USER MOD reduce.3.24.130724 H: found=0, std=0, add=1053, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 885 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 59 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 61 LYS NZ :NH3+ 159:sc= 0.0842 (180deg=0.0185) USER MOD Single : A 1 GLY N :NH3+ 134:sc= 0.0388 (180deg=0) USER MOD Single : A 2 MET CE :methyl -162:sc= -0.0593 (180deg=-0.418) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0256 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -32:sc= 0.0533 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 147:sc= 0.0534 (180deg=-0.279) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.0822 X(o=-0.082,f=-0.56) USER MOD Single : A 26 SER OG : rot 180:sc= -0.0748 USER MOD Single : A 29 ASN : amide:sc= -0.0162 X(o=-0.016,f=0) USER MOD Single : A 31 GLN : amide:sc= -0.0825 X(o=-0.082,f=-0.077) USER MOD Single : A 32 GLN : amide:sc= 0.703 K(o=0.7,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.404 USER MOD Single : A 46 SER OG : rot 180:sc= 0.365 USER MOD Single : A 50 HIS : no HD1:sc=-0.00479 X(o=-0.0048,f=-0.0033) USER MOD Single : A 52 HIS : no HD1:sc= -0.0222 X(o=-0.022,f=0) USER MOD Single : A 54 ASN : amide:sc= -0.28 X(o=-0.28,f=-0.011) USER MOD Single : A 60 HIS : no HE2:sc= 0.533 K(o=0.53,f=-2.4!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.208 X(o=-0.21,f=-0.21) USER MOD Single : A 65 ASN : amide:sc= -0.0282 X(o=-0.028,f=-0.011) USER MOD Single : A 67 ASN : amide:sc=-0.00127 X(o=-0.0013,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.446 X(o=-0.45,f=-0.14) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 HIS : no HE2:sc= 0.184 K(o=0.18,f=-1.1) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 90 TYR OH : rot 166:sc= 1.28 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 73:sc= 0.163 USER MOD Single : A 101 ASN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 102 GLN : amide:sc= 1.2 K(o=1.2,f=-0.62) USER MOD Single : A 108 ASN : amide:sc= 0.797 K(o=0.8,f=-0.014) USER MOD Single : A 109 TYR OH : rot -173:sc= 0.98 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0.013 USER MOD Single : A 126 MET CE :methyl -142:sc= -0.0872 (180deg=-1.07) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 HIS : no HD1:sc= -0.0176 X(o=-0.018,f=-0.018) USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.962 -10.393 -29.312 1.00 15.24 N ATOM 2 CA GLY A 1 -7.256 -9.694 -28.056 1.00 64.30 C ATOM 3 C GLY A 1 -7.605 -10.693 -26.979 1.00 12.22 C ATOM 4 O GLY A 1 -8.292 -11.670 -27.264 1.00 2.45 O ATOM 0 H1 GLY A 1 -7.455 -9.920 -30.096 1.00 15.24 H new ATOM 0 H2 GLY A 1 -5.937 -10.376 -29.487 1.00 15.24 H new ATOM 0 H3 GLY A 1 -7.286 -11.379 -29.245 1.00 15.24 H new ATOM 0 HA2 GLY A 1 -6.394 -9.102 -27.749 1.00 64.30 H new ATOM 0 HA3 GLY A 1 -8.084 -9.000 -28.202 1.00 64.30 H new ATOM 8 N MET A 2 -7.139 -10.464 -25.751 1.00 22.51 N ATOM 9 CA MET A 2 -7.478 -11.275 -24.587 1.00 0.43 C ATOM 10 C MET A 2 -7.388 -10.375 -23.349 1.00 21.41 C ATOM 11 O MET A 2 -6.776 -9.301 -23.416 1.00 4.14 O ATOM 12 CB MET A 2 -6.516 -12.476 -24.528 1.00 14.33 C ATOM 13 CG MET A 2 -7.072 -13.664 -23.740 1.00 33.43 C ATOM 14 SD MET A 2 -6.131 -15.212 -23.904 1.00 4.32 S ATOM 15 CE MET A 2 -6.385 -15.588 -25.663 1.00 53.11 C ATOM 0 H MET A 2 -6.504 -9.695 -25.536 1.00 22.51 H new ATOM 0 HA MET A 2 -8.490 -11.676 -24.640 1.00 0.43 H new ATOM 0 HB2 MET A 2 -6.287 -12.799 -25.544 1.00 14.33 H new ATOM 0 HB3 MET A 2 -5.577 -12.157 -24.076 1.00 14.33 H new ATOM 0 HG2 MET A 2 -7.113 -13.392 -22.685 1.00 33.43 H new ATOM 0 HG3 MET A 2 -8.097 -13.845 -24.062 1.00 33.43 H new ATOM 0 HE1 MET A 2 -6.155 -16.637 -25.848 1.00 53.11 H new ATOM 0 HE2 MET A 2 -7.423 -15.392 -25.931 1.00 53.11 H new ATOM 0 HE3 MET A 2 -5.730 -14.961 -26.267 1.00 53.11 H new ATOM 23 N THR A 3 -7.976 -10.810 -22.235 1.00 2.15 N ATOM 24 CA THR A 3 -7.913 -10.136 -20.940 1.00 20.11 C ATOM 25 C THR A 3 -7.794 -11.186 -19.817 1.00 24.35 C ATOM 26 O THR A 3 -8.157 -12.353 -20.023 1.00 33.34 O ATOM 27 CB THR A 3 -9.127 -9.197 -20.739 1.00 33.21 C ATOM 28 OG1 THR A 3 -10.215 -9.508 -21.598 1.00 64.51 O ATOM 29 CG2 THR A 3 -8.732 -7.737 -20.990 1.00 4.25 C ATOM 0 H THR A 3 -8.526 -11.668 -22.209 1.00 2.15 H new ATOM 0 HA THR A 3 -7.026 -9.503 -20.907 1.00 20.11 H new ATOM 0 HB THR A 3 -9.444 -9.343 -19.706 1.00 33.21 H new ATOM 0 HG1 THR A 3 -10.954 -8.887 -21.428 1.00 64.51 H new ATOM 0 HG21 THR A 3 -9.600 -7.095 -20.843 1.00 4.25 H new ATOM 0 HG22 THR A 3 -7.945 -7.448 -20.293 1.00 4.25 H new ATOM 0 HG23 THR A 3 -8.369 -7.629 -22.012 1.00 4.25 H new ATOM 37 N PRO A 4 -7.252 -10.807 -18.644 1.00 73.20 N ATOM 38 CA PRO A 4 -6.819 -11.759 -17.631 1.00 33.25 C ATOM 39 C PRO A 4 -7.957 -12.255 -16.728 1.00 53.42 C ATOM 40 O PRO A 4 -9.119 -11.840 -16.835 1.00 40.33 O ATOM 41 CB PRO A 4 -5.733 -11.017 -16.841 1.00 1.45 C ATOM 42 CG PRO A 4 -6.220 -9.572 -16.876 1.00 15.21 C ATOM 43 CD PRO A 4 -6.802 -9.466 -18.284 1.00 55.44 C ATOM 0 HA PRO A 4 -6.447 -12.675 -18.089 1.00 33.25 H new ATOM 0 HB2 PRO A 4 -5.648 -11.391 -15.821 1.00 1.45 H new ATOM 0 HB3 PRO A 4 -4.752 -11.125 -17.303 1.00 1.45 H new ATOM 0 HG2 PRO A 4 -6.969 -9.375 -16.109 1.00 15.21 H new ATOM 0 HG3 PRO A 4 -5.407 -8.864 -16.716 1.00 15.21 H new ATOM 0 HD2 PRO A 4 -7.630 -8.758 -18.310 1.00 55.44 H new ATOM 0 HD3 PRO A 4 -6.052 -9.105 -18.988 1.00 55.44 H new ATOM 48 N GLN A 5 -7.590 -13.144 -15.809 1.00 21.31 N ATOM 49 CA GLN A 5 -8.420 -13.729 -14.773 1.00 43.33 C ATOM 50 C GLN A 5 -7.659 -13.582 -13.459 1.00 63.23 C ATOM 51 O GLN A 5 -6.425 -13.615 -13.456 1.00 63.50 O ATOM 52 CB GLN A 5 -8.621 -15.221 -15.083 1.00 44.34 C ATOM 53 CG GLN A 5 -10.090 -15.644 -15.200 1.00 41.32 C ATOM 54 CD GLN A 5 -10.203 -17.144 -15.472 1.00 20.43 C ATOM 55 OE1 GLN A 5 -9.218 -17.830 -15.731 1.00 72.41 O ATOM 56 NE2 GLN A 5 -11.393 -17.706 -15.405 1.00 53.10 N ATOM 0 H GLN A 5 -6.634 -13.497 -15.771 1.00 21.31 H new ATOM 0 HA GLN A 5 -9.393 -13.241 -14.717 1.00 43.33 H new ATOM 0 HB2 GLN A 5 -8.110 -15.459 -16.016 1.00 44.34 H new ATOM 0 HB3 GLN A 5 -8.145 -15.811 -14.300 1.00 44.34 H new ATOM 0 HG2 GLN A 5 -10.619 -15.396 -14.280 1.00 41.32 H new ATOM 0 HG3 GLN A 5 -10.571 -15.087 -16.004 1.00 41.32 H new ATOM 0 HE21 GLN A 5 -12.213 -17.139 -15.190 1.00 53.10 H new ATOM 0 HE22 GLN A 5 -11.494 -18.708 -15.568 1.00 53.10 H new ATOM 63 N SER A 6 -8.390 -13.498 -12.352 1.00 31.44 N ATOM 64 CA SER A 6 -7.857 -13.563 -11.003 1.00 70.51 C ATOM 65 C SER A 6 -7.297 -14.966 -10.745 1.00 1.15 C ATOM 66 O SER A 6 -8.039 -15.899 -10.433 1.00 21.45 O ATOM 67 CB SER A 6 -8.960 -13.197 -10.017 1.00 32.24 C ATOM 68 OG SER A 6 -9.588 -11.981 -10.393 1.00 2.42 O ATOM 0 H SER A 6 -9.403 -13.379 -12.374 1.00 31.44 H new ATOM 0 HA SER A 6 -7.040 -12.853 -10.875 1.00 70.51 H new ATOM 0 HB2 SER A 6 -9.700 -13.997 -9.978 1.00 32.24 H new ATOM 0 HB3 SER A 6 -8.541 -13.101 -9.015 1.00 32.24 H new ATOM 0 HG SER A 6 -10.294 -11.765 -9.749 1.00 2.42 H new ATOM 73 N ASP A 7 -5.991 -15.116 -10.945 1.00 52.14 N ATOM 74 CA ASP A 7 -5.238 -16.374 -10.809 1.00 64.24 C ATOM 75 C ASP A 7 -3.836 -16.120 -10.243 1.00 1.35 C ATOM 76 O ASP A 7 -2.923 -16.939 -10.356 1.00 4.13 O ATOM 77 CB ASP A 7 -5.172 -17.082 -12.169 1.00 22.54 C ATOM 78 CG ASP A 7 -5.728 -18.505 -12.082 1.00 60.32 C ATOM 79 OD1 ASP A 7 -5.212 -19.308 -11.272 1.00 1.12 O ATOM 80 OD2 ASP A 7 -6.726 -18.790 -12.786 1.00 13.43 O ATOM 0 H ASP A 7 -5.396 -14.334 -11.219 1.00 52.14 H new ATOM 0 HA ASP A 7 -5.756 -17.022 -10.102 1.00 64.24 H new ATOM 0 HB2 ASP A 7 -5.738 -16.512 -12.906 1.00 22.54 H new ATOM 0 HB3 ASP A 7 -4.139 -17.113 -12.515 1.00 22.54 H new ATOM 84 N THR A 8 -3.657 -14.928 -9.673 1.00 14.22 N ATOM 85 CA THR A 8 -2.486 -14.510 -8.902 1.00 25.14 C ATOM 86 C THR A 8 -2.150 -15.534 -7.803 1.00 24.23 C ATOM 87 O THR A 8 -3.049 -16.248 -7.348 1.00 12.24 O ATOM 88 CB THR A 8 -2.744 -13.117 -8.280 1.00 23.25 C ATOM 89 OG1 THR A 8 -4.115 -12.932 -7.951 1.00 54.14 O ATOM 90 CG2 THR A 8 -2.316 -11.982 -9.212 1.00 70.44 C ATOM 0 H THR A 8 -4.360 -14.192 -9.740 1.00 14.22 H new ATOM 0 HA THR A 8 -1.630 -14.452 -9.575 1.00 25.14 H new ATOM 0 HB THR A 8 -2.142 -13.084 -7.372 1.00 23.25 H new ATOM 0 HG1 THR A 8 -4.240 -12.043 -7.559 1.00 54.14 H new ATOM 0 HG21 THR A 8 -2.516 -11.023 -8.733 1.00 70.44 H new ATOM 0 HG22 THR A 8 -1.250 -12.067 -9.423 1.00 70.44 H new ATOM 0 HG23 THR A 8 -2.877 -12.046 -10.145 1.00 70.44 H new ATOM 98 N PRO A 9 -0.912 -15.535 -7.286 1.00 65.11 N ATOM 99 CA PRO A 9 -0.533 -16.339 -6.129 1.00 33.12 C ATOM 100 C PRO A 9 -1.299 -15.913 -4.863 1.00 24.55 C ATOM 101 O PRO A 9 -2.036 -14.917 -4.849 1.00 74.33 O ATOM 102 CB PRO A 9 0.985 -16.188 -6.026 1.00 62.23 C ATOM 103 CG PRO A 9 1.311 -14.880 -6.740 1.00 34.12 C ATOM 104 CD PRO A 9 0.198 -14.715 -7.752 1.00 22.53 C ATOM 0 HA PRO A 9 -0.800 -17.390 -6.239 1.00 33.12 H new ATOM 0 HB2 PRO A 9 1.307 -16.158 -4.985 1.00 62.23 H new ATOM 0 HB3 PRO A 9 1.496 -17.029 -6.494 1.00 62.23 H new ATOM 0 HG2 PRO A 9 1.341 -14.043 -6.042 1.00 34.12 H new ATOM 0 HG3 PRO A 9 2.286 -14.925 -7.225 1.00 34.12 H new ATOM 0 HD2 PRO A 9 -0.100 -13.670 -7.834 1.00 22.53 H new ATOM 0 HD3 PRO A 9 0.525 -15.032 -8.743 1.00 22.53 H new ATOM 109 N LYS A 10 -1.132 -16.676 -3.779 1.00 2.24 N ATOM 110 CA LYS A 10 -1.800 -16.491 -2.490 1.00 32.11 C ATOM 111 C LYS A 10 -0.725 -16.220 -1.447 1.00 24.24 C ATOM 112 O LYS A 10 0.284 -16.931 -1.384 1.00 64.43 O ATOM 113 CB LYS A 10 -2.686 -17.713 -2.176 1.00 63.12 C ATOM 114 CG LYS A 10 -4.024 -17.594 -2.938 1.00 61.40 C ATOM 115 CD LYS A 10 -4.523 -18.872 -3.624 1.00 45.32 C ATOM 116 CE LYS A 10 -5.357 -19.790 -2.725 1.00 13.11 C ATOM 117 NZ LYS A 10 -5.977 -20.902 -3.484 1.00 42.10 N ATOM 0 H LYS A 10 -0.498 -17.475 -3.777 1.00 2.24 H new ATOM 0 HA LYS A 10 -2.478 -15.637 -2.499 1.00 32.11 H new ATOM 0 HB2 LYS A 10 -2.173 -18.630 -2.464 1.00 63.12 H new ATOM 0 HB3 LYS A 10 -2.871 -17.774 -1.104 1.00 63.12 H new ATOM 0 HG2 LYS A 10 -4.789 -17.259 -2.238 1.00 61.40 H new ATOM 0 HG3 LYS A 10 -3.921 -16.816 -3.694 1.00 61.40 H new ATOM 0 HD2 LYS A 10 -5.120 -18.594 -4.492 1.00 45.32 H new ATOM 0 HD3 LYS A 10 -3.663 -19.430 -3.994 1.00 45.32 H new ATOM 0 HE2 LYS A 10 -4.723 -20.198 -1.938 1.00 13.11 H new ATOM 0 HE3 LYS A 10 -6.137 -19.206 -2.236 1.00 13.11 H new ATOM 0 HZ1 LYS A 10 -6.532 -21.498 -2.836 1.00 42.10 H new ATOM 0 HZ2 LYS A 10 -6.602 -20.514 -4.219 1.00 42.10 H new ATOM 0 HZ3 LYS A 10 -5.233 -21.475 -3.930 1.00 42.10 H new ATOM 127 N VAL A 11 -0.850 -15.092 -0.745 1.00 10.43 N ATOM 128 CA VAL A 11 0.168 -14.636 0.194 1.00 24.32 C ATOM 129 C VAL A 11 0.193 -15.624 1.357 1.00 33.34 C ATOM 130 O VAL A 11 -0.861 -16.061 1.823 1.00 72.51 O ATOM 131 CB VAL A 11 -0.121 -13.192 0.663 1.00 61.44 C ATOM 132 CG1 VAL A 11 0.898 -12.673 1.688 1.00 42.32 C ATOM 133 CG2 VAL A 11 -0.103 -12.203 -0.512 1.00 43.40 C ATOM 0 H VAL A 11 -1.658 -14.473 -0.813 1.00 10.43 H new ATOM 0 HA VAL A 11 1.148 -14.607 -0.282 1.00 24.32 H new ATOM 0 HB VAL A 11 -1.108 -13.246 1.122 1.00 61.44 H new ATOM 0 HG11 VAL A 11 0.638 -11.654 1.976 1.00 42.32 H new ATOM 0 HG12 VAL A 11 0.886 -13.314 2.570 1.00 42.32 H new ATOM 0 HG13 VAL A 11 1.895 -12.682 1.247 1.00 42.32 H new ATOM 0 HG21 VAL A 11 -0.310 -11.198 -0.145 1.00 43.40 H new ATOM 0 HG22 VAL A 11 0.878 -12.221 -0.988 1.00 43.40 H new ATOM 0 HG23 VAL A 11 -0.864 -12.488 -1.239 1.00 43.40 H new ATOM 143 N THR A 12 1.384 -15.934 1.858 1.00 44.40 N ATOM 144 CA THR A 12 1.585 -16.809 3.003 1.00 44.11 C ATOM 145 C THR A 12 2.677 -16.257 3.948 1.00 71.54 C ATOM 146 O THR A 12 2.950 -16.850 4.993 1.00 41.44 O ATOM 147 CB THR A 12 1.787 -18.243 2.469 1.00 65.43 C ATOM 148 OG1 THR A 12 1.678 -19.202 3.501 1.00 50.34 O ATOM 149 CG2 THR A 12 3.091 -18.427 1.685 1.00 44.30 C ATOM 0 H THR A 12 2.256 -15.574 1.469 1.00 44.40 H new ATOM 0 HA THR A 12 0.712 -16.846 3.655 1.00 44.11 H new ATOM 0 HB THR A 12 0.977 -18.407 1.758 1.00 65.43 H new ATOM 0 HG1 THR A 12 2.002 -18.816 4.342 1.00 50.34 H new ATOM 0 HG21 THR A 12 3.166 -19.458 1.340 1.00 44.30 H new ATOM 0 HG22 THR A 12 3.097 -17.756 0.826 1.00 44.30 H new ATOM 0 HG23 THR A 12 3.939 -18.198 2.330 1.00 44.30 H new ATOM 157 N GLY A 13 3.257 -15.080 3.674 1.00 24.43 N ATOM 158 CA GLY A 13 4.167 -14.430 4.609 1.00 41.43 C ATOM 159 C GLY A 13 4.046 -12.924 4.533 1.00 71.31 C ATOM 160 O GLY A 13 3.954 -12.383 3.427 1.00 32.23 O ATOM 0 H GLY A 13 3.107 -14.563 2.808 1.00 24.43 H new ATOM 0 HA2 GLY A 13 3.950 -14.764 5.624 1.00 41.43 H new ATOM 0 HA3 GLY A 13 5.192 -14.727 4.388 1.00 41.43 H new ATOM 164 N LEU A 14 4.065 -12.265 5.692 1.00 65.32 N ATOM 165 CA LEU A 14 3.910 -10.826 5.855 1.00 44.43 C ATOM 166 C LEU A 14 4.824 -10.402 7.006 1.00 23.33 C ATOM 167 O LEU A 14 4.726 -10.999 8.083 1.00 63.34 O ATOM 168 CB LEU A 14 2.444 -10.462 6.166 1.00 50.31 C ATOM 169 CG LEU A 14 1.466 -10.867 5.039 1.00 34.42 C ATOM 170 CD1 LEU A 14 0.753 -12.196 5.338 1.00 31.32 C ATOM 171 CD2 LEU A 14 0.395 -9.802 4.837 1.00 10.03 C ATOM 0 H LEU A 14 4.195 -12.746 6.582 1.00 65.32 H new ATOM 0 HA LEU A 14 4.179 -10.307 4.935 1.00 44.43 H new ATOM 0 HB2 LEU A 14 2.143 -10.951 7.093 1.00 50.31 H new ATOM 0 HB3 LEU A 14 2.370 -9.388 6.334 1.00 50.31 H new ATOM 0 HG LEU A 14 2.073 -10.977 4.140 1.00 34.42 H new ATOM 0 HD11 LEU A 14 0.077 -12.439 4.518 1.00 31.32 H new ATOM 0 HD12 LEU A 14 1.493 -12.990 5.445 1.00 31.32 H new ATOM 0 HD13 LEU A 14 0.183 -12.103 6.263 1.00 31.32 H new ATOM 0 HD21 LEU A 14 -0.280 -10.111 4.039 1.00 10.03 H new ATOM 0 HD22 LEU A 14 -0.170 -9.674 5.760 1.00 10.03 H new ATOM 0 HD23 LEU A 14 0.867 -8.858 4.567 1.00 10.03 H new ATOM 182 N LYS A 15 5.703 -9.414 6.808 1.00 73.13 N ATOM 183 CA LYS A 15 6.630 -8.957 7.843 1.00 34.31 C ATOM 184 C LYS A 15 6.821 -7.456 7.805 1.00 24.20 C ATOM 185 O LYS A 15 7.449 -6.928 6.893 1.00 12.42 O ATOM 186 CB LYS A 15 7.974 -9.674 7.677 1.00 61.24 C ATOM 187 CG LYS A 15 8.970 -9.486 8.826 1.00 1.42 C ATOM 188 CD LYS A 15 8.404 -9.594 10.248 1.00 44.14 C ATOM 189 CE LYS A 15 7.602 -10.882 10.467 1.00 62.14 C ATOM 190 NZ LYS A 15 7.315 -11.089 11.899 1.00 4.34 N ATOM 0 H LYS A 15 5.790 -8.910 5.925 1.00 73.13 H new ATOM 0 HA LYS A 15 6.203 -9.201 8.816 1.00 34.31 H new ATOM 0 HB2 LYS A 15 7.784 -10.740 7.555 1.00 61.24 H new ATOM 0 HB3 LYS A 15 8.440 -9.326 6.755 1.00 61.24 H new ATOM 0 HG2 LYS A 15 9.761 -10.228 8.717 1.00 1.42 H new ATOM 0 HG3 LYS A 15 9.435 -8.506 8.717 1.00 1.42 H new ATOM 0 HD2 LYS A 15 9.224 -9.554 10.965 1.00 44.14 H new ATOM 0 HD3 LYS A 15 7.765 -8.734 10.447 1.00 44.14 H new ATOM 0 HE2 LYS A 15 6.667 -10.832 9.909 1.00 62.14 H new ATOM 0 HE3 LYS A 15 8.161 -11.733 10.078 1.00 62.14 H new ATOM 0 HZ1 LYS A 15 6.771 -11.967 12.021 1.00 4.34 H new ATOM 0 HZ2 LYS A 15 8.209 -11.160 12.426 1.00 4.34 H new ATOM 0 HZ3 LYS A 15 6.762 -10.286 12.262 1.00 4.34 H new ATOM 200 N LEU A 16 6.283 -6.741 8.786 1.00 74.43 N ATOM 201 CA LEU A 16 6.532 -5.317 8.891 1.00 43.01 C ATOM 202 C LEU A 16 7.953 -5.026 