0 HG21 ILE A 63 -5.330 -2.386 9.214 1.00 45.23 H new ATOM 0 HG22 ILE A 63 -6.287 -3.556 10.153 1.00 45.23 H new ATOM 0 HG23 ILE A 63 -5.517 -4.056 8.629 1.00 45.23 H new ATOM 0 HD11 ILE A 63 -6.009 -2.834 5.119 1.00 23.10 H new ATOM 0 HD12 ILE A 63 -5.301 -3.633 6.543 1.00 23.10 H new ATOM 0 HD13 ILE A 63 -6.890 -4.149 5.931 1.00 23.10 H new ATOM 997 N GLU A 64 -8.611 -5.808 9.875 1.00 43.14 N ATOM 998 CA GLU A 64 -9.008 -6.387 11.160 1.00 74.15 C ATOM 999 C GLU A 64 -7.867 -6.297 12.185 1.00 52.23 C ATOM 1000 O GLU A 64 -8.085 -5.937 13.346 1.00 4.10 O ATOM 1001 CB GLU A 64 -9.445 -7.849 10.990 1.00 62.14 C ATOM 1002 CG GLU A 64 -10.104 -8.425 12.240 1.00 50.51 C ATOM 1003 CD GLU A 64 -10.444 -9.902 12.119 1.00 11.02 C ATOM 1004 OE1 GLU A 64 -11.394 -10.243 11.390 1.00 61.13 O ATOM 1005 OE2 GLU A 64 -9.775 -10.726 12.780 1.00 15.43 O ATOM 0 H GLU A 64 -8.326 -6.491 9.173 1.00 43.14 H new ATOM 0 HA GLU A 64 -9.854 -5.809 11.533 1.00 74.15 H new ATOM 0 HB2 GLU A 64 -10.141 -7.919 10.154 1.00 62.14 H new ATOM 0 HB3 GLU A 64 -8.576 -8.454 10.733 1.00 62.14 H new ATOM 0 HG2 GLU A 64 -9.438 -8.282 13.091 1.00 50.51 H new ATOM 0 HG3 GLU A 64 -11.016 -7.866 12.451 1.00 50.51 H new ATOM 1012 N LYS A 65 -6.651 -6.627 11.756 1.00 53.55 N ATOM 1013 CA LYS A 65 -5.481 -6.550 12.634 1.00 52.43 C ATOM 1014 C LYS A 65 -4.221 -6.129 11.868 1.00 25.04 C ATOM 1015 O LYS A 65 -3.879 -6.705 10.834 1.00 31.21 O ATOM 1016 CB LYS A 65 -5.233 -7.893 13.333 1.00 25.44 C ATOM 1017 CG LYS A 65 -4.035 -7.868 14.278 1.00 43.21 C ATOM 1018 CD LYS A 65 -3.864 -9.183 15.031 1.00 22.03 C ATOM 1019 CE LYS A 65 -2.721 -9.106 16.039 1.00 10.23 C ATOM 1020 NZ LYS A 65 -2.902 -7.986 17.006 1.00 21.11 N ATOM 0 H LYS A 65 -6.448 -6.949 10.810 1.00 53.55 H new ATOM 0 HA LYS A 65 -5.696 -5.789 13.384 1.00 52.43 H new ATOM 0 HB2 LYS A 65 -6.124 -8.173 13.894 1.00 25.44 H new ATOM 0 HB3 LYS A 65 -5.076 -8.664 12.579 1.00 25.44 H new ATOM 0 HG2 LYS A 65 -3.130 -7.658 13.708 1.00 43.21 H new ATOM 0 HG3 LYS A 65 -4.157 -7.055 14.994 1.00 43.21 H new ATOM 0 HD2 LYS A 65 -4.791 -9.430 15.549 1.00 22.03 H new ATOM 0 HD3 LYS A 65 -3.671 -9.987 14.321 1.00 22.03 H new ATOM 0 HE2 LYS A 65 -2.654 -10.048 16.584 1.00 10.23 H new ATOM 0 HE3 LYS A 65 -1.778 -8.977 15.508 1.00 10.23 H new ATOM 0 HZ1 LYS A 65 -2.284 -8.135 17.829 1.00 21.11 H new ATOM 0 HZ2 LYS A 65 -2.656 -7.087 16.546 1.00 21.11 H new ATOM 0 HZ3 LYS A 65 -3.893 -7.954 17.319 1.00 21.11 H new ATOM 1034 N VAL A 66 -3.530 -5.129 12.398 1.00 61.12 N ATOM 1035 CA VAL A 66 -2.274 -4.652 11.820 1.00 11.01 C ATOM 1036 C VAL A 66 -1.189 -4.530 12.901 1.00 23.24 C ATOM 1037 O VAL A 66 -1.492 -4.364 14.085 1.00 71.45 O ATOM 1038 CB VAL A 66 -2.467 -3.280 11.115 1.00 51.34 C ATOM 1039 CG1 VAL A 66 -2.930 -2.214 12.109 1.00 73.34 C ATOM 1040 CG2 VAL A 66 -1.188 -2.841 10.399 1.00 2.33 C ATOM 0 H VAL A 66 -3.820 -4.626 13.237 1.00 61.12 H new ATOM 0 HA VAL A 66 -1.956 -5.384 11.077 1.00 11.01 H new ATOM 0 HB VAL A 66 -3.246 -3.400 10.362 1.00 51.34 H new ATOM 0 HG11 VAL A 66 -3.057 -1.264 11.590 1.00 73.34 H new ATOM 0 HG12 VAL A 66 -3.879 -2.516 12.551 1.00 73.34 H new ATOM 0 HG13 VAL A 66 -2.184 -2.101 12.895 1.00 73.34 H new ATOM 0 HG21 VAL A 66 -1.354 -1.878 9.915 1.00 2.33 H new ATOM 0 HG22 VAL A 66 -0.379 -2.749 11.123 1.00 2.33 H new ATOM 0 HG23 VAL A 66 -0.919 -3.583 9.647 1.00 2.33 H new ATOM 1050 N TYR A 67 0.067 -4.647 12.494 1.00 74.43 N ATOM 1051 CA TYR A 67 1.209 -4.431 13.388 1.00 71.02 C ATOM 1052 C TYR A 67 1.859 -3.069 13.099 1.00 50.50 C ATOM 1053 O TYR A 67 2.756 -2.964 12.257 1.00 33.02 O ATOM 1054 CB TYR A 67 2.239 -5.559 13.225 1.00 2.24 C ATOM 1055 CG TYR A 67 1.687 -6.936 13.558 1.00 34.32 C ATOM 1056 CD1 TYR A 67 0.974 -7.673 12.615 1.00 21.12 C ATOM 1057 CD2 TYR A 67 1.870 -7.495 14.819 1.00 35.24 C ATOM 1058 CE1 TYR A 67 0.464 -8.921 12.922 1.00 53.41 C ATOM 1059 CE2 TYR A 67 1.364 -8.742 15.127 1.00 45.03 C ATOM 1060 CZ TYR A 67 0.663 -9.449 14.177 1.00 43.34 C ATOM 1061 OH TYR A 67 0.156 -10.691 14.486 1.00 61.41 O ATOM 0 H TYR A 67 0.329 -4.893 11.539 1.00 74.43 H new ATOM 0 HA TYR A 67 0.851 -4.436 14.417 1.00 71.02 H new ATOM 0 HB2 TYR A 67 2.604 -5.561 12.198 1.00 2.24 H new ATOM 0 HB3 TYR A 67 3.095 -5.354 13.868 1.00 2.24 H new ATOM 0 HD1 TYR A 67 0.817 -7.263 11.628 1.00 21.12 H new ATOM 0 HD2 TYR A 67 2.417 -6.944 15.570 1.00 35.24 H new ATOM 0 HE1 TYR A 67 -0.088 -9.479 12.180 1.00 53.41 H new ATOM 0 HE2 TYR A 67 1.518 -9.161 16.110 1.00 45.03 H new ATOM 0 HH TYR A 67 0.386 -10.917 15.411 1.00 61.41 H new ATOM 1071 N PRO A 68 1.398 -1.999 13.780 1.00 21.44 N ATOM 1072 CA PRO A 68 1.910 -0.637 13.557 1.00 43.32 C ATOM 1073 C PRO A 68 3.359 -0.463 14.042 1.00 33.51 C ATOM 1074 O PRO A 68 4.011 0.541 13.744 1.00 70.24 O ATOM 1075 CB PRO A 68 0.946 0.239 14.369 1.00 65.22 C ATOM 1076 CG PRO A 68 0.427 -0.661 15.437 1.00 23.22 C ATOM 1077 CD PRO A 68 0.345 -2.030 14.817 1.00 11.42 C ATOM 0 HA PRO A 68 1.946 -0.380 12.498 1.00 43.32 H new ATOM 0 HB2 PRO A 68 1.458 1.103 14.793 1.00 65.22 H new ATOM 0 HB3 PRO A 68 0.138 0.621 13.746 1.00 65.22 H new ATOM 0 HG2 PRO A 68 1.090 -0.663 16.303 1.00 23.22 H new ATOM 0 HG3 PRO A 68 -0.552 -0.330 15.785 1.00 23.22 H new ATOM 0 HD2 PRO A 68 0.527 -2.815 15.551 1.00 11.42 H new ATOM 0 HD3 PRO A 68 -0.638 -2.218 14.386 1.00 11.42 H new ATOM 1085 N GLU A 69 3.847 -1.437 14.808 1.00 62.00 N ATOM 1086 CA GLU A 69 5.251 -1.471 15.242 1.00 33.21 C ATOM 1087 C GLU A 69 5.869 -2.851 14.946 1.00 55.35 C ATOM 1088 O GLU A 69 6.034 -3.679 15.844 1.00 44.03 O ATOM 1089 CB GLU A 69 5.354 -1.149 16.744 1.00 44.34 C ATOM 1090 CG GLU A 69 4.746 0.196 17.133 1.00 60.23 C ATOM 1091 CD GLU A 69 4.860 0.485 18.621 1.00 12.14 C ATOM 1092 OE1 GLU A 69 5.880 1.073 19.044 1.00 25.13 O ATOM 1093 OE2 GLU A 69 3.934 0.121 19.375 1.00 5.15 O ATOM 0 H GLU A 69 3.289 -2.221 15.146 1.00 62.00 H new ATOM 0 HA GLU A 69 5.806 -0.715 14.686 1.00 33.21 H new ATOM 0 HB2 GLU A 69 4.858 -1.938 17.309 1.00 44.34 H new ATOM 0 HB3 GLU A 69 6.404 -1.160 17.036 1.00 44.34 H new ATOM 0 HG2 GLU A 69 5.243 0.989 16.574 1.00 60.23 H new ATOM 0 HG3 GLU A 69 3.695 0.212 16.844 1.00 60.23 H new ATOM 1100 N PRO A 70 6.189 -3.132 13.667 1.00 71.21 N ATOM 1101 CA PRO A 70 6.704 -4.442 13.253 1.00 33.35 C ATOM 1102 C PRO A 70 8.211 -4.618 13.521 1.00 21.45 C ATOM 1103 O PRO A 70 9.057 -3.999 12.867 1.00 5.11 O ATOM 1104 CB PRO A 70 6.402 -4.460 11.752 1.00 4.21 C ATOM 1105 CG PRO A 70 6.484 -3.029 11.329 1.00 13.04 C ATOM 1106 CD PRO A 70 6.065 -2.201 12.525 1.00 64.34 C ATOM 0 HA PRO A 70 6.246 -5.259 13.811 1.00 33.35 H new ATOM 0 HB2 PRO A 70 7.122 -5.074 11.211 1.00 4.21 H new ATOM 0 HB3 PRO A 70 5.414 -4.876 11.552 1.00 4.21 H new ATOM 0 HG2 PRO A 70 7.497 -2.774 11.017 1.00 13.04 H new ATOM 0 HG3 PRO A 70 5.831 -2.838 10.478 1.00 13.04 H new ATOM 0 HD2 PRO A 70 6.706 -1.328 12.650 1.00 64.34 H new ATOM 0 HD3 PRO A 70 5.044 -1.834 12.418 1.00 64.34 H new ATOM 1114 N ARG A 71 8.534 -5.455 14.504 1.00 31.23 N ATOM 1115 CA ARG A 71 9.926 -5.782 14.840 1.00 54.23 C