USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 965 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 43 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 69 MET CE :methyl -126:sc= -0.874 (180deg=-1.07) USER MOD Set 2.1: A 12 THR OG1 : rot 73:sc= 0.282 USER MOD Set 2.2: A 56 MET CE :methyl 160:sc= 0 (180deg=-0.136) USER MOD Set 3.1: A 23 ASN : amide:sc= 0.966 K(o=2.2,f=-2.2) USER MOD Set 3.2: A 91 LYS NZ :NH3+ -139:sc= 1.2 (180deg=0.431) USER MOD Set 4.1: A 20 GLN : amide:sc= -0.0924 K(o=-0.71,f=-1.3) USER MOD Set 4.2: A 21 ASN : amide:sc= -0.618 K(o=-0.71,f=-0.16) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 154:sc= 0.902 (180deg=0.201!) USER MOD Single : A 3 SER OG : rot 180:sc= -0.0608 USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 GLN : amide:sc= -0.041 X(o=-0.041,f=-0.35) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 164:sc= 0.36 (180deg=0.221) USER MOD Single : A 10 LYS NZ :NH3+ -133:sc= 0.823 (180deg=0.00218) USER MOD Single : A 16 LYS NZ :NH3+ 167:sc= -0.0127 (180deg=-0.197) USER MOD Single : A 27 LYS NZ :NH3+ 164:sc= 0.499 (180deg=0.37) USER MOD Single : A 31 LYS NZ :NH3+ 160:sc= 0.852 (180deg=0.454) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 MET CE :methyl -132:sc= -2.34 (180deg=-3.07!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -3.1! C(o=-3.1!,f=-4.7!) USER MOD Single : A 41 LYS NZ :NH3+ 148:sc= -2.32! (180deg=-3.5!) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 48 THR OG1 : rot 73:sc= 0.0569 USER MOD Single : A 49 MET CE :methyl 169:sc= -0.581 (180deg=-0.906) USER MOD Single : A 50 LYS NZ :NH3+ -110:sc= 0.919 (180deg=-0.233) USER MOD Single : A 53 THR OG1 : rot -76:sc= -1.71! USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot -68:sc= 1.26 USER MOD Single : A 70 ASN : amide:sc= -0.237 X(o=-0.24,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl -125:sc= -1.72 (180deg=-4.24!) USER MOD Single : A 77 ASN : amide:sc= -0.216 K(o=-0.22,f=-2.2!) USER MOD Single : A 78 SER OG : rot 83:sc= 0.61 USER MOD Single : A 81 LYS NZ :NH3+ -145:sc= 1.13 (180deg=0.363) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 165:sc= -0.0223 (180deg=-0.216) USER MOD Single : A 92 LYS NZ :NH3+ -174:sc= -0.0138 (180deg=-0.0983) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl -161:sc= -0.185 (180deg=-0.668) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.521 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 26:sc= 0.453 USER MOD Single : A 108 SER OG : rot -25:sc= 0.426 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.215 9.064 29.123 1.00 0.00 N ATOM 2 CA MET A 1 -15.578 8.830 27.694 1.00 52.33 C ATOM 3 C MET