9.345 1.00 64.55 C ATOM 203 O LEU A 16 8.658 -5.883 9.886 1.00 72.13 O ATOM 204 CB LEU A 16 5.482 -4.618 9.773 1.00 23.21 C ATOM 205 CG LEU A 16 4.526 -3.835 8.870 1.00 12.22 C ATOM 206 CD1 LEU A 16 3.617 -4.809 8.128 1.00 73.35 C ATOM 207 CD2 LEU A 16 3.755 -2.829 9.701 1.00 2.00 C ATOM 0 H LEU A 16 5.677 -7.124 9.512 1.00 74.43 H new ATOM 0 HA LEU A 16 6.431 -4.896 7.891 1.00 43.01 H new ATOM 0 HB2 LEU A 16 4.931 -5.353 10.359 1.00 23.21 H new ATOM 0 HB3 LEU A 16 5.969 -3.947 10.480 1.00 23.21 H new ATOM 0 HG LEU A 16 5.080 -3.273 8.118 1.00 12.22 H new ATOM 0 HD11 LEU A 16 2.936 -4.253 7.485 1.00 73.35 H new ATOM 0 HD12 LEU A 16 4.223 -5.481 7.520 1.00 73.35 H new ATOM 0 HD13 LEU A 16 3.042 -5.391 8.848 1.00 73.35 H new ATOM 0 HD21 LEU A 16 3.074 -2.271 9.058 1.00 2.00 H new ATOM 0 HD22 LEU A 16 3.183 -3.352 10.468 1.00 2.00 H new ATOM 0 HD23 LEU A 16 4.452 -2.139 10.176 1.00 2.00 H new ATOM 218 N LYS A 17 8.354 -3.775 9.140 1.00 42.42 N ATOM 219 CA LYS A 17 9.584 -3.187 9.651 1.00 10.24 C ATOM 220 C LYS A 17 9.320 -1.723 9.974 1.00 2.32 C ATOM 221 O LYS A 17 9.550 -0.830 9.154 1.00 41.41 O ATOM 222 CB LYS A 17 10.765 -3.380 8.688 1.00 61.15 C ATOM 223 CG LYS A 17 10.498 -2.962 7.231 1.00 64.51 C ATOM 224 CD LYS A 17 10.295 -4.141 6.270 1.00 43.45 C ATOM 225 CE LYS A 17 11.630 -4.598 5.682 1.00 51.15 C ATOM 226 NZ LYS A 17 12.488 -5.304 6.650 1.00 11.04 N ATOM 0 H LYS A 17 7.805 -3.116 8.588 1.00 42.42 H new ATOM 0 HA LYS A 17 9.881 -3.702 10.564 1.00 10.24 H new ATOM 0 HB2 LYS A 17 11.615 -2.810 9.063 1.00 61.15 H new ATOM 0 HB3 LYS A 17 11.055 -4.431 8.700 1.00 61.15 H new ATOM 0 HG2 LYS A 17 9.613 -2.327 7.203 1.00 64.51 H new ATOM 0 HG3 LYS A 17 11.334 -2.359 6.878 1.00 64.51 H new ATOM 0 HD2 LYS A 17 9.823 -4.969 6.798 1.00 43.45 H new ATOM 0 HD3 LYS A 17 9.619 -3.849 5.466 1.00 43.45 H new ATOM 0 HE2 LYS A 17 11.438 -5.254 4.833 1.00 51.15 H new ATOM 0 HE3 LYS A 17 12.166 -3.729 5.300 1.00 51.15 H new ATOM 0 HZ1 LYS A 17 13.043 -6.031 6.156 1.00 11.04 H new ATOM 0 HZ2 LYS A 17 13.132 -4.625 7.103 1.00 11.04 H new ATOM 0 HZ3 LYS A 17 11.895 -5.755 7.376 1.00 11.04 H new ATOM 236 N ARG A 18 8.852 -1.464 11.196 1.00 44.03 N ATOM 237 CA ARG A 18 8.559 -0.106 11.660 1.00 30.12 C ATOM 238 C ARG A 18 9.761 0.838 11.505 1.00 5.34 C ATOM 239 O ARG A 18 9.562 2.025 11.269 1.00 43.11 O ATOM 240 CB ARG A 18 8.008 -0.153 13.093 1.00 22.34 C ATOM 241 CG ARG A 18 9.092 -0.344 14.165 1.00 45.32 C ATOM 242 CD ARG A 18 8.592 -1.165 15.352 1.00 44.01 C ATOM 243 NE ARG A 18 8.733 -2.608 15.097 1.00 2.14 N ATOM 244 CZ ARG A 18 9.010 -3.549 16.001 1.00 50.04 C ATOM 245 NH1 ARG A 18 9.000 -3.258 17.299 1.00 64.54 N ATOM 246 NH2 ARG A 18 9.295 -4.777 15.590 1.00 65.42 N ATOM 0 H ARG A 18 8.666 -2.187 11.891 1.00 44.03 H new ATOM 0 HA ARG A 18 7.785 0.320 11.021 1.00 30.12 H new ATOM 0 HB2 ARG A 18 7.468 0.772 13.296 1.00 22.34 H new ATOM 0 HB3 ARG A 18 7.287 -0.967 13.169 1.00 22.34 H new ATOM 0 HG2 ARG A 18 9.956 -0.839 13.721 1.00 45.32 H new ATOM 0 HG3 ARG A 18 9.429 0.631 14.516 1.00 45.32 H new ATOM 0 HD2 ARG A 18 9.153 -0.894 16.247 1.00 44.01 H new ATOM 0 HD3 ARG A 18 7.546 -0.928 15.547 1.00 44.01 H new ATOM 0 HE ARG A 18 8.606 -2.919 14.134 1.00 2.14 H new ATOM 0 HH11 ARG A 18 8.780 -2.311 17.608 1.00 64.54 H new ATOM 0 HH12 ARG A 18 9.213 -3.982 17.986 1.00 64.54 H new ATOM 0 HH21 ARG A 18 9.301 -4.993 14.593 1.00 65.42 H new ATOM 0 HH22 ARG A 18 9.509 -5.506 16.271 1.00 65.42 H new ATOM 257 N LYS A 19 10.989 0.297 11.543 1.00 42.33 N ATOM 258 CA LYS A 19 12.255 1.002 11.320 1.00 14.34 C ATOM 259 C LYS A 19 12.180 1.888 10.073 1.00 43.24 C ATOM 260 O LYS A 19 12.674 3.009 10.099 1.00 34.23 O ATOM 261 CB LYS A 19 13.420 0.000 11.156 1.00 21.51 C ATOM 262 CG LYS A 19 13.550 -1.116 12.217 1.00 10.11 C ATOM 263 CD LYS A 19 14.773 -1.025 13.146 1.00 51.25 C ATOM 264 CE LYS A 19 14.524 -0.050 14.300 1.00 1.32 C ATOM 265 NZ LYS A 19 15.594 -0.090 15.320 1.00 44.03 N ATOM 0 H LYS A 19 11.130 -0.694 11.740 1.00 42.33 H new ATOM 0 HA LYS A 19 12.435 1.628 12.194 1.00 14.34 H new ATOM 0 HB2 LYS A 19 13.323 -0.473 10.179 1.00 21.51 H new ATOM 0 HB3 LYS A 19 14.352 0.565 11.145 1.00 21.51 H new ATOM 0 HG2 LYS A 19 12.650 -1.111 12.832 1.00 10.11 H new ATOM 0 HG3 LYS A 19 13.580 -2.077 11.703 1.00 10.11 H new ATOM 0 HD2 LYS A 19 15.003 -2.013 13.545 1.00 51.25 H new ATOM 0 HD3 LYS A 19 15.643 -0.701 12.575 1.00 51.25 H new ATOM 0 HE2 LYS A 19 14.442 0.962 13.904 1.00 1.32 H new ATOM 0 HE3 LYS A 19 13.570 -0.286 14.771 1.00 1.32 H new ATOM 0 HZ1 LYS A 19 15.377 0.588 16.078 1.00 44.03 H new ATOM 0 HZ2 LYS A 19 15.657 -1.048 15.720 1.00 44.03 H new ATOM 0 HZ3 LYS A 19 16.502 0.162 14.880 1.00 44.03 H new ATOM 275 N SER A 20 11.525 1.403 9.015 1.00 4.14 N ATOM 276 CA SER A 20 11.489 2.016 7.697 1.00 73.15 C ATOM 277 C SER A 20 10.057 2.387 7.288 1.00 70.21 C ATOM 278 O SER A 20 9.854 2.880 6.182 1.00 71.34 O ATOM 279 CB SER A 20 12.083 0.997 6.714 1.00 13.40 C ATOM 280 OG SER A 20 13.323 0.496 7.187 1.00 50.34 O ATOM 0 H SER A 20 10.986 0.538 9.061 1.00 4.14 H new ATOM 0 HA SER A 20 12.062 2.943 7.697 1.00 73.15 H new ATOM 0 HB2 SER A 20 11.384 0.173 6.573 1.00 13.40 H new ATOM 0 HB3 SER A 20 12.224 1.466 5.740 1.00 13.40 H new ATOM 0 HG SER A 20 13.680 -0.152 6.545 1.00 50.34 H new ATOM 285 N ARG A 21 9.060 2.088 8.140 1.00 34.20 N ATOM 286 CA ARG A 21 7.639 2.013 7.780 1.00 11.11 C ATOM 287 C ARG A 21 7.468 1.255 6.452 1.00 25.41 C ATOM 288 O ARG A 21 6.921 1.768 5.480 1.00 21.51 O ATOM 289 CB ARG A 21 6.953 3.393 7.785 1.00 71.13 C ATOM 290 CG ARG A 21 6.422 3.900 9.135 1.00 44.13 C ATOM 291 CD ARG A 21 7.456 4.492 10.085 1.00 5.41 C ATOM 292 NE ARG A 21 8.242 5.548 9.426 1.00 34.50 N ATOM 293 CZ ARG A 21 9.567 5.698 9.497 1.00 54.12 C ATOM 294 NH1 ARG A 21 10.306 4.915 10.282 1.00 25.51 N ATOM 295 NH2 ARG A 21 10.133 6.640 8.758 1.00 25.44 N ATOM 0 H ARG A 21 9.229 1.887 9.126 1.00 34.20 H new ATOM 0 HA ARG A 21 7.122 1.443 8.552 1.00 11.11 H new ATOM 0 HB2 ARG A 21 7.663 4.126 7.403 1.00 71.13 H new ATOM 0 HB3 ARG A 21 6.120 3.360 7.083 1.00 71.13 H new ATOM 0 HG2 ARG A 21 5.661 4.657 8.942 1.00 44.13 H new ATOM 0 HG3 ARG A 21 5.926 3.072 9.641 1.00 44.13 H new ATOM 0 HD2 ARG A 21 6.955 4.902 10.962 1.00 5.41 H new ATOM 0 HD3 ARG A 21 8.123 3.705 10.437 1.00 5.41 H new ATOM 0 HE ARG A 21 7.728 6.227 8.864 1.00 34.50 H new ATOM 0 HH11 ARG A 21 9.861 4.187 10.841 1.00 25.51 H new ATOM 0 HH12 ARG A 21 11.317 5.043 10.324 1.00 25.51 H new ATOM 0 HH21 ARG A 21 9.559 7.229 8.155 1.00 25.44 H new ATOM 0 HH22 ARG A 21 11.143 6.777 8.792 1.00 25.44 H new ATOM 306 N GLN A 22 7.933 0.007 6.401 1.00 10.33 N ATOM 307 CA GLN A 22 7.795 -0.856 5.229 1.00 32.14 C ATOM 308 C GLN A 22 7.211 -2.201 5.670 1.00 34.40 C ATOM 309 O GLN A 22 7.110 -2.482 6.871 1.00 13.10 O ATOM 310 CB GLN A 22 9.151 -0.982 4.504 1.00 72.22 C ATOM 311 CG GLN A 22 9.502 0.218 3.602 1.00 32.13 C ATOM 312 CD GLN A 22 10.981 0.237 3.201 1.00 32.52 C ATOM 313 OE1 GLN A 22 11.672 1.240 3.334 1.00 41.04 O ATOM 314 NE2 GLN A 22 11.519 -0.872 2.728 1.00 51.14 N ATOM 0 H GLN A 22 8.420 -0.437 7.179 1.00 10.33 H new ATOM 0 HA GLN A 22 7.104 -0.424 4.505 1.00 32.14 H new ATOM 0 HB2 GLN A 22 9.938 -1.104 5.248 1.00 72.22 H new ATOM 0 HB3 GLN A 22 9.143 -1.887 3.897 1.00 72.22 H new ATOM 0 HG2 GLN A 22 8.886 0.186 2.704 1.00 32.13 H new ATOM 0 HG3 GLN A 22 9.258 1.144 4.123 1.00 32.13 H new ATOM 0 HE21 GLN A 22 10.947 -1.709 2.616 1.00 51.14 H new ATOM 0 HE22 GLN A 22 12.507 -0.892 2.475 1.00 51.14 H new ATOM 321 N LEU A 23 6.813 -3.028 4.709 1.00 43.03 N ATOM 322 CA LEU A 23 6.170 -4.326 4.886 1.00 13.11 C ATOM 323 C LEU A 23 6.640 -5.258 3.793 1.00 31.13 C ATOM 324 O LEU A 23 6.665 -4.853 2.640 1.00 54.45 O ATOM 325 CB LEU A 23 4.647 -4.104 4.831 1.00 70.22 C ATOM 326 CG LEU A 23 3.705 -5.293 4.545 1.00 65.22 C ATOM 327 CD1 LEU A 23 3.522 -5.496 3.055 1.00 53.33 C ATOM 328 CD2 LEU A 23 3.908 -6.633 5.266 1.00 23.12 C ATOM 0 H LEU A 23 6.939 -2.795 3.724 1.00 43.03 H new ATOM 0 HA LEU A 23 6.428 -4.779 5.843 1.00 13.11 H new ATOM 0 HB2 LEU A 23 4.347 -3.675 5.787 1.00 70.22 H new ATOM 0 HB3 LEU A 23 4.457 -3.348 4.069 1.00 70.22 H new ATOM 0 HG LEU A 23 2.792 -4.945 5.028 1.00 65.22 H new ATOM 0 HD11 LEU A 23 2.854 -6.340 2.882 1.00 53.33 H new ATOM 0 HD12 LEU A 23 3.091 -4.596 2.615 1.00 53.33 H new ATOM 0 HD13 LEU A 23 4.489 -5.698 2.594 1.00 53.33 H new ATOM 0 HD21 LEU A 23 3.150 -7.343 4.934 1.00 23.12 H new ATOM 0 HD22 LEU A 23 4.899 -7.024 5.034 1.00 23.12 H new ATOM 0 HD23 LEU A 23 3.819 -6.484 6.342 1.00 23.12 H new ATOM 339 N GLU A 24 7.002 -6.477 4.174 1.00 4.32 N ATOM 340 CA GLU A 24 7.517 -7.538 3.297 1.00 30.31 C ATOM 341 C GLU A 24 6.369 -8.513 3.019 1.00 62.35 C ATOM 342 O GLU A 24 5.651 -8.864 3.953 1.00 61.45 O ATOM 343 CB GLU A 24 8.697 -8.295 3.951 1.00 63.22 C ATOM 344 CG GLU A 24 9.813 -7.375 4.480 1.00 2.11 C ATOM 345 CD GLU A 24 11.045 -8.050 5.138 1.00 42.12 C ATOM 346 OE1 GLU A 24 10.927 -8.970 5.991 1.00 74.14 O ATOM 347 OE2 GLU A 24 12.176 -7.549 4.953 1.00 13.34 O ATOM 0 H GLU A 24 6.944 -6.773 5.148 1.00 4.32 H new ATOM 0 HA GLU A 24 7.888 -7.093 2.374 1.00 30.31 H new ATOM 0 HB2 GLU A 24 8.316 -8.899 4.775 1.00 63.22 H new ATOM 0 HB3 GLU A 24 9.123 -8.984 3.221 1.00 63.22 H new ATOM 0 HG2 GLU A 24 10.167 -6.764 3.650 1.00 2.11 H new ATOM 0 HG3 GLU A 24 9.372 -6.696 5.210 1.00 2.11 H new ATOM 352 N ILE A 25 6.204 -8.956 1.772 1.00 1.13 N ATOM 353 CA ILE A 25 5.159 -9.859 1.277 1.00 21.22 C ATOM 354 C ILE A 25 5.821 -11.078 0.672 1.00 70.33 C ATOM 355 O ILE A 25 6.950 -11.014 0.183 1.00 70.34 O ATOM 356 CB ILE A 25 4.248 -9.136 0.250 1.00 23.52 C ATOM 357 CG1 ILE A 25 3.330 -8.165 1.008 1.00 4.14 C ATOM 358 CG2 ILE A 25 3.343 -10.054 -0.600 1.00 4.12 C ATOM 359 CD1 ILE A 25 3.054 -6.911 0.188 1.00 12.03 C ATOM 0 H ILE A 25 6.841 -8.674 1.027 1.00 1.13 H new ATOM 0 HA ILE A 25 4.519 -10.173 2.101 1.00 21.22 H new ATOM 0 HB ILE A 25 4.931 -8.645 -0.443 1.00 23.52 H new ATOM 0 HG12 ILE A 25 2.389 -8.661 1.246 1.00 4.14 H new ATOM 0 HG13 ILE A 25 3.793 -7.888 1.955 1.00 4.14 H new ATOM 0 HG21 ILE A 25 2.749 -9.447 -1.284 1.00 4.12 H new ATOM 0 HG22 ILE A 25 3.961 -10.746 -1.172 1.00 4.12 H new ATOM 0 HG23 ILE A 25 2.679 -10.618 0.055 1.00 4.12 H new ATOM 0 HD11 ILE A 25 2.402 -6.244 0.752 1.00 12.03 H new ATOM 0 HD12 ILE A 25 3.994 -6.403 -0.027 1.00 12.03 H new ATOM 0 HD13 ILE A 25 2.569 -7.188 -0.748 1.00 12.03 H new ATOM 370 N SER A 26 5.101 -12.198 0.738 1.00 54.04 N ATOM 371 CA SER A 26 5.642 -13.504 0.447 1.00 10.32 C ATOM 372 C SER A 26 4.545 -14.391 -0.115 1.00 13.03 C ATOM 373 O SER A 26 3.495 -14.548 0.515 1.00 74.53 O ATOM 374 CB SER A 26 6.300 -14.087 1.715 1.00 52.31 C ATOM 375 OG SER A 26 6.517 -13.131 2.748 1.00 23.53 O ATOM 0 H SER A 26 4.115 -12.212 0.999 1.00 54.04 H new ATOM 0 HA SER A 26 6.421 -13.438 -0.312 1.00 10.32 H new ATOM 0 HB2 SER A 26 5.671 -14.888 2.102 1.00 52.31 H new ATOM 0 HB3 SER A 26 7.256 -14.535 1.443 1.00 52.31 H new ATOM 0 HG SER A 26 6.934 -13.571 3.518 1.00 23.53 H new ATOM 380 N PHE A 27 4.763 -14.899 -1.327 1.00 1.15 N ATOM 381 CA PHE A 27 3.792 -15.667 -2.088 1.00 11.11 C ATOM 382 C PHE A 27 4.206 -17.122 -2.107 1.00 32.43 C ATOM 383 O PHE A 27 5.385 -17.421 -2.302 1.00 50.12 O ATOM 384 CB PHE A 27 3.706 -15.139 -3.525 1.00 45.24 C ATOM 385 CG PHE A 27 2.739 -13.988 -3.712 1.00 44.10 C ATOM 386 CD1 PHE A 27 1.404 -14.156 -3.307 1.00 64.13 C ATOM 387 CD2 PHE A 27 3.106 -12.815 -4.396 1.00 71.51 C ATOM 388 CE1 PHE A 27 0.435 -13.184 -3.584 1.00 4.34 C ATOM 389 CE2 PHE A 27 2.125 -11.846 -4.686 1.00 43.10 C ATOM 390 CZ PHE A 27 0.795 -12.017 -4.271 1.00 74.13 C ATOM 0 H PHE A 27 5.650 -14.781 -1.817 1.00 1.15 H new ATOM 0 HA PHE A 27 2.814 -15.569 -1.617 1.00 11.11 H new ATOM 0 HB2 PHE A 27 4.699 -14.819 -3.841 1.00 45.24 H new ATOM 0 HB3 PHE A 27 3.410 -15.957 -4.182 1.00 45.24 H new ATOM 0 HD1 PHE A 27 1.120 -15.051 -2.773 1.00 64.13 H new ATOM 0 HD2 PHE A 27 4.131 -12.658 -4.696 1.00 71.51 H new ATOM 0 HE1 PHE A 27 -0.587 -13.333 -3.269 1.00 4.34 H new ATOM 0 HE2 PHE A 27 2.401 -10.958 -5.236 1.00 43.10 H new ATOM 0 HZ PHE A 27 0.057 -11.257 -4.479 1.00 74.13 H new ATOM 399 N ASP A 28 3.217 -18.012 -1.997 1.00 64.32 N ATOM 400 CA ASP A 28 3.464 -19.444 -1.807 1.00 21.53 C ATOM 401 C ASP A 28 4.104 -20.057 -3.055 1.00 71.51 C ATOM 402 O ASP A 28 4.894 -20.990 -2.953 1.00 71.54 O ATOM 403 CB ASP A 28 2.153 -20.140 -1.412 1.00 41.01 C ATOM 404 CG ASP A 28 2.306 -21.643 -1.166 1.00 12.44 C ATOM 405 OD1 ASP A 28 2.186 -22.423 -2.137 1.00 42.43 O ATOM 406 OD2 ASP A 28 2.398 -22.030 0.017 1.00 4.12 O ATOM 0 H ASP A 28 2.229 -17.763 -2.037 1.00 64.32 H new ATOM 0 HA ASP A 28 4.177 -19.590 -0.995 1.00 21.53 H new ATOM 0 HB2 ASP A 28 1.760 -19.671 -0.510 1.00 41.01 H new ATOM 0 HB3 ASP A 28 1.416 -19.983 -2.200 1.00 41.01 H new ATOM 410 N ASN A 29 3.874 -19.447 -4.227 1.00 12.04 N ATOM 411 CA ASN A 29 4.457 -19.911 -5.488 1.00 75.54 C ATOM 412 C ASN A 29 5.973 -19.660 -5.564 1.00 61.44 C ATOM 413 O ASN A 29 6.655 -20.295 -6.370 1.00 35.53 O ATOM 414 CB ASN A 29 3.714 -19.307 -6.700 1.00 20.54 C ATOM 415 CG ASN A 29 4.498 -18.233 -7.452 1.00 14.31 C ATOM 416 OD1 ASN A 29 5.095 -18.504 -8.485 1.00 75.34 O ATOM 417 ND2 ASN A 29 4.514 -16.999 -6.961 1.00 35.53 N ATOM 0 H ASN A 29 3.281 -18.623 -4.324 1.00 12.04 H new ATOM 0 HA ASN A 29 4.325 -20.992 -5.521 1.00 75.54 H new ATOM 0 HB2 ASN A 29 3.464 -20.110 -7.394 1.00 20.54 H new ATOM 0 HB3 ASN A 29 2.773 -18.878 -6.356 1.00 20.54 H new ATOM 0 HD21 ASN A 29 5.028 -16.264 -7.446 1.00 35.53 H new ATOM 0 HD22 ASN A 29 4.012 -16.787 -6.099 1.00 35.53 H new ATOM 423 N GLY A 30 6.515 -18.784 -4.711 1.00 31.12 N ATOM 424 CA GLY A 30 7.922 -18.418 -4.688 1.00 64.51 C ATOM 425 C GLY A 30 8.140 -17.053 -5.334 1.00 35.41 C ATOM 426 O GLY A 30 8.816 -16.953 -6.351 1.00 42.23 O ATOM 0 H GLY A 30 5.966 -18.301 -4.001 1.00 31.12 H new ATOM 0 HA2 GLY A 30 8.280 -18.399 -3.659 1.00 64.51 H new ATOM 0 HA3 GLY A 30 8.507 -19.172 -5.215 1.00 64.51 H new ATOM 430 N GLN A 31 7.588 -15.989 -4.746 1.00 55.42 N ATOM 431 CA GLN A 31 7.996 -14.605 -5.006 1.00 71.12 C ATOM 432 C GLN A 31 7.962 -13.856 -3.676 1.00 44.22 C ATOM 433 O GLN A 31 7.224 -14.255 -2.768 1.00 54.43 O ATOM 434 CB GLN A 31 7.056 -13.906 -6.006 1.00 11.45 C ATOM 435 CG GLN A 31 7.194 -14.356 -7.466 1.00 32.31 C ATOM 436 CD GLN A 31 8.561 -14.100 -8.106 1.00 40.23 C ATOM 437 OE1 GLN A 31 9.076 -14.941 -8.831 1.00 53.14 O ATOM 438 NE2 GLN A 31 9.155 -12.927 -7.955 1.00 31.32 N ATOM 0 H GLN A 31 6.833 -16.065 -4.065 1.00 55.42 H new ATOM 0 HA GLN A 31 8.994 -14.605 -5.444 1.00 71.12 H new ATOM 0 HB2 GLN A 31 6.027 -14.073 -5.688 1.00 11.45 H new ATOM 0 HB3 GLN A 31 7.235 -12.832 -5.956 1.00 11.45 H new ATOM 0 HG2 GLN A 31 6.980 -15.423 -7.521 1.00 32.31 H new ATOM 0 HG3 GLN A 31 6.433 -13.848 -8.059 1.00 32.31 H new ATOM 0 HE21 GLN A 31 8.737 -12.217 -7.354 1.00 31.32 H new ATOM 0 HE22 GLN A 31 10.031 -12.733 -8.440 1.00 31.32 H new