ATOM 1116 C ARG A 71 10.382 -7.063 14.117 1.00 44.10 C ATOM 1117 O ARG A 71 11.543 -7.189 13.720 1.00 13.33 O ATOM 1118 CB ARG A 71 10.058 -5.950 16.363 1.00 14.23 C ATOM 1119 CG ARG A 71 11.446 -6.371 16.847 1.00 32.41 C ATOM 1120 CD ARG A 71 12.535 -5.378 16.446 1.00 63.20 C ATOM 1121 NE ARG A 71 13.810 -5.694 17.086 1.00 2.25 N ATOM 1122 CZ ARG A 71 14.982 -5.535 16.533 1.00 53.05 C ATOM 1123 NH1 ARG A 71 15.096 -5.063 15.332 1.00 11.52 N ATOM 1124 NH2 ARG A 71 16.047 -5.850 17.191 1.00 50.45 N ATOM 0 H ARG A 71 7.845 -5.926 15.090 1.00 31.23 H new ATOM 0 HA ARG A 71 10.568 -4.966 14.508 1.00 54.23 H new ATOM 0 HB2 ARG A 71 9.793 -5.008 16.842 1.00 14.23 H new ATOM 0 HB3 ARG A 71 9.333 -6.692 16.696 1.00 14.23 H new ATOM 0 HG2 ARG A 71 11.433 -6.471 17.932 1.00 32.41 H new ATOM 0 HG3 ARG A 71 11.687 -7.353 16.439 1.00 32.41 H new ATOM 0 HD2 ARG A 71 12.658 -5.389 15.363 1.00 63.20 H new ATOM 0 HD3 ARG A 71 12.228 -4.369 16.722 1.00 63.20 H new ATOM 0 HE ARG A 71 13.782 -6.066 18.035 1.00 2.25 H new ATOM 0 HH11 ARG A 71 14.262 -4.809 14.803 1.00 11.52 H new ATOM 0 HH12 ARG A 71 16.020 -4.945 14.916 1.00 11.52 H new ATOM 0 HH21 ARG A 71 15.970 -6.221 18.138 1.00 50.45 H new ATOM 0 HH22 ARG A 71 16.965 -5.728 16.764 1.00 50.45 H new ATOM 1138 N SER A 72 9.462 -8.007 13.955 1.00 51.51 N ATOM 1139 CA SER A 72 9.746 -9.268 13.252 1.00 14.32 C ATOM 1140 C SER A 72 9.254 -9.213 11.800 1.00 75.14 C ATOM 1141 O SER A 72 8.193 -8.652 11.516 1.00 51.24 O ATOM 1142 CB SER A 72 9.071 -10.446 13.971 1.00 15.13 C ATOM 1143 OG SER A 72 9.537 -10.581 15.305 1.00 23.11 O ATOM 0 H SER A 72 8.506 -7.929 14.301 1.00 51.51 H new ATOM 0 HA SER A 72 10.827 -9.411 13.253 1.00 14.32 H new ATOM 0 HB2 SER A 72 7.991 -10.299 13.976 1.00 15.13 H new ATOM 0 HB3 SER A 72 9.265 -11.367 13.422 1.00 15.13 H new ATOM 0 HG SER A 72 9.086 -11.338 15.734 1.00 23.11 H new ATOM 1149 N GLU A 73 10.019 -9.815 10.888 1.00 43.30 N ATOM 1150 CA GLU A 73 9.647 -9.869 9.464 1.00 15.35 C ATOM 1151 C GLU A 73 8.227 -10.427 9.272 1.00 30.02 C ATOM 1152 O GLU A 73 7.440 -9.905 8.476 1.00 63.55 O ATOM 1153 CB GLU A 73 10.662 -10.728 8.693 1.00 4.30 C ATOM 1154 CG GLU A 73 10.350 -10.877 7.208 1.00 22.24 C ATOM 1155 CD GLU A 73 11.451 -11.607 6.455 1.00 23.03 C ATOM 1156 OE1 GLU A 73 11.472 -12.858 6.488 1.00 0.02 O ATOM 1157 OE2 GLU A 73 12.312 -10.934 5.847 1.00 44.03 O ATOM 0 H GLU A 73 10.903 -10.275 11.106 1.00 43.30 H new ATOM 0 HA GLU A 73 9.659 -8.852 9.073 1.00 15.35 H new ATOM 0 HB2 GLU A 73 11.653 -10.287 8.803 1.00 4.30 H new ATOM 0 HB3 GLU A 73 10.702 -11.719 9.146 1.00 4.30 H new ATOM 0 HG2 GLU A 73 9.412 -11.419 7.089 1.00 22.24 H new ATOM 0 HG3 GLU A 73 10.206 -9.890 6.769 1.00 22.24 H new ATOM 1164 N SER A 74 7.907 -11.476 10.027 1.00 52.41 N ATOM 1165 CA SER A 74 6.570 -12.095 10.010 1.00 51.45 C ATOM 1166 C SER A 74 5.453 -11.056 10.198 1.00 34.22 C ATOM 1167 O SER A 74 4.392 -11.147 9.572 1.00 42.43 O ATOM 1168 CB SER A 74 6.478 -13.161 11.115 1.00 64.44 C ATOM 1169 OG SER A 74 5.166 -13.690 11.230 1.00 34.13 O ATOM 0 H SER A 74 8.561 -11.925 10.669 1.00 52.41 H new ATOM 0 HA SER A 74 6.431 -12.557 9.033 1.00 51.45 H new ATOM 0 HB2 SER A 74 7.178 -13.969 10.900 1.00 64.44 H new ATOM 0 HB3 SER A 74 6.778 -12.724 12.067 1.00 64.44 H new ATOM 0 HG SER A 74 5.146 -14.365 11.940 1.00 34.13 H new ATOM 1175 N GLU A 75 5.703 -10.061 11.050 1.00 61.14 N ATOM 1176 CA GLU A 75 4.716 -9.010 11.326 1.00 53.22 C ATOM 1177 C GLU A 75 4.526 -8.094 10.108 1.00 3.52 C ATOM 1178 O GLU A 75 3.398 -7.826 9.695 1.00 71.21 O ATOM 1179 CB GLU A 75 5.140 -8.185 12.548 1.00 22.33 C ATOM 1180 CG GLU A 75 5.370 -9.023 13.802 1.00 44.44 C ATOM 1181 CD GLU A 75 5.726 -8.187 15.023 1.00 73.52 C ATOM 1182 OE1 GLU A 75 6.781 -7.525 15.010 1.00 1.23 O ATOM 1183 OE2 GLU A 75 4.951 -8.191 16.006 1.00 45.20 O ATOM 0 H GLU A 75 6.579 -9.959 11.562 1.00 61.14 H new ATOM 0 HA GLU A 75 3.763 -9.493 11.539 1.00 53.22 H new ATOM 0 HB2 GLU A 75 6.056 -7.644 12.310 1.00 22.33 H new ATOM 0 HB3 GLU A 75 4.373 -7.439 12.756 1.00 22.33 H new ATOM 0 HG2 GLU A 75 4.471 -9.601 14.015 1.00 44.44 H new ATOM 0 HG3 GLU A 75 6.171 -9.737 13.612 1.00 44.44 H new ATOM 1190 N CYS A 76 5.635 -7.624 9.533 1.00 50.31 N ATOM 1191 CA CYS A 76 5.589 -6.776 8.329 1.00 34.25 C ATOM 1192 C CYS A 76 4.821 -7.468 7.192 1.00 40.11 C ATOM 1193 O CYS A 76 3.949 -6.871 6.557 1.00 33.44 O ATOM 1194 CB CYS A 76 7.013 -6.434 7.856 1.00 40.42 C ATOM 1195 SG CYS A 76 8.022 -5.567 9.085 1.00 63.31 S ATOM 0 H CYS A 76 6.576 -7.813 9.877 1.00 50.31 H new ATOM 0 HA CYS A 76 5.066 -5.856 8.592 1.00 34.25 H new ATOM 0 HB2 CYS A 76 7.520 -7.356 7.573 1.00 40.42 H new ATOM 0 HB3 CYS A 76 6.947 -5.819 6.959 1.00 40.42 H new ATOM 0 HG CYS A 76 8.176 -4.328 8.724 1.00 63.31 H new ATOM 1201 N LEU A 77 5.148 -8.736 6.952 1.00 21.11 N ATOM 1202 CA LEU A 77 4.468 -9.543 5.929 1.00 23.24 C ATOM 1203 C LEU A 77 2.969 -9.697 6.242 1.00 20.23 C ATOM 1204 O LEU A 77 2.127 -9.658 5.341 1.00 13.04 O ATOM 1205 CB LEU A 77 5.130 -10.925 5.824 1.00 63.33 C ATOM 1206 CG LEU A 77 6.628 -10.910 5.475 1.00 34.45 C ATOM 1207 CD1 LEU A 77 7.192 -12.328 5.435 1.00 33.22 C ATOM 1208 CD2 LEU A 77 6.870 -10.199 4.147 1.00 5.34 C ATOM 0 H LEU A 77 5.884 -9.234 7.453 1.00 21.11 H new ATOM 0 HA LEU A 77 4.560 -9.025 4.974 1.00 23.24 H new ATOM 0 HB2 LEU A 77 5.000 -11.445 6.773 1.00 63.33 H new ATOM 0 HB3 LEU A 77 4.603 -11.506 5.067 1.00 63.33 H new ATOM 0 HG LEU A 77 7.149 -10.358 6.257 1.00 34.45 H new ATOM 0 HD11 LEU A 77 8.253 -12.291 5.186 1.00 33.22 H new ATOM 0 HD12 LEU A 77 7.064 -12.798 6.410 1.00 33.22 H new ATOM 0 HD13 LEU A 77 6.662 -12.909 4.680 1.00 33.22 H new ATOM 0 HD21 LEU A 77 7.937 -10.201 3.922 1.00 5.34 H new ATOM 0 HD22 LEU A 77 6.331 -10.716 3.354 1.00 5.34 H new ATOM 0 HD23 LEU A 77 6.516 -9.170 4.215 1.00 5.34 H new ATOM 1220 N SER A 78 2.647 -9.869 7.527 1.00 52.22 N ATOM 1221 CA SER A 78 1.250 -9.977 7.976 1.00 40.51 C ATOM 1222 C SER A 78 0.452 -8.715 7.625 1.00 64.00 C ATOM 1223 O SER A 78 -0.689 -8.801 7.166 1.00 73.20 O ATOM 1224 CB SER A 78 1.186 -10.227 9.491 1.00 21.15 C ATOM 1225 OG SER A 78 -0.155 -10.304 9.961 1.00 63.33 O ATOM 0 H SER A 78 3.334 -9.937 8.278 1.00 52.22 H new ATOM 0 HA SER A 78 0.803 -10.823 7.455 1.00 40.51 H new ATOM 0 HB2 SER A 78 1.707 -11.154 9.728 1.00 21.15 H new ATOM 0 HB3 SER A 78 1.708 -9.425 10.013 1.00 21.15 H new ATOM 0 HG SER A 78 -0.196 -10.901 10.737 1.00 63.33 H new ATOM 1231 N ASN A 79 1.060 -7.545 7.839 1.00 53.34 N ATOM 1232 CA ASN A 79 0.422 -6.261 7.510 1.00 52.42 C ATOM 1233 C ASN A 79 0.067 -6.186 6.023 1.00 75.12 C ATOM 1234 O ASN A 79 -1.061 -5.853 5.650 1.00 33.41 O ATOM 1235 CB ASN A 79 1.346 -5.093 7.872 1.00 15.43 C ATOM 1236 CG ASN A 79 1.764 -5.118 9.326 1.00 12.44 C ATOM 1237 OD1 ASN A 79 1.061 -5.646 10.173 1.00 72.42 O ATOM 1238 ND2 ASN A 79 2.906 -4.541 9.631 1.00 12.42 N ATOM 0 H ASN A 79 1.994 -7.457 8.239 1.00 53.34 H new ATOM 0 HA ASN A 79 -0.496 -6.191 8.094 1.00 52.42 H new ATOM 0 HB2 ASN A 79 2.234 -5.127 7.241 1.00 15.43 H new ATOM 