A 1 -15.107 7.428 27.236 1.00 13.32 C ATOM 4 O MET A 1 -14.262 6.807 27.894 1.00 13.40 O ATOM 5 CB MET A 1 -14.974 9.939 26.784 1.00 10.41 C ATOM 6 CG MET A 1 -15.408 11.370 27.147 1.00 53.32 C ATOM 7 SD MET A 1 -14.822 11.886 28.779 1.00 54.01 S ATOM 8 CE MET A 1 -15.601 13.492 28.953 1.00 50.03 C ATOM 0 H1 MET A 1 -15.121 10.085 29.294 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.959 8.677 29.738 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.312 8.593 29.333 1.00 0.00 H new ATOM 0 HA MET A 1 -16.664 8.872 27.605 1.00 52.33 H new ATOM 0 HB2 MET A 1 -13.887 9.879 26.833 1.00 10.41 H new ATOM 0 HB3 MET A 1 -15.258 9.738 25.751 1.00 10.41 H new ATOM 0 HG2 MET A 1 -15.030 12.062 26.394 1.00 53.32 H new ATOM 0 HG3 MET A 1 -16.496 11.433 27.120 1.00 53.32 H new ATOM 0 HE1 MET A 1 -15.327 13.927 29.914 1.00 50.03 H new ATOM 0 HE2 MET A 1 -15.266 14.148 28.149 1.00 50.03 H new ATOM 0 HE3 MET A 1 -16.684 13.379 28.902 1.00 50.03 H new ATOM 20 N GLY A 2 -15.657 6.937 26.105 1.00 52.10 N ATOM 21 CA GLY A 2 -15.317 5.602 25.584 1.00 54.31 C ATOM 22 C GLY A 2 -15.415 5.502 24.056 1.00 71.52 C ATOM 23 O GLY A 2 -16.485 5.746 23.488 1.00 51.13 O ATOM 0 H GLY A 2 -16.336 7.446 25.539 1.00 52.10 H new ATOM 0 HA2 GLY A 2 -14.304 5.347 25.893 1.00 54.31 H new ATOM 0 HA3 GLY A 2 -15.983 4.865 26.033 1.00 54.31 H new ATOM 27 N SER A 3 -14.296 5.151 23.388 1.00 41.51 N ATOM 28 CA SER A 3 -14.250 4.933 21.915 1.00 63.31 C ATOM 29 C SER A 3 -14.511 3.444 21.570 1.00 73.10 C ATOM 30 O SER A 3 -14.574 2.588 22.465 1.00 51.13 O ATOM 31 CB SER A 3 -12.874 5.388 21.363 1.00 5.42 C ATOM 32 OG SER A 3 -12.802 5.299 19.948 1.00 44.41 O ATOM 0 H SER A 3 -13.397 5.009 23.848 1.00 41.51 H new ATOM 0 HA SER A 3 -15.035 5.527 21.447 1.00 63.31 H new ATOM 0 HB2 SER A 3 -12.685 6.417 21.670 1.00 5.42 H new ATOM 0 HB3 SER A 3 -12.088 4.774 21.803 1.00 5.42 H new ATOM 0 HG SER A 3 -11.919 5.597 19.646 1.00 44.41 H new ATOM 38 N HIS A 4 -14.668 3.141 20.270 1.00 22.13 N ATOM 39 CA HIS A 4 -14.926 1.766 19.783 1.00 61.05 C ATOM 40 C HIS A 4 -13.600 1.000 19.544 1.00 54.22 C ATOM 41 O HIS A 4 -12.933 1.198 18.522 1.00 13.30 O ATOM 42 CB HIS A 4 -15.788 1.795 18.493 1.00 34.22 C ATOM 43 CG HIS A 4 -17.146 2.425 18.678 1.00 63.34 C ATOM 44 ND1 HIS A 4 -18.215 1.750 19.228 1.00 53.22 N ATOM 45 CD2 HIS A 4 -17.606 3.670 18.394 1.00 62.11 C ATOM 46 CE1 HIS A 4 -19.262 2.545 19.272 1.00 53.22 C ATOM 47 NE2 HIS A 4 -18.922 3.714 18.777 1.00 1.42 N ATOM 0 H HIS A 4 -14.621 3.837 19.526 1.00 22.13 H new ATOM 0 HA HIS A 4 -15.483 1.234 20.554 1.00 61.05 H new ATOM 0 HB2 HIS A 4 -15.248 2.341 17.719 1.00 34.22 H new ATOM 0 HB3 