ATOM 445 N GLN A 32 8.719 -12.766 -3.566 1.00 11.45 N ATOM 446 CA GLN A 32 8.739 -11.894 -2.395 1.00 13.13 C ATOM 447 C GLN A 32 8.932 -10.448 -2.850 1.00 72.44 C ATOM 448 O GLN A 32 9.664 -10.201 -3.811 1.00 43.03 O ATOM 449 CB GLN A 32 9.862 -12.336 -1.428 1.00 44.13 C ATOM 450 CG GLN A 32 9.356 -13.291 -0.335 1.00 13.30 C ATOM 451 CD GLN A 32 9.863 -14.721 -0.456 1.00 0.32 C ATOM 452 OE1 GLN A 32 10.858 -15.107 0.155 1.00 43.42 O ATOM 453 NE2 GLN A 32 9.183 -15.558 -1.212 1.00 15.03 N ATOM 0 H GLN A 32 9.350 -12.458 -4.306 1.00 11.45 H new ATOM 0 HA GLN A 32 7.792 -11.965 -1.860 1.00 13.13 H new ATOM 0 HB2 GLN A 32 10.654 -12.825 -1.995 1.00 44.13 H new ATOM 0 HB3 GLN A 32 10.302 -11.455 -0.961 1.00 44.13 H new ATOM 0 HG2 GLN A 32 9.650 -12.897 0.638 1.00 13.30 H new ATOM 0 HG3 GLN A 32 8.266 -13.303 -0.358 1.00 13.30 H new ATOM 0 HE21 GLN A 32 8.358 -15.234 -1.717 1.00 15.03 H new ATOM 0 HE22 GLN A 32 9.481 -16.530 -1.292 1.00 15.03 H new ATOM 460 N PHE A 33 8.300 -9.488 -2.182 1.00 24.44 N ATOM 461 CA PHE A 33 8.499 -8.062 -2.421 1.00 32.12 C ATOM 462 C PHE A 33 8.047 -7.251 -1.213 1.00 33.54 C ATOM 463 O PHE A 33 7.213 -7.701 -0.434 1.00 3.41 O ATOM 464 CB PHE A 33 7.722 -7.604 -3.659 1.00 0.02 C ATOM 465 CG PHE A 33 6.291 -8.076 -3.754 1.00 24.33 C ATOM 466 CD1 PHE A 33 5.277 -7.398 -3.057 1.00 31.12 C ATOM 467 CD2 PHE A 33 5.967 -9.149 -4.601 1.00 71.44 C ATOM 468 CE1 PHE A 33 3.938 -7.772 -3.237 1.00 11.12 C ATOM 469 CE2 PHE A 33 4.630 -9.528 -4.770 1.00 3.24 C ATOM 470 CZ PHE A 33 3.614 -8.846 -4.076 1.00 52.04 C ATOM 0 H PHE A 33 7.622 -9.683 -1.445 1.00 24.44 H new ATOM 0 HA PHE A 33 9.563 -7.897 -2.589 1.00 32.12 H new ATOM 0 HB2 PHE A 33 7.727 -6.514 -3.684 1.00 0.02 H new ATOM 0 HB3 PHE A 33 8.256 -7.946 -4.546 1.00 0.02 H new ATOM 0 HD1 PHE A 33 5.528 -6.591 -2.385 1.00 31.12 H new ATOM 0 HD2 PHE A 33 6.749 -9.681 -5.122 1.00 71.44 H new ATOM 0 HE1 PHE A 33 3.154 -7.231 -2.728 1.00 11.12 H new ATOM 0 HE2 PHE A 33 4.379 -10.343 -5.432 1.00 3.24 H new ATOM 0 HZ PHE A 33 2.584 -9.150 -4.190 1.00 52.04 H new ATOM 479 N THR A 34 8.513 -6.011 -1.108 1.00 53.23 N ATOM 480 CA THR A 34 8.343 -5.173 0.069 1.00 24.52 C ATOM 481 C THR A 34 7.816 -3.825 -0.392 1.00 22.34 C ATOM 482 O THR A 34 8.322 -3.282 -1.374 1.00 64.12 O ATOM 483 CB THR A 34 9.691 -5.062 0.797 1.00 2.03 C ATOM 484 OG1 THR A 34 10.145 -6.380 1.036 1.00 54.44 O ATOM 485 CG2 THR A 34 9.719 -4.262 2.102 1.00 44.33 C ATOM 0 H THR A 34 9.031 -5.552 -1.857 1.00 53.23 H new ATOM 0 HA THR A 34 7.628 -5.597 0.774 1.00 24.52 H new ATOM 0 HB THR A 34 10.338 -4.483 0.139 1.00 2.03 H new ATOM 0 HG1 THR A 34 11.008 -6.350 1.500 1.00 54.44 H new ATOM 0 HG21 THR A 34 10.730 -4.265 2.509 1.00 44.33 H new ATOM 0 HG22 THR A 34 9.410 -3.235 1.906 1.00 44.33 H new ATOM 0 HG23 THR A 34 9.037 -4.715 2.821 1.00 44.33 H new ATOM 493 N LEU A 35 6.801 -3.308 0.293 1.00 52.14 N ATOM 494 CA LEU A 35 6.137 -2.047 0.005 1.00 1.11 C ATOM 495 C LEU A 35 6.280 -1.115 1.202 1.00 33.23 C ATOM 496 O LEU A 35 6.570 -1.548 2.321 1.00 14.21 O ATOM 497 CB LEU A 35 4.649 -2.318 -0.286 1.00 21.11 C ATOM 498 CG LEU A 35 4.371 -2.588 -1.775 1.00 64.51 C ATOM 499 CD1 LEU A 35 3.134 -3.473 -1.916 1.00 21.21 C ATOM 500 CD2 LEU A 35 4.089 -1.277 -2.505 1.00 45.41 C ATOM 0 H LEU A 35 6.402 -3.782 1.103 1.00 52.14 H new ATOM 0 HA LEU A 35 6.592 -1.574 -0.865 1.00 1.11 H new ATOM 0 HB2 LEU A 35 4.319 -3.175 0.301 1.00 21.11 H new ATOM 0 HB3 LEU A 35 4.058 -1.462 0.040 1.00 21.11 H new ATOM 0 HG LEU A 35 5.246 -3.077 -2.202 1.00 64.51 H new ATOM 0 HD11 LEU A 35 2.940 -3.662 -2.972 1.00 21.21 H new ATOM 0 HD12 LEU A 35 3.304 -4.420 -1.403 1.00 21.21 H new ATOM 0 HD13 LEU A 35 2.274 -2.970 -1.474 1.00 21.21 H new ATOM 0 HD21 LEU A 35 3.894 -1.481 -3.558 1.00 45.41 H new ATOM 0 HD22 LEU A 35 3.218 -0.794 -2.062 1.00 45.41 H new ATOM 0 HD23 LEU A 35 4.953 -0.619 -2.417 1.00 45.41 H new ATOM 511 N SER A 36 6.020 0.166 0.977 1.00 1.24 N ATOM 512 CA SER A 36 6.104 1.206 1.990 1.00 33.41 C ATOM 513 C SER A 36 4.707 1.544 2.503 1.00 31.52 C ATOM 514 O SER A 36 3.753 1.633 1.726 1.00 12.11 O ATOM 515 CB SER A 36 6.760 2.431 1.360 1.00 31.20 C ATOM 516 OG SER A 36 8.041 2.098 0.859 1.00 61.54 O ATOM 0 H SER A 36 5.738 0.518 0.062 1.00 1.24 H new ATOM 0 HA SER A 36 6.699 0.867 2.838 1.00 33.41 H new ATOM 0 HB2 SER A 36 6.134 2.813 0.553 1.00 31.20 H new ATOM 0 HB3 SER A 36 6.847 3.227 2.100 1.00 31.20 H new ATOM 0 HG SER A 36 8.451 2.892 0.456 1.00 61.54 H new ATOM 521 N CYS A 37 4.587 1.789 3.812 1.00 52.01 N ATOM 522 CA CYS A 37 3.333 2.225 4.428 1.00 53.05 C ATOM 523 C CYS A 37 2.765 3.497 3.794 1.00 13.32 C ATOM 524 O CYS A 37 1.545 3.672 3.829 1.00 21.25 O ATOM 525 CB CYS A 37 3.491 2.474 5.927 1.00 54.31 C ATOM 526 SG CYS A 37 3.867 0.972 6.886 1.00 30.40 S ATOM 0 H CYS A 37 5.358 1.690 4.473 1.00 52.01 H new ATOM 0 HA CYS A 37 2.638 1.403 4.256 1.00 53.05 H new ATOM 0 HB2 CYS A 37 4.287 3.202 6.083 1.00 54.31 H new ATOM 0 HB3 CYS A 37 2.573 2.918 6.311 1.00 54.31 H new ATOM 0 HG CYS A 37 3.986 1.279 8.144 1.00 30.40 H new ATOM 531 N GLU A 38 3.612 4.379 3.246 1.00 1.32 N ATOM 532 CA GLU A 38 3.117 5.558 2.562 1.00 43.44 C ATOM 533 C GLU A 38 2.265 5.120 1.370 1.00 24.53 C ATOM 534 O GLU A 38 1.046 5.294 1.407 1.00 45.11 O ATOM 535 CB GLU A 38 4.245 6.520 2.154 1.00 52.02 C ATOM 536 CG GLU A 38 4.295 7.732 3.093 1.00 12.03 C ATOM 537 CD GLU A 38 4.501 7.304 4.548 1.00 11.33 C ATOM 538 OE1 GLU A 38 5.669 7.094 4.967 1.00 72.12 O ATOM 539 OE2 GLU A 38 3.479 7.040 5.229 1.00 45.12 O ATOM 0 H GLU A 38 4.628 4.292 3.267 1.00 1.32 H new ATOM 0 HA GLU A 38 2.494 6.128 3.251 1.00 43.44 H new ATOM 0 HB2 GLU A 38 5.201 5.997 2.177 1.00 52.02 H new ATOM 0 HB3 GLU A 38 4.090 6.855 1.128 1.00 52.02 H new ATOM 0 HG2 GLU A 38 5.104 8.396 2.790 1.00 12.03 H new ATOM 0 HG3 GLU A 38 3.368 8.299 3.007 1.00 12.03 H new ATOM 544 N LEU A 39 2.888 4.491 0.362 1.00 34.25 N ATOM 545 CA LEU A 39 2.248 4.048 -0.878 1.00 42.00 C ATOM 546 C LEU A 39 0.980 3.249 -0.579 1.00 63.42 C ATOM 547 O LEU A 39 -0.086 3.536 -1.123 1.00 4.05 O ATOM 548 CB LEU A 39 3.216 3.212 -1.724 1.00 1.31 C ATOM 549 CG LEU A 39 2.704 3.113 -3.181 1.00 21.15 C ATOM 550 CD1 LEU A 39 3.268 4.258 -4.027 1.00 74.41 C ATOM 551 CD2 LEU A 39 3.098 1.757 -3.756 1.00 74.52 C ATOM 0 H LEU A 39 3.884 4.271 0.392 1.00 34.25 H new ATOM 0 HA LEU A 39 1.971 4.935 -1.447 1.00 42.00 H new ATOM 0 HB2 LEU A 39 4.207 3.665 -1.709 1.00 1.31 H new ATOM 0 HB3 LEU A 39 3.315 2.214 -1.297 1.00 1.31 H new ATOM 0 HG LEU A 39 1.618 3.201 -3.195 1.00 21.15 H new ATOM 0 HD11 LEU A 39 2.897 4.172 -5.048 1.00 74.41 H new ATOM 0 HD12 LEU A 39 2.952 5.212 -3.605 1.00 74.41 H new ATOM 0 HD13 LEU A 39 4.357 4.206 -4.030 1.00 74.41 H new ATOM 0 HD21 LEU A 39 2.741 1.679 -4.783 1.00 74.52 H new ATOM 0 HD22 LEU A 39 4.183 1.657 -3.741 1.00 74.52 H new ATOM 0 HD23 LEU A 39 2.652 0.964 -3.156 1.00 74.52 H new ATOM 562 N LEU A 40 1.097 2.295 0.355 1.00 61.12 N ATOM 563 CA LEU A 40 0.023 1.383 0.740 1.00 44.31 C ATOM 564 C LEU A 40 -1.269 2.102 1.122 1.00 22.25 C ATOM 565 O LEU A 40 -2.343 1.522 0.963 1.00 21.42 O ATOM 566 CB LEU A 40 0.471 0.509 1.928 1.00 32.54 C ATOM 567 CG LEU A 40 1.439 -0.625 1.552 1.00 3.14 C ATOM 568 CD1 LEU A 40 2.029 -1.285 2.805 1.00 65.11 C ATOM 569 CD2 LEU A 40 0.739 -1.707 0.730 1.00 41.42 C ATOM 0 H LEU A 40 1.962 2.136 0.872 1.00 61.12 H new ATOM 0 HA LEU A 40 -0.185 0.771 -0.138 1.00 44.31 H new ATOM 0 HB2 LEU A 40 0.948 1.146 2.672 1.00 32.54 H new ATOM 0 HB3 LEU A 40 -0.412 0.076 2.398 1.00 32.54 H new ATOM 0 HG LEU A 40 2.234 -0.172 0.960 1.00 3.14 H new ATOM 0 HD11 LEU A 40 2.710 -2.083 2.509 1.00 65.11 H new ATOM 0 HD12 LEU A 40 2.573 -0.541 3.386 1.00 65.11 H new ATOM 0 HD13 LEU A 40 1.224 -1.701 3.411 1.00 65.11 H new ATOM 0 HD21 LEU A 40 1.452 -2.493 0.481 1.00 41.42 H new ATOM 0 HD22 LEU A 40 -0.081 -2.131 1.310 1.00 41.42 H new ATOM 0 HD23 LEU A 40 0.346 -1.270 -0.188 1.00 41.42 H new ATOM 580 N ARG A 41 -1.190 3.324 1.649 1.00 12.03 N ATOM 581 CA ARG A 41 -2.347 4.071 2.126 1.00 10.35 C ATOM 582 C ARG A 41 -2.689 5.221 1.187 1.00 53.30 C ATOM 583 O ARG A 41 -3.878 5.473 1.016 1.00 10.33 O ATOM 584 CB ARG A 41 -2.066 4.510 3.568 1.00 45.32 C ATOM 585 CG ARG A 41 -3.227 5.208 4.288 1.00 11.05 C ATOM 586 CD ARG A 41 -3.236 6.723 4.052 1.00 45.40 C ATOM 587 NE ARG A 41 -4.276 7.377 4.855 1.00 4.23 N ATOM 588 CZ ARG A 41 -4.170 7.831 6.106 1.00 2.44 C ATOM 589 NH1 ARG A 41 -3.045 7.683 6.797 1.00 71.51 N ATOM 590 NH2 ARG A 41 -5.205 8.437 6.659 1.00 74.21 N ATOM 0 H ARG A 41 -0.309 3.826 1.757 1.00 12.03 H new ATOM 0 HA ARG A 41 -3.239 3.445 2.130 1.00 10.35 H new ATOM 0 HB2 ARG A 41 -1.779 3.632 4.146 1.00 45.32 H new ATOM 0 HB3 ARG A 41 -1.208 5.183 3.563 1.00 45.32 H new ATOM 0 HG2 ARG A 41 -4.171 4.784 3.945 1.00 11.05 H new ATOM 0 HG3 ARG A 41 -3.159 5.010 5.358 1.00 11.05 H new ATOM 0 HD2 ARG A 41 -2.261 7.139 4.305 1.00 45.40 H new ATOM 0 HD3 ARG A 41 -3.405 6.928 2.995 1.00 45.40 H new ATOM 0 HE ARG A 41 -5.184 7.499 4.406 1.00 4.23 H new ATOM 0 HH11 ARG A 41 -2.244 7.216 6.373 1.00 71.51 H new ATOM 0 HH12 ARG A 41 -2.983 8.036 7.752 1.00 71.51 H new ATOM 0 HH21 ARG A 41 -6.070 8.553 6.131 1.00 74.21 H new ATOM 0 HH22 ARG A 41 -5.139 8.789 7.614 1.00 74.21 H new ATOM 601 N VAL A 42 -1.709 5.904 0.584 1.00 24.25 N ATOM 602 CA VAL A 42 -2.010 7.016 -0.318 1.00 41.01 C ATOM 603 C VAL A 42 -2.729 6.534 -1.579 1.00 64.23 C ATOM 604 O VAL A 42 -3.549 7.279 -2.093 1.00 54.33 O ATOM 605 CB VAL A 42 -0.770 7.874 -0.657 1.00 33.24 C ATOM 606 CG1 VAL A 42 -0.165 8.499 0.612 1.00 34.44 C ATOM 607 CG2 VAL A 42 0.305 7.095 -1.417 1.00 31.22 C ATOM 0 H VAL A 42 -0.715 5.708 0.703 1.00 24.25 H new ATOM 0 HA VAL A 42 -2.691 7.674 0.223 1.00 41.01 H new ATOM 0 HB VAL A 42 -1.124 8.667 -1.316 1.00 33.24 H new ATOM 0 HG11 VAL A 42 0.706 9.097 0.343 1.00 34.44 H new ATOM 0 HG12 VAL A 42 -0.908 9.135 1.094 1.00 34.44 H new ATOM 0 HG13 VAL A 42 0.136 7.708 1.299 1.00 34.44 H new ATOM 0 HG21 VAL A 42 1.150 7.751 -1.626 1.00 31.22 H new ATOM 0 HG22 VAL A 42 0.640 6.253 -0.812 1.00 31.22 H new ATOM 0 HG23 VAL A 42 -0.108 6.725 -2.355 1.00 31.22 H new ATOM 617 N TYR A 43 -2.451 5.319 -2.067 1.00 1.03 N ATOM 618 CA TYR A 43 -3.186 4.782 -3.207 1.00 21.35 C ATOM 619 C TYR A 43 -4.582 4.341 -2.763 1.00 11.42 C ATOM 620 O TYR A 43 -5.580 4.661 -3.395 1.00 23.43 O ATOM 621 CB TYR A 43 -2.413 3.607 -3.831 1.00 42.43 C ATOM 622 CG TYR A 43 -2.467 3.580 -5.345 1.00 50.21 C ATOM 623 CD1 TYR A 43 -1.629 4.446 -6.066 1.00 34.41 C ATOM 624 CD2 TYR A 43 -3.322 2.700 -6.036 1.00 51.04 C ATOM 625 CE1 TYR A 43 -1.611 4.420 -7.469 1.00 11.33 C ATOM 626 CE2 TYR A 43 -3.335 2.684 -7.444 1.00 23.42 C ATOM 627 CZ TYR A 43 -2.478 3.546 -8.163 1.00 61.43 C ATOM 628 OH TYR A 43 -2.468 3.526 -9.521 1.00 54.41 O ATOM 0 H TYR A 43 -1.732 4.700 -1.693 1.00 1.03 H new ATOM 0 HA TYR A 43 -3.292 5.559 -3.964 1.00 21.35 H new ATOM 0 HB2 TYR A 43 -1.371 3.659 -3.514 1.00 42.43 H new ATOM 0 HB3 TYR A 43 -2.817 2.671 -3.445 1.00 42.43 H new ATOM 0 HD1 TYR A 43 -0.992 5.139 -5.536 1.00 34.41 H new ATOM 0 HD2 TYR A 43 -3.970 2.035 -5.484 1.00 51.04 H new ATOM 0 HE1 TYR A 43 -0.938 5.064 -8.015 1.00 11.33 H new ATOM 0 HE2 TYR A 43 -3.998 2.015 -7.972 1.00 23.42 H new ATOM 0 HH TYR A 43 -3.121 2.870 -9.843 1.00 54.41 H new ATOM 637 N SER A 44 -4.668 3.616 -1.643 1.00 33.35 N ATOM 638 CA SER A 44 -5.780 2.721 -1.325 1.00 1.34 C ATOM 639 C SER A 44 -5.994 1.664 -2.449 1.00 5.22 C ATOM 640 O SER A 44 -5.435 1.746 -3.538 1.00 23.51 O ATOM 641 CB SER A 44 -6.982 3.614 -0.926 1.00 1.12 C ATOM 642 OG SER A 44 -8.281 3.105 -1.174 1.00 52.00 O ATOM 0 H SER A 44 -3.950 3.637 -0.919 1.00 33.35 H new ATOM 0 HA SER A 44 -5.588 2.078 -0.466 1.00 1.34 H new ATOM 0 HB2 SER A 44 -6.902 3.830 0.139 1.00 1.12 H new ATOM 0 HB3 SER A 44 -6.886 4.564 -1.452 1.00 1.12 H new ATOM 0 HG SER A 44 -8.950 3.757 -0.878 1.00 52.00 H new ATOM 647 N PRO A 45 -6.731 0.573 -2.182 1.00 24.14 N ATOM 648 CA PRO A 45 -7.154 -0.398 -3.193 1.00 13.13 C ATOM 649 C PRO A 45 -8.358 0.086 -4.008 1.00 25.42 C ATOM 650 O PRO A 45 -8.780 -0.593 -4.954 1.00 51.43 O ATOM 651 CB PRO A 45 -7.529 -1.645 -2.404 1.00 30.53 C ATOM 652 CG PRO A 45 -7.935 -1.117 -1.041 1.00 10.41 C ATOM 653 CD PRO A 45 -7.186 0.189 -0.866 1.00 50.12 C ATOM 0 HA PRO A 45 -6.358 -0.569 -3.918 1.00 13.13 H new ATOM 0 HB2 PRO A 45 -8.346 -2.187 -2.880 1.00 30.53 H new ATOM 0 HB3 PRO A 45 -6.689 -2.336 -2.329 1.00 30.53 H new ATOM 0 HG2 PRO A 45 -9.012 -0.960 -0.987 1.00 10.41 H new ATOM 0 HG3 PRO A 45 -7.676 -1.825 -0.254 1.00 10.41 H new ATOM 0 HD2 PRO A 45 -7.834 0.955 -0.439 1.00 50.12 H new ATOM 0 HD3 PRO A 45 -6.345 0.067 -0.184 1.00 50.12 H new ATOM 658 N SER A 46 -8.919 1.229 -3.637 1.00 74.42 N ATOM 659 CA SER A 46 -10.021 1.926 -4.269 1.00 4.21 C ATOM 660 C SER A 46 -9.432 3.172 -4.936 1.00 43.33 C ATOM 661 O SER A 46 -8.284 3.138 -5.372 1.00 45.03 O ATOM 662 CB SER A 46 -11.110 2.185 -3.216 1.00 30.23 C ATOM 663 OG SER A 46 -12.293 2.644 -3.842 1.00 1.12 O ATOM 0 H SER A 46 -8.583 1.732 -2.816 1.00 74.42 H new ATOM 0 HA SER A 46 -10.519 1.354 -5.052 1.00 4.21 H new ATOM 0 HB2 SER A 46 -11.315 1.270 -2.661 1.00 30.23 H new ATOM 0 HB3 SER A 46 -10.761 2.924 -2.495 1.00 30.23 H new ATOM 0 HG SER A 46 -12.981 2.804 -3.163 1.00 1.12 H new ATOM 668 N ALA A 47 -10.255 4.211 -5.091 1.00 5.05 N ATOM 669 CA ALA A 47 -10.052 5.574 -5.543 1.00 42.02 C ATOM 670 C ALA A 47 -9.881 5.601 -7.048 1.00 64.10 C ATOM 671 O ALA A 47 -10.698 6.174 -7.769 1.00 74.24 O ATOM 672 CB ALA A 47 -8.902 6.240 -4.785 1.00 65.54 C ATOM 0 H ALA A 47 -11.240 4.081 -4.861 1.00 5.05 H new ATOM 0 HA ALA A 47 -10.937 6.168 -5.315 1.00 42.02 H new ATOM 0 HB1 ALA A 47 -8.772 7.261 -5.144 1.00 65.54 H new ATOM 0 HB2 ALA A 47 -9.130 6.257 -3.719 1.00 65.54 H new ATOM 0 HB3 ALA A 47 -7.983 5.678 -4.951 1.00 65.54 H new ATOM 678 N GLU A 48 -8.839 4.925 -7.488 1.00 54.01 N ATOM 679 CA GLU A 48 -8.315 4.891 -8.841 1.00 14.12 C ATOM 680 C GLU A 48 -9.196 3.983 -9.700 1.00 73.44 C ATOM 681 O GLU A 48 -8.814 2.880 -10.096 1.00 10.02 O ATOM 682 CB GLU A 48 -6.838 4.468 -8.798 1.00 43.22 C ATOM 683 CG GLU A 48 -5.915 5.657 -8.493 1.00 74.32 C ATOM 684 CD GLU A 48 -6.196 6.370 -7.167 1.00 13.02 C ATOM 685 OE1 GLU A 48 -6.133 5.717 -6.117 1.00 62.34 O ATOM 686 OE2 GLU A 48 -6.450 7.599 -7.165 1.00 63.32 O ATOM 0 H GLU A 48 -8.292 4.338 -6.859 1.00 54.01 H new ATOM 0 HA GLU A 48 -8.343 5.877 -9.306 1.00 14.12 H new ATOM 0 HB2 GLU A 48 -6.702 3.698 -8.039 1.00 43.22 H new ATOM 0 HB3 GLU A 48 -6.558 4.026 -9.754 1.00 43.22 H new ATOM 0 HG2 GLU A 48 -4.883 5.305 -8.488 1.00 74.32 H new ATOM 0 HG3 GLU A 48 -6.000 6.381 -9.303 1.00 74.32 H new ATOM 691 N VAL A 49 -10.421 4.432 -9.947 1.00 52.40 N ATOM 692 CA VAL A 49 -11.452 3.696 -10.669 1.00 30.12 C ATOM 693 C VAL A 49 -11.589 4.264 -12.091 1.00 32.15 C ATOM 694 O VAL A 49 -11.963 3.525 -12.999 1.00 32.35 O ATOM 695 CB VAL A 49 -12.758 3.707 -9.837 1.00 2.05 C ATOM 696 CG1 VAL A 49 -13.897 2.933 -10.517 1.00 70.23 C ATOM 697 CG2 VAL A 49 -12.546 3.089 -8.441 1.00 43.24 C ATOM 0 H VAL A 49 -10.735 5.352 -9.639 1.00 52.40 H new ATOM 0 HA VAL A 49 -11.184 2.647 -10.797 1.00 30.12 H new ATOM 0 HB VAL A 49 -13.034 4.758 -9.751 1.00 2.05 H new ATOM 0 HG11 VAL A 49 -14.788 2.973 -9.891 1.00 70.23 H new ATOM 0 HG12 VAL A 49 -14.114 3.382 -11.486 1.00 70.23 H new ATOM 0 HG13 VAL A 49 -13.598 1.894 -10.657 1.00 70.23 H new ATOM 0 HG21 VAL A 49 -13.484 3.114 -7.886 1.00 43.24 H new ATOM 0 HG22 VAL A 49 -12.214 2.056 -8.547 1.00 43.24 H new ATOM 0 HG23 VAL A 49 -11.790 3.659 -7.902 1.00 43.24 H new ATOM 707 N HIS A 50 -11.202 5.525 -12.322 1.00 34.45 N ATOM 708 CA HIS A 50 -11.242 6.231 -13.607 1.00 22.45 C ATOM 709 C HIS A 50 -12.597 6.119 -14.343 1.00 62.32 C ATOM 710 O HIS A 50 -12.648 6.255 -15.570 1.00 13.32 O ATOM 711 CB HIS A 50 -10.044 5.794 -14.476 1.00 4.43 C ATOM 712 CG HIS A 50 -9.619 6.817 -15.505 1.00 42.14 C ATOM 713 ND1 HIS A 50 -9.604 6.636 -16.872 1.00 3.44 N ATOM 714 CD2 HIS A 50 -9.150 8.081 -15.252 1.00 33.32 C ATOM 715 CE1 HIS A 50 -9.154 7.768 -17.435 1.00 10.15 C ATOM 716 NE2 HIS A 50 -8.870 8.684 -16.488 1.00 24.42 N ATOM 0 H HIS A 50 -10.832 6.112 -11.574 1.00 34.45 H new ATOM 0 HA HIS A 50 -11.149 7.297 -13.399 1.00 22.45 H new ATOM 0 HB2 HIS A 50 -9.197 5.577 -13.825 1.00 4.43 H new ATOM 0 HB3 HIS A 50 -10.300 4.866 -14.987 1.00 4.43 H new ATOM 0 HD2 HIS A 50 -9.020 8.530 -14.279 1.00 33.32 H new ATOM 0 HE1 HIS A 50 -9.036 7.923 -18.497 1.00 10.15 H new ATOM 0 HE2 HIS A 50 -8.520 9.630 -16.640 1.00 24.42 H new ATOM 723 N GLY A 51 -13.695 5.865 -13.628 1.00 25.53 N ATOM 724 CA GLY A 51 -14.995 5.532 -14.188 1.00 50.40 C ATOM 725 C GLY A 51 -16.081 5.803 -13.160 1.00 2.11 C ATOM 726 O GLY A 51 -16.440 6.962 -12.955 1.00 24.42 O ATOM 0 H GLY A 51 -13.698 5.888 -12.608 1.00 25.53 H new ATOM 0 HA2 GLY A 51 -15.176 6.122 -15.087 1.00 50.40 H new ATOM 0 HA3 GLY A 51 -15.016 4.484 -14.485 1.00 50.40 H new ATOM 730 N HIS A 52 -16.559 4.760 -12.471 1.00 34.55 N ATOM 731 CA HIS A 52 -17.569 4.868 -11.407 1.00 65.40 C ATOM 732 C HIS A 52 -17.138 5.792 -10.266 1.00 44.41 C ATOM 733 O HIS A 52 -17.981 6.306 -9.529 1.00 23.45 O ATOM 734 CB HIS A 52 -17.889 3.476 -10.849 1.00 43.14 C ATOM 735 CG HIS A 52 -18.876 2.682 -11.674 1.00 74.14 C ATOM 736 ND1 HIS A 52 -19.503 1.521 -11.276 1.00 53.30 N ATOM 737 CD2 HIS A 52 -19.254 2.926 -12.971 1.00 24.44 C ATOM 738 CE1 HIS A 52 -20.245 1.074 -12.300 1.00 74.53 C ATOM 739 NE2 HIS A 52 -20.097 1.882 -13.364 1.00 73.20 N ATOM 0 H HIS A 52 -16.251 3.802 -12.638 1.00 34.55 H new ATOM 0 HA HIS A 52 -18.457 5.309 -11.859 1.00 65.40 H new ATOM 0 HB2 HIS A 52 -16.962 2.908 -10.769 1.00 43.14 H new ATOM 0 HB3 HIS A 52 -18.284 3.585 -9.839 1.00 43.14 H new ATOM 0 HD2 HIS A 52 -18.955 3.769 -13.576 1.00 24.44 H new ATOM 0 HE1 HIS A 52 -20.870 0.194 -12.274 1.00 74.53 H new ATOM 0 HE2 HIS A 52 -20.520 1.757 -14.284 1.00 73.20 H new ATOM 746 N GLY A 53 -15.842 6.050 -10.150 1.00 52.14 N ATOM 747 CA GLY A 53 -15.340 7.223 -9.489 1.00 53.04 C ATOM 748 C GLY A 53 -14.092 7.685 -10.215 1.00 1.34 C ATOM 749 O GLY A 53 -13.490 6.915 -10.970 1.00 25.24 O ATOM 0 H GLY A 53 -15.113 5.439 -10.519 1.00 52.14 H new ATOM 0 HA2 GLY A 53 -16.093 8.011 -9.491 1.00 53.04 H new ATOM 0 HA3 GLY A 53 -15.112 7.002 -8.446 1.00 53.04 H new ATOM 753 N ASN A 54 -13.724 8.943 -10.000 1.00 23.22 N ATOM 754 CA ASN A 54 -12.438 9.485 -10.420 1.00 13.13 C ATOM 755 C ASN A 54 -11.405 9.236 -9.322 1.00 2.14 C ATOM 756 O ASN A 54 -11.784 9.100 -8.150 1.00 53.14 O ATOM 757 CB ASN A 54 -12.529 10.985 -10.761 1.00 54.10 C ATOM 758 CG ASN A 54 -13.181 11.828 -9.680 1.00 64.20 C ATOM 759 OD1 ASN A 54 -12.513 12.409 -8.838 1.00 13.03 O ATOM 760 ND2 ASN A 54 -14.495 11.969 -9.712 1.00 1.25 N ATOM 0 H ASN A 54 -14.317 9.622 -9.524 1.00 23.22 H new ATOM 0 HA ASN A 54 -12.130 8.975 -11.333 1.00 13.13 H new ATOM 0 HB2 ASN A 54 -11.525 11.366 -10.947 1.00 54.10 H new ATOM 0 HB3 ASN A 54 -13.092 11.103 -11.687 1.00 54.10 H new ATOM 0 HD21 ASN A 54 -14.960 12.567 -9.030 1.00 1.25 H new ATOM 0 HD22 ASN A 54 -15.043 11.479 -10.419 1.00 1.25 H new ATOM 766 N PRO A 55 -10.110 9.190 -9.687 1.00 33.52 N ATOM 767 CA PRO A 55 -9.027 9.079 -8.726 1.00 4.04 C ATOM 768 C PRO A 55 -9.013 10.290 -7.799 1.00 21.23 C ATOM 769 O PRO A 55 -9.549 11.351 -8.134 1.00 5.43 O ATOM 770 CB PRO A 55 -7.744 8.981 -9.556 1.00 30.52 C ATOM 771 CG PRO A 55 -8.101 9.639 -10.882 1.00 2.23 C ATOM 772 CD PRO A 55 -9.578 9.301 -11.040 1.00 5.33 C ATOM 0 HA PRO A 55 -9.137 8.207 -8.081 1.00 4.04 H new ATOM 0 HB2 PRO A 55 -6.915 9.494 -9.068 1.00 30.52 H new ATOM 0 HB3 PRO A 55 -7.439 7.944 -9.696 1.00 30.52 H new ATOM 0 HG2 PRO A 55 -7.933 10.716 -10.857 1.00 2.23 H new ATOM 0 HG3 PRO A 55 -7.505 9.242 -11.704 1.00 2.23 H new ATOM 0 HD2 PRO A 55 -10.098 10.077 -11.602 1.00 5.33 H new ATOM 0 HD3 PRO A 55 -9.709 8.368 -11.589 1.00 5.33 H new ATOM 777 N VAL A 56 -8.346 10.153 -6.659 1.00 51.40 N ATOM 778 CA VAL A 56 -8.167 11.245 -5.709 1.00 11.45 C ATOM 779 C VAL A 56 -6.674 11.551 -5.617 1.00 50.23 C ATOM 780 O VAL A 56 -5.860 11.024 -6.384 1.00 1.04 O ATOM 781 CB VAL A 56 -8.865 10.942 -4.364 1.00 53.20 C ATOM 782 CG1 VAL A 56 -10.365 10.667 -4.546 1.00 22.41 C ATOM 783 CG2 VAL A 56 -8.225 9.767 -3.624 1.00 44.22 C ATOM 0 H VAL A 56 -7.912 9.278 -6.366 1.00 51.40 H new ATOM 0 HA VAL A 56 -8.660 12.155 -6.050 1.00 11.45 H new ATOM 0 HB VAL A 56 -8.738 11.841 -3.760 1.00 53.20 H new ATOM 0 HG11 VAL A 56 -10.817 10.459 -3.576 1.00 22.41 H new ATOM 0 HG12 VAL A 56 -10.844 11.540 -4.989 1.00 22.41 H new ATOM 0 HG13 VAL A 56 -10.500 9.807 -5.202 1.00 22.41 H new ATOM 0 HG21 VAL A 56 -8.753 9.597 -2.686 1.00 44.22 H new ATOM 0 HG22 VAL A 56 -8.285 8.871 -4.242 1.00 44.22 H new ATOM 0 HG23 VAL A 56 -7.180 9.994 -3.415 1.00 44.22 H new ATOM 793 N LEU A 57 -6.292 12.432 -4.703 1.00 65.24 N ATOM 794 CA LEU A 57 -4.906 12.757 -4.435 1.00 50.03 C ATOM 795 C LEU A 57 -4.791 12.768 -2.920 1.00 41.04 C ATOM 796 O LEU A 57 -5.495 13.536 -2.266 1.00 64.42 O ATOM 797 CB LEU A 57 -4.596 14.106 -5.110 1.00 32.53 C ATOM 798 CG LEU A 57 -3.130 14.419 -5.453 1.00 22.12 C ATOM 799 CD1 LEU A 57 -2.167 14.475 -4.268 1.00 42.33 C ATOM 800 CD2 LEU A 57 -2.579 13.441 -6.492 1.00 34.24 C ATOM 0 H LEU A 57 -6.951 12.947 -4.119 1.00 65.24 H new ATOM 0 HA LEU A 57 -4.178 12.051 -4.835 1.00 50.03 H new ATOM 0 HB2 LEU A 57 -5.174 14.159 -6.033 1.00 32.53 H new ATOM 0 HB3 LEU A 57 -4.963 14.898 -4.458 1.00 32.53 H new ATOM 0 HG LEU A 57 -3.177 15.431 -5.854 1.00 22.12 H new ATOM 0 HD11 LEU A 57 -1.163 14.702 -4.626 1.00 42.33 H new ATOM 0 HD12 LEU A 57 -2.489 15.251 -3.574 1.00 42.33 H new ATOM 0 HD13 LEU A 57 -2.161 13.512 -3.758 1.00 42.33 H new ATOM 0 HD21 LEU A 57 -1.541 13.690 -6.712 1.00 34.24 H new ATOM 0 HD22 LEU A 57 -2.633 12.425 -6.100 1.00 34.24 H new ATOM 0 HD23 LEU A 57 -3.170 13.509 -7.405 1.00 34.24 H new ATOM 811 N VAL A 58 -3.981 11.879 -2.351 1.00 64.10 N ATOM 812 CA VAL A 58 -3.743 11.811 -0.909 1.00 62.42 C ATOM 813 C VAL A 58 -2.391 12.482 -0.656 1.00 30.25 C ATOM 814 O VAL A 58 -1.517 12.459 -1.525 1.00 3.23 O ATOM 815 CB VAL A 58 -3.782 10.343 -0.421 1.00 11.22 C ATOM 816 CG1 VAL A 58 -3.712 10.242 1.111 1.00 44.14 C ATOM 817 CG2 VAL A 58 -5.066 9.621 -0.840 1.00 71.41 C ATOM 0 H VAL A 58 -3.465 11.178 -2.882 1.00 64.10 H new ATOM 0 HA VAL A 58 -4.519 12.329 -0.345 1.00 62.42 H new ATOM 0 HB VAL A 58 -2.912 9.877 -0.883 1.00 11.22 H new ATOM 0 HG11 VAL A 58 -3.742 9.194 1.408 1.00 44.14 H new ATOM 0 HG12 VAL A 58 -2.784 10.692 1.463 1.00 44.14 H new ATOM 0 HG13 VAL A 58 -4.560 10.768 1.549 1.00 44.14 H new ATOM 0 HG21 VAL A 58 -5.043 8.595 -0.473 1.00 71.41 H new ATOM 0 HG22 VAL A 58 -5.928 10.138 -0.419 1.00 71.41 H new ATOM 0 HG23 VAL A 58 -5.142 9.615 -1.927 1.00 71.41 H new ATOM 827 N THR A 59 -2.203 13.076 0.521 1.00 14.05 N ATOM 828 CA THR A 59 -0.930 13.696 0.902 1.00 74.44 C ATOM 829 C THR A 59 -0.001 12.668 1.557 1.00 51.21 C ATOM 830 O THR A 59 -0.489 11.666 2.094 1.00 45.22 O ATOM 831 CB THR A 59 -1.168 14.912 1.813 1.00 41.41 C ATOM 832 OG1 THR A 59 -1.935 14.615 2.966 1.00 41.40 O ATOM 833 CG2 THR A 59 -1.879 16.024 1.050 1.00 5.35 C ATOM 0 H THR A 59 -2.926 13.142 1.238 1.00 14.05 H new ATOM 0 HA THR A 59 -0.435 14.056 -0.000 1.00 74.44 H new ATOM 0 HB THR A 59 -0.176 15.227 2.137 1.00 41.41 H new ATOM 0 HG1 THR A 59 -2.048 15.428 3.502 1.00 41.40 H new ATOM 0 HG21 THR A 59 -2.038 16.875 1.712 1.00 5.35 H new ATOM 0 HG22 THR A 59 -1.267 16.333 0.203 1.00 5.35 H new ATOM 0 HG23 THR A 59 -2.841 15.660 0.689 1.00 5.35 H new ATOM 841 N HIS A 60 1.313 12.954 1.594 1.00 61.31 N ATOM 842 CA HIS A 60 2.288 12.156 2.345 1.00 31.44 C ATOM 843 C HIS A 60 1.793 11.985 3.788 1.00 63.51 C ATOM 844 O HIS A 60 1.086 12.858 4.310 1.00 62.32 O ATOM 845 CB HIS A 60 3.668 12.830 2.430 1.00 61.54 C ATOM 846 CG HIS A 60 4.390 13.272 1.182 1.00 31.31 C ATOM 847 ND1 HIS A 60 5.612 13.903 1.204 1.00 13.23 N ATOM 848 CD2 HIS A 60 4.034 13.107 -0.129 1.00 43.21 C ATOM 849 CE1 HIS A 60 6.005 14.090 -0.066 1.00 34.34 C ATOM 850 NE2 HIS A 60 5.062 13.644 -0.911 1.00 50.13 N ATOM 0 H HIS A 60 1.725 13.747 1.102 1.00 61.31 H new ATOM 0 HA HIS A 60 2.386 11.207 1.818 1.00 31.44 H new ATOM 0 HB2 HIS A 60 3.556 13.710 3.064 1.00 61.54 H new ATOM 0 HB3 HIS A 60 4.329 12.141 2.955 1.00 61.54 H new ATOM 0 HD1 HIS A 60 6.129 14.180 2.039 1.00 13.23 H new ATOM 0 HD2 HIS A 60 3.127 12.647 -0.493 1.00 43.21 H new ATOM 0 HE1 HIS A 60 6.943 14.534 -0.364 1.00 34.34 H new ATOM 857 N LYS A 61 2.197 10.917 4.478 1.00 31.23 N ATOM 858 CA LYS A 61 1.869 10.708 5.885 1.00 41.42 C ATOM 859 C LYS A 61 3.180 10.730 6.639 1.00 62.13 C ATOM 860 O LYS A 61 4.103 10.017 6.266 1.00 32.21 O ATOM 861 CB LYS A 61 1.119 9.385 6.084 1.00 52.12 C ATOM 862 CG LYS A 61 -0.107 9.508 7.009 1.00 13.01 C ATOM 863 CD LYS A 61 -1.154 10.569 6.593 1.00 54.41 C ATOM 864 CE LYS A 61 -1.228 10.720 5.071 1.00 14.32 C ATOM 865 NZ LYS A 61 -2.306 11.609 4.603 1.00 34.54 N ATOM 0 H LYS A 61 2.763 10.171 4.073 1.00 31.23 H new ATOM 0 HA LYS A 61 1.203 11.487 6.256 1.00 41.42 H new ATOM 0 HB2 LYS A 61 0.796 9.010 5.113 1.00 52.12 H new ATOM 0 HB3 LYS A 61 1.805 8.646 6.499 1.00 52.12 H new ATOM 0 HG2 LYS A 61 -0.600 8.537 7.060 1.00 13.01 H new ATOM 0 HG3 LYS A 61 0.241 9.742 8.015 1.00 13.01 H new ATOM 0 HD2 LYS A 61 -2.133 10.286 6.979 1.00 54.41 H new ATOM 0 HD3 LYS A 61 -0.899 11.529 7.043 1.00 54.41 H new ATOM 0 HE2 LYS A 61 -0.274 11.103 4.708 1.00 14.32 H new ATOM 0 HE3 LYS A 61 -1.366 9.735 4.626 1.00 14.32 H new ATOM 0 HZ1 LYS A 61 -2.088 11.943 3.643 1.00 34.54 H new ATOM 0 HZ2 LYS A 61 -3.206 11.088 4.592 1.00 34.54 H new ATOM 0 HZ3 LYS A 61 -2.386 12.425 5.243 1.00 34.54 H new ATOM 875 N LYS A 62 3.214 11.551 7.684 1.00 43.43 N ATOM 876 CA LYS A 62 4.350 11.779 8.560 1.00 63.54 C ATOM 877 C LYS A 62 5.024 10.457 8.947 1.00 70.54 C ATOM 878 O LYS A 62 6.198 10.240 8.651 1.00 54.42 O ATOM 879 CB LYS A 62 3.915 12.641 9.772 1.00 11.10 C ATOM 880 CG LYS A 62 2.514 12.314 10.335 1.00 41.03 C ATOM 881 CD LYS A 62 1.359 13.159 9.764 1.00 25.43 C ATOM 882 CE LYS A 62 0.069 12.339 9.550 1.00 51.14 C ATOM 883 NZ LYS A 62 -0.453 11.717 10.790 1.00 64.54 N ATOM 0 H LYS A 62 2.401 12.105 7.954 1.00 43.43 H new ATOM 0 HA LYS A 62 5.115 12.347 8.031 1.00 63.54 H new ATOM 0 HB2 LYS A 62 4.648 12.517 10.569 1.00 11.10 H new ATOM 0 HB3 LYS A 62 3.937 13.691 9.479 1.00 11.10 H new ATOM 0 HG2 LYS A 62 2.301 11.262 10.145 1.00 41.03 H new ATOM 0 HG3 LYS A 62 2.536 12.444 11.417 1.00 41.03 H new ATOM 0 HD2 LYS A 62 1.150 13.986 10.442 1.00 25.43 H new ATOM 0 HD3 LYS A 62 1.669 13.595 8.814 1.00 25.43 H new ATOM 0 HE2 LYS A 62 -0.698 12.988 9.129 1.00 51.14 H new ATOM 0 HE3 LYS A 62 0.263 11.557 8.816 1.00 51.14 H new ATOM 0 HZ1 LYS A 62 -1.319 11.183 10.573 1.00 64.54 H new ATOM 0 HZ2 LYS A 62 0.262 11.072 11.183 1.00 64.54 H new ATOM 0 HZ3 LYS A 62 -0.670 12.459 11.486 1.00 64.54 H new ATOM 893 N ASN A 63 4.304 9.589 9.651 1.00 3.13 N ATOM 894 CA ASN A 63 4.828 8.362 10.242 1.00 13.00 C ATOM 895 C ASN A 63 3.614 7.520 10.637 1.00 41.14 C ATOM 896 O ASN A 63 3.225 7.491 11.808 1.00 25.43 O ATOM 897 CB ASN A 63 5.796 8.653 11.425 1.00 11.32 C ATOM 898 CG ASN A 63 5.646 10.044 12.050 1.00 14.42 C ATOM 899 OD1 ASN A 63 4.627 10.375 12.649 1.00 2.40 O ATOM 900 ND2 ASN A 63 6.619 10.915 11.837 1.00 45.35 N ATOM 0 H ASN A 63 3.309 9.724 9.832 1.00 3.13 H new ATOM 0 HA ASN A 63 5.443 7.809 9.532 1.00 13.00 H new ATOM 0 HB2 ASN A 63 5.637 7.903 12.200 1.00 11.32 H new ATOM 0 HB3 ASN A 63 6.821 8.536 11.074 1.00 11.32 H new ATOM 0 HD21 ASN A 63 6.527 11.874 12.172 1.00 45.35 H new ATOM 0 HD22 ASN A 63 7.461 10.627 11.338 1.00 45.35 H new ATOM 906 N VAL A 64 2.948 6.902 9.655 1.00 12.31 N ATOM 907 CA VAL A 64 1.821 6.008 9.901 1.00 2.20 C ATOM 908 C VAL A 64 2.376 4.686 10.444 1.00 52.21 C ATOM 909 O VAL A 64 3.526 4.324 10.174 1.00 41.24 O ATOM 910 CB VAL A 64 1.041 5.817 8.577 1.00 53.14 C ATOM 911 CG1 VAL A 64 1.550 4.713 7.650 1.00 21.41 C ATOM 912 CG2 VAL A 64 -0.453 5.660 8.838 1.00 61.32 C ATOM 0 H VAL A 64 3.179 7.011 8.667 1.00 12.31 H new ATOM 0 HA VAL A 64 1.128 6.418 10.636 1.00 2.20 H new ATOM 0 HB VAL A 64 1.229 6.738 8.026 1.00 53.14 H new ATOM 0 HG11 VAL A 64 0.927 4.672 6.756 1.00 21.41 H new ATOM 0 HG12 VAL A 64 2.581 4.924 7.365 1.00 21.41 H new ATOM 0 HG13 VAL A 64 1.505 3.754 8.167 1.00 21.41 H new ATOM 0 HG21 VAL A 64 -0.976 5.528 7.891 1.00 61.32 H new ATOM 0 HG22 VAL A 64 -0.622 4.789 9.471 1.00 61.32 H new ATOM 0 HG23 VAL A 64 -0.830 6.551 9.339 1.00 61.32 H new ATOM 922 N ASN A 65 1.550 3.887 11.115 1.00 24.30 N ATOM 923 CA ASN A 65 1.897 2.498 11.402 1.00 3.34 C ATOM 924 C ASN A 65 0.674 1.614 11.231 1.00 72.33 C ATOM 925 O ASN A 65 -0.456 2.090 11.283 1.00 10.23 O ATOM 926 CB ASN A 65 2.499 2.382 12.808 1.00 71.44 C ATOM 927 CG ASN A 65 3.952 2.841 12.828 1.00 64.12 C ATOM 928 OD1 ASN A 65 4.288 3.825 13.472 1.00 31.20 O ATOM 929 ND2 ASN A 65 4.866 2.138 12.172 1.00 44.03 N ATOM 0 H ASN A 65 0.638 4.177 11.469 1.00 24.30 H new ATOM 0 HA ASN A 65 2.654 2.157 10.695 1.00 3.34 H new ATOM 0 HB2 ASN A 65 1.916 2.983 13.506 1.00 71.44 H new ATOM 0 HB3 ASN A 65 2.437 1.348 13.148 1.00 71.44 H new ATOM 0 HD21 ASN A 65 5.846 2.419 12.206 1.00 44.03 H new ATOM 0 HD22 ASN A 65 4.589 1.317 11.634 1.00 44.03 H new ATOM 935 N ILE A 66 0.898 0.318 11.015 1.00 71.43 N ATOM 936 CA ILE A 66 -0.184 -0.650 10.872 1.00 51.01 C ATOM 937 C ILE A 66 -0.541 -1.129 12.272 1.00 32.50 C ATOM 938 O ILE A 66 0.352 -1.555 13.013 1.00 52.05 O ATOM 939 CB ILE A 66 0.204 -1.774 9.882 1.00 11.23 C ATOM 940 CG1 ILE A 66 0.265 -1.117 8.482 1.00 22.23 C ATOM 941 CG2 ILE A 66 -0.794 -2.943 9.913 1.00 63.51 C ATOM 942 CD1 ILE A 66 0.350 -2.082 7.306 1.00 1.23 C ATOM 0 H ILE A 66 1.831 -0.087 10.935 1.00 71.43 H new ATOM 0 HA ILE A 66 -1.075 -0.206 10.428 1.00 51.01 H new ATOM 0 HB ILE A 66 1.165 -2.210 10.155 1.00 11.23 H new ATOM 0 HG12 ILE A 66 -0.620 -0.493 8.354 1.00 22.23 H new ATOM 0 HG13 ILE A 66 1.130 -0.454 8.449 1.00 22.23 H new ATOM 0 HG21 ILE A 66 -0.481 -3.708 9.202 1.00 63.51 H new ATOM 0 HG22 ILE A 66 -0.823 -3.370 10.916 1.00 63.51 H new ATOM 0 HG23 ILE A 66 -1.786 -2.582 9.643 1.00 63.51 H new ATOM 0 HD11 ILE A 66 0.388 -1.518 6.374 1.00 1.23 H new ATOM 0 HD12 ILE A 66 1.250 -2.690 7.399 1.00 1.23 H new ATOM 0 HD13 ILE A 66 -0.527 -2.730 7.303 1.00 1.23 H new ATOM 953 N ASN A 67 -1.823 -1.057 12.644 1.00 51.04 N ATOM 954 CA ASN A 67 -2.265 -1.456 13.968 1.00 32.30 C ATOM 955 C ASN A 67 -2.294 -2.976 14.068 1.00 4.23 C ATOM 956 O ASN A 67 -2.030 -3.518 15.142 1.00 53.41 O ATOM 957 CB ASN A 67 -3.662 -0.882 14.245 1.00 72.34 C ATOM 958 CG ASN A 67 -3.824 -0.505 15.704 1.00 72.14 C ATOM 959 OD1 ASN A 67 -4.360 -1.257 16.517 1.00 4.24 O ATOM 960 ND2 ASN A 67 -3.329 0.670 16.045 1.00 72.53 N ATOM 0 H ASN A 67 -2.571 -0.723 12.036 1.00 51.04 H new ATOM 0 HA ASN A 67 -1.569 -1.067 14.711 1.00 32.30 H new ATOM 0 HB2 ASN A 67 -3.827 -0.004 13.620 1.00 72.34 H new ATOM 0 HB3 ASN A 67 -4.420 -1.616 13.971 1.00 72.34 H new ATOM 0 HD21 ASN A 67 -3.383 0.984 17.014 1.00 72.53 H new ATOM 0 HD22 ASN A 67 -2.892 1.264 15.340 1.00 72.53 H new ATOM 966 N ALA A 68 -2.627 -3.652 12.961 1.00 12.03 N ATOM 967 CA ALA A 68 -2.892 -5.077 12.868 1.00 63.41 C ATOM 968 C ALA A 68 -3.151 -5.436 11.403 1.00 43.24 C ATOM 969 O ALA A 68 -3.354 -4.562 10.557 1.00 2.32 O ATOM 970 CB ALA A 68 -4.130 -5.440 13.703 1.00 24.11 C ATOM 0 H ALA A 68 -2.722 -3.184 12.060 1.00 12.03 H new ATOM 0 HA ALA A 68 -2.033 -5.630 13.247 1.00 63.41 H new ATOM 0 HB1 ALA A 68 -4.320 -6.511 13.626 1.00 24.11 H new ATOM 0 HB2 ALA A 68 -3.955 -5.176 14.746 1.00 24.11 H new ATOM 0 HB3 ALA A 68 -4.994 -4.891 13.330 1.00 24.11 H new ATOM 976 N ILE A 69 -3.209 -6.732 11.120 1.00 23.41 N ATOM 977 CA ILE A 69 -3.516 -7.318 9.825 1.00 14.35 C ATOM 978 C ILE A 69 -4.631 -8.313 10.099 1.00 24.23 C ATOM 979 O ILE A 69 -4.496 -9.164 10.985 1.00 23.11 O ATOM 980 CB ILE A 69 -2.265 -8.022 9.257 1.00 12.14 C ATOM 981 CG1 ILE A 69 -1.113 -7.013 9.019 1.00 25.20 C ATOM 982 CG2 ILE A 69 -2.583 -8.790 7.961 1.00 72.51 C ATOM 983 CD1 ILE A 69 0.263 -7.670 8.853 1.00 23.10 C ATOM 0 H ILE A 69 -3.032 -7.441 11.831 1.00 23.41 H new ATOM 0 HA ILE A 69 -3.818 -6.575 9.087 1.00 14.35 H new ATOM 0 HB ILE A 69 -1.939 -8.746 10.004 1.00 12.14 H new ATOM 0 HG12 ILE A 69 -1.335 -6.427 8.127 1.00 25.20 H new ATOM 0 HG13 ILE A 69 -1.074 -6.317 9.857 1.00 25.20 H new ATOM 0 HG21 ILE A 69 -1.678 -9.272 7.592 1.00 72.51 H new ATOM 0 HG22 ILE A 69 -3.340 -9.547 8.163 1.00 72.51 H new ATOM 0 HG23 ILE A 69 -2.957 -8.095 7.209 1.00 72.51 H new ATOM 0 HD11 ILE A 69 1.017 -6.900 8.690 1.00 23.10 H new ATOM 0 HD12 ILE A 69 0.508 -8.233 9.753 1.00 23.10 H new ATOM 0 HD13 ILE A 69 0.243 -8.345 7.997 1.00 23.10 H new ATOM 994 N THR A 70 -5.700 -8.241 9.314 1.00 25.22 N ATOM 995 CA THR A 70 -6.822 -9.149 9.450 1.00 41.00 C ATOM 996 C THR A 70 -7.108 -9.751 8.076 1.00 42.32 C ATOM 997 O THR A 70 -7.364 -8.996 7.142 1.00 4.21 O ATOM 998 CB THR A 70 -8.038 -8.376 9.989 1.00 12.43 C ATOM 999 OG1 THR A 70 -7.724 -7.587 11.126 1.00 70.41 O ATOM 1000 CG2 THR A 70 -9.203 -9.307 10.303 1.00 70.32 C ATOM 0 H THR A 70 -5.809 -7.553 8.569 1.00 25.22 H new ATOM 0 HA THR A 70 -6.599 -9.952 10.153 1.00 41.00 H new ATOM 0 HB THR A 70 -8.339 -7.698 9.190 1.00 12.43 H new ATOM 0 HG1 THR A 70 -8.528 -7.115 11.429 1.00 70.41 H new ATOM 0 HG21 THR A 70 -10.043 -8.724 10.681 1.00 70.32 H new ATOM 0 HG22 THR A 70 -9.504 -9.831 9.396 1.00 70.32 H new ATOM 0 HG23 THR A 70 -8.896 -10.032 11.057 1.00 70.32 H new ATOM 1008 N PRO A 71 -7.036 -11.074 7.901 1.00 12.01 N ATOM 1009 CA PRO A 71 -7.407 -11.727 6.656 1.00 63.33 C ATOM 1010 C PRO A 71 -8.916 -11.613 6.453 1.00 4.12 C ATOM 1011 O PRO A 71 -9.688 -11.694 7.412 1.00 33.54 O ATOM 1012 CB PRO A 71 -6.954 -13.175 6.841 1.00 12.02 C ATOM 1013 CG PRO A 71 -7.025 -13.399 8.353 1.00 25.11 C ATOM 1014 CD PRO A 71 -6.709 -12.037 8.931 1.00 24.44 C ATOM 0 HA PRO A 71 -6.950 -11.283 5.772 1.00 63.33 H new ATOM 0 HB2 PRO A 71 -7.603 -13.867 6.305 1.00 12.02 H new ATOM 0 HB3 PRO A 71 -5.943 -13.328 6.463 1.00 12.02 H new ATOM 0 HG2 PRO A 71 -8.011 -13.746 8.661 1.00 25.11 H new ATOM 0 HG3 PRO A 71 -6.306 -14.150 8.681 1.00 25.11 H new ATOM 0 HD2 PRO A 71 -7.291 -11.853 9.834 1.00 24.44 H new ATOM 0 HD3 PRO A 71 -5.657 -11.967 9.209 1.00 24.44 H new ATOM 1019 N VAL A 72 -9.340 -11.433 5.204 1.00 10.14 N ATOM 1020 CA VAL A 72 -10.743 -11.374 4.832 1.00 25.13 C ATOM 1021 C VAL A 72 -10.921 -12.223 3.581 1.00 43.44 C ATOM 1022 O VAL A 72 -10.156 -12.117 2.617 1.00 32.42 O ATOM 1023 CB VAL A 72 -11.227 -9.915 4.685 1.00 32.25 C ATOM 1024 CG1 VAL A 72 -12.739 -9.875 4.416 1.00 61.30 C ATOM 1025 CG2 VAL A 72 -10.932 -9.078 5.947 1.00 61.32 C ATOM 0 H VAL A 72 -8.705 -11.323 4.413 1.00 10.14 H new ATOM 0 HA VAL A 72 -11.378 -11.785 5.616 1.00 25.13 H new ATOM 0 HB VAL A 72 -10.681 -9.487 3.845 1.00 32.25 H new ATOM 0 HG11 VAL A 72 -13.063 -8.839 4.315 1.00 61.30 H new ATOM 0 HG12 VAL A 72 -12.959 -10.416 3.495 1.00 61.30 H new ATOM 0 HG13 VAL A 72 -13.269 -10.342 5.246 1.00 61.30 H new ATOM 0 HG21 VAL A 72 -11.289 -8.059 5.799 1.00 61.32 H new ATOM 0 HG22 VAL A 72 -11.440 -9.520 6.804 1.00 61.32 H new ATOM 0 HG23 VAL A 72 -9.858 -9.063 6.131 1.00 61.32 H new ATOM 1035 N GLY A 73 -11.923 -13.099 3.613 1.00 63.14 N ATOM 1036 CA GLY A 73 -12.337 -13.898 2.475 1.00 23.44 C ATOM 1037 C GLY A 73 -11.393 -15.051 2.139 1.00 72.50 C ATOM 1038 O GLY A 73 -11.774 -15.882 1.319 1.00 13.24 O ATOM 0 H GLY A 73 -12.478 -13.273 4.451 1.00 63.14 H new ATOM 0 HA2 GLY A 73 -13.330 -14.302 2.672 1.00 23.44 H new ATOM 0 HA3 GLY A 73 -12.424 -13.250 1.603 1.00 23.44 H new ATOM 1042 N ASN A 74 -10.220 -15.172 2.783 1.00 24.52 N ATOM 1043 CA ASN A 74 -9.104 -16.054 2.437 1.00 63.50 C ATOM 1044 C ASN A 74 -8.353 -15.610 1.170 1.00 52.44 C ATOM 1045 O ASN A 74 -7.419 -16.288 0.733 1.00 44.21 O ATOM 1046 CB ASN A 74 -9.539 -17.525 2.405 1.00 13.25 C ATOM 1047 CG ASN A 74 -8.378 -18.490 2.492 1.00 3.13 C ATOM 1048 OD1 ASN A 74 -8.299 -19.439 1.721 1.00 73.51 O ATOM 1049 ND2 ASN A 74 -7.504 -18.337 3.471 1.00 22.53 N ATOM 0 H ASN A 74 -10.018 -14.617 3.614 1.00 24.52 H new ATOM 0 HA ASN A 74 -8.370 -15.965 3.238 1.00 63.50 H new ATOM 0 HB2 ASN A 74 -10.223 -17.713 3.233 1.00 13.25 H new ATOM 0 HB3 ASN A 74 -10.092 -17.714 1.485 1.00 13.25 H new ATOM 0 HD21 ASN A 74 -6.751 -19.014 3.593 1.00 22.53 H new ATOM 0 HD22 ASN A 74 -7.582 -17.542 4.105 1.00 22.53 H new ATOM 1055 N TYR A 75 -8.729 -14.458 0.600 1.00 50.10 N ATOM 1056 CA TYR A 75 -8.198 -13.900 -0.641 1.00 33.32 C ATOM 1057 C TYR A 75 -7.602 -12.492 -0.455 1.00 2.25 C ATOM 1058 O TYR A 75 -7.160 -11.872 -1.429 1.00 4.31 O ATOM 1059 CB TYR A 75 -9.283 -13.959 -1.734 1.00 24.12 C ATOM 1060 CG TYR A 75 -10.675 -13.464 -1.368 1.00 45.40 C ATOM 1061 CD1 TYR A 75 -10.881 -12.128 -0.978 1.00 52.03 C ATOM 1062 CD2 TYR A 75 -11.779 -14.335 -1.450 1.00 44.33 C ATOM 1063 CE1 TYR A 75 -12.169 -11.671 -0.653 1.00 51.43 C ATOM 1064 CE2 TYR A 75 -13.077 -13.877 -1.156 1.00 43.40 C ATOM 1065 CZ TYR A 75 -13.277 -12.537 -0.758 1.00 52.30 C ATOM 1066 OH TYR A 75 -14.517 -12.075 -0.439 1.00 61.21 O ATOM 0 H TYR A 75 -9.447 -13.864 1.015 1.00 50.10 H new ATOM 0 HA TYR A 75 -7.356 -14.511 -0.964 1.00 33.32 H new ATOM 0 HB2 TYR A 75 -8.933 -13.378 -2.588 1.00 24.12 H new ATOM 0 HB3 TYR A 75 -9.370 -14.993 -2.066 1.00 24.12 H new ATOM 0 HD1 TYR A 75 -10.043 -11.449 -0.928 1.00 52.03 H new ATOM 0 HD2 TYR A 75 -11.628 -15.364 -1.741 1.00 44.33 H new ATOM 0 HE1 TYR A 75 -12.311 -10.653 -0.322 1.00 51.43 H new ATOM 0 HE2 TYR A 75 -13.919 -14.549 -1.235 1.00 43.40 H new ATOM 0 HH TYR A 75 -15.175 -12.791 -0.564 1.00 61.21 H new ATOM 1075 N ALA A 76 -7.621 -11.942 0.768 1.00 33.12 N ATOM 1076 CA ALA A 76 -7.263 -10.550 1.025 1.00 32.41 C ATOM 1077 C ALA A 76 -6.886 -10.288 2.481 1.00 2.43 C ATOM 1078 O ALA A 76 -7.091 -11.140 3.343 1.00 4.02 O ATOM 1079 CB ALA A 76 -8.480 -9.691 0.680 1.00 3.31 C ATOM 0 H ALA A 76 -7.887 -12.458 1.607 1.00 33.12 H new ATOM 0 HA ALA A 76 -6.390 -10.308 0.418 1.00 32.41 H new ATOM 0 HB1 ALA A 76 -8.248 -8.642 0.861 1.00 3.31 H new ATOM 0 HB2 ALA A 76 -8.738 -9.830 -0.370 1.00 3.31 H new ATOM 0 HB3 ALA A 76 -9.324 -9.988 1.303 1.00 3.31 H new ATOM 1085 N VAL A 77 -6.416 -9.075 2.773 1.00 4.43 N ATOM 1086 CA VAL A 77 -6.181 -8.574 4.122 1.00 73.50 C ATOM 1087 C VAL A 77 -6.736 -7.156 4.265 1.00 61.51 C ATOM 1088 O VAL A 77 -6.732 -6.359 3.324 1.00 51.24 O ATOM 1089 CB VAL A 77 -4.683 -8.634 4.496 1.00 72.40 C ATOM 1090 CG1 VAL A 77 -4.247 -10.071 4.810 1.00 34.34 C ATOM 1091 CG2 VAL A 77 -3.765 -8.050 3.410 1.00 62.21 C ATOM 0 H VAL A 77 -6.182 -8.394 2.051 1.00 4.43 H new ATOM 0 HA VAL A 77 -6.710 -9.221 4.822 1.00 73.50 H new ATOM 0 HB VAL A 77 -4.578 -8.014 5.386 1.00 72.40 H new ATOM 0 HG11 VAL A 77 -3.188 -10.082 5.070 1.00 34.34 H new ATOM 0 HG12 VAL A 77 -4.830 -10.453 5.648 1.00 34.34 H new ATOM 0 HG13 VAL A 77 -4.412 -10.701 3.936 1.00 34.34 H new ATOM 0 HG21 VAL A 77 -2.727 -8.122 3.734 1.00 62.21 H new ATOM 0 HG22 VAL A 77 -3.896 -8.609 2.484 1.00 62.21 H new ATOM 0 HG23 VAL A 77 -4.021 -7.004 3.241 1.00 62.21 H new ATOM 1101 N LYS A 78 -7.209 -6.840 5.464 1.00 61.30 N ATOM 1102 CA LYS A 78 -7.407 -5.501 5.975 1.00 63.30 C ATOM 1103 C LYS A 78 -6.037 -4.988 6.409 1.00 43.31 C ATOM 1104 O LYS A 78 -5.279 -5.744 7.020 1.00 3.12 O ATOM 1105 CB LYS A 78 -8.371 -5.579 7.178 1.00 13.33 C ATOM 1106 CG LYS A 78 -9.253 -4.326 7.244 1.00 22.41 C ATOM 1107 CD LYS A 78 -10.438 -4.496 8.197 1.00 64.10 C ATOM 1108 CE LYS A 78 -11.655 -5.164 7.542 1.00 21.13 C ATOM 1109 NZ LYS A 78 -12.568 -4.222 6.858 1.00 73.31 N ATOM 0 H LYS A 78 -7.478 -7.556 6.139 1.00 61.30 H new ATOM 0 HA LYS A 78 -7.837 -4.831 5.231 1.00 63.30 H new ATOM 0 HB2 LYS A 78 -8.997 -6.467 7.092 1.00 13.33 H new ATOM 0 HB3 LYS A 78 -7.801 -5.679 8.102 1.00 13.33 H new ATOM 0 HG2 LYS A 78 -8.650 -3.477 7.566 1.00 22.41 H new ATOM 0 HG3 LYS A 78 -9.624 -4.093 6.246 1.00 22.41 H new ATOM 0 HD2 LYS A 78 -10.123 -5.091 9.054 1.00 64.10 H new ATOM 0 HD3 LYS A 78 -10.731 -3.518 8.579 1.00 64.10 H new ATOM 0 HE2 LYS A 78 -11.306 -5.903 6.820 1.00 21.13 H new ATOM 0 HE3 LYS A 78 -12.214 -5.704 8.306 1.00 21.13 H new ATOM 0 HZ1 LYS A 78 -13.363 -4.749 6.442 1.00 73.31 H new ATOM 0 HZ2 LYS A 78 -12.932 -3.531 7.545 1.00 73.31 H new ATOM 0 HZ3 LYS A 78 -12.052 -3.723 6.105 1.00 73.31 H new ATOM 1119 N LEU A 79 -5.734 -3.722 6.122 1.00 41.33 N ATOM 1120 CA LEU A 79 -4.554 -3.014 6.611 1.00 54.24 C ATOM 1121 C LEU A 79 -5.075 -1.853 7.432 1.00 31.45 C ATOM 1122 O LEU A 79 -5.421 -0.820 6.866 1.00 2.23 O ATOM 1123 CB LEU A 79 -3.675 -2.477 5.461 1.00 22.12 C ATOM 1124 CG LEU A 79 -3.133 -3.526 4.491 1.00 41.40 C ATOM 1125 CD1 LEU A 79 -2.236 -2.839 3.458 1.00 50.24 C ATOM 1126 CD2 LEU A 79 -2.351 -4.625 5.202 1.00 23.52 C ATOM 0 H LEU A 79 -6.323 -3.143 5.523 1.00 41.33 H new ATOM 0 HA LEU A 79 -3.927 -3.692 7.190 1.00 54.24 H new ATOM 0 HB2 LEU A 79 -4.257 -1.751 4.893 1.00 22.12 H new ATOM 0 HB3 LEU A 79 -2.831 -1.940 5.894 1.00 22.12 H new ATOM 0 HG LEU A 79 -3.985 -4.000 4.003 1.00 41.40 H new ATOM 0 HD11 LEU A 79 -1.846 -3.583 2.763 1.00 50.24 H new ATOM 0 HD12 LEU A 79 -2.816 -2.097 2.909 1.00 50.24 H new ATOM 0 HD13 LEU A 79 -1.407 -2.347 3.966 1.00 50.24 H new ATOM 0 HD21 LEU A 79 -1.987 -5.345 4.469 1.00 23.52 H new ATOM 0 HD22 LEU A 79 -1.505 -4.186 5.730 1.00 23.52 H new ATOM 0 HD23 LEU A 79 -3.001 -5.131 5.916 1.00 23.52 H new ATOM 1137 N VAL A 80 -5.207 -2.029 8.739 1.00 13.12 N ATOM 1138 CA VAL A 80 -5.573 -0.917 9.606 1.00 62.52 C ATOM 1139 C VAL A 80 -4.348 -0.060 9.821 1.00 72.41 C ATOM 1140 O VAL A 80 -3.387 -0.504 10.438 1.00 32.31 O ATOM 1141 CB VAL A 80 -6.278 -1.383 10.887 1.00 64.21 C ATOM 1142 CG1 VAL A 80 -5.624 -2.573 11.565 1.00 53.11 C ATOM 1143 CG2 VAL A 80 -6.543 -0.229 11.857 1.00 74.11 C ATOM 0 H VAL A 80 -5.068 -2.919 9.218 1.00 13.12 H new ATOM 0 HA VAL A 80 -6.327 -0.292 9.128 1.00 62.52 H new ATOM 0 HB VAL A 80 -7.248 -1.753 10.555 1.00 64.21 H new ATOM 0 HG11 VAL A 80 -6.186 -2.835 12.461 1.00 53.11 H new ATOM 0 HG12 VAL A 80 -5.615 -3.422 10.881 1.00 53.11 H new ATOM 0 HG13 VAL A 80 -4.601 -2.318 11.841 1.00 53.11 H new ATOM 0 HG21 VAL A 80 -7.043 -0.610 12.747 1.00 74.11 H new ATOM 0 HG22 VAL A 80 -5.597 0.232 12.141 1.00 74.11 H new ATOM 0 HG23 VAL A 80 -7.178 0.514 11.374 1.00 74.11 H new ATOM 1153 N PHE A 81 -4.376 1.156 9.291 1.00 3.24 N ATOM 1154 CA PHE A 81 -3.433 2.183 9.689 1.00 45.41 C ATOM 1155 C PHE A 81 -3.967 2.833 10.960 1.00 4.31 C ATOM 1156 O PHE A 81 -5.148 3.186 11.019 1.00 53.21 O ATOM 1157 CB PHE A 81 -3.220 3.165 8.539 1.00 42.30 C ATOM 1158 CG PHE A 81 -2.496 2.502 7.384 1.00 53.31 C ATOM 1159 CD1 PHE A 81 -1.106 2.304 7.463 1.00 30.10 C ATOM 1160 CD2 PHE A 81 -3.217 1.982 6.292 1.00 4.02 C ATOM 1161 CE1 PHE A 81 -0.431 1.613 6.443 1.00 54.31 C ATOM 1162 CE2 PHE A 81 -2.545 1.275 5.280 1.00 65.13 C ATOM 1163 CZ PHE A 81 -1.152 1.093 5.356 1.00 70.23 C ATOM 0 H PHE A 81 -5.046 1.452 8.582 1.00 3.24 H new ATOM 0 HA PHE A 81 -2.449 1.770 9.910 1.00 45.41 H new ATOM 0 HB2 PHE A 81 -4.183 3.546 8.198 1.00 42.30 H new ATOM 0 HB3 PHE A 81 -2.644 4.022 8.890 1.00 42.30 H new ATOM 0 HD1 PHE A 81 -0.556 2.684 8.311 1.00 30.10 H new ATOM 0 HD2 PHE A 81 -4.286 2.126 6.232 1.00 4.02 H new ATOM 0 HE1 PHE A 81 0.640 1.482 6.495 1.00 54.31 H new ATOM 0 HE2 PHE A 81 -3.098 0.872 4.444 1.00 65.13 H new ATOM 0 HZ PHE A 81 -0.636 0.552 4.577 1.00 70.23 H new ATOM 1172 N ASP A 82 -3.103 2.984 11.966 1.00 31.53 N ATOM 1173 CA ASP A 82 -3.384 3.532 13.291 1.00 11.22 C ATOM 1174 C ASP A 82 -3.967 4.949 13.233 1.00 70.33 C ATOM 1175 O ASP A 82 -4.736 5.348 14.108 1.00 72.32 O ATOM 1176 CB ASP A 82 -2.086 3.524 14.112 1.00 21.40 C ATOM 1177 CG ASP A 82 -1.098 4.635 13.722 1.00 24.41 C ATOM 1178 OD1 ASP A 82 -0.857 4.862 12.515 1.00 64.43 O ATOM 1179 OD2 ASP A 82 -0.533 5.254 14.649 1.00 3.24 O ATOM 0 H ASP A 82 -2.126 2.708 11.869 1.00 31.53 H new ATOM 0 HA ASP A 82 -4.141 2.906 13.763 1.00 11.22 H new ATOM 0 HB2 ASP A 82 -2.335 3.626 15.168 1.00 21.40 H new ATOM 0 HB3 ASP A 82 -1.597 2.557 13.992 1.00 21.40 H new ATOM 1183 N ASP A 83 -3.652 5.669 12.162 1.00 3.32 N ATOM 1184 CA ASP A 83 -4.197 6.950 11.728 1.00 4.10 C ATOM 1185 C ASP A 83 -5.733 6.943 11.669 1.00 42.31 C ATOM 1186 O ASP A 83 -6.363 7.945 12.018 1.00 63.30 O ATOM 1187 CB ASP A 83 -3.551 7.225 10.369 1.00 10.41 C ATOM 1188 CG ASP A 83 -3.962 8.521 9.681 1.00 12.34 C ATOM 1189 OD1 ASP A 83 -5.155 8.752 9.423 1.00 25.32 O ATOM 1190 OD2 ASP A 83 -3.059 9.220 9.145 1.00 30.13 O ATOM 0 H ASP A 83 -2.939 5.337 11.513 1.00 3.32 H new ATOM 0 HA ASP A 83 -3.968 7.744 12.439 1.00 4.10 H new ATOM 0 HB2 ASP A 83 -2.469 7.234 10.499 1.00 10.41 H new ATOM 0 HB3 ASP A 83 -3.785 6.394 9.703 1.00 10.41 H new ATOM 1194 N GLY A 84 -6.348 5.795 11.357 1.00 4.45 N ATOM 1195 