0 HB3 ASN A 79 0.839 -4.152 7.659 1.00 15.43 H new ATOM 0 HD21 ASN A 79 3.227 -4.526 10.599 1.00 12.42 H new ATOM 0 HD22 ASN A 79 3.470 -4.109 8.900 1.00 12.42 H new ATOM 1245 N ILE A 80 1.042 -6.507 5.175 1.00 25.41 N ATOM 1246 CA ILE A 80 0.835 -6.502 3.727 1.00 45.12 C ATOM 1247 C ILE A 80 -0.271 -7.492 3.319 1.00 13.54 C ATOM 1248 O ILE A 80 -1.143 -7.166 2.516 1.00 63.52 O ATOM 1249 CB ILE A 80 2.145 -6.849 2.973 1.00 71.31 C ATOM 1250 CG1 ILE A 80 3.274 -5.888 3.385 1.00 1.21 C ATOM 1251 CG2 ILE A 80 1.924 -6.801 1.462 1.00 71.15 C ATOM 1252 CD1 ILE A 80 4.613 -6.195 2.737 1.00 14.34 C ATOM 0 H ILE A 80 1.983 -6.774 5.465 1.00 25.41 H new ATOM 0 HA ILE A 80 0.525 -5.494 3.451 1.00 45.12 H new ATOM 0 HB ILE A 80 2.440 -7.863 3.244 1.00 71.31 H new ATOM 0 HG12 ILE A 80 2.982 -4.870 3.128 1.00 1.21 H new ATOM 0 HG13 ILE A 80 3.390 -5.923 4.468 1.00 1.21 H new ATOM 0 HG21 ILE A 80 2.854 -7.047 0.950 1.00 71.15 H new ATOM 0 HG22 ILE A 80 1.155 -7.522 1.184 1.00 71.15 H new ATOM 0 HG23 ILE A 80 1.605 -5.800 1.173 1.00 71.15 H new ATOM 0 HD11 ILE A 80 5.356 -5.474 3.078 1.00 14.34 H new ATOM 0 HD12 ILE A 80 4.929 -7.201 3.014 1.00 14.34 H new ATOM 0 HD13 ILE A 80 4.516 -6.131 1.653 1.00 14.34 H new ATOM 1264 N ARG A 81 -0.239 -8.700 3.893 1.00 62.23 N ATOM 1265 CA ARG A 81 -1.253 -9.725 3.600 1.00 64.03 C ATOM 1266 C ARG A 81 -2.659 -9.293 4.048 1.00 41.35 C ATOM 1267 O ARG A 81 -3.648 -9.654 3.413 1.00 30.54 O ATOM 1268 CB ARG A 81 -0.875 -11.069 4.240 1.00 61.31 C ATOM 1269 CG ARG A 81 0.299 -11.756 3.548 1.00 55.41 C ATOM 1270 CD ARG A 81 0.529 -13.172 4.066 1.00 11.24 C ATOM 1271 NE ARG A 81 1.513 -13.894 3.257 1.00 5.35 N ATOM 1272 CZ ARG A 81 1.527 -15.191 3.104 1.00 43.51 C ATOM 1273 NH1 ARG A 81 0.635 -15.932 3.678 1.00 64.24 N ATOM 1274 NH2 ARG A 81 2.429 -15.746 2.359 1.00 2.44 N ATOM 0 H ARG A 81 0.474 -8.993 4.561 1.00 62.23 H new ATOM 0 HA ARG A 81 -1.278 -9.847 2.517 1.00 64.03 H new ATOM 0 HB2 ARG A 81 -0.626 -10.907 5.289 1.00 61.31 H new ATOM 0 HB3 ARG A 81 -1.740 -11.731 4.216 1.00 61.31 H new ATOM 0 HG2 ARG A 81 0.115 -11.790 2.474 1.00 55.41 H new ATOM 0 HG3 ARG A 81 1.203 -11.165 3.698 1.00 55.41 H new ATOM 0 HD2 ARG A 81 0.870 -13.130 5.100 1.00 11.24 H new ATOM 0 HD3 ARG A 81 -0.415 -13.718 4.063 1.00 11.24 H new ATOM 0 HE ARG A 81 2.233 -13.349 2.783 1.00 5.35 H new ATOM 0 HH11 ARG A 81 -0.088 -15.504 4.256 1.00 64.24 H new ATOM 0 HH12 ARG A 81 0.655 -16.944 3.552 1.00 64.24 H new ATOM 0 HH21 ARG A 81 3.129 -15.170 1.891 1.00 2.44 H new ATOM 0 HH22 ARG A 81 2.439 -16.759 2.240 1.00 2.44 H new ATOM 1288 N GLU A 82 -2.746 -8.529 5.137 1.00 74.22 N ATOM 1289 CA GLU A 82 -4.024 -7.935 5.561 1.00 24.24 C ATOM 1290 C GLU A 82 -4.599 -7.044 4.443 1.00 70.23 C ATOM 1291 O GLU A 82 -5.759 -7.186 4.042 1.00 35.41 O ATOM 1292 CB GLU A 82 -3.826 -7.127 6.858 1.00 54.44 C ATOM 1293 CG GLU A 82 -5.029 -6.278 7.277 1.00 74.12 C ATOM 1294 CD GLU A 82 -6.272 -7.089 7.624 1.00 33.02 C ATOM 1295 OE1 GLU A 82 -7.024 -7.459 6.702 1.00 55.13 O ATOM 1296 OE2 GLU A 82 -6.514 -7.339 8.825 1.00 42.13 O ATOM 0 H GLU A 82 -1.955 -8.305 5.741 1.00 74.22 H new ATOM 0 HA GLU A 82 -4.738 -8.735 5.758 1.00 24.24 H new ATOM 0 HB2 GLU A 82 -3.588 -7.818 7.667 1.00 54.44 H new ATOM 0 HB3 GLU A 82 -2.963 -6.473 6.733 1.00 54.44 H new ATOM 0 HG2 GLU A 82 -4.750 -5.673 8.140 1.00 74.12 H new ATOM 0 HG3 GLU A 82 -5.272 -5.588 6.469 1.00 74.12 H new ATOM 1303 N PHE A 83 -3.765 -6.144 3.926 1.00 31.54 N ATOM 1304 CA PHE A 83 -4.132 -5.304 2.778 1.00 34.44 C ATOM 1305 C PHE A 83 -4.539 -6.163 1.561 1.00 64.35 C ATOM 1306 O PHE A 83 -5.556 -5.906 0.909 1.00 33.51 O ATOM 1307 CB PHE A 83 -2.948 -4.394 2.419 1.00 14.32 C ATOM 1308 CG PHE A 83 -3.147 -3.565 1.171 1.00 3.04 C ATOM 1309 CD1 PHE A 83 -3.965 -2.443 1.187 1.00 23.11 C ATOM 1310 CD2 PHE A 83 -2.507 -3.903 -0.014 1.00 14.22 C ATOM 1311 CE1 PHE A 83 -4.143 -1.680 0.048 1.00 41.14 C ATOM 1312 CE2 PHE A 83 -2.680 -3.140 -1.155 1.00 42.22 C ATOM 1313 CZ PHE A 83 -3.498 -2.028 -1.124 1.00 50.25 C ATOM 0 H PHE A 83 -2.825 -5.974 4.283 1.00 31.54 H new ATOM 0 HA PHE A 83 -4.993 -4.695 3.052 1.00 34.44 H new ATOM 0 HB2 PHE A 83 -2.754 -3.724 3.257 1.00 14.32 H new ATOM 0 HB3 PHE A 83 -2.058 -5.011 2.292 1.00 14.32 H new ATOM 0 HD1 PHE A 83 -4.468 -2.163 2.101 1.00 23.11 H new ATOM 0 HD2 PHE A 83 -1.866 -4.772 -0.045 1.00 14.22 H new ATOM 0 HE1 PHE A 83 -4.786 -0.812 0.074 1.00 41.14 H new ATOM 0 HE2 PHE A 83 -2.175 -3.414 -2.070 1.00 42.22 H new ATOM 0 HZ PHE A 83 -3.634 -1.431 -2.014 1.00 50.25 H new ATOM 1323 N LEU A 84 -3.735 -7.184 1.273 1.00 2.30 N ATOM 1324 CA LEU A 84 -4.008 -8.113 0.167 1.00 23.42 C ATOM 1325 C LEU A 84 -5.326 -8.877 0.379 1.00 70.23 C ATOM 1326 O LEU A 84 -6.047 -9.172 -0.578 1.00 13.24 O ATOM 1327 CB LEU A 84 -2.843 -9.102 0.019 1.00 53.32 C ATOM 1328 CG LEU A 84 -1.483 -8.464 -0.315 1.00 72.25 C ATOM 1329 CD1 LEU A 84 -0.369 -9.505 -0.275 1.00 71.43 C ATOM 1330 CD2 LEU A 84 -1.533 -7.772 -1.675 1.00 62.51 C ATOM 0 H LEU A 84 -2.882 -7.394 1.791 1.00 2.30 H new ATOM 0 HA LEU A 84 -4.109 -7.527 -0.747 1.00 23.42 H new ATOM 0 HB2 LEU A 84 -2.745 -9.665 0.947 1.00 53.32 H new ATOM 0 HB3 LEU A 84 -3.092 -9.819 -0.763 1.00 53.32 H new ATOM 0 HG LEU A 84 -1.265 -7.711 0.442 1.00 72.25 H new ATOM 0 HD11 LEU A 84 0.582 -9.029 -0.514 1.00 71.43 H new ATOM 0 HD12 LEU A 84 -0.315 -9.942 0.722 1.00 71.43 H new ATOM 0 HD13 LEU A 84 -0.577 -10.288 -1.004 1.00 71.43 H new ATOM 0 HD21 LEU A 84 -0.562 -7.327 -1.893 1.00 62.51 H new ATOM 0 HD22 LEU A 84 -1.779 -8.502 -2.446 1.00 62.51 H new ATOM 0 HD23 LEU A 84 -2.294 -6.992 -1.658 1.00 62.51 H new ATOM 1342 N ARG A 85 -5.633 -9.192 1.638 1.00 30.44 N ATOM 1343 CA ARG A 85 -6.882 -9.877 1.991 1.00 44.31 C ATOM 1344 C ARG A 85 -8.092 -9.010 1.623 1.00 3.30 C ATOM 1345 O ARG A 85 -8.993 -9.449 0.909 1.00 54.10 O ATOM 1346 CB ARG A 85 -6.914 -10.196 3.497 1.00 4.22 C ATOM 1347 CG ARG A 85 -8.141 -10.999 3.931 1.00 21.35 C ATOM 1348 CD ARG A 85 -8.223 -11.161 5.448 1.00 44.13 C ATOM 1349 NE ARG A 85 -8.384 -9.878 6.128 1.00 20.11 N ATOM 1350 CZ ARG A 85 -9.424 -9.543 6.844 1.00 74.12 C ATOM 1351 NH1 ARG A 85 -10.427 -10.355 6.986 1.00 2.43 N ATOM 1352 NH2 ARG A 85 -9.457 -8.382 7.407 1.00 13.22 N ATOM 0 H ARG A 85 -5.032 -8.983 2.435 1.00 30.44 H new ATOM 0 HA ARG A 85 -6.929 -10.810 1.429 1.00 44.31 H new ATOM 0 HB2 ARG A 85 -6.015 -10.753 3.760 1.00 4.22 H new ATOM 0 HB3 ARG A 85 -6.886 -9.262 4.058 1.00 4.22 H new ATOM 0 HG2 ARG A 85 -9.043 -10.503 3.572 1.00 21.35 H new ATOM 0 HG3 ARG A 85 -8.112 -11.983 3.464 1.00 21.35 H new ATOM 0 HD2 ARG A 85 -9.061 -11.811 5.698 1.00 44.13 H new ATOM 0 HD3 ARG A 85 -7.319 -11.652 5.809 1.00 44.13 H new ATOM 0 HE ARG A 85 -7.631 -9.196 6.037 1.00 20.11 H new ATOM 0 HH11 ARG A 85 -10.410 -11.270 6.535 1.00 2.43 H new ATOM 0 HH12 ARG A 85 -11.232 -10.078 7.548 1.00 2.43 H new ATOM 0 HH21 ARG A 85 -8.676 -7.736 7.291 1.00 13.22 H new ATOM 0 HH22 ARG A 85 -10.264 -8.110 7.968 1.00 13.22 H new ATOM 1366 N GLY A 86 -8.093 -7.769 2.108 1.00 2.22 N ATOM 1367 CA GLY