HIS A 4 -15.918 0.775 18.132 1.00 34.22 H new ATOM 0 HD2 HIS A 4 -17.041 4.476 17.949 1.00 62.11 H new ATOM 0 HE1 HIS A 4 -20.238 2.281 19.652 1.00 53.22 H new ATOM 0 HE2 HIS A 4 -19.537 4.523 18.692 1.00 1.42 H new ATOM 56 N GLN A 5 -13.226 0.130 20.502 1.00 74.15 N ATOM 57 CA GLN A 5 -12.005 -0.703 20.410 1.00 11.42 C ATOM 58 C GLN A 5 -12.140 -1.802 19.330 1.00 41.33 C ATOM 59 O GLN A 5 -11.150 -2.193 18.712 1.00 34.45 O ATOM 60 CB GLN A 5 -11.675 -1.341 21.790 1.00 12.30 C ATOM 61 CG GLN A 5 -11.325 -0.322 22.900 1.00 1.42 C ATOM 62 CD GLN A 5 -10.067 0.513 22.611 1.00 32.21 C ATOM 63 OE1 GLN A 5 -9.138 0.065 21.943 1.00 63.40 O ATOM 64 NE2 GLN A 5 -10.027 1.732 23.115 1.00 34.50 N ATOM 0 H GLN A 5 -13.758 -0.017 21.360 1.00 74.15 H new ATOM 0 HA GLN A 5 -11.185 -0.048 20.116 1.00 11.42 H new ATOM 0 HB2 GLN A 5 -12.529 -1.935 22.115 1.00 12.30 H new ATOM 0 HB3 GLN A 5 -10.838 -2.028 21.668 1.00 12.30 H new ATOM 0 HG2 GLN A 5 -12.171 0.351 23.040 1.00 1.42 H new ATOM 0 HG3 GLN A 5 -11.185 -0.858 23.839 1.00 1.42 H new ATOM 0 HE21 GLN A 5 -10.811 2.082 23.666 1.00 34.50 H new ATOM 0 HE22 GLN A 5 -9.213 2.324 22.953 1.00 34.50 H new ATOM 73 N GLU A 6 -13.378 -2.282 19.116 1.00 44.41 N ATOM 74 CA GLU A 6 -13.698 -3.277 18.062 1.00 44.02 C ATOM 75 C GLU A 6 -13.409 -2.713 16.638 1.00 41.34 C ATOM 76 O GLU A 6 -13.021 -3.452 15.727 1.00 5.53 O ATOM 77 CB GLU A 6 -15.183 -3.710 18.189 1.00 5.42 C ATOM 78 CG GLU A 6 -15.617 -4.877 17.274 1.00 22.12 C ATOM 79 CD GLU A 6 -14.827 -6.176 17.531 1.00 61.34 C ATOM 80 OE1 GLU A 6 -15.013 -6.791 18.606 1.00 41.12 O ATOM 81 OE2 GLU A 6 -14.003 -6.576 16.675 1.00 30.22 O ATOM 0 H GLU A 6 -14.188 -1.995 19.665 1.00 44.41 H new ATOM 0 HA GLU A 6 -13.056 -4.147 18.203 1.00 44.02 H new ATOM 0 HB2 GLU A 6 -15.373 -3.993 19.224 1.00 5.42 H new ATOM 0 HB3 GLU A 6 -15.814 -2.848 17.973 1.00 5.42 H new ATOM 0 HG2 GLU A 6 -16.680 -5.070 17.422 1.00 22.12 H new ATOM 0 HG3 GLU A 6 -15.489 -4.581 16.233 1.00 22.12 H new ATOM 88 N TYR A 7 -13.601 -1.389 16.484 1.00 70.44 N ATOM 89 CA TYR A 7 -13.251 -0.644 15.250 1.00 65.32 C ATOM 90 C TYR A 7 -11.715 -0.591 15.056 1.00 3.15 C ATOM 91 O TYR A 7 -11.222 -0.783 13.949 1.00 14.55 O ATOM 92 CB TYR A 7 -13.847 0.790 15.322 1.00 43.31 C ATOM 93 CG TYR A 7 -13.486 1.726 14.145 1.00 52.12 C ATOM 94 CD1 TYR A 7 -14.221 1.711 12.956 1.00 34.32 C ATOM 95 CD2 TYR A 7 -12.406 2.618 14.225 1.00 42.01 C ATOM 96 CE1 TYR A 7 -13.898 2.547 11.902 1.00 50.22 C ATOM 97 CE2 TYR A 7 -12.082 3.453 13.173 1.00 65.13 C ATOM 98 CZ TYR A 7 -12.828 3.414 12.013 1.00 34.12 C ATOM 99 OH TYR A 7 -12.498 4.246 10.963 1.00 62.53 O ATOM 0 H TYR A 7 -14.005 -0.800 17.212 1.00 70.44 H new ATOM 0 HA TYR A 7 -13.676 -1.163 14.391 1.00 65.32 H new ATOM 0 HB2 TYR A 7 -14.933 0.710 15.379 1.00 43.31 H new ATOM 0 HB3 TYR A 7 -13.513 1.256 16.249 1.00 43.31 H new ATOM 0 HD1 TYR A 7 -15.057 1.034 12.858 1.00 34.32 H new ATOM 0 HD2 TYR A 7 -11.815 2.653 15.128 1.00 42.01 H new ATOM 0 HE1 TYR A 7 -14.482 2.522 10.994 1.00 50.22 H new ATOM 0 HE2 TYR A 7 -11.248 4.134 13.258 1.00 65.13 H new ATOM 0 HH TYR A 7 -11.721 4.791 11.209 1.00 62.53 H new ATOM 109 N ILE A 8 -10.976 -0.336 16.151 1.00 41.43 N ATOM 110 CA ILE A 8 -9.488 -0.294 16.138 1.00 32.22 C ATOM 111 C ILE A 8 -8.896 -1.667 15.698 1.00 23.12 C ATOM 112 O ILE A 8 -7.961 -1.730 14.881 1.00 41.22 O ATOM 113 CB ILE A 8 -8.927 0.122 17.554 1.00 12.41 C ATOM 114 CG1 ILE A 8 -9.488 1.519 17.996 1.00 42.10 C ATOM 115 CG2 ILE A 8 -7.374 0.105 17.583 1.00 42.35 C ATOM 116 CD1 ILE A 8 -9.156 2.677 17.062 1.00 24.31 C ATOM 0 H ILE A 8 -11.383 -0.153 17.068 1.00 41.43 H new ATOM 0 HA ILE A 8 -9.180 0.458 15.412 1.00 32.22 H new ATOM 0 HB ILE A 8 -9.273 -0.621 18.273 1.00 12.41 H new ATOM 0 HG12 ILE A 8 -10.572 1.445 18.086 1.00 42.10 H new ATOM 0 HG13 ILE A 8 -9.101 1.751 18.988 1.00 42.10 H new ATOM 0 HG21 ILE A 8 -7.025 0.397 18.574 1.00 42.35 H new ATOM 0 HG22 ILE A 8 -7.017 -0.899 17.354 1.00 42.35 H new ATOM 0 HG23 ILE A 8 -6.989 0.805 16.842 1.00 42.35 H new ATOM 0 HD11 ILE A 8 -9.588 3.597 17.455 1.00 24.31 H new ATOM 0 HD12 ILE A 8 -8.074 2.787 16.989 1.00 24.31 H new ATOM 0 HD13 ILE A 8 -9.568 2.476 16.073 1.00 24.31 H new ATOM 128 N LYS A 9 -9.483 -2.747 16.237 1.00 24.21 N ATOM 129 CA LYS A 9 -9.194 -4.138 15.819 1.00 41.41 C ATOM 130 C LYS A 9 -9.515 -4.354 14.316 1.00 73.24 C ATOM 131 O LYS A 9 -8.749 -4.996 13.589 1.00 62.40 O ATOM 132 CB LYS A 9 -10.060 -5.118 16.646 1.00 55.43 C ATOM 133 CG LYS A 9 -9.822 -5.111 18.173 1.00 41.22 C ATOM 134 CD LYS A 9 -10.928 -5.891 18.936 1.00 42.21 C ATOM 135 CE LYS A 9 -11.078 -7.354 18.459 1.00 54.40 C ATOM 136 NZ LYS A 9 -12.274 -8.015 19.040 1.00 4.33 N ATOM 0 H LYS A 9 -10.178 -2.685 16.981 1.00 24.21 H new ATOM 0 HA LYS A 9 -8.133 -4.322 15.986 1.00 41.41 H new ATOM 0 HB2 LYS A 9 -11.109 -4.889 16.461 1.00 55.43 H new ATOM 0 HB3 LYS A 9 -9.884 -6.128 16.276 1.00 55.43 H new ATOM 0 HG2 LYS A 9 -8.850 -5.553 18.391 1.00 41.22 H new ATOM 0 HG3 LYS A 9 -9.791 -4.082 18.531 1.00 41.22 H new ATOM 0 HD2 LYS A 9 -10.699 -5.884 20.002 1.00 42.21 H new ATOM 0 HD3 LYS A 9 -11.880 -5.375 18.811 1.00 42.21 H new ATOM 0 HE2 LYS A 9 -11.147 -7.374 17.371 1.00 54.40 H new ATOM 0 HE3 LYS A 9 -10.185 -7.917 18.733 1.00 54.40 H new ATOM 0 HZ1 LYS A 9 -12.490 -8