CA GLY A 84 -7.790 5.575 11.457 1.00 65.34 C ATOM 1196 C GLY A 84 -8.396 4.966 10.198 1.00 61.52 C ATOM 1197 O GLY A 84 -9.512 5.337 9.812 1.00 5.35 O ATOM 0 H GLY A 84 -5.841 4.976 11.020 1.00 4.45 H new ATOM 0 HA2 GLY A 84 -7.992 4.919 12.303 1.00 65.34 H new ATOM 0 HA3 GLY A 84 -8.282 6.525 11.666 1.00 65.34 H new ATOM 1201 N HIS A 85 -7.655 4.090 9.513 1.00 22.14 N ATOM 1202 CA HIS A 85 -7.941 3.680 8.143 1.00 64.51 C ATOM 1203 C HIS A 85 -7.742 2.165 8.037 1.00 34.24 C ATOM 1204 O HIS A 85 -6.750 1.693 7.488 1.00 71.31 O ATOM 1205 CB HIS A 85 -7.048 4.527 7.212 1.00 34.33 C ATOM 1206 CG HIS A 85 -7.196 4.336 5.720 1.00 72.32 C ATOM 1207 ND1 HIS A 85 -7.098 3.157 5.015 1.00 1.23 N ATOM 1208 CD2 HIS A 85 -7.279 5.348 4.803 1.00 2.41 C ATOM 1209 CE1 HIS A 85 -7.119 3.461 3.706 1.00 32.14 C ATOM 1210 NE2 HIS A 85 -7.216 4.789 3.524 1.00 44.01 N ATOM 0 H HIS A 85 -6.827 3.641 9.905 1.00 22.14 H new ATOM 0 HA HIS A 85 -8.972 3.861 7.839 1.00 64.51 H new ATOM 0 HB2 HIS A 85 -7.236 5.577 7.434 1.00 34.33 H new ATOM 0 HB3 HIS A 85 -6.009 4.327 7.473 1.00 34.33 H new ATOM 0 HD1 HIS A 85 -7.023 2.221 5.414 1.00 1.23 H new ATOM 0 HD2 HIS A 85 -7.377 6.400 5.029 1.00 2.41 H new ATOM 0 HE1 HIS A 85 -7.065 2.736 2.908 1.00 32.14 H new ATOM 1217 N ASP A 86 -8.678 1.388 8.592 1.00 52.34 N ATOM 1218 CA ASP A 86 -8.888 -0.030 8.270 1.00 45.02 C ATOM 1219 C ASP A 86 -9.709 -0.201 6.987 1.00 31.22 C ATOM 1220 O ASP A 86 -9.721 -1.286 6.399 1.00 62.31 O ATOM 1221 CB ASP A 86 -9.586 -0.740 9.432 1.00 11.45 C ATOM 1222 CG ASP A 86 -11.089 -0.479 9.473 1.00 53.10 C ATOM 1223 OD1 ASP A 86 -11.468 0.577 10.026 1.00 23.54 O ATOM 1224 OD2 ASP A 86 -11.871 -1.315 8.966 1.00 10.34 O ATOM 0 H ASP A 86 -9.328 1.736 9.296 1.00 52.34 H new ATOM 0 HA ASP A 86 -7.909 -0.480 8.107 1.00 45.02 H new ATOM 0 HB2 ASP A 86 -9.411 -1.813 9.353 1.00 11.45 H new ATOM 0 HB3 ASP A 86 -9.140 -0.413 10.371 1.00 11.45 H new ATOM 1228 N THR A 87 -10.385 0.848 6.527 1.00 11.43 N ATOM 1229 CA THR A 87 -11.265 0.847 5.374 1.00 1.45 C ATOM 1230 C THR A 87 -10.450 0.911 4.078 1.00 70.50 C ATOM 1231 O THR A 87 -9.916 1.954 3.712 1.00 64.54 O ATOM 1232 CB THR A 87 -12.295 1.980 5.559 1.00 61.14 C ATOM 1233 OG1 THR A 87 -11.760 3.119 6.224 1.00 21.13 O ATOM 1234 CG2 THR A 87 -13.422 1.433 6.448 1.00 25.42 C ATOM 0 H THR A 87 -10.328 1.763 6.973 1.00 11.43 H new ATOM 0 HA THR A 87 -11.828 -0.083 5.291 1.00 1.45 H new ATOM 0 HB THR A 87 -12.627 2.291 4.568 1.00 61.14 H new ATOM 0 HG1 THR A 87 -12.456 3.804 6.311 1.00 21.13 H new ATOM 0 HG21 THR A 87 -14.173 2.208 6.602 1.00 25.42 H new ATOM 0 HG22 THR A 87 -13.883 0.573 5.963 1.00 25.42 H new ATOM 0 HG23 THR A 87 -13.011 1.129 7.411 1.00 25.42 H new ATOM 1242 N GLY A 88 -10.316 -0.226 3.391 1.00 4.22 N ATOM 1243 CA GLY A 88 -9.621 -0.353 2.115 1.00 50.11 C ATOM 1244 C GLY A 88 -9.879 -1.728 1.509 1.00 5.05 C ATOM 1245 O GLY A 88 -10.653 -1.854 0.564 1.00 4.05 O ATOM 0 H GLY A 88 -10.702 -1.110 3.721 1.00 4.22 H new ATOM 0 HA2 GLY A 88 -9.960 0.424 1.429 1.00 50.11 H new ATOM 0 HA3 GLY A 88 -8.551 -0.206 2.259 1.00 50.11 H new ATOM 1249 N LEU A 89 -9.262 -2.748 2.119 1.00 45.42 N ATOM 1250 CA LEU A 89 -9.319 -4.172 1.852 1.00 33.14 C ATOM 1251 C LEU A 89 -8.513 -4.531 0.591 1.00 71.11 C ATOM 1252 O LEU A 89 -8.809 -4.086 -0.521 1.00 25.44 O ATOM 1253 CB LEU A 89 -10.781 -4.594 1.780 1.00 54.01 C ATOM 1254 CG LEU A 89 -11.147 -5.990 2.284 1.00 11.24 C ATOM 1255 CD1 LEU A 89 -10.088 -7.038 1.984 1.00 14.44 C ATOM 1256 CD2 LEU A 89 -11.422 -5.967 3.790 1.00 65.11 C ATOM 0 H LEU A 89 -8.639 -2.560 2.904 1.00 45.42 H new ATOM 0 HA LEU A 89 -8.849 -4.731 2.661 1.00 33.14 H new ATOM 0 HB2 LEU A 89 -11.367 -3.870 2.346 1.00 54.01 H new ATOM 0 HB3 LEU A 89 -11.100 -4.519 0.740 1.00 54.01 H new ATOM 0 HG LEU A 89 -12.048 -6.274 1.740 1.00 11.24 H new ATOM 0 HD11 LEU A 89 -10.413 -8.004 2.369 1.00 14.44 H new ATOM 0 HD12 LEU A 89 -9.940 -7.108 0.906 1.00 14.44 H new ATOM 0 HD13 LEU A 89 -9.150 -6.754 2.461 1.00 14.44 H new ATOM 0 HD21 LEU A 89 -11.681 -6.970 4.128 1.00 65.11 H new ATOM 0 HD22 LEU A 89 -10.532 -5.625 4.317 1.00 65.11 H new ATOM 0 HD23 LEU A 89 -12.250 -5.289 3.998 1.00 65.11 H new ATOM 1267 N TYR A 90 -7.448 -5.307 0.777 1.00 43.44 N ATOM 1268 CA TYR A 90 -6.345 -5.471 -0.165 1.00 32.15 C ATOM 1269 C TYR A 90 -6.289 -6.945 -0.553 1.00 24.43 C ATOM 1270 O TYR A 90 -5.939 -7.787 0.273 1.00 25.45 O ATOM 1271 CB TYR A 90 -5.019 -5.005 0.466 1.00 25.14 C ATOM 1272 CG TYR A 90 -4.921 -3.529 0.812 1.00 52.11 C ATOM 1273 CD1 TYR A 90 -5.712 -2.993 1.846 1.00 33.41 C ATOM 1274 CD2 TYR A 90 -4.009 -2.696 0.128 1.00 12.14 C ATOM 1275 CE1 TYR A 90 -5.634 -1.629 2.157 1.00 32.44 C ATOM 1276 CE2 TYR A 90 -3.890 -1.338 0.481 1.00 4.44 C ATOM 1277 CZ TYR A 90 -4.701 -0.797 1.508 1.00 45.41 C ATOM 1278 OH TYR A 90 -4.600 0.508 1.885 1.00 2.05 O ATOM 0 H TYR A 90 -7.325 -5.862 1.624 1.00 43.44 H new ATOM 0 HA TYR A 90 -6.502 -4.859 -1.053 1.00 32.15 H new ATOM 0 HB2 TYR A 90 -4.852 -5.582 1.376 1.00 25.14 H new ATOM 0 HB3 TYR A 90 -4.209 -5.250 -0.220 1.00 25.14 H new ATOM 0 HD1 TYR A 90 -6.380 -3.635 2.401 1.00 33.41 H new ATOM 0 HD2 TYR A 90 -3.401 -3.101 -0.668 1.00 12.14 H new ATOM 0 HE1 TYR A 90 -6.296 -1.212 2.902 1.00 32.44 H new ATOM 0 HE2 TYR A 90 -3.179 -0.708 -0.033 1.00 4.44 H new ATOM 0 HH TYR A 90 -3.777 0.892 1.516 1.00 2.05 H new ATOM 1287 N SER A 91 -6.676 -7.264 -1.783 1.00 30.25 N ATOM 1288 CA SER A 91 -6.698 -8.631 -2.314 1.00 2.21 C ATOM 1289 C SER A 91 -5.319 -8.969 -2.850 1.00 71.52 C ATOM 1290 O SER A 91 -4.590 -8.051 -3.212 1.00 54.22 O ATOM 1291 CB SER A 91 -7.727 -8.753 -3.441 1.00 42.02 C ATOM 1292 OG SER A 91 -8.950 -8.140 -3.095 1.00 13.45 O ATOM 0 H SER A 91 -6.991 -6.567 -2.458 1.00 30.25 H new ATOM 0 HA SER A 91 -6.974 -9.321 -1.517 1.00 2.21 H new ATOM 0 HB2 SER A 91 -7.332 -8.293 -4.347 1.00 42.02 H new ATOM 0 HB3 SER A 91 -7.898 -9.806 -3.667 1.00 42.02 H new ATOM 0 HG SER A 91 -9.584 -8.234 -3.836 1.00 13.45 H new ATOM 1297 N TRP A 92 -4.955 -10.244 -2.990 1.00 41.22 N ATOM 1298 CA TRP A 92 -3.603 -10.610 -3.425 1.00 70.51 C ATOM 1299 C TRP A 92 -3.181 -9.932 -4.739 1.00 12.32 C ATOM 1300 O TRP A 92 -2.027 -9.523 -4.860 1.00 51.33 O ATOM 1301 CB TRP A 92 -3.482 -12.128 -3.499 1.00 24.44 C ATOM 1302 CG TRP A 92 -3.919 -12.889 -2.277 1.00 31.11 C ATOM 1303 CD1 TRP A 92 -4.574 -14.067 -2.324 1.00 21.23 C ATOM 1304 CD2 TRP A 92 -3.807 -12.562 -0.850 1.00 2.03 C ATOM 1305 NE1 TRP A 92 -4.898 -14.475 -1.051 1.00 33.53 N ATOM 1306 CE2 TRP A 92 -4.417 -13.612 -0.100 1.00 65.42 C ATOM 1307 CE3 TRP A 92 -3.261 -11.499 -0.096 1.00 51.13 C ATOM 1308 CZ2 TRP A 92 -4.458 -13.621 1.299 1.00 2.24 C ATOM 1309 CZ3 TRP A 92 -3.278 -11.501 1.310 1.00 21.44 C ATOM 1310 CH2 TRP A 92 -3.860 -12.573 2.009 1.00 43.12 C ATOM 0 H TRP A 92 -5.571 -11.037 -2.810 1.00 41.22 H new ATOM 0 HA TRP A 92 -2.904 -10.234 -2.678 1.00 70.51 H new ATOM 0 HB2 TRP A 92 -4.069 -12.478 -4.348 1.00 24.44 H new ATOM 0 HB3 TRP A 92 -2.442 -12.379 -3.705 1.00 24.44 H new ATOM 0 HD1 TRP A 92 -4.809 -14.610 -3.228 1.00 21.23 H new ATOM 0 HE1 TRP A 92 -5.432 -15.318 -0.840 1.00 33.53 H new ATOM 0 HE3 TRP A 92 -2.818 -10.661 -0.614 1.00 51.13 H new ATOM 0 HZ2 TRP A 92 -4.946 -14.428 1.825 1.00 2.24 H new ATOM 0 HZ3 TRP A 92 -2.843 -10.676 1.855 1.00 21.44 H new ATOM 0 HH2 TRP A 92 -3.846 -12.588 3.089 1.00 43.12 H new ATOM 1320 N LYS A 93 -4.127 -9.701 -5.660 1.00 64.43 N ATOM 1321 CA LYS A 93 -3.936 -8.890 -6.860 1.00 10.23 C ATOM 1322 C LYS A 93 -3.420 -7.505 -6.474 1.00 5.24 C ATOM 1323 O LYS A 93 -2.373 -7.103 -6.964 1.00 44.14 O ATOM 1324 CB LYS A 93 -5.256 -8.858 -7.664 1.00 62.32 C ATOM 1325 CG LYS A 93 -5.177 -8.277 -9.090 1.00 12.44 C ATOM 1326 CD LYS A 93 -4.966 -6.757 -9.150 1.00 21.21 C ATOM 1327 CE LYS A 93 -5.363 -6.161 -10.509 1.00 22.34 C ATOM 1328 NZ LYS A 93 -6.794 -5.789 -10.594 1.00 73.22 N ATOM 0 H LYS A 93 -5.069 -10.085 -5.585 1.00 64.43 H new ATOM 0 HA LYS A 93 -3.177 -9.327 -7.510 1.00 10.23 H new ATOM 0 HB2 LYS A 93 -5.640 -9.876 -7.731 1.00 62.32 H new ATOM 0 HB3 LYS A 93 -5.986 -8.278 -7.099 1.00 62.32 H new ATOM 0 HG2 LYS A 93 -4.361 -8.765 -9.622 1.00 12.44 H new ATOM 0 HG3 LYS A 93 -6.097 -8.524 -9.620 1.00 12.44 H new ATOM 0 HD2 LYS A 93 -5.551 -6.281 -8.363 1.00 21.21 H new ATOM 0 HD3 LYS A 93 -3.919 -6.531 -8.950 1.00 21.21 H new ATOM 0 HE2 LYS A 93 -4.754 -5.278 -10.702 1.00 22.34 H new ATOM 0 HE3 LYS A 93 -5.136 -6.882 -11.294 1.00 22.34 H new ATOM 0 HZ1 LYS A 93 -6.995 -5.394 -11.535 1.00 73.22 H new ATOM 0 HZ2 LYS A 93 -7.382 -6.633 -10.440 1.00 73.22 H new ATOM 0 HZ3 LYS A 93 -7.012 -5.078 -9.867 1.00 73.22 H new ATOM 1338 N VAL A 94 -4.128 -6.790 -5.596 1.00 5.43 N ATOM 1339 CA VAL A 94 -3.798 -5.435 -5.161 1.00 30.24 C ATOM 1340 C VAL A 94 -2.357 -5.371 -4.655 1.00 74.34 C ATOM 1341 O VAL A 94 -1.601 -4.494 -5.068 1.00 51.11 O ATOM 1342 CB VAL A 94 -4.772 -4.953 -4.056 1.00 24.33 C ATOM 1343 CG1 VAL A 94 -4.485 -3.527 -3.559 1.00 12.44 C ATOM 1344 CG2 VAL A 94 -6.243 -5.029 -4.491 1.00 52.13 C ATOM 0 H VAL A 94 -4.974 -7.152 -5.155 1.00 5.43 H new ATOM 0 HA VAL A 94 -3.900 -4.773 -6.021 1.00 30.24 H new ATOM 0 HB VAL A 94 -4.598 -5.646 -3.233 1.00 24.33 H new ATOM 0 HG11 VAL A 94 -5.206 -3.259 -2.787 1.00 12.44 H new ATOM 0 HG12 VAL A 94 -3.477 -3.482 -3.146 1.00 12.44 H new ATOM 0 HG13 VAL A 94 -4.567 -2.828 -4.391 1.00 12.44 H new ATOM 0 HG21 VAL A 94 -6.881 -4.680 -3.679 1.00 52.13 H new ATOM 0 HG22 VAL A 94 -6.396 -4.401 -5.369 1.00 52.13 H new ATOM 0 HG23 VAL A 94 -6.498 -6.061 -4.734 1.00 52.13 H new ATOM 1354 N LEU A 95 -1.987 -6.258 -3.723 1.00 30.11 N ATOM 1355 CA LEU A 95 -0.690 -6.201 -3.069 1.00 54.21 C ATOM 1356 C LEU A 95 0.423 -6.357 -4.106 1.00 12.21 C ATOM 1357 O LEU A 95 1.434 -5.670 -3.981 1.00 70.21 O ATOM 1358 CB LEU A 95 -0.577 -7.282 -1.977 1.00 74.42 C ATOM 1359 CG LEU A 95 -1.439 -7.041 -0.714 1.00 1.25 C ATOM 1360 CD1 LEU A 95 -2.851 -7.579 -0.845 1.00 52.24 C ATOM 1361 CD2 LEU A 95 -0.811 -7.707 0.519 1.00 22.51 C ATOM 0 H LEU A 95 -2.579 -7.027 -3.408 1.00 30.11 H new ATOM 0 HA LEU A 95 -0.585 -5.230 -2.586 1.00 54.21 H new ATOM 0 HB2 LEU A 95 -0.857 -8.242 -2.410 1.00 74.42 H new ATOM 0 HB3 LEU A 95 0.467 -7.361 -1.674 1.00 74.42 H new ATOM 0 HG LEU A 95 -1.479 -5.958 -0.600 1.00 1.25 H new ATOM 0 HD11 LEU A 95 -3.403 -7.379 0.073 1.00 52.24 H new ATOM 0 HD12 LEU A 95 -3.350 -7.091 -1.683 1.00 52.24 H new ATOM 0 HD13 LEU A 95 -2.816 -8.654 -1.020 1.00 52.24 H new ATOM 0 HD21 LEU A 95 -1.437 -7.521 1.391 1.00 22.51 H new ATOM 0 HD22 LEU A 95 -0.731 -8.781 0.351 1.00 22.51 H new ATOM 0 HD23 LEU A 95 0.182 -7.292 0.691 1.00 22.51 H new ATOM 1372 N TYR A 96 0.224 -7.226 -5.103 1.00 50.43 N ATOM 1373 CA TYR A 96 1.145 -7.411 -6.215 1.00 73.50 C ATOM 1374 C TYR A 96 1.207 -6.133 -7.052 1.00 22.42 C ATOM 1375 O TYR A 96 2.284 -5.584 -7.251 1.00 42.13 O ATOM 1376 CB TYR A 96 0.721 -8.644 -7.049 1.00 2.15 C ATOM 1377 CG TYR A 96 1.845 -9.489 -7.631 1.00 33.53 C ATOM 1378 CD1 TYR A 96 3.099 -8.923 -7.931 1.00 34.53 C ATOM 1379 CD2 TYR A 96 1.642 -10.872 -7.838 1.00 62.50 C ATOM 1380 CE1 TYR A 96 4.142 -9.730 -8.402 1.00 74.11 C ATOM 1381 CE2 TYR A 96 2.690 -11.691 -8.307 1.00 31.22 C ATOM 1382 CZ TYR A 96 3.943 -11.112 -8.602 1.00 0.24 C ATOM 1383 OH TYR A 96 4.957 -11.882 -9.078 1.00 64.22 O ATOM 0 H TYR A 96 -0.598 -7.828 -5.155 1.00 50.43 H new ATOM 0 HA TYR A 96 2.150 -7.604 -5.841 1.00 73.50 H new ATOM 0 HB2 TYR A 96 0.103 -9.285 -6.420 1.00 2.15 H new ATOM 0 HB3 TYR A 96 0.092 -8.301 -7.870 1.00 2.15 H new ATOM 0 HD1 TYR A 96 3.257 -7.863 -7.797 1.00 34.53 H new ATOM 0 HD2 TYR A 96 0.674 -11.306 -7.635 1.00 62.50 H new ATOM 0 HE1 TYR A 96 5.106 -9.291 -8.614 1.00 74.11 H new ATOM 0 HE2 TYR A 96 2.535 -12.752 -8.439 1.00 31.22 H new ATOM 0 HH TYR A 96 4.654 -12.811 -9.156 1.00 64.22 H new ATOM 1392 N ASP A 97 0.059 -5.638 -7.514 1.00 73.12 N ATOM 1393 CA ASP A 97 -0.041 -4.560 -8.500 1.00 73.51 C ATOM 1394 C ASP A 97 0.615 -3.268 -8.020 1.00 42.13 C ATOM 1395 O ASP A 97 1.265 -2.567 -8.795 1.00 12.01 O ATOM 1396 CB ASP A 97 -1.521 -4.310 -8.826 1.00 2.41 C ATOM 1397 CG ASP A 97 -1.737 -4.055 -10.310 1.00 72.12 C ATOM 1398 OD1 ASP A 97 -1.320 -2.993 -10.818 1.00 20.12 O ATOM 1399 OD2 ASP A 97 -2.361 -4.924 -10.958 1.00 71.43 O ATOM 0 H ASP A 97 -0.850 -5.983 -7.206 1.00 73.12 H new ATOM 0 HA ASP A 97 0.496 -4.875 -9.395 1.00 73.51 H new ATOM 0 HB2 ASP A 97 -2.112 -5.171 -8.515 1.00 2.41 H new ATOM 0 HB3 ASP A 97 -1.880 -3.454 -8.254 1.00 2.41 H new ATOM 1403 N LEU A 98 0.482 -2.974 -6.725 1.00 64.24 N ATOM 1404 CA LEU A 98 1.193 -1.889 -6.063 1.00 14.12 C ATOM 1405 C LEU A 98 2.702 -2.118 -6.181 1.00 32.34 C ATOM 1406 O LEU A 98 3.405 -1.277 -6.730 1.00 2.45 O ATOM 1407 CB LEU A 98 0.740 -1.795 -4.593 1.00 24.21 C ATOM 1408 CG LEU A 98 -0.712 -1.308 -4.403 1.00 23.53 C ATOM 1409 CD1 LEU A 98 -1.112 -1.429 -2.927 1.00 74.13 C ATOM 1410 CD2 LEU A 98 -0.908 0.144 -4.836 1.00 52.22 C ATOM 0 H LEU A 98 -0.134 -3.494 -6.100 1.00 64.24 H new ATOM 0 HA LEU A 98 0.961 -0.939 -6.544 1.00 14.12 H new ATOM 0 HB2 LEU A 98 0.845 -2.776 -4.130 1.00 24.21 H new ATOM 0 HB3 LEU A 98 1.410 -1.119 -4.062 1.00 24.21 H new ATOM 0 HG LEU A 98 -1.338 -1.939 -5.034 1.00 23.53 H new ATOM 0 HD11 LEU A 98 -2.138 -1.084 -2.799 1.00 74.13 H new ATOM 0 HD12 LEU A 98 -1.038 -2.470 -2.614 1.00 74.13 H new ATOM 0 HD13 LEU A 98 -0.445 -0.819 -2.318 1.00 74.13 H new ATOM 0 HD21 LEU A 98 -1.947 0.433 -4.680 1.00 52.22 H new ATOM 0 HD22 LEU A 98 -0.259 0.791 -4.245 1.00 52.22 H new ATOM 0 HD23 LEU A 98 -0.657 0.246 -5.892 1.00 52.22 H new ATOM 1421 N ALA A 99 3.203 -3.253 -5.680 1.00 53.42 N ATOM 1422 CA ALA A 99 4.634 -3.562 -5.633 1.00 33.52 C ATOM 1423 C ALA A 99 5.279 -3.571 -7.019 1.00 2.35 C ATOM 1424 O ALA A 99 6.412 -3.116 -7.180 1.00 12.42 O ATOM 1425 CB ALA A 99 4.852 -4.924 -4.976 1.00 63.53 C ATOM 0 H ALA A 99 2.617 -3.992 -5.291 1.00 53.42 H new ATOM 0 HA ALA A 99 5.108 -2.773 -5.049 1.00 33.52 H new ATOM 0 HB1 ALA A 99 5.919 -5.146 -4.945 1.00 63.53 H new ATOM 0 HB2 ALA A 99 4.455 -4.906 -3.961 1.00 63.53 H new ATOM 0 HB3 ALA A 99 4.338 -5.693 -5.553 1.00 63.53 H new ATOM 1431 N SER A 100 4.584 -4.093 -8.027 1.00 53.01 N ATOM 1432 CA SER A 100 5.072 -4.140 -9.393 1.00 63.14 C ATOM 1433 C SER A 100 5.422 -2.748 -9.923 1.00 13.04 C ATOM 1434 O SER A 100 6.345 -2.639 -10.731 1.00 43.10 O ATOM 1435 CB SER A 100 4.028 -4.828 -10.273 1.00 32.41 C ATOM 1436 OG SER A 100 3.878 -6.176 -9.868 1.00 1.21 O ATOM 0 H SER A 100 3.655 -4.499 -7.911 1.00 53.01 H new ATOM 0 HA SER A 100 5.997 -4.716 -9.416 1.00 63.14 H new ATOM 0 HB2 SER A 100 3.074 -4.307 -10.197 1.00 32.41 H new ATOM 0 HB3 SER A 100 4.333 -4.784 -11.318 1.00 32.41 H new ATOM 0 HG SER A 100 3.395 -6.210 -9.016 1.00 1.21 H new ATOM 1441 N ASN A 101 4.747 -1.694 -9.459 1.00 62.52 N ATOM 1442 CA ASN A 101 4.776 -0.365 -10.071 1.00 60.31 C ATOM 1443 C ASN A 101 5.126 0.732 -9.061 1.00 35.41 C ATOM 1444 O ASN A 101 4.800 1.894 -9.299 1.00 15.01 O ATOM 1445 