A 86 -9.189 -6.848 1.826 1.00 53.05 C ATOM 1368 C GLY A 86 -9.374 -6.568 0.337 1.00 65.35 C ATOM 1369 O GLY A 86 -10.472 -6.752 -0.206 1.00 43.14 O ATOM 0 H GLY A 86 -7.353 -7.382 2.693 1.00 2.22 H new ATOM 0 HA2 GLY A 86 -10.114 -7.261 2.229 1.00 53.05 H new ATOM 0 HA3 GLY A 86 -9.007 -5.907 2.346 1.00 53.05 H new ATOM 1373 N CYS A 87 -8.304 -6.131 -0.328 1.00 23.31 N ATOM 1374 CA CYS A 87 -8.345 -5.866 -1.773 1.00 51.45 C ATOM 1375 C CYS A 87 -8.776 -7.109 -2.567 1.00 14.13 C ATOM 1376 O CYS A 87 -9.474 -7.004 -3.572 1.00 32.43 O ATOM 1377 CB CYS A 87 -6.978 -5.384 -2.266 1.00 4.23 C ATOM 1378 SG CYS A 87 -6.439 -3.827 -1.522 1.00 23.13 S ATOM 0 H CYS A 87 -7.399 -5.952 0.107 1.00 23.31 H new ATOM 0 HA CYS A 87 -9.087 -5.085 -1.940 1.00 51.45 H new ATOM 0 HB2 CYS A 87 -6.235 -6.153 -2.055 1.00 4.23 H new ATOM 0 HB3 CYS A 87 -7.014 -5.265 -3.349 1.00 4.23 H new ATOM 0 HG CYS A 87 -5.149 -3.713 -1.640 1.00 23.13 H new ATOM 1384 N GLY A 88 -8.355 -8.285 -2.107 1.00 73.41 N ATOM 1385 CA GLY A 88 -8.719 -9.537 -2.770 1.00 12.21 C ATOM 1386 C GLY A 88 -10.090 -10.082 -2.360 1.00 43.10 C ATOM 1387 O GLY A 88 -10.633 -10.971 -3.017 1.00 23.52 O ATOM 0 H GLY A 88 -7.765 -8.398 -1.283 1.00 73.41 H new ATOM 0 HA2 GLY A 88 -8.709 -9.381 -3.849 1.00 12.21 H new ATOM 0 HA3 GLY A 88 -7.960 -10.287 -2.549 1.00 12.21 H new ATOM 1391 N ALA A 89 -10.652 -9.558 -1.272 1.00 14.14 N ATOM 1392 CA ALA A 89 -11.962 -10.015 -0.783 1.00 71.10 C ATOM 1393 C ALA A 89 -13.124 -9.213 -1.393 1.00 0.33 C ATOM 1394 O ALA A 89 -13.984 -9.769 -2.077 1.00 2.43 O ATOM 1395 CB ALA A 89 -12.014 -9.941 0.739 1.00 2.52 C ATOM 0 H ALA A 89 -10.227 -8.820 -0.711 1.00 14.14 H new ATOM 0 HA ALA A 89 -12.081 -11.051 -1.100 1.00 71.10 H new ATOM 0 HB1 ALA A 89 -12.989 -10.282 1.087 1.00 2.52 H new ATOM 0 HB2 ALA A 89 -11.235 -10.577 1.161 1.00 2.52 H new ATOM 0 HB3 ALA A 89 -11.855 -8.911 1.059 1.00 2.52 H new ATOM 1401 N SER A 90 -13.140 -7.902 -1.145 1.00 4.32 N ATOM 1402 CA SER A 90 -14.243 -7.035 -1.608 1.00 74.21 C ATOM 1403 C SER A 90 -14.031 -6.543 -3.049 1.00 11.13 C ATOM 1404 O SER A 90 -14.983 -6.399 -3.818 1.00 14.41 O ATOM 1405 CB SER A 90 -14.404 -5.824 -0.674 1.00 44.43 C ATOM 1406 OG SER A 90 -15.435 -4.956 -1.120 1.00 54.15 O ATOM 0 H SER A 90 -12.409 -7.412 -0.629 1.00 4.32 H new ATOM 0 HA SER A 90 -15.149 -7.640 -1.589 1.00 74.21 H new ATOM 0 HB2 SER A 90 -14.629 -6.169 0.335 1.00 44.43 H new ATOM 0 HB3 SER A 90 -13.463 -5.276 -0.621 1.00 44.43 H new ATOM 0 HG SER A 90 -15.513 -4.197 -0.504 1.00 54.15 H new ATOM 1412 N LEU A 91 -12.779 -6.280 -3.408 1.00 23.33 N ATOM 1413 CA LEU A 91 -12.451 -5.743 -4.736 1.00 12.35 C ATOM 1414 C LEU A 91 -12.023 -6.846 -5.719 1.00 61.13 C ATOM 1415 O LEU A 91 -12.340 -6.784 -6.905 1.00 30.32 O ATOM 1416 CB LEU A 91 -11.342 -4.695 -4.594 1.00 2.33 C ATOM 1417 CG LEU A 91 -11.716 -3.475 -3.734 1.00 2.12 C ATOM 1418 CD1 LEU A 91 -10.495 -2.598 -3.465 1.00 43.23 C ATOM 1419 CD2 LEU A 91 -12.823 -2.665 -4.405 1.00 35.33 C ATOM 0 H LEU A 91 -11.971 -6.428 -2.803 1.00 23.33 H new ATOM 0 HA LEU A 91 -13.349 -5.283 -5.148 1.00 12.35 H new ATOM 0 HB2 LEU A 91 -10.463 -5.172 -4.160 1.00 2.33 H new ATOM 0 HB3 LEU A 91 -11.059 -4.349 -5.588 1.00 2.33 H new ATOM 0 HG LEU A 91 -12.086 -3.839 -2.775 1.00 2.12 H new ATOM 0 HD11 LEU A 91 -10.788 -1.743 -2.855 1.00 43.23 H new ATOM 0 HD12 LEU A 91 -9.739 -3.179 -2.936 1.00 43.23 H new ATOM 0 HD13 LEU A 91 -10.085 -2.245 -4.411 1.00 43.23 H new ATOM 0 HD21 LEU A 91 -13.074 -1.806 -3.782 1.00 35.33 H new ATOM 0 HD22 LEU A 91 -12.480 -2.318 -5.380 1.00 35.33 H new ATOM 0 HD23 LEU A 91 -13.706 -3.291 -4.532 1.00 35.33 H new ATOM 1431 N ARG A 92 -11.296 -7.846 -5.210 1.00 74.21 N ATOM 1432 CA ARG A 92 -10.823 -8.985 -6.017 1.00 14.02 C ATOM 1433 C ARG A 92 -9.957 -8.534 -7.211 1.00 63.14 C ATOM 1434 O ARG A 92 -9.945 -9.167 -8.273 1.00 3.20 O ATOM 1435 CB ARG A 92 -12.015 -9.841 -6.477 1.00 24.33 C ATOM 1436 CG ARG A 92 -12.746 -10.514 -5.315 1.00 34.43 C ATOM 1437 CD ARG A 92 -13.912 -11.379 -5.772 1.00 71.30 C ATOM 1438 NE ARG A 92 -14.530 -12.076 -4.643 1.00 40.41 N ATOM 1439 CZ ARG A 92 -15.689 -12.674 -4.686 1.00 24.33 C ATOM 1440 NH1 ARG A 92 -16.394 -12.677 -5.773 1.00 30.24 N ATOM 1441 NH2 ARG A 92 -16.141 -13.266 -3.632 1.00 13.11 N ATOM 0 H ARG A 92 -11.017 -7.893 -4.230 1.00 74.21 H new ATOM 0 HA ARG A 92 -10.180 -9.597 -5.385 1.00 14.02 H new ATOM 0 HB2 ARG A 92 -12.716 -9.213 -7.026 1.00 24.33 H new ATOM 0 HB3 ARG A 92 -11.662 -10.605 -7.169 1.00 24.33 H new ATOM 0 HG2 ARG A 92 -12.041 -11.129 -4.756 1.00 34.43 H new ATOM 0 HG3 ARG A 92 -13.114 -9.749 -4.631 1.00 34.43 H new ATOM 0 HD2 ARG A 92 -14.656 -10.757 -6.270 1.00 71.30 H new ATOM 0 HD3 ARG A 92 -13.563 -12.107 -6.505 1.00 71.30 H new ATOM 0 HE ARG A 92 -14.019 -12.096 -3.761 1.00 40.41 H new ATOM 0 HH11 ARG A 92 -16.045 -12.208 -6.609 1.00 30.24 H new ATOM 0 HH12 ARG A 92 -17.298 -13.148 -5.793 1.00 30.24 H new ATOM 0 HH21 ARG A 92 -15.593 -13.265 -2.772 1.00 13.11 H new ATOM 0 HH22 ARG A 92 -17.046 -13.735 -3.659 1.00 13.11 H new ATOM 1455 N LEU A 93 -9.206 -7.454 -7.006 1.00 2.14 N ATOM 1456 CA LEU A 93 -8.257 -6.952 -8.007 1.00 70.33 C ATOM 1457 C LEU A 93 -6.912 -7.701 -7.906 1.00 4.14 C ATOM 1458 O LEU A 93 -6.715 -8.500 -6.989 1.00 74.21 O ATOM 1459 CB LEU A 93 -8.081 -5.432 -7.824 1.00 72.31 C ATOM 1460 CG LEU A 93 -7.620 -4.962 -6.425 1.00 2.43 C ATOM 1461 CD1 LEU A 93 -6.100 -4.941 -6.314 1.00 75.31 C ATOM 1462 CD2 LEU A 93 -8.197 -3.589 -6.090 1.00 33.41 C ATOM 0 H LEU A 93 -9.235 -6.903 -6.148 1.00 2.14 H new ATOM 0 HA LEU A 93 -8.649 -7.135 -9.007 1.00 70.33 H new ATOM 0 HB2 LEU A 93 -7.358 -5.080 -8.559 1.00 72.31 H new ATOM 0 HB3 LEU A 93 -9.030 -4.947 -8.053 1.00 72.31 H new ATOM 0 HG LEU A 93 -8.000 -5.682 -5.701 1.00 2.43 H new ATOM 0 HD11 LEU A 93 -5.813 -4.606 -5.317 1.00 75.31 H new ATOM 0 HD12 LEU A 93 -5.709 -5.944 -6.486 1.00 75.31 H new ATOM 0 HD13 LEU A 93 -5.690 -4.259 -7.059 1.00 75.31 H new ATOM 0 HD21 LEU A 93 -7.857 -3.283 -5.101 1.00 33.41 H new ATOM 0 HD22 LEU A 93 -7.861 -2.863 -6.830 1.00 33.41 H new ATOM 0 HD23 LEU A 93 -9.286 -3.640 -6.100 1.00 33.41 H new ATOM 1474 N GLU A 94 -5.989 -7.446 -8.838 1.00 12.03 N ATOM 1475 CA GLU A 94 -4.711 -8.174 -8.855 1.00 54.10 C ATOM 1476 C GLU A 94 -3.885 -7.904 -7.586 1.00 34.33 C ATOM 1477 O GLU A 94 -3.512 -6.767 -7.290 1.00 74.25 O ATOM 1478 CB GLU A 94 -3.874 -7.847 -10.110 1.00 24.32 C ATOM 1479 CG GLU A 94 -3.534 -6.366 -10.295 1.00 21.22 C ATOM 1480 CD GLU A 94 -4.518 -5.643 -11.197 1.00 73.21 C ATOM 1481 OE1 GLU A 94 -5.601 -5.253 -10.720 1.00 41.03 O ATOM 1482 OE2 GLU A 94 -4.212 -5.470 -12.396 1.00 11.13 O ATOM 0 H GLU A 94 -6.096 -6.754 -9.580 1.00 12.03 H new ATOM 0 HA GLU A 94 -4.964 -9.234 -8.883 1.00 54.10 H new ATOM 0 HB2 GLU A 94 -2.944 -8.415 -10.066 1.00 24.32 H new ATOM 0 HB3 GLU A 94 -4.417 -8.192 -10.990 1.00 24.32 H new ATOM 0 HG2 GLU A 94 -3.516 -5.878 -9.321 1.00 21.22 H new ATOM 0 HG3 GLU A 94 -2.532 -6.278 -10.714 1.00 21.22 H new ATOM 1489 N THR A 95 -3.615 -8.964 -6.829 1.00 