CB ASN A 101 3.398 -0.084 -10.690 1.00 4.31 C ATOM 1446 CG ASN A 101 2.997 -1.105 -11.734 1.00 22.33 C ATOM 1447 OD1 ASN A 101 3.515 -1.115 -12.846 1.00 60.52 O ATOM 1448 ND2 ASN A 101 2.096 -2.014 -11.411 1.00 0.41 N ATOM 0 H ASN A 101 4.153 -1.742 -8.631 1.00 62.52 H new ATOM 0 HA ASN A 101 5.554 -0.355 -10.834 1.00 60.31 H new ATOM 0 HB2 ASN A 101 2.648 -0.067 -9.900 1.00 4.31 H new ATOM 0 HB3 ASN A 101 3.405 0.907 -11.144 1.00 4.31 H new ATOM 0 HD21 ASN A 101 1.828 -2.729 -12.087 1.00 0.41 H new ATOM 0 HD22 ASN A 101 1.668 -2.002 -10.485 1.00 0.41 H new ATOM 1454 N GLN A 102 5.721 0.401 -7.911 1.00 40.44 N ATOM 1455 CA GLN A 102 5.601 1.260 -6.739 1.00 23.11 C ATOM 1456 C GLN A 102 6.385 2.548 -6.925 1.00 60.51 C ATOM 1457 O GLN A 102 5.954 3.598 -6.463 1.00 73.10 O ATOM 1458 CB GLN A 102 5.988 0.540 -5.436 1.00 41.30 C ATOM 1459 CG GLN A 102 7.362 -0.136 -5.338 1.00 63.32 C ATOM 1460 CD GLN A 102 7.547 -0.700 -3.927 1.00 64.32 C ATOM 1461 OE1 GLN A 102 7.464 0.024 -2.935 1.00 1.15 O ATOM 1462 NE2 GLN A 102 7.762 -1.992 -3.758 1.00 61.54 N ATOM 0 H GLN A 102 6.280 -0.441 -7.771 1.00 40.44 H new ATOM 0 HA GLN A 102 4.547 1.520 -6.641 1.00 23.11 H new ATOM 0 HB2 GLN A 102 5.921 1.267 -4.626 1.00 41.30 H new ATOM 0 HB3 GLN A 102 5.232 -0.222 -5.244 1.00 41.30 H new ATOM 0 HG2 GLN A 102 7.441 -0.935 -6.075 1.00 63.32 H new ATOM 0 HG3 GLN A 102 8.151 0.582 -5.562 1.00 63.32 H new ATOM 0 HE21 GLN A 102 7.834 -2.607 -4.568 1.00 61.54 H new ATOM 0 HE22 GLN A 102 7.856 -2.375 -2.817 1.00 61.54 H new ATOM 1469 N VAL A 103 7.512 2.457 -7.623 1.00 53.03 N ATOM 1470 CA VAL A 103 8.374 3.581 -7.906 1.00 74.40 C ATOM 1471 C VAL A 103 7.628 4.578 -8.788 1.00 40.22 C ATOM 1472 O VAL A 103 7.607 5.757 -8.449 1.00 62.12 O ATOM 1473 CB VAL A 103 9.659 3.063 -8.580 1.00 54.24 C ATOM 1474 CG1 VAL A 103 10.656 4.206 -8.738 1.00 63.52 C ATOM 1475 CG2 VAL A 103 10.339 1.947 -7.775 1.00 12.25 C ATOM 0 H VAL A 103 7.852 1.578 -8.013 1.00 53.03 H new ATOM 0 HA VAL A 103 8.656 4.097 -6.988 1.00 74.40 H new ATOM 0 HB VAL A 103 9.363 2.659 -9.548 1.00 54.24 H new ATOM 0 HG11 VAL A 103 11.563 3.834 -9.215 1.00 63.52 H new ATOM 0 HG12 VAL A 103 10.216 4.990 -9.355 1.00 63.52 H new ATOM 0 HG13 VAL A 103 10.902 4.612 -7.757 1.00 63.52 H new ATOM 0 HG21 VAL A 103 11.239 1.619 -8.296 1.00 12.25 H new ATOM 0 HG22 VAL A 103 10.607 2.322 -6.788 1.00 12.25 H new ATOM 0 HG23 VAL A 103 9.654 1.106 -7.669 1.00 12.25 H new ATOM 1485 N ASP A 104 7.049 4.135 -9.911 1.00 71.11 N ATOM 1486 CA ASP A 104 6.471 5.069 -10.878 1.00 24.11 C ATOM 1487 C ASP A 104 5.190 5.684 -10.326 1.00 2.04 C ATOM 1488 O ASP A 104 4.968 6.888 -10.462 1.00 73.41 O ATOM 1489 CB ASP A 104 6.178 4.405 -12.229 1.00 23.55 C ATOM 1490 CG ASP A 104 5.748 5.474 -13.239 1.00 52.24 C ATOM 1491 OD1 ASP A 104 6.647 6.157 -13.781 1.00 13.14 O ATOM 1492 OD2 ASP A 104 4.530 5.665 -13.467 1.00 64.31 O ATOM 0 H ASP A 104 6.970 3.151 -10.168 1.00 71.11 H new ATOM 0 HA ASP A 104 7.214 5.849 -11.044 1.00 24.11 H new ATOM 0 HB2 ASP A 104 7.064 3.883 -12.590 1.00 23.55 H new ATOM 0 HB3 ASP A 104 5.392 3.658 -12.117 1.00 23.55 H new ATOM 1496 N LEU A 105 4.364 4.869 -9.654 1.00 55.42 N ATOM 1497 CA LEU A 105 3.150 5.365 -9.020 1.00 4.01 C ATOM 1498 C LEU A 105 3.511 6.373 -7.936 1.00 31.22 C ATOM 1499 O LEU A 105 2.814 7.378 -7.823 1.00 53.14 O ATOM 1500 CB LEU A 105 2.268 4.229 -8.461 1.00 72.54 C ATOM 1501 CG LEU A 105 1.751 3.261 -9.542 1.00 72.54 C ATOM 1502 CD1 LEU A 105 1.002 2.070 -8.924 1.00 11.13 C ATOM 1503 CD2 LEU A 105 0.826 3.979 -10.522 1.00 3.21 C ATOM 0 H LEU A 105 4.520 3.868 -9.540 1.00 55.42 H new ATOM 0 HA LEU A 105 2.553 5.862 -9.784 1.00 4.01 H new ATOM 0 HB2 LEU A 105 2.840 3.665 -7.724 1.00 72.54 H new ATOM 0 HB3 LEU A 105 1.417 4.665 -7.938 1.00 72.54 H new ATOM 0 HG LEU A 105 2.625 2.888 -10.075 1.00 72.54 H new ATOM 0 HD11 LEU A 105 0.652 1.409 -9.717 1.00 11.13 H new ATOM 0 HD12 LEU A 105 1.673 1.521 -8.264 1.00 11.13 H new ATOM 0 HD13 LEU A 105 0.148 2.434 -8.352 1.00 11.13 H new ATOM 0 HD21 LEU A 105 0.475 3.273 -11.275 1.00 3.21 H new ATOM 0 HD22 LEU A 105 -0.028 4.389 -9.983 1.00 3.21 H new ATOM 0 HD23 LEU A 105 1.370 4.788 -11.009 1.00 3.21 H new ATOM 1514 N TRP A 106 4.585 6.141 -7.169 1.00 22.32 N ATOM 1515 CA TRP A 106 5.092 7.115 -6.219 1.00 24.25 C ATOM 1516 C TRP A 106 5.481 8.397 -6.935 1.00 4.44 C ATOM 1517 O TRP A 106 4.919 9.425 -6.592 1.00 71.24 O ATOM 1518 CB TRP A 106 6.235 6.550 -5.366 1.00 25.51 C ATOM 1519 CG TRP A 106 6.725 7.514 -4.335 1.00 64.31 C ATOM 1520 CD1 TRP A 106 7.966 8.038 -4.280 1.00 63.24 C ATOM 1521 CD2 TRP A 106 5.968 8.147 -3.264 1.00 13.43 C ATOM 1522 NE1 TRP A 106 8.017 8.982 -3.264 1.00 31.54 N ATOM 1523 CE2 TRP A 106 6.796 9.118 -2.636 1.00 44.00 C ATOM 1524 CE3 TRP A 106 4.646 8.024 -2.788 1.00 25.53 C ATOM 1525 CZ2 TRP A 106 6.316 9.968 -1.626 1.00 72.24 C ATOM 1526 CZ3 TRP A 106 4.177 8.815 -1.720 1.00 74.12 C ATOM 1527 CH2 TRP A 106 5.004 9.801 -1.154 1.00 73.52 C ATOM 0 H TRP A 106 5.119 5.272 -7.197 1.00 22.32 H new ATOM 0 HA TRP A 106 4.291 7.355 -5.519 1.00 24.25 H new ATOM 0 HB2 TRP A 106 5.897 5.639 -4.872 1.00 25.51 H new ATOM 0 HB3 TRP A 106 7.063 6.271 -6.017 1.00 25.51 H new ATOM 0 HD1 TRP A 106 8.789 7.766 -4.924 1.00 63.24 H new ATOM 0 HE1 TRP A 106 8.853 9.510 -3.013 1.00 31.54 H new ATOM 0 HE3 TRP A 106 3.981 7.310 -3.251 1.00 25.53 H new ATOM 0 HZ2 TRP A 106 6.949 10.742 -1.217 1.00 72.24 H new ATOM 0 HZ3 TRP A 106 3.179 8.663 -1.335 1.00 74.12 H new ATOM 0 HH2 TRP A 106 4.631 10.429 -0.358 1.00 73.52 H new ATOM 1537 N GLU A 107 6.379 8.349 -7.918 1.00 52.43 N ATOM 1538 CA GLU A 107 6.915 9.469 -8.707 1.00 72.11 C ATOM 1539 C GLU A 107 5.801 10.408 -9.204 1.00 63.14 C ATOM 1540 O GLU A 107 5.890 11.633 -9.075 1.00 42.44 O ATOM 1541 CB GLU A 107 7.667 8.837 -9.893 1.00 11.03 C ATOM 1542 CG GLU A 107 8.923 9.576 -10.360 1.00 72.31 C ATOM 1543 CD GLU A 107 8.655 11.000 -10.839 1.00 0.45 C ATOM 1544 OE1 GLU A 107 7.903 11.176 -11.822 1.00 11.01 O ATOM 1545 OE2 GLU A 107 9.146 11.950 -10.186 1.00 15.35 O ATOM 0 H GLU A 107 6.785 7.460 -8.210 1.00 52.43 H new ATOM 0 HA GLU A 107 7.574 10.086 -8.096 1.00 72.11 H new ATOM 0 HB2 GLU A 107 7.948 7.820 -9.619 1.00 11.03 H new ATOM 0 HB3 GLU A 107 6.979 8.762 -10.735 1.00 11.03 H new ATOM 0 HG2 GLU A 107 9.641 9.607 -9.541 1.00 72.31 H new ATOM 0 HG3 GLU A 107 9.386 9.011 -11.169 1.00 72.31 H new ATOM 1550 N ASN A 108 4.722 9.831 -9.727 1.00 3.25 N ATOM 1551 CA ASN A 108 3.504 10.543 -10.098 1.00 0.31 C ATOM 1552 C ASN A 108 2.871 11.378 -8.974 1.00 44.30 C ATOM 1553 O ASN A 108 2.235 12.389 -9.268 1.00 62.13 O ATOM 1554 CB ASN A 108 2.548 9.578 -10.812 1.00 42.14 C ATOM 1555 CG ASN A 108 1.151 9.700 -10.273 1.00 55.00 C ATOM 1556 OD1 ASN A 108 0.268 10.371 -10.798 1.00 54.32 O ATOM 1557 ND2 ASN A 108 0.965 9.093 -9.125 1.00 11.24 N ATOM 0 H ASN A 108 4.670 8.829 -9.909 1.00 3.25 H new ATOM 0 HA ASN A 108 3.776 11.325 -10.807 1.00 0.31 H new ATOM 0 HB2 ASN A 108 2.548 9.787 -11.882 1.00 42.14 H new ATOM 0 HB3 ASN A 108 2.901 8.554 -10.688 1.00 42.14 H new ATOM 0 HD21 ASN A 108 0.068 9.172 -8.646 1.00 11.24 H new ATOM 0 HD22 ASN A 108 1.717 8.542 -8.712 1.00 11.24 H new ATOM 1563 N TYR A 109 3.027 11.029 -7.695 1.00 1.14 N ATOM 1564 CA TYR A 109 2.416 11.811 -6.631 1.00 25.22 C ATOM 1565 C TYR A 109 3.201 13.078 -6.472 1.00 13.24 C ATOM 1566 O TYR A 109 2.599 14.134 -6.394 1.00 43.30 O ATOM 1567 CB TYR A 109 2.333 11.067 -5.298 1.00 25.24 C ATOM 1568 CG TYR A 109 1.146 10.130 -5.301 1.00 3.23 C ATOM 1569 CD1 TYR A 109 -0.166 10.642 -5.261 1.00 73.13 C ATOM 1570 CD2 TYR A 109 1.355 8.760 -5.501 1.00 4.01 C ATOM 1571 CE1 TYR A 109 -1.261 9.785 -5.479 1.00 4.43 C ATOM 1572 CE2 TYR A 109 0.271 7.901 -5.722 1.00 73.41 C ATOM 1573 CZ TYR A 109 -1.046 8.413 -5.734 1.00 44.00 C ATOM 1574 OH TYR A 109 -2.084 7.592 -6.031 1.00 53.33 O ATOM 0 H TYR A 109 3.564 10.221 -7.379 1.00 1.14 H new ATOM 0 HA TYR A 109 1.385 12.018 -6.917 1.00 25.22 H new ATOM 0 HB2 TYR A 109 3.251 10.504 -5.129 1.00 25.24 H new ATOM 0 HB3 TYR A 109 2.241 11.781 -4.479 1.00 25.24 H new ATOM 0 HD1 TYR A 109 -0.331 11.691 -5.063 1.00 73.13 H new ATOM 0 HD2 TYR A 109 2.359 8.363 -5.485 1.00 4.01 H new ATOM 0 HE1 TYR A 109 -2.267 10.177 -5.451 1.00 4.43 H new ATOM 0 HE2 TYR A 109 0.442 6.847 -5.883 1.00 73.41 H new ATOM 0 HH TYR A 109 -1.768 6.665 -6.067 1.00 53.33 H new ATOM 1583 N LEU A 110 4.524 12.997 -6.465 1.00 62.33 N ATOM 1584 CA LEU A 110 5.396 14.150 -6.313 1.00 21.51 C ATOM 1585 C LEU A 110 5.024 15.240 -7.325 1.00 5.05 C ATOM 1586 O LEU A 110 4.882 16.408 -6.940 1.00 50.02 O ATOM 1587 CB LEU A 110 6.848 13.681 -6.460 1.00 21.12 C ATOM 1588 CG LEU A 110 7.327 12.684 -5.393 1.00 44.42 C ATOM 1589 CD1 LEU A 110 7.068 13.126 -3.952 1.00 50.23 C ATOM 1590 CD2 LEU A 110 6.784 11.285 -5.547 1.00 4.43 C ATOM 0 H LEU A 110 5.027 12.116 -6.566 1.00 62.33 H new ATOM 0 HA LEU A 110 5.276 14.596 -5.325 1.00 21.51 H new ATOM 0 HB2 LEU A 110 6.967 13.222 -7.442 1.00 21.12 H new ATOM 0 HB3 LEU A 110 7.499 14.555 -6.436 1.00 21.12 H new ATOM 0 HG LEU A 110 8.401 12.671 -5.579 1.00 44.42 H new ATOM 0 HD11 LEU A 110 7.437 12.364 -3.266 1.00 50.23 H new ATOM 0 HD12 LEU A 110 7.585 14.067 -3.762 1.00 50.23 H new ATOM 0 HD13 LEU A 110 5.997 13.263 -3.800 1.00 50.23 H new ATOM 0 HD21 LEU A 110 7.176 10.653 -4.750 1.00 4.43 H new ATOM 0 HD22 LEU A 110 5.696 11.309 -5.489 1.00 4.43 H new ATOM 0 HD23 LEU A 110 7.087 10.881 -6.513 1.00 4.43 H new ATOM 1601 N ALA A 111 4.760 14.831 -8.571 1.00 11.05 N ATOM 1602 CA ALA A 111 4.225 15.653 -9.644 1.00 15.34 C ATOM 1603 C ALA A 111 2.852 16.228 -9.275 1.00 1.04 C ATOM 1604 O ALA A 111 2.723 17.435 -9.042 1.00 53.44 O ATOM 1605 CB ALA A 111 4.160 14.821 -10.937 1.00 44.03 C ATOM 0 H ALA A 111 4.925 13.868 -8.865 1.00 11.05 H new ATOM 0 HA ALA A 111 4.887 16.503 -9.805 1.00 15.34 H new ATOM 0 HB1 ALA A 111 3.759 15.434 -11.744 1.00 44.03 H new ATOM 0 HB2 ALA A 111 5.161 14.482 -11.202 1.00 44.03 H new ATOM 0 HB3 ALA A 111 3.513 13.957 -10.782 1.00 44.03 H new ATOM 1611 N ARG A 112 1.808 15.389 -9.233 1.00 43.30 N ATOM 1612 CA ARG A 112 0.431 15.875 -9.098 1.00 72.11 C ATOM 1613 C ARG A 112 0.218 16.608 -7.771 1.00 70.10 C ATOM 1614 O ARG A 112 -0.548 17.561 -7.724 1.00 54.02 O ATOM 1615 CB ARG A 112 -0.581 14.728 -9.268 1.00 41.43 C ATOM 1616 CG ARG A 112 -0.445 13.942 -10.585 1.00 5.33 C ATOM 1617 CD ARG A 112 -1.775 13.394 -11.123 1.00 51.32 C ATOM 1618 NE ARG A 112 -2.599 14.469 -11.697 1.00 74.22 N ATOM 1619 CZ ARG A 112 -3.888 14.384 -12.044 1.00 62.24 C ATOM 1620 NH1 ARG A 112 -4.563 13.244 -11.995 1.00 71.44 N ATOM 1621 NH2 ARG A 112 -4.507 15.476 -12.474 1.00 74.42 N ATOM 0 H ARG A 112 1.892 14.374 -9.290 1.00 43.30 H new ATOM 0 HA ARG A 112 0.260 16.595 -9.898 1.00 72.11 H new ATOM 0 HB2 ARG A 112 -0.469 14.035 -8.434 1.00 41.43 H new ATOM 0 HB3 ARG A 112 -1.589 15.139 -9.208 1.00 41.43 H new ATOM 0 HG2 ARG A 112 0.001 14.590 -11.339 1.00 5.33 H new ATOM 0 HG3 ARG A 112 0.243 13.111 -10.431 1.00 5.33 H new ATOM 0 HD2 ARG A 112 -1.579 12.637 -11.883 1.00 51.32 H new ATOM 0 HD3 ARG A 112 -2.322 12.903 -10.318 1.00 51.32 H new ATOM 0 HE ARG A 112 -2.142 15.369 -11.845 1.00 74.22 H new ATOM 0 HH11 ARG A 112 -4.100 12.390 -11.684 1.00 71.44 H new ATOM 0 HH12 ARG A 112 -5.545 13.221 -12.268 1.00 71.44 H new ATOM 0 HH21 ARG A 112 -4.000 16.359 -12.535 1.00 74.42 H new ATOM 0 HH22 ARG A 112 -5.490 15.432 -12.744 1.00 74.42 H new ATOM 1632 N LEU A 113 0.944 16.258 -6.712 1.00 24.33 N ATOM 1633 CA LEU A 113 0.960 16.934 -5.419 1.00 1.24 C ATOM 1634 C LEU A 113 1.343 18.393 -5.594 1.00 30.34 C ATOM 1635 O LEU A 113 0.649 19.279 -5.082 1.00 73.43 O ATOM 1636 CB LEU A 113 1.949 16.226 -4.474 1.00 23.54 C ATOM 1637 CG LEU A 113 2.186 16.913 -3.122 1.00 2.14 C ATOM 1638 CD1 LEU A 113 0.881 17.185 -2.398 1.00 10.43 C ATOM 1639 CD2 LEU A 113 3.043 16.035 -2.215 1.00 34.44 C ATOM 0 H LEU A 113 1.570 15.453 -6.735 1.00 24.33 H new ATOM 0 HA LEU A 113 -0.037 16.891 -4.981 1.00 1.24 H new ATOM 0 HB2 LEU A 113 1.585 15.215 -4.288 1.00 23.54 H new ATOM 0 HB3 LEU A 113 2.907 16.131 -4.985 1.00 23.54 H new ATOM 0 HG LEU A 113 2.692 17.855 -3.335 1.00 2.14 H new ATOM 0 HD11 LEU A 113 1.088 17.672 -1.445 1.00 10.43 H new ATOM 0 HD12 LEU A 113 0.255 17.835 -3.009 1.00 10.43 H new ATOM 0 HD13 LEU A 113 0.361 16.244 -2.219 1.00 10.43 H new ATOM 0 HD21 LEU A 113 3.199 16.540 -1.262 1.00 34.44 H new ATOM 0 HD22 LEU A 113 2.536 15.085 -2.044 1.00 34.44 H new ATOM 0 HD23 LEU A 113 4.006 15.852 -2.691 1.00 34.44 H new ATOM 1650 N ARG A 114 2.429 18.677 -6.323 1.00 32.22 N ATOM 1651 CA ARG A 114 2.793 20.056 -6.611 1.00 31.25 C ATOM 1652 C ARG A 114 1.677 20.748 -7.370 1.00 14.04 C ATOM 1653 O ARG A 114 1.337 21.889 -7.043 1.00 44.31 O ATOM 1654 CB ARG A 114 4.106 20.115 -7.405 1.00 23.45 C ATOM 1655 CG ARG A 114 5.211 20.791 -6.591 1.00 2.22 C ATOM 1656 CD ARG A 114 6.555 20.593 -7.283 1.00 73.43 C ATOM 1657 NE ARG A 114 7.467 21.712 -7.018 1.00 71.34 N ATOM 1658 CZ ARG A 114 8.294 21.897 -5.985 1.00 23.12 C ATOM 1659 NH1 ARG A 114 8.457 20.962 -5.051 1.00 53.33 N ATOM 1660 NH2 ARG A 114 8.949 23.048 -5.908 1.00 51.45 N ATOM 0 H ARG A 114 3.058 17.977 -6.716 1.00 32.22 H new ATOM 0 HA ARG A 114 2.944 20.578 -5.666 1.00 31.25 H new ATOM 0 HB2 ARG A 114 4.416 19.106 -7.677 1.00 23.45 H new ATOM 0 HB3 ARG A 114 3.948 20.662 -8.335 1.00 23.45 H new ATOM 0 HG2 ARG A 114 4.999 21.855 -6.486 1.00 2.22 H new ATOM 0 HG3 ARG A 114 5.244 20.371 -5.586 1.00 2.22 H new ATOM 0 HD2 ARG A 114 7.009 19.663 -6.939 1.00 73.43 H new ATOM 0 HD3 ARG A 114 6.401 20.494 -8.358 1.00 73.43 H new ATOM 0 HE ARG A 114 7.470 22.452 -7.720 1.00 71.34 H new ATOM 0 HH11 ARG A 114 7.945 20.082 -5.115 1.00 53.33 H new ATOM 0 HH12 ARG A 114 9.094 21.126 -4.271 1.00 53.33 H new ATOM 0 HH21 ARG A 114 8.814 23.761 -6.625 1.00 51.45 H new ATOM 0 HH22 ARG A 114 9.588 23.220 -5.132 1.00 51.45 H new ATOM 1671 N ALA A 115 1.080 20.058 -8.342 1.00 54.42 N ATOM 1672 CA ALA A 115 -0.007 20.616 -9.119 1.00 4.11 C ATOM 1673 C ALA A 115 -1.238 20.909 -8.255 1.00 61.31 C ATOM 1674 O ALA A 115 -1.987 21.826 -8.583 1.00 1.35 O ATOM 1675 CB ALA A 115 -0.364 19.689 -10.285 1.00 65.32 C ATOM 0 H ALA A 115 1.339 19.107 -8.605 1.00 54.42 H new ATOM 0 HA ALA A 115 0.334 21.569 -9.524 1.00 4.11 H new ATOM 0 HB1 ALA A 115 -1.183 20.124 -10.858 1.00 65.32 H new ATOM 0 HB2 ALA A 115 0.505 19.565 -10.931 1.00 65.32 H new ATOM 0 HB3 ALA A 115 -0.669 18.717 -9.897 1.00 65.32 H new ATOM 1681 N ALA A 116 -1.435 20.184 -7.150 1.00 33.43 N ATOM 1682 CA ALA A 116 -2.699 20.109 -6.433 1.00 4.11 C ATOM 1683 C ALA A 116 -2.781 21.083 -5.267 1.00 50.41 C ATOM 1684 O ALA A 116 -3.867 21.300 -4.732 1.00 62.13 O ATOM 1685 CB ALA A 116 -2.947 18.678 -5.955 1.00 11.43 C ATOM 0 H ALA A 116 -0.699 19.622 -6.724 1.00 33.43 H new ATOM 0 HA ALA A 116 -3.480 20.401 -7.135 1.00 4.11 H new ATOM 0 HB1 ALA A 116 -3.895 18.632 -5.420 1.00 11.43 H new ATOM 0 HB2 ALA A 116 -2.983 18.008 -6.814 1.00 11.43 