1.01 N ATOM 1490 CA THR A 95 -2.836 -8.856 -5.595 1.00 51.10 C ATOM 1491 C THR A 95 -1.399 -9.365 -5.783 1.00 53.43 C ATOM 1492 O THR A 95 -1.153 -10.333 -6.506 1.00 20.03 O ATOM 1493 CB THR A 95 -3.497 -9.637 -4.433 1.00 14.21 C ATOM 1494 OG1 THR A 95 -3.703 -11.009 -4.807 1.00 41.43 O ATOM 1495 CG2 THR A 95 -4.831 -9.006 -4.039 1.00 41.14 C ATOM 0 H THR A 95 -3.924 -9.911 -7.048 1.00 1.01 H new ATOM 0 HA THR A 95 -2.808 -7.796 -5.344 1.00 51.10 H new ATOM 0 HB THR A 95 -2.825 -9.595 -3.576 1.00 14.21 H new ATOM 0 HG1 THR A 95 -4.120 -11.492 -4.063 1.00 41.43 H new ATOM 0 HG21 THR A 95 -5.274 -9.574 -3.221 1.00 41.14 H new ATOM 0 HG22 THR A 95 -4.666 -7.977 -3.719 1.00 41.14 H new ATOM 0 HG23 THR A 95 -5.505 -9.016 -4.895 1.00 41.14 H new ATOM 1503 N PHE A 96 -0.458 -8.691 -5.136 1.00 31.53 N ATOM 1504 CA PHE A 96 0.954 -9.089 -5.149 1.00 24.10 C ATOM 1505 C PHE A 96 1.288 -9.956 -3.923 1.00 53.12 C ATOM 1506 O PHE A 96 0.410 -10.275 -3.121 1.00 40.14 O ATOM 1507 CB PHE A 96 1.851 -7.842 -5.191 1.00 43.44 C ATOM 1508 CG PHE A 96 1.580 -6.855 -4.083 1.00 72.54 C ATOM 1509 CD1 PHE A 96 0.566 -5.913 -4.210 1.00 11.45 C ATOM 1510 CD2 PHE A 96 2.336 -6.864 -2.920 1.00 10.35 C ATOM 1511 CE1 PHE A 96 0.316 -5.004 -3.201 1.00 33.30 C ATOM 1512 CE2 PHE A 96 2.089 -5.958 -1.911 1.00 25.35 C ATOM 1513 CZ PHE A 96 1.077 -5.027 -2.049 1.00 11.12 C ATOM 0 H PHE A 96 -0.646 -7.853 -4.586 1.00 31.53 H new ATOM 0 HA PHE A 96 1.139 -9.685 -6.043 1.00 24.10 H new ATOM 0 HB2 PHE A 96 2.894 -8.155 -5.138 1.00 43.44 H new ATOM 0 HB3 PHE A 96 1.716 -7.342 -6.150 1.00 43.44 H new ATOM 0 HD1 PHE A 96 -0.033 -5.892 -5.108 1.00 11.45 H new ATOM 0 HD2 PHE A 96 3.128 -7.590 -2.804 1.00 10.35 H new ATOM 0 HE1 PHE A 96 -0.474 -4.276 -3.313 1.00 33.30 H new ATOM 0 HE2 PHE A 96 2.687 -5.976 -1.012 1.00 25.35 H new ATOM 0 HZ PHE A 96 0.882 -4.319 -1.257 1.00 11.12 H new ATOM 1523 N ASP A 97 2.546 -10.367 -3.798 1.00 11.32 N ATOM 1524 CA ASP A 97 2.980 -11.169 -2.650 1.00 0.34 C ATOM 1525 C ASP A 97 3.706 -10.288 -1.618 1.00 14.33 C ATOM 1526 O ASP A 97 4.498 -9.417 -1.972 1.00 55.24 O ATOM 1527 CB ASP A 97 3.880 -12.313 -3.126 1.00 33.55 C ATOM 1528 CG ASP A 97 4.328 -13.216 -1.995 1.00 53.25 C ATOM 1529 OD1 ASP A 97 3.606 -14.184 -1.683 1.00 11.55 O ATOM 1530 OD2 ASP A 97 5.400 -12.964 -1.414 1.00 35.33 O ATOM 0 H ASP A 97 3.283 -10.161 -4.472 1.00 11.32 H new ATOM 0 HA ASP A 97 2.103 -11.597 -2.164 1.00 0.34 H new ATOM 0 HB2 ASP A 97 3.345 -12.906 -3.868 1.00 33.55 H new ATOM 0 HB3 ASP A 97 4.757 -11.897 -3.622 1.00 33.55 H new ATOM 1535 N ALA A 98 3.435 -10.528 -0.338 1.00 4.21 N ATOM 1536 CA ALA A 98 3.998 -9.711 0.748 1.00 64.15 C ATOM 1537 C ALA A 98 5.534 -9.613 0.685 1.00 74.12 C ATOM 1538 O ALA A 98 6.117 -8.591 1.056 1.00 1.34 O ATOM 1539 CB ALA A 98 3.569 -10.276 2.099 1.00 72.41 C ATOM 0 H ALA A 98 2.827 -11.283 -0.020 1.00 4.21 H new ATOM 0 HA ALA A 98 3.608 -8.701 0.624 1.00 64.15 H new ATOM 0 HB1 ALA A 98 3.990 -9.666 2.899 1.00 72.41 H new ATOM 0 HB2 ALA A 98 2.481 -10.266 2.169 1.00 72.41 H new ATOM 0 HB3 ALA A 98 3.929 -11.300 2.196 1.00 72.41 H new ATOM 1545 N ASN A 99 6.185 -10.667 0.203 1.00 20.12 N ATOM 1546 CA ASN A 99 7.648 -10.742 0.227 1.00 10.55 C ATOM 1547 C ASN A 99 8.306 -9.889 -0.874 1.00 44.14 C ATOM 1548 O ASN A 99 9.383 -9.327 -0.656 1.00 62.32 O ATOM 1549 CB ASN A 99 8.110 -12.199 0.125 1.00 25.32 C ATOM 1550 CG ASN A 99 7.624 -13.037 1.298 1.00 35.24 C ATOM 1551 OD1 ASN A 99 8.291 -13.149 2.319 1.00 25.41 O ATOM 1552 ND2 ASN A 99 6.463 -13.646 1.157 1.00 62.44 N ATOM 0 H ASN A 99 5.727 -11.480 -0.208 1.00 20.12 H new ATOM 0 HA ASN A 99 7.971 -10.328 1.182 1.00 10.55 H new ATOM 0 HB2 ASN A 99 7.742 -12.631 -0.806 1.00 25.32 H new ATOM 0 HB3 ASN A 99 9.199 -12.232 0.083 1.00 25.32 H new ATOM 0 HD21 ASN A 99 6.098 -14.229 1.910 1.00 62.44 H new ATOM 0 HD22 ASN A 99 5.930 -13.534 0.295 1.00 62.44 H new ATOM 1559 N ASP A 100 7.670 -9.766 -2.048 1.00 65.24 N ATOM 1560 CA ASP A 100 8.269 -8.981 -3.139 1.00 2.21 C ATOM 1561 C ASP A 100 8.232 -7.472 -2.842 1.00 12.43 C ATOM 1562 O ASP A 100 9.178 -6.751 -3.161 1.00 42.05 O ATOM 1563 CB ASP A 100 7.634 -9.296 -4.509 1.00 11.23 C ATOM 1564 CG ASP A 100 6.122 -9.165 -4.542 1.00 31.11 C ATOM 1565 OD1 ASP A 100 5.612 -8.038 -4.427 1.00 51.40 O ATOM 1566 OD2 ASP A 100 5.443 -10.199 -4.716 1.00 0.05 O ATOM 0 H ASP A 100 6.766 -10.187 -2.265 1.00 65.24 H new ATOM 0 HA ASP A 100 9.315 -9.283 -3.196 1.00 2.21 H new ATOM 0 HB2 ASP A 100 8.061 -8.628 -5.257 1.00 11.23 H new ATOM 0 HB3 ASP A 100 7.905 -10.312 -4.797 1.00 11.23 H new ATOM 1571 N LEU A 101 7.156 -6.996 -2.219 1.00 64.20 N ATOM 1572 CA LEU A 101 7.088 -5.593 -1.782 1.00 2.55 C ATOM 1573 C LEU A 101 8.060 -5.324 -0.622 1.00 44.15 C ATOM 1574 O LEU A 101 8.851 -4.382 -0.665 1.00 44.05 O ATOM 1575 CB LEU A 101 5.662 -5.215 -1.353 1.00 64.24 C ATOM 1576 CG LEU A 101 5.516 -3.804 -0.741 1.00 3.24 C ATOM 1577 CD1 LEU A 101 5.945 -2.724 -1.732 1.00 3.30 C ATOM 1578 CD2 LEU A 101 4.084 -3.562 -0.270 1.00 31.10 C ATOM 0 H LEU A 101 6.326 -7.549 -2.005 1.00 64.20 H new ATOM 0 HA LEU A 101 7.377 -4.977 -2.634 1.00 2.55 H new ATOM 0 HB2 LEU A 101 5.007 -5.288 -2.221 1.00 64.24 H new ATOM 0 HB3 LEU A 101 5.311 -5.948 -0.626 1.00 64.24 H new ATOM 0 HG LEU A 101 6.177 -3.748 0.124 1.00 3.24 H new ATOM 0 HD11 LEU A 101 5.831 -1.742 -1.272 1.00 3.30 H new ATOM 0 HD12 LEU A 101 6.989 -2.877 -2.007 1.00 3.30 H new ATOM 0 HD13 LEU A 101 5.322 -2.781 -2.625 1.00 3.30 H new ATOM 0 HD21 LEU A 101 4.006 -2.562 0.157 1.00 31.10 H new ATOM 0 HD22 LEU A 101 3.403 -3.649 -1.116 1.00 31.10 H new ATOM 0 HD23 LEU A 101 3.820 -4.301 0.486 1.00 31.10 H new ATOM 1590 N TYR A 102 7.994 -6.165 0.407 1.00 63.15 N ATOM 1591 CA TYR A 102 8.819 -5.999 1.610 1.00 63.44 C ATOM 1592 C TYR A 102 10.325 -5.996 1.286 1.00 22.33 C ATOM 1593 O TYR A 102 11.084 -5.197 1.833 1.00 62.04 O ATOM 1594 CB TYR A 102 8.496 -7.106 2.618 1.00 23.13 C ATOM 1595 CG TYR A 102 9.306 -7.027 3.900 1.00 52.02 C ATOM 1596 CD1 TYR A 102 9.174 -5.944 4.763 1.00 31.12 C ATOM 1597 CD2 TYR A 102 10.195 -8.036 4.248 1.00 10.55 C ATOM 1598 CE1 TYR A 102 9.908 -5.871 5.932 1.00 44.05 C ATOM 1599 CE2 TYR A 102 10.931 -7.968 5.413 1.00 24.25 C ATOM 1600 CZ TYR A 102 10.784 -6.885 6.252 1.00 55.32 C ATOM 1601 OH TYR A 102 11.514 -6.819 7.417 1.00 2.53 O ATOM 0 H TYR A 102 7.375 -6.975 0.435 1.00 63.15 H new ATOM 0 HA TYR A 102 8.580 -5.028 2.043 1.00 63.44 H new ATOM 0 HB2 TYR A 102 7.436 -7.059 2.866 1.00 23.13 H new ATOM 0 HB3 TYR A 102 8.671 -8.074 2.148 1.00 23.13 H new ATOM 0 HD1 TYR A 102 8.487 -5.148 4.516 1.00 31.12 H new ATOM 0 HD2 TYR A 102 10.312 -8.888 3.595 1.00 10.55 H new ATOM 0 HE1 TYR A 102 9.795 -5.023 6.591 1.00 44.05 H new ATOM 0 HE2 TYR A 102 11.620 -8.761 5.666 1.00 24.25 H new ATOM 0 HH TYR A 102 12.082 -7.614 7.492 1.00 2.53 H new ATOM 1611 N GLN A 103 10.754 -6.890 0.400 1.00 33.31 N ATOM 1612 CA GLN A 103 12.168 -6.963 0.011 1.00 23.32 C ATOM 1613 C GLN A 103 12.489 -6.032 -1.175 1.00 2.32 C ATOM 1614 O GLN A 103 13.656 -5.791 -1.484 1.00 51.34 O ATOM 1615 CB GLN A 103 12.554 -8.410 -0.331 1.00 12.32 C ATOM 1616 CG GLN A 103 12.434 -9.379 0.845 1.00 73.14 C ATOM 1617 CD GLN A 103 13.316 -8.998 2.028 1.00 24.52 C ATOM 1618 OE1 GLN A 103 14.367 -8.384 1.871 1.00 1.03 O ATOM 1619 NE2 GLN A 103 12.901 -9.363 3.223 1.00 4.54 N ATOM 0 H GLN A 103 10.152 -7.571 -0.062 1.00 33.31 H new ATOM 0 HA GLN A 103 12.758 -6.625 0.863 1.00 23.32 H new ATOM 0 HB2 GLN A 103 11.920 -8.762 -1.145 1.00 12.32 H new ATOM 0 HB3 GLN A 103 13.580 -8.425 -0.698 1.00 12.32 H new ATOM 0 HG2 GLN A 103 11.395 -9.417 1.172 1.00 73.14 H new ATOM 0 HG3 GLN A 103 12.699 -10.382 0.510 1.00 73.14 H new ATOM 0 HE21 GLN A 103 12.023 -9.873 3.324 1.00 4.54 H new ATOM 0 HE22 GLN A 103 13.457 -9.136 4.047 1.00 4.54 H new ATOM 1628 N GLY A 104 11.451 -5.508 -1.826 1.00 52.44 N ATOM 1629 CA GLY A 104 11.644 -4.607 -2.961 1.00 61.14 C ATOM 1630 C GLY A 104 12.005 -5.333 -4.256 1.00 23.41 C ATOM 1631 O GLY A 104 12.690 -4.776 -5.116 1.00 15.11 O ATOM 0 H GLY A 104 10.476 -5.690 -1.589 1.00 52.44 H new ATOM 0 HA2 GLY A 104 10.732 -4.031 -3.118 1.00 61.14 H new ATOM 0 HA3 GLY A 104 12.433 -3.895 -2.720 1.00 61.14 H new ATOM 1635 N GLN A 105 11.534 -6.572 -4.402 1.00 74.21 N ATOM 1636 CA GLN A 105 11.826 -7.384 -5.590 1.00 13.45 C ATOM 1637 C GLN A 105 10.964 -6.973 -6.795 1.00 20.12 C ATOM 1638 O GLN A 105 11.483 -6.548 -7.827 1.00 72.14 O ATOM 1639 CB GLN A 105 11.612 -8.876 -5.284 1.00 41.02 C ATOM 1640 CG GLN A 105 12.474 -9.405 -4.144 1.00 1.54 C ATOM 1641 CD GLN A 105 13.959 -9.193 -4.383 1.00 14.11 C ATOM 1642 OE1 GLN A 105 14.524 -8.177 -3.993 1.00 4.43 O ATOM 1643 NE2 GLN A 105 14.603 -10.138 -5.038 1.00 51.20 N ATOM 0 H GLN A 105 10.946 -7.039 -3.711 1.00 74.21 H new ATOM 0 HA GLN A 105 12.870 -7.210 -5.851 1.00 13.45 H new ATOM 0 HB2 GLN A 105 10.563 -9.039 -5.038 1.00 41.02 H new ATOM 0 HB3 GLN A 105 11.822 -9.455 -6.183 1.00 41.02 H new ATOM 0 HG2 GLN A 105 12.185 -8.910 -3.216 1.00 1.54 H new ATOM 0 HG3 GLN A 105 12.280 -10.469 -4.011 1.00 1.54 H new ATOM 0 HE21 GLN A 105 14.106 -10.972 -5.350 1.00 51.20 H new ATOM 0 HE22 GLN A 105 15.599 -10.035 -5.233 1.00 51.20 H new ATOM 1652 N ASN A 106 9.645 -7.110 -6.664 1.00 51.33 N ATOM 1653 CA ASN A 106 8.719 -6.780 -7.756 1.00 73.32 C ATOM 1654 C ASN A 106 7.768 -5.643 -7.366 1.00 42.31 C ATOM 1655 O ASN A 106 6.690 -5.874 -6.820 1.00 72.24 O ATOM 1656 CB ASN A 106 7.915 -8.016 -8.180 1.00 34.24 C ATOM 1657 CG ASN A 106 8.759 -9.059 -8.887 1.00 74.34 C ATOM 1658 OD1 ASN A 106 9.937 -9.237 -8.594 1.00 71.43 O ATOM 1659 ND2 ASN A 106 8.166 -9.750 -9.836 1.00 34.41 N ATOM 0 H ASN A 106 9.190 -7.447 -5.815 1.00 51.33 H new ATOM 0 HA ASN A 106 9.321 -6.443 -8.600 1.00 73.32 H new ATOM 0 HB2 ASN A 106 7.457 -8.464 -7.298 1.00 34.24 H new ATOM 0 HB3 ASN A 106 7.103 -7.706 -8.838 1.00 34.24 H new ATOM 0 HD21 ASN A 106 8.687 -10.458 -10.353 1.00 34.41 H new ATOM 0 HD22 ASN A 106 7.185 -9.578 -10.055 1.00 34.41 H new ATOM 1666 N PHE A 107 8.176 -4.413 -7.652 1.00 2.04 N ATOM 1667 CA PHE A 107 7.361 -3.239 -7.341 1.00 42.12 C ATOM 1668 C PHE A 107 6.281 -3.015 -8.410 1.00 4.53 C ATOM 1669 O PHE A 107 5.262 -2.373 -8.153 1.00 31.51 O ATOM 1670 CB PHE A 107 8.252 -1.995 -7.206 1.00 20.44 C ATOM 1671 CG PHE A 107 7.489 -0.735 -6.864 1.00 11.15 C ATOM 1672 CD1 PHE A 107 6.894 -0.583 -5.618 1.00 70.24 C ATOM 1673 CD2 PHE A 107 7.363 0.294 -7.789 1.00 52.35 C ATOM 1674 CE1 PHE A 107 6.191 0.565 -5.305 1.00 42.22 C ATOM 1675 CE2 PHE A 107 6.662 1.443 -7.478 1.00 3.20 C ATOM 1676 CZ PHE A 107 6.075 1.579 -6.235 1.00 34.44 C ATOM 0 H PHE A 107 9.067 -4.199 -8.099 1.00 2.04 H new ATOM 0 HA PHE A 107 6.858 -3.416 -6.390 1.00 42.12 H new ATOM 0 HB2 PHE A 107 9.000 -2.177 -6.434 1.00 20.44 H new ATOM 0 HB3 PHE A 107 8.790 -1.841 -8.141 1.00 20.44 H new ATOM 0 HD1 PHE A 107 6.982 -1.371 -4.885 1.00 70.24 H new ATOM 0 HD2 PHE A 107 7.819 0.194 -8.763 1.00 52.35 H new ATOM 0 HE1 PHE A 107 5.732 0.669 -4.333 1.00 42.22 H new ATOM 0 HE2 PHE A 107 6.573 2.235 -8.207 1.00 3.20 H new ATOM 0 HZ PHE A 107 5.526 2.477 -5.991 1.00 34.44 H new ATOM 1686 N ASN A 108 6.505 -3.556 -9.607 1.00 72.12 N ATOM 1687 CA ASN A 108 5.566 -3.388 -10.724 1.00 33.23 C ATOM 1688 C ASN A 108 4.158 -3.909 -10.375 1.00 22.24 C ATOM 1689 O ASN A 108 3.154 -3.252 -10.663 1.00 72.14 O ATOM 1690 CB ASN A 108 6.096 -4.088 -11.984 1.00 53.42 C ATOM 1691 CG ASN A 108 6.172 -5.599 -11.842 1.00 52.30 C ATOM 1692 OD1 ASN A 108 6.419 -6.129 -10.764 1.00 14.44 O ATOM 1693 ND2 ASN A 108 5.946 -6.305 -12.931 1.00 61.43 N ATOM 0 H ASN A 108 7.328 -4.115 -9.832 1.00 72.12 H new ATOM 0 HA ASN A 108 5.483 -2.319 -10.920 1.00 33.23 H new ATOM 0 HB2 ASN A 108 5.451 -3.841 -12.828 1.00 53.42 H new ATOM 0 HB3 ASN A 108 7.088 -3.701 -12.217 1.00 53.42 H new ATOM 0 HD21 ASN A 108 5.974 -7.324 -12.893 1.00 61.43 H new ATOM 0 HD22 ASN A 108 5.743 -5.833 -13.812 1.00 61.43 H new ATOM 1700 N LYS A 109 4.091 -5.085 -9.749 1.00 63.20 N ATOM 1701 CA LYS A 109 2.813 -5.661 -9.315 1.00 73.31 C ATOM 1702 C LYS A 109 2.134 -4.757 -8.280 1.00 75.24 C ATOM 1703 O LYS A 109 0.937 -4.479 -8.366 1.00 43.31 O ATOM 1704 CB LYS A 109 3.027 -7.059 -8.714 1.00 63.13 C ATOM 1705 CG LYS A 109 3.684 -8.056 -9.666 1.00 40.12 C ATOM 1706 CD LYS A 109 3.743 -9.461 -9.064 1.00 74.44 C ATOM 1707 CE LYS A 109 4.533 -9.500 -7.759 1.00 70.42 C ATOM 1708 NZ LYS A 109 4.625 -10.877 -7.207 1.00 14.13 N ATOM 0 H LYS A 109 4.905 -5.659 -9.530 1.00 63.20 H new ATOM 0 HA LYS A 109 2.169 -5.743 -10.190 1.00 73.31 H new ATOM 0 HB2 LYS A 109 3.644 -6.967 -7.820 1.00 63.13 H new ATOM 0 HB3 LYS A 109 2.063 -7.457 -8.397 1.00 63.13 H new ATOM 0 HG2 LYS A 109 3.128 -8.085 -10.603 1.00 40.12 H new ATOM 0 HG3 LYS A 109 4.693 -7.720 -9.905 1.00 40.12 H new ATOM 0 HD2 LYS A 109 2.729 -9.819 -8.883 1.00 74.44 H new ATOM 0 HD3 LYS A 109 4.199 -10.143 -9.782 1.00 74.44 H new ATOM 0 HE2 LYS A 109 5.536 -9.110 -7.930 1.00 70.42 H new ATOM 0 HE3 LYS A 109 4.058 -8.847 -7.027 1.00 70.42 H new ATOM 0 HZ1 LYS A 109 4.634 -10.835 -6.168 1.00 14.13 H new ATOM 0 HZ2 LYS A 109 3.805 -11.433 -7.524 1.00 14.13 H new ATOM 0 HZ3 LYS A 109 5.500 -11.328 -7.543 1.00 14.13 H new ATOM 1722 N VAL A 110 2.918 -4.297 -7.309 1.00 23.11 N ATOM 1723 CA VAL A 110 2.418 -3.410 -6.257 1.00 12.32 C ATOM 1724 C VAL A 110 1.832 -2.120 -6.849 1.00 40.30 C ATOM 1725 O VAL A 110 0.674 -1.781 -6.612 1.00 45.33 O ATOM 1726 CB VAL A 110 3.546 -3.043 -5.260 1.00 0.14 C ATOM 1727 CG1 VAL A 110 3.001 -2.223 -4.092 1.00 55.35 C ATOM 1728 CG2 VAL A 110 4.259 -4.302 -4.763 1.00 75.11 C ATOM 0 H VAL A 110 3.909 -4.524 -7.227 1.00 23.11 H new ATOM 0 HA VAL A 110 1.631 -3.949 -5.730 1.00 12.32 H new ATOM 0 HB VAL A 110 4.275 -2.427 -5.786 1.00 0.14 H new ATOM 0 HG11 VAL A 110 3.814 -1.979 -3.408 1.00 55.35 H new ATOM 0 HG12 VAL A 110 2.556 -1.302 -4.470 1.00 55.35 H new ATOM 0 HG13 VAL A 110 2.243 -2.801 -3.564 1.00 55.35 H new ATOM 0 HG21 VAL A 110 5.047 -4.022 -4.064 1.00 75.11 H new ATOM 0 HG22 VAL A 110 3.542 -4.952 -4.260 1.00 75.11 H new ATOM 0 HG23 VAL A 110 4.696 -4.831 -5.610 1.00 75.11 H new ATOM 1738 N LEU A 111 2.641 -1.418 -7.640 1.00 43.04 N ATOM 1739 CA LEU A 111 2.225 -0.165 -8.278 1.00 4.42 C ATOM 1740 C LEU A 111 0.988 -0.372 -9.171 1.00 74.31 C ATOM 1741 O LEU A 111 0.053 0.431 -9.155 1.00 71.13 O ATOM 1742 CB LEU A 111 3.386 0.405 -9.104 1.00 13.12 C ATOM 1743 CG LEU A 111 3.188 1.836 -9.632 1.00 72.04 C ATOM 1744 CD1 LEU A 111 2.976 2.815 -8.479 1.00 35.31 C ATOM 1745 CD2 LEU A 111 4.380 2.258 -10.490 1.00 4.12 C ATOM 0 H LEU A 111 3.598 -1.697 -7.857 1.00 43.04 H new ATOM 0 HA LEU A 111 1.954 0.543 -7.495 1.00 4.42 H new ATOM 0 HB2 LEU A 111 4.288 0.385 -8.492 1.00 13.12 H new ATOM 0 HB3 LEU A 111 3.562 -0.255 -9.953 1.00 13.12 H new ATOM 0 HG LEU A 111 2.294 1.851 -10.255 1.00 72.04 H new ATOM 0 HD11 LEU A 111 2.838 3.821 -8.876 1.00 35.31 H new ATOM 0 HD12 LEU A 111 2.091 2.524 -7.913 1.00 35.31 H new ATOM 0 HD13 LEU A 111 3.847 2.800 -7.824 1.00 35.31 H new ATOM 0 HD21 LEU A 111 4.224 3.273 -10.856 1.00 4.12 H new ATOM 0 HD22 LEU A 111 5.290 2.224 -9.891 1.00 4.12 H new ATOM 0 HD23 LEU A 111 4.478 1.578 -11.337 1.00 4.12 H new ATOM 1757 N SER A 112 0.990 -1.459 -9.945 1.00 43.24 N ATOM 1758 CA SER A 112 -0.156 -1.812 -10.798 1.00 44.10 C ATOM 1759 C SER A 112 -1.427 -2.015 -9.959 1.00 64.30 C ATOM 1760 O SER A 112 -2.513 -1.562 -10.329 1.00 1.04 O ATOM 1761 CB SER A 112 0.147 -3.091 -11.592 1.00 3.03 C ATOM 1762 OG SER A 112 -0.918 -3.425 -12.475 1.00 23.12 O ATOM 0 H SER A 112 1.771 -2.113 -10.002 1.00 43.24 H new ATOM 0 HA SER A 112 -0.325 -0.987 -11.490 1.00 44.10 H new ATOM 0 HB2 SER A 112 1.065 -2.956 -12.164 1.00 3.03 H new ATOM 0 HB3 SER A 112 0.320 -3.916 -10.901 1.00 3.03 H new ATOM 0 HG SER A 112 -0.692 -4.243 -12.966 1.00 23.12 H new ATOM 1768 N SER A 113 -1.273 -2.694 -8.823 1.00 31.13 N ATOM 1769 CA SER A 113 -2.385 -2.931 -7.891 1.00 3.31 C ATOM 1770 C SER A 113 -2.899 -1.613 -7.293 1.00 52.52 C ATOM 1771 O SER A 113 -4.109 -1.394 -7.194 1.00 35.33 O ATOM 1772 CB SER A 113 -1.941 -3.877 -6.766 1.00 50.24 C ATOM 1773 OG SER A 113 -3.018 -4.207 -5.905 1.00 61.51 O ATOM 0 H SER A 113 -0.385 -3.094 -8.521 1.00 31.13 H new ATOM 0 HA SER A 113 -3.199 -3.393 -8.450 1.00 3.31 H new ATOM 0 HB2 SER A 113 -1.528 -4.788 -7.198 1.00 50.24 H new ATOM 0 HB3 SER A 113 -1.144 -3.408 -6.189 1.00 50.24 H new ATOM 0 HG SER A 113 -3.401 -5.067 -6.176 1.00 61.51 H new ATOM 1779 N LEU A 114 -1.971 -0.730 -6.912 1.00 13.35 N ATOM 1780 CA LEU A 114 -2.321 0.585 -6.354 1.00 23.14 C ATOM 1781 C LEU A 114 -3.154 1.416 -7.343 1.00 20.35 C ATOM 1782 O LEU A 114 -4.134 2.062 -6.959 1.00 42.32 O ATOM 1783 CB LEU A 114 -1.047 1.354 -5.973 1.00 74.02 C ATOM 1784 CG LEU A 114 -0.192 0.709 -4.869 1.00 42.54 C ATOM 1785 CD1 LEU A 114 1.093 1.505 -4.643 1.00 43.35 C ATOM 1786 CD2 LEU A 114 -0.988 0.584 -3.570 1.00 0.22 C ATOM 0 H LEU A 114 -0.968 -0.901 -6.979 1.00 13.35 H new ATOM 0 HA LEU A 114 -2.925 0.416 -5.463 1.00 23.14 H new ATOM 0 HB2 LEU A 114 -0.432 1.468 -6.865 1.00 74.02 H new ATOM 0 HB3 LEU A 114 -1.331 2.356 -5.651 1.00 74.02 H new ATOM 0 HG LEU A 114 0.083 -0.294 -5.196 1.00 42.54 H new ATOM 0 HD11 LEU A 114 1.682 1.030 -3.858 1.00 43.35 H new ATOM 0 HD12 LEU A 114 1.672 1.530 -5.566 1.00 43.35 H new ATOM 0 HD13 LEU A 114 0.843 2.523 -4.344 1.00 43.35 H new ATOM 0 HD21 LEU A 114 -0.364 0.125 -2.803 1.00 0.22 H new ATOM 0 HD22 LEU A 114 -1.301 1.574 -3.238 1.00 0.22 H new ATOM 0 HD23 LEU A 114 -1.868 -0.037 -3.741 1.00 0.22 H new ATOM 1798 N VAL A 115 -2.761 1.398 -8.616 1.00 23.44 N ATOM 1799 CA VAL A 115 -3.508 2.105 -9.662 1.00 23.52 C ATOM 1800 C VAL A 115 -4.935 1.547 -9.792 1.00 31.22 C ATOM 1801 O VAL A 115 -5.909 2.302 -9.816 1.00 11.13 O ATOM 1802 CB VAL A 115 -2.783 2.029 -11.031 1.00 65.22 C ATOM 1803 CG1 VAL A 115 -3.591 2.732 -12.124 1.00 73.32 C ATOM 1804 CG2 VAL A 115 -1.382 2.631 -10.920 1.00 11.03 C ATOM 0 H VAL A 115 -1.933 0.904 -8.950 1.00 23.44 H new ATOM 0 HA VAL A 115 -3.565 3.152 -9.364 1.00 23.52 H new ATOM 0 HB VAL A 115 -2.691 0.980 -11.311 1.00 65.22 H new ATOM 0 HG11 VAL A 115 -3.058 2.662 -13.072 1.00 73.32 H new ATOM 0 HG12 VAL A 115 -4.566 2.254 -12.220 1.00 73.32 H new ATOM 0 HG13 VAL A 115 -3.725 3.781 -11.859 1.00 73.32 H new ATOM 0 HG21 VAL A 115 -0.883 2.572 -11.887 1.00 11.03 H new ATOM 0 HG22 VAL A 115 -1.458 3.674 -10.614 1.00 11.03 H new ATOM 0 HG23 VAL A 115 -0.805 2.076 -10.180 1.00 11.03 H new ATOM 1814 N THR A 116 -5.058 0.219 -9.851 1.00 42.42 N ATOM 1815 CA THR A 116 -6.375 -0.433 -9.870 1.00 5.52 C ATOM 1816 C THR A 116 -7.188 -0.058 -8.628 1.00 4.33 C ATOM 1817 O THR A 116 -8.398 0.159 -8.700 1.00 13.22 O ATOM 1818 CB THR A 116 -6.259 -1.974 -9.931 1.00 40.32 C ATOM 1819 OG1 THR A 116 -5.503 -2.365 -11.087 1.00 50.14 O ATOM 1820 CG2 THR A 116 -7.640 -2.632 -9.980 1.00 72.54 C ATOM 0 H THR A 116 -4.268 -0.425 -9.886 1.00 42.42 H new ATOM 0 HA THR A 116 -6.880 -0.080 -10.769 1.00 5.52 H new ATOM 0 HB THR A 116 -5.749 -2.307 -9.027 1.00 40.32 H new ATOM 0 HG1 THR A 116 -4.557 -2.153 -10.946 1.00 50.14 H new ATOM 0 HG21 THR A 116 -7.526 -3.715 -10.022 1.00 72.54 H new ATOM 0 HG22 THR A 116 -8.204 -2.361 -9.087 1.00 72.54 H new ATOM 0 HG23 THR A 116 -8.175 -2.289 -10.865 1.00 72.54 H new ATOM 1828 N LEU A 117 -6.506 0.022 -7.489 1.00 75.45 N ATOM 1829 CA LEU A 117 -7.135 0.405 -6.225 1.00 12.12 C ATOM 1830 C LEU A 117 -7.752 1.814 -6.316 1.00 71.13 C ATOM 1831 O LEU A 117 -8.846 2.065 -5.806 1.00 4.03 O ATOM 1832 CB LEU A 117 -6.099 0.336 -5.094 1.00 33.34 C ATOM 1833 CG LEU A 117 -6.642 0.567 -3.675 1.00 22.53 C ATOM 1834 CD1 LEU A 117 -7.719 -0.455 -3.326 1.00 13.50 C ATOM 1835 CD2 LEU A 117 -5.507 0.523 -2.654 1.00 23.50 C ATOM 0 H LEU A 117 -5.508 -0.175 -7.414 1.00 75.45 H new ATOM 0 HA LEU A 117 -7.944 -0.293 -6.011 1.00 12.12 H new ATOM 0 HB2 LEU A 117 -5.620 -0.643 -5.125 1.00 33.34 H new ATOM 0 HB3 LEU A 117 -5.324 1.076 -5.291 1.00 33.34 H new ATOM 0 HG LEU A 117 -7.097 1.557 -3.645 1.00 22.53 H new ATOM 0 HD11 LEU A 117 -8.085 -0.268 -2.317 1.00 13.50 H new ATOM 0 HD12 LEU A 117 -8.544 -0.370 -4.033 1.00 13.50 H new ATOM 0 HD13 LEU A 117 -7.298 -1.459 -3.379 1.00 13.50 H new ATOM 0 HD21 LEU A 117 -5.910 0.689 -1.655 1.00 23.50 H new ATOM 0 HD22 LEU A 117 -5.021 -0.452 -2.692 1.00 23.50 H new ATOM 0 HD23 LEU A 117 -4.779 1.301 -2.885 1.00 23.50 H new ATOM 1847 N ASN A 118 -7.048 2.733 -6.975 1.00 0.32 N ATOM 1848 CA ASN A 118 -7.581 4.076 -7.233 1.00 12.03 C ATOM 1849 C ASN A 118 -8.791 4.018 -8.187 1.00 72.11 C ATOM 1850 O ASN A 118 -9.782 4.727 -7.999 1.00 64.03 O ATOM 1851 CB ASN A 118 -6.483 4.977 -7.814 1.00 55.13 C ATOM 1852 CG ASN A 118 -6.975 6.380 -8.133 1.00 62.33 C ATOM 1853 OD1 ASN A 118 -7.415 6.660 -9.244 1.00 41.02 O ATOM 1854 ND2 ASN A 118 -6.916 7.274 -7.164 1.00 52.20 N ATOM 0 H ASN A 118 -6.109 2.576 -7.341 1.00 0.32 H new ATOM 0 HA ASN A 118 -7.920 4.497 -6.286 1.00 12.03 H new ATOM 0 HB2 ASN A 118 -5.658 5.039 -7.104 1.00 55.13 H new ATOM 0 HB3 ASN A 118 -6.088 4.521 -8.722 1.00 55.13 H new ATOM 0 HD21 ASN A 118 -7.241 8.227 -7.329 1.00 52.20 H new ATOM 0 HD22 ASN A 