H new ATOM 0 HB3 ALA A 116 -2.140 18.372 -5.290 1.00 11.43 H new ATOM 1691 N LYS A 117 -1.652 21.706 -4.920 1.00 33.45 N ATOM 1692 CA LYS A 117 -1.471 22.536 -3.742 1.00 25.52 C ATOM 1693 C LYS A 117 -1.951 21.790 -2.490 1.00 63.11 C ATOM 1694 O LYS A 117 -2.870 22.222 -1.789 1.00 14.05 O ATOM 1695 CB LYS A 117 -2.089 23.936 -3.934 1.00 74.30 C ATOM 1696 CG LYS A 117 -1.549 24.669 -5.180 1.00 64.34 C ATOM 1697 CD LYS A 117 -2.393 24.461 -6.450 1.00 70.13 C ATOM 1698 CE LYS A 117 -3.714 25.235 -6.460 1.00 61.51 C ATOM 1699 NZ LYS A 117 -3.557 26.644 -6.893 1.00 31.21 N ATOM 0 H LYS A 117 -0.804 21.638 -5.483 1.00 33.45 H new ATOM 0 HA LYS A 117 -0.408 22.726 -3.590 1.00 25.52 H new ATOM 0 HB2 LYS A 117 -3.172 23.841 -4.016 1.00 74.30 H new ATOM 0 HB3 LYS A 117 -1.889 24.540 -3.049 1.00 74.30 H new ATOM 0 HG2 LYS A 117 -1.494 25.736 -4.965 1.00 64.34 H new ATOM 0 HG3 LYS A 117 -0.531 24.330 -5.374 1.00 64.34 H new ATOM 0 HD2 LYS A 117 -1.804 24.759 -7.317 1.00 70.13 H new ATOM 0 HD3 LYS A 117 -2.607 23.398 -6.560 1.00 70.13 H new ATOM 0 HE2 LYS A 117 -4.418 24.733 -7.124 1.00 61.51 H new ATOM 0 HE3 LYS A 117 -4.148 25.214 -5.461 1.00 61.51 H new ATOM 0 HZ1 LYS A 117 -4.483 27.117 -6.880 1.00 31.21 H new ATOM 0 HZ2 LYS A 117 -2.908 27.136 -6.246 1.00 31.21 H new ATOM 0 HZ3 LYS A 117 -3.169 26.670 -7.858 1.00 31.21 H new ATOM 1709 N ALA A 118 -1.318 20.637 -2.247 1.00 2.43 N ATOM 1710 CA ALA A 118 -1.568 19.824 -1.055 1.00 54.14 C ATOM 1711 C ALA A 118 -0.311 19.682 -0.188 1.00 62.40 C ATOM 1712 O ALA A 118 0.784 20.075 -0.601 1.00 50.30 O ATOM 1713 CB ALA A 118 -2.168 18.469 -1.449 1.00 3.31 C ATOM 0 H ALA A 118 -0.617 20.242 -2.874 1.00 2.43 H new ATOM 0 HA ALA A 118 -2.302 20.340 -0.436 1.00 54.14 H new ATOM 0 HB1 ALA A 118 -2.348 17.876 -0.552 1.00 3.31 H new ATOM 0 HB2 ALA A 118 -3.110 18.627 -1.975 1.00 3.31 H new ATOM 0 HB3 ALA A 118 -1.473 17.939 -2.101 1.00 3.31 H new ATOM 1719 N SER A 119 -0.485 19.119 1.010 1.00 62.10 N ATOM 1720 CA SER A 119 0.520 19.002 2.068 1.00 72.30 C ATOM 1721 C SER A 119 1.608 17.976 1.727 1.00 64.33 C ATOM 1722 O SER A 119 1.370 17.015 0.995 1.00 64.54 O ATOM 1723 CB SER A 119 -0.178 18.581 3.369 1.00 74.34 C ATOM 1724 OG SER A 119 -1.415 19.255 3.541 1.00 4.23 O ATOM 0 H SER A 119 -1.379 18.711 1.282 1.00 62.10 H new ATOM 0 HA SER A 119 1.005 19.972 2.178 1.00 72.30 H new ATOM 0 HB2 SER A 119 -0.348 17.504 3.359 1.00 74.34 H new ATOM 0 HB3 SER A 119 0.473 18.793 4.217 1.00 74.34 H new ATOM 0 HG SER A 119 -1.833 18.962 4.378 1.00 4.23 H new ATOM 1729 N ARG A 120 2.798 18.137 2.312 1.00 11.44 N ATOM 1730 CA ARG A 120 4.011 17.381 2.020 1.00 24.53 C ATOM 1731 C ARG A 120 4.636 16.954 3.352 1.00 34.42 C ATOM 1732 O ARG A 120 5.727 17.398 3.723 1.00 4.33 O ATOM 1733 CB ARG A 120 4.987 18.209 1.152 1.00 5.31 C ATOM 1734 CG ARG A 120 4.374 19.075 0.037 1.00 10.41 C ATOM 1735 CD ARG A 120 4.119 20.514 0.516 1.00 13.32 C ATOM 1736 NE ARG A 120 3.311 21.264 -0.455 1.00 44.24 N ATOM 1737 CZ ARG A 120 3.245 22.589 -0.631 1.00 72.20 C ATOM 1738 NH1 ARG A 120 3.968 23.434 0.088 1.00 43.45 N ATOM 1739 NH2 ARG A 120 2.408 23.058 -1.540 1.00 24.43 N ATOM 0 H ARG A 120 2.945 18.836 3.040 1.00 11.44 H new ATOM 0 HA ARG A 120 3.773 16.492 1.437 1.00 24.53 H new ATOM 0 HB2 ARG A 120 5.556 18.862 1.813 1.00 5.31 H new ATOM 0 HB3 ARG A 120 5.698 17.522 0.694 1.00 5.31 H new ATOM 0 HG2 ARG A 120 5.044 19.090 -0.823 1.00 10.41 H new ATOM 0 HG3 ARG A 120 3.437 18.630 -0.297 1.00 10.41 H new ATOM 0 HD2 ARG A 120 3.609 20.494 1.479 1.00 13.32 H new ATOM 0 HD3 ARG A 120 5.071 21.022 0.670 1.00 13.32 H new ATOM 0 HE ARG A 120 2.726 20.703 -1.074 1.00 44.24 H new ATOM 0 HH11 ARG A 120 4.602 23.081 0.805 1.00 43.45 H new ATOM 0 HH12 ARG A 120 3.891 24.438 -0.075 1.00 43.45 H new ATOM 0 HH21 ARG A 120 1.834 22.415 -2.085 1.00 24.43 H new ATOM 0 HH22 ARG A 120 2.336 24.063 -1.696 1.00 24.43 H new ATOM 1750 N GLU A 121 3.910 16.145 4.119 1.00 24.13 N ATOM 1751 CA GLU A 121 4.390 15.593 5.383 1.00 5.12 C ATOM 1752 C GLU A 121 5.689 14.799 5.141 1.00 64.54 C ATOM 1753 O GLU A 121 5.983 14.426 3.998 1.00 21.51 O ATOM 1754 CB GLU A 121 3.290 14.717 5.998 1.00 13.34 C ATOM 1755 CG GLU A 121 1.952 15.433 6.221 1.00 4.12 C ATOM 1756 CD GLU A 121 2.063 16.716 7.053 1.00 31.34 C ATOM 1757 OE1 GLU A 121 2.064 16.627 8.299 1.00 51.04 O ATOM 1758 OE2 GLU A 121 2.133 17.830 6.488 1.00 30.53 O ATOM 0 H GLU A 121 2.963 15.851 3.879 1.00 24.13 H new ATOM 0 HA GLU A 121 4.619 16.394 6.086 1.00 5.12 H new ATOM 0 HB2 GLU A 121 3.123 13.858 5.349 1.00 13.34 H new ATOM 0 HB3 GLU A 121 3.644 14.331 6.954 1.00 13.34 H new ATOM 0 HG2 GLU A 121 1.516 15.677 5.252 1.00 4.12 H new ATOM 0 HG3 GLU A 121 1.264 14.749 6.717 1.00 4.12 H new ATOM 1763 N PRO A 122 6.494 14.546 6.182 1.00 30.14 N ATOM 1764 CA PRO A 122 7.736 13.803 6.027 1.00 13.11 C ATOM 1765 C PRO A 122 7.435 12.340 5.692 1.00 13.43 C ATOM 1766 O PRO A 122 6.407 11.825 6.118 1.00 64.32 O ATOM 1767 CB PRO A 122 8.463 13.967 7.364 1.00 71.45 C ATOM 1768 CG PRO A 122 7.358 14.233 8.377 1.00 61.25 C ATOM 1769 CD PRO A 122 6.265 14.925 7.569 1.00 54.44 C ATOM 0 HA PRO A 122 8.355 14.167 5.207 1.00 13.11 H new ATOM 0 HB2 PRO A 122 9.027 13.070 7.620 1.00 71.45 H new ATOM 0 HB3 PRO A 122 9.175 14.792 7.329 1.00 71.45 H new ATOM 0 HG2 PRO A 122 6.996 13.307 8.824 1.00 61.25 H new ATOM 0 HG3 PRO A 122 7.710 14.864 9.193 1.00 61.25 H new ATOM 0 HD2 PRO A 122 5.275 14.611 7.901 1.00 54.44 H new ATOM 0 HD3 PRO A 122 6.314 16.007 7.692 1.00 54.44 H new ATOM 1774 N LEU A 123 8.310 11.681 4.928 1.00 10.13 N ATOM 1775 CA LEU A 123 8.224 10.254 4.607 1.00 44.05 C ATOM 1776 C LEU A 123 9.566 9.578 4.313 1.00 53.15 C ATOM 1777 O LEU A 123 9.625 8.381 4.031 1.00 41.21 O ATOM 1778 CB LEU A 123 7.167 9.958 3.531 1.00 50.31 C ATOM 1779 CG LEU A 123 7.428 10.333 2.061 1.00 34.50 C ATOM 1780 CD1 LEU A 123 8.102 11.694 1.984 1.00 32.11 C ATOM 1781 CD2 LEU A 123 8.257 9.288 1.304 1.00 53.22 C ATOM 0 H LEU A 123 9.118 12.137 4.505 1.00 10.13 H new ATOM 0 HA LEU A 123 7.884 9.787 5.531 1.00 44.05 H new ATOM 0 HB2 LEU A 123 6.968 8.887 3.560 1.00 50.31 H new ATOM 0 HB3 LEU A 123 6.249 10.461 3.834 1.00 50.31 H new ATOM 0 HG LEU A 123 6.455 10.369 1.570 1.00 34.50 H new ATOM 0 HD11 LEU A 123 8.283 11.952 0.941 1.00 32.11 H new ATOM 0 HD12 LEU A 123 7.456 12.446 2.437 1.00 32.11 H new ATOM 0 HD13 LEU A 123 9.051 11.661 2.520 1.00 32.11 H new ATOM 0 HD21 LEU A 123 8.403 9.616 0.275 1.00 53.22 H new ATOM 0 HD22 LEU A 123 9.226 9.172 1.789 1.00 53.22 H new ATOM 0 HD23 LEU A 123 7.731 8.333 1.310 1.00 53.22 H new ATOM 1792 N ILE A 124 10.638 10.363 4.341 1.00 22.23 N ATOM 1793 CA ILE A 124 11.940 10.017 3.798 1.00 34.10 C ATOM 1794 C ILE A 124 12.575 8.950 4.678 1.00 10.22 C ATOM 1795 O ILE A 124 12.372 8.908 5.895 1.00 54.23 O ATOM 1796 CB ILE A 124 12.845 11.274 3.667 1.00 64.42 C ATOM 1797 CG1 ILE A 124 12.080 12.527 3.189 1.00 30.31 C ATOM 1798 CG2 ILE A 124 14.010 11.057 2.690 1.00 52.42 C ATOM 1799 CD1 ILE A 124 11.478 13.337 4.344 1.00 53.45 C ATOM 0 H ILE A 124 10.619 11.293 4.760 1.00 22.23 H new ATOM 0 HA ILE A 124 11.820 9.616 2.792 1.00 34.10 H new ATOM 0 HB ILE A 124 13.219 11.436 4.678 1.00 64.42 H new ATOM 0 HG12 ILE A 124 12.757 13.164 2.619 1.00 30.31 H new ATOM 0 HG13 ILE A 124 11.282 12.223 2.511 1.00 30.31 H new ATOM 0 HG21 ILE A 124 14.612 11.964 2.634 1.00 52.42 H new ATOM 0 HG22 ILE A 124 14.630 10.231 3.040 1.00 52.42 H new ATOM 0 HG23 ILE A 124 13.617 10.821 1.701 1.00 52.42 H new ATOM 0 HD11 ILE A 124 10.953 14.205 3.945 1.00 53.45 H new ATOM 0 HD12 ILE A 124 10.778 12.713 4.900 1.00 53.45 H new ATOM 0 HD13 ILE A 124 12.275 13.669 5.009 1.00 53.45 H new ATOM 1810 N ASP A 125 13.396 8.127 4.053 1.00 61.52 N ATOM 1811 CA ASP A 125 14.424 7.338 4.686 1.00 50.32 C ATOM 1812 C ASP A 125 15.549 7.173 3.672 1.00 14.00 C ATOM 1813 O ASP A 125 15.322 7.345 2.471 1.00 61.34 O ATOM 1814 CB ASP A 125 13.853 5.985 5.090 1.00 5.31 C ATOM 1815 CG ASP A 125 14.854 5.267 5.989 1.00 12.40 C ATOM 1816 OD1 ASP A 125 15.066 5.747 7.130 1.00 74.45 O ATOM 1817 OD2 ASP A 125 15.462 4.273 5.530 1.00 51.03 O ATOM 0 H ASP A 125 13.359 7.987 3.043 1.00 61.52 H new ATOM 0 HA ASP A 125 14.799 7.821 5.588 1.00 50.32 H new ATOM 0 HB2 ASP A 125 12.906 6.118 5.613 1.00 5.31 H new ATOM 0 HB3 ASP A 125 13.646 5.385 4.204 1.00 5.31 H new ATOM 1821 N MET A 126 16.742 6.818 4.146 1.00 64.35 N ATOM 1822 CA MET A 126 17.907 6.511 3.319 1.00 24.13 C ATOM 1823 C MET A 126 17.646 5.266 2.466 1.00 74.13 C ATOM 1824 O MET A 126 18.199 5.145 1.379 1.00 52.13 O ATOM 1825 CB MET A 126 19.121 6.281 4.245 1.00 33.24 C ATOM 1826 CG MET A 126 19.809 7.568 4.729 1.00 1.00 C ATOM 1827 SD MET A 126 18.756 8.907 5.359 1.00 11.01 S ATOM 1828 CE MET A 126 18.125 8.224 6.907 1.00 5.10 C ATOM 0 H MET A 126 16.930 6.734 5.145 1.00 64.35 H new ATOM 0 HA MET A 126 18.108 7.344 2.645 1.00 24.13 H new ATOM 0 HB2 MET A 126 18.795 5.710 5.114 1.00 33.24 H new ATOM 0 HB3 MET A 126 19.853 5.669 3.718 1.00 33.24 H new ATOM 0 HG2 MET A 126 20.512 7.296 5.517 1.00 1.00 H new ATOM 0 HG3 MET A 126 20.396 7.965 3.901 1.00 1.00 H new ATOM 0 HE1 MET A 126 17.086 8.524 7.040 1.00 5.10 H new ATOM 0 HE2 MET A 126 18.188 7.136 6.877 1.00 5.10 H new ATOM 0 HE3 MET A 126 18.720 8.599 7.740 1.00 5.10 H new ATOM 1836 N ALA A 127 16.832 4.321 2.959 1.00 62.13 N ATOM 1837 CA ALA A 127 16.607 3.012 2.349 1.00 14.32 C ATOM 1838 C ALA A 127 17.904 2.256 2.021 1.00 13.33 C ATOM 1839 O ALA A 127 17.926 1.359 1.172 1.00 75.21 O ATOM 1840 CB ALA A 127 15.655 3.138 1.155 1.00 11.14 C ATOM 0 H ALA A 127 16.299 4.455 3.818 1.00 62.13 H new ATOM 0 HA ALA A 127 16.119 2.383 3.094 1.00 14.32 H new ATOM 0 HB1 ALA A 127 15.497 2.155 0.711 1.00 11.14 H new ATOM 0 HB2 ALA A 127 14.700 3.542 1.492 1.00 11.14 H new ATOM 0 HB3 ALA A 127 16.090 3.806 0.412 1.00 11.14 H new ATOM 1846 N VAL A 128 18.972 2.582 2.740 1.00 23.22 N ATOM 1847 CA VAL A 128 20.240 1.885 2.767 1.00 63.24 C ATOM 1848 C VAL A 128 20.149 0.849 3.896 1.00 64.25 C ATOM 1849 O VAL A 128 19.357 0.970 4.839 1.00 22.24 O ATOM 1850 CB VAL A 128 21.372 2.928 2.956 1.00 33.50 C ATOM 1851 CG1 VAL A 128 22.759 2.300 3.145 1.00 55.22 C ATOM 1852 CG2 VAL A 128 21.473 3.864 1.740 1.00 44.24 C ATOM 0 H VAL A 128 18.969 3.394 3.358 1.00 23.22 H new ATOM 0 HA VAL A 128 20.467 1.356 1.841 1.00 63.24 H new ATOM 0 HB VAL A 128 21.097 3.470 3.861 1.00 33.50 H new ATOM 0 HG11 VAL A 128 23.501 3.088 3.271 1.00 55.22 H new ATOM 0 HG12 VAL A 128 22.752 1.663 4.029 1.00 55.22 H new ATOM 0 HG13 VAL A 128 23.010 1.702 2.269 1.00 55.22 H new ATOM 0 HG21 VAL A 128 22.275 4.584 1.901 1.00 44.24 H new ATOM 0 HG22 VAL A 128 21.686 3.278 0.846 1.00 44.24 H new ATOM 0 HG23 VAL A 128 20.530 4.394 1.610 1.00 44.24 H new ATOM 1862 N LYS A 129 20.973 -0.188 3.789 1.00 20.23 N ATOM 1863 CA LYS A 129 21.266 -1.174 4.813 1.00 40.42 C ATOM 1864 C LYS A 129 22.746 -1.518 4.695 1.00 75.11 C ATOM 1865 O LYS A 129 23.366 -1.238 3.661 1.00 2.40 O ATOM 1866 CB LYS A 129 20.318 -2.381 4.680 1.00 0.42 C ATOM 1867 CG LYS A 129 20.270 -3.098 3.321 1.00 23.50 C ATOM 1868 CD LYS A 129 21.434 -4.064 3.072 1.00 41.03 C ATOM 1869 CE LYS A 129 21.651 -4.310 1.577 1.00 64.45 C ATOM 1870 NZ LYS A 129 20.511 -5.009 0.957 1.00 21.32 N ATOM 0 H LYS A 129 21.486 -0.370 2.926 1.00 20.23 H new ATOM 0 HA LYS A 129 21.088 -0.792 5.818 1.00 40.42 H new ATOM 0 HB2 LYS A 129 20.597 -3.113 5.437 1.00 0.42 H new ATOM 0 HB3 LYS A 129 19.309 -2.045 4.919 1.00 0.42 H new ATOM 0 HG2 LYS A 129 19.333 -3.651 3.249 1.00 23.50 H new ATOM 0 HG3 LYS A 129 20.260 -2.349 2.529 1.00 23.50 H new ATOM 0 HD2 LYS A 129 22.345 -3.657 3.511 1.00 41.03 H new ATOM 0 HD3 LYS A 129 21.235 -5.012 3.572 1.00 41.03 H new ATOM 0 HE2 LYS A 129 21.808 -3.357 1.073 1.00 64.45 H new ATOM 0 HE3 LYS A 129 22.557 -4.899 1.435 1.00 64.45 H new ATOM 0 HZ1 LYS A 129 20.702 -5.154 -0.055 1.00 21.32 H new ATOM 0 HZ2 LYS A 129 20.376 -5.931 1.420 1.00 21.32 H new ATOM 0 HZ3 LYS A 129 19.650 -4.436 1.068 1.00 21.32 H new ATOM 1880 N TYR A 130 23.294 -2.141 5.731 1.00 0.24 N ATOM 1881 CA TYR A 130 24.671 -2.603 5.811 1.00 52.14 C ATOM 1882 C TYR A 130 24.602 -4.031 6.369 1.00 40.25 C ATOM 1883 O TYR A 130 24.869 -4.248 7.551 1.00 42.03 O ATOM 1884 CB TYR A 130 25.495 -1.666 6.709 1.00 21.32 C ATOM 1885 CG TYR A 130 26.125 -0.449 6.053 1.00 33.24 C ATOM 1886 CD1 TYR A 130 25.347 0.542 5.429 1.00 41.33 C ATOM 1887 CD2 TYR A 130 27.511 -0.262 6.159 1.00 55.24 C ATOM 1888 CE1 TYR A 130 25.951 1.696 4.896 1.00 22.41 C ATOM 1889 CE2 TYR A 130 28.130 0.882 5.626 1.00 62.25 C ATOM 1890 CZ TYR A 130 27.353 1.858 4.969 1.00 34.53 C ATOM 1891 OH TYR A 130 27.954 2.934 4.397 1.00 20.54 O ATOM 0 H TYR A 130 22.764 -2.347 6.578 1.00 0.24 H new ATOM 0 HA TYR A 130 25.166 -2.599 4.840 1.00 52.14 H new ATOM 0 HB2 TYR A 130 24.850 -1.318 7.516 1.00 21.32 H new ATOM 0 HB3 TYR A 130 26.291 -2.252 7.168 1.00 21.32 H new ATOM 0 HD1 TYR A 130 24.277 0.417 5.358 1.00 41.33 H new ATOM 0 HD2 TYR A 130 28.112 -1.008 6.658 1.00 55.24 H new ATOM 0 HE1 TYR A 130 25.343 2.458 4.431 1.00 22.41 H new ATOM 0 HE2 TYR A 130 29.198 1.013 5.720 1.00 62.25 H new ATOM 0 HH TYR A 130 28.922 2.885 4.545 1.00 20.54 H new ATOM 1900 N HIS A 131 24.137 -4.980 5.554 1.00 13.10 N ATOM 1901 CA HIS A 131 23.980 -6.400 5.866 1.00 21.22 C ATOM 1902 C HIS A 131 24.024 -7.198 4.553 1.00 3.43 C ATOM 1903 O HIS A 131 23.987 -6.614 3.462 1.00 72.35 O ATOM 1904 CB HIS A 131 22.652 -6.637 6.609 1.00 75.32 C ATOM 1905 CG HIS A 131 22.731 -6.366 8.091 1.00 1.42 C ATOM 1906 ND1 HIS A 131 23.385 -7.155 9.007 1.00 61.32 N ATOM 1907 CD2 HIS A 131 22.182 -5.308 8.767 1.00 32.44 C ATOM 1908 CE1 HIS A 131 23.208 -6.602 10.218 1.00 64.42 C ATOM 1909 NE2 HIS A 131 22.466 -5.482 10.130 1.00 23.52 N ATOM 0 H HIS A 131 23.843 -4.764 4.602 1.00 13.10 H new ATOM 0 HA HIS A 131 24.789 -6.732 6.517 1.00 21.22 H new ATOM 0 HB2 HIS A 131 21.883 -6.000 6.172 1.00 75.32 H new ATOM 0 HB3 HIS A 131 22.338 -7.669 6.453 1.00 75.32 H new ATOM 0 HD2 HIS A 131 21.631 -4.489 8.330 1.00 32.44 H new ATOM 0 HE1 HIS A 131 23.607 -7.002 11.138 1.00 64.42 H new ATOM 0 HE2 HIS A 131 22.170 -4.881 10.899 1.00 23.52 H new ATOM 1916 N THR A 132 24.056 -8.528 4.629 1.00 42.31 N ATOM 1917 CA THR A 132 24.167 -9.418 3.478 1.00 44.03 C ATOM 1918 C THR A 132 23.128 -10.532 3.597 1.00 23.11 C ATOM 1919 O THR A 132 22.676 -10.856 4.716 1.00 4.42 O ATOM 1920 CB THR A 132 25.641 -9.854 3.329 1.00 12.12 C ATOM 1921 OG1 THR A 132 25.889 -10.438 2.065 1.00 61.22 O ATOM 1922 CG2 THR A 132 26.152 -10.781 4.438 1.00 15.34 C ATOM 0 H THR A 132 24.004 -9.027 5.517 1.00 42.31 H new ATOM 0 HA THR A 132 23.924 -8.927 2.536 1.00 44.03 H new ATOM 0 HB THR A 132 26.204 -8.925 3.422 1.00 12.12 H new ATOM 0 HG1 THR A 132 26.831 -10.700 2.005 1.00 61.22 H new ATOM 0 HG21 THR A 132 27.195 -11.034 4.249 1.00 15.34 H new ATOM 0 HG22 THR A 132 26.070 -10.276 5.401 1.00 15.34 H new ATOM 0 HG23 THR A 132 25.555 -11.693 4.454 1.00 15.34 H new TER 1930 THR A 132