118 -6.545 7.012 -6.251 1.00 52.20 H new ATOM 1861 N LYS A 119 -8.702 3.154 -9.200 1.00 62.45 N ATOM 1862 CA LYS A 119 -9.785 2.976 -10.181 1.00 60.12 C ATOM 1863 C LYS A 119 -11.078 2.458 -9.526 1.00 42.43 C ATOM 1864 O LYS A 119 -12.152 3.033 -9.706 1.00 0.14 O ATOM 1865 CB LYS A 119 -9.348 1.998 -11.280 1.00 42.22 C ATOM 1866 CG LYS A 119 -8.147 2.467 -12.099 1.00 33.42 C ATOM 1867 CD LYS A 119 -7.696 1.403 -13.099 1.00 64.21 C ATOM 1868 CE LYS A 119 -8.790 1.068 -14.106 1.00 75.51 C ATOM 1869 NZ LYS A 119 -8.419 -0.083 -14.969 1.00 12.43 N ATOM 0 H LYS A 119 -7.888 2.562 -9.367 1.00 62.45 H new ATOM 0 HA LYS A 119 -9.992 3.955 -10.613 1.00 60.12 H new ATOM 0 HB2 LYS A 119 -9.108 1.039 -10.822 1.00 42.22 H new ATOM 0 HB3 LYS A 119 -10.188 1.828 -11.954 1.00 42.22 H new ATOM 0 HG2 LYS A 119 -8.405 3.382 -12.632 1.00 33.42 H new ATOM 0 HG3 LYS A 119 -7.322 2.710 -11.429 1.00 33.42 H new ATOM 0 HD2 LYS A 119 -6.811 1.755 -13.629 1.00 64.21 H new ATOM 0 HD3 LYS A 119 -7.408 0.499 -12.562 1.00 64.21 H new ATOM 0 HE2 LYS A 119 -9.714 0.840 -13.575 1.00 75.51 H new ATOM 0 HE3 LYS A 119 -8.988 1.940 -14.730 1.00 75.51 H new ATOM 0 HZ1 LYS A 119 -9.190 -0.277 -15.639 1.00 12.43 H new ATOM 0 HZ2 LYS A 119 -7.551 0.144 -15.496 1.00 12.43 H new ATOM 0 HZ3 LYS A 119 -8.255 -0.922 -14.377 1.00 12.43 H new ATOM 1883 N VAL A 120 -10.970 1.363 -8.773 1.00 55.12 N ATOM 1884 CA VAL A 120 -12.140 0.744 -8.137 1.00 71.32 C ATOM 1885 C VAL A 120 -12.808 1.685 -7.115 1.00 43.21 C ATOM 1886 O VAL A 120 -14.034 1.742 -7.021 1.00 14.34 O ATOM 1887 CB VAL A 120 -11.776 -0.604 -7.455 1.00 12.25 C ATOM 1888 CG1 VAL A 120 -11.338 -1.639 -8.491 1.00 11.42 C ATOM 1889 CG2 VAL A 120 -10.687 -0.410 -6.400 1.00 75.21 C ATOM 0 H VAL A 120 -10.088 0.885 -8.587 1.00 55.12 H new ATOM 0 HA VAL A 120 -12.854 0.547 -8.936 1.00 71.32 H new ATOM 0 HB VAL A 120 -12.671 -0.975 -6.956 1.00 12.25 H new ATOM 0 HG11 VAL A 120 -11.089 -2.574 -7.989 1.00 11.42 H new ATOM 0 HG12 VAL A 120 -12.149 -1.812 -9.198 1.00 11.42 H new ATOM 0 HG13 VAL A 120 -10.463 -1.270 -9.026 1.00 11.42 H new ATOM 0 HG21 VAL A 120 -10.452 -1.369 -5.939 1.00 75.21 H new ATOM 0 HG22 VAL A 120 -9.792 -0.005 -6.872 1.00 75.21 H new ATOM 0 HG23 VAL A 120 -11.040 0.283 -5.636 1.00 75.21 H new ATOM 1899 N THR A 121 -12.002 2.438 -6.366 1.00 72.42 N ATOM 1900 CA THR A 121 -12.536 3.386 -5.378 1.00 61.25 C ATOM 1901 C THR A 121 -13.211 4.588 -6.048 1.00 32.13 C ATOM 1902 O THR A 121 -14.150 5.169 -5.499 1.00 71.53 O ATOM 1903 CB THR A 121 -11.440 3.887 -4.410 1.00 61.31 C ATOM 1904 OG1 THR A 121 -10.353 4.479 -5.142 1.00 33.33 O ATOM 1905 CG2 THR A 121 -10.920 2.737 -3.556 1.00 64.45 C ATOM 0 H THR A 121 -10.984 2.413 -6.421 1.00 72.42 H new ATOM 0 HA THR A 121 -13.284 2.837 -4.806 1.00 61.25 H new ATOM 0 HB THR A 121 -11.880 4.643 -3.759 1.00 61.31 H new ATOM 0 HG1 THR A 121 -9.748 3.775 -5.455 1.00 33.33 H new ATOM 0 HG21 THR A 121 -10.149 3.106 -2.880 1.00 64.45 H new ATOM 0 HG22 THR A 121 -11.740 2.315 -2.975 1.00 64.45 H new ATOM 0 HG23 THR A 121 -10.498 1.966 -4.201 1.00 64.45 H new ATOM 1913 N ALA A 122 -12.739 4.954 -7.241 1.00 64.55 N ATOM 1914 CA ALA A 122 -13.390 5.998 -8.039 1.00 72.20 C ATOM 1915 C ALA A 122 -14.852 5.629 -8.334 1.00 53.22 C ATOM 1916 O ALA A 122 -15.737 6.487 -8.309 1.00 24.12 O ATOM 1917 CB ALA A 122 -12.627 6.230 -9.340 1.00 12.13 C ATOM 0 H ALA A 122 -11.912 4.546 -7.676 1.00 64.55 H new ATOM 0 HA ALA A 122 -13.381 6.922 -7.461 1.00 72.20 H new ATOM 0 HB1 ALA A 122 -13.124 7.008 -9.920 1.00 12.13 H new ATOM 0 HB2 ALA A 122 -11.608 6.542 -9.113 1.00 12.13 H new ATOM 0 HB3 ALA A 122 -12.604 5.306 -9.918 1.00 12.13 H new ATOM 1923 N ASP A 123 -15.091 4.346 -8.609 1.00 42.55 N ATOM 1924 CA ASP A 123 -16.450 3.826 -8.822 1.00 11.54 C ATOM 1925 C ASP A 123 -17.246 3.796 -7.506 1.00 14.14 C ATOM 1926 O ASP A 123 -18.415 4.191 -7.467 1.00 42.44 O ATOM 1927 CB ASP A 123 -16.379 2.420 -9.437 1.00 34.11 C ATOM 1928 CG ASP A 123 -17.737 1.736 -9.505 1.00 24.43 C ATOM 1929 OD1 ASP A 123 -18.539 2.072 -10.397 1.00 70.03 O ATOM 1930 OD2 ASP A 123 -18.013 0.859 -8.655 1.00 45.21 O ATOM 0 H ASP A 123 -14.359 3.641 -8.691 1.00 42.55 H new ATOM 0 HA ASP A 123 -16.970 4.493 -9.510 1.00 11.54 H new ATOM 0 HB2 ASP A 123 -15.961 2.489 -10.441 1.00 34.11 H new ATOM 0 HB3 ASP A 123 -15.697 1.806 -8.849 1.00 34.11 H new ATOM 1935 N ILE A 124 -16.608 3.323 -6.433 1.00 52.34 N ATOM 1936 CA ILE A 124 -17.237 3.279 -5.102 1.00 11.24 C ATOM 1937 C ILE A 124 -17.708 4.678 -4.658 1.00 22.20 C ATOM 1938 O ILE A 124 -18.743 4.817 -4.002 1.00 43.35 O ATOM 1939 CB ILE A 124 -16.263 2.699 -4.040 1.00 20.23 C ATOM 1940 CG1 ILE A 124 -15.839 1.271 -4.433 1.00 0.32 C ATOM 1941 CG2 ILE A 124 -16.899 2.709 -2.648 1.00 14.23 C ATOM 1942 CD1 ILE A 124 -14.823 0.650 -3.494 1.00 44.01 C ATOM 0 H ILE A 124 -15.654 2.963 -6.456 1.00 52.34 H new ATOM 0 HA ILE A 124 -18.105 2.625 -5.181 1.00 11.24 H new ATOM 0 HB ILE A 124 -15.376 3.331 -4.006 1.00 20.23 H new ATOM 0 HG12 ILE A 124 -16.724 0.636 -4.466 1.00 0.32 H new ATOM 0 HG13 ILE A 124 -15.423 1.290 -5.440 1.00 0.32 H new ATOM 0 HG21 ILE A 124 -16.196 2.298 -1.924 1.00 14.23 H new ATOM 0 HG22 ILE A 124 -17.149 3.733 -2.370 1.00 14.23 H new ATOM 0 HG23 ILE A 124 -17.805 2.104 -2.658 1.00 14.23 H new ATOM 0 HD11 ILE A 124 -14.576 -0.354 -3.838 1.00 44.01 H new ATOM 0 HD12 ILE A 124 -13.920 1.261 -3.479 1.00 44.01 H new ATOM 0 HD13 ILE A 124 -15.242 0.596 -2.489 1.00 44.01 H new ATOM 1954 N GLY A 125 -16.941 5.706 -5.021 1.00 54.32 N ATOM 1955 CA GLY A 125 -17.328 7.083 -4.717 1.00 53.02 C ATOM 1956 C GLY A 125 -16.240 7.885 -4.009 1.00 30.43 C ATOM 1957 O GLY A 125 -16.537 8.740 -3.170 1.00 63.21 O ATOM 0 H GLY A 125 -16.057 5.613 -5.521 1.00 54.32 H new ATOM 0 HA2 GLY A 125 -17.594 7.589 -5.645 1.00 53.02 H new ATOM 0 HA3 GLY A 125 -18.222 7.070 -4.093 1.00 53.02 H new ATOM 1961 N LEU A 126 -14.977 7.619 -4.348 1.00 62.44 N ATOM 1962 CA LEU A 126 -13.836 8.342 -3.759 1.00 33.25 C ATOM 1963 C LEU A 126 -12.890 8.882 -4.854 1.00 12.23 C ATOM 1964 O LEU A 126 -11.989 8.134 -5.297 1.00 38.16 O ATOM 1965 CB LEU A 126 -13.067 7.418 -2.796 1.00 12.22 C ATOM 1966 CG LEU A 126 -13.869 6.911 -1.584 1.00 44.24 C ATOM 1967 CD1 LEU A 126 -13.041 5.918 -0.773 1.00 65.34 C ATOM 1968 CD2 LEU A 126 -14.321 8.081 -0.705 1.00 21.44 C ATOM 1969 OXT LEU A 126 -13.056 10.053 -5.271 1.00 38.16 O ATOM 0 H LEU A 126 -14.713 6.907 -5.029 1.00 62.44 H new ATOM 0 HA LEU A 126 -14.224 9.195 -3.202 1.00 33.25 H new ATOM 0 HB2 LEU A 126 -12.706 6.556 -3.357 1.00 12.22 H new ATOM 0 HB3 LEU A 126 -12.189 7.951 -2.432 1.00 12.22 H new ATOM 0 HG LEU A 126 -14.758 6.399 -1.952 1.00 44.24 H new ATOM 0 HD11 LEU A 126 -13.623 5.570 0.080 1.00 65.34 H new ATOM 0 HD12 LEU A 126 -12.774 5.068 -1.401 1.00 65.34 H new ATOM 0 HD13 LEU A 126 -12.133 6.406 -0.418 1.00 65.34 H new ATOM 0 HD21 LEU A 126 -14.886 7.700 0.146 1.00 21.44 H new ATOM 0 HD22 LEU A 126 -13.447 8.625 -0.346 1.00 21.44 H new ATOM 0 HD23 LEU A 126 -14.952 8.752 -1.288 1.00 21.44 H new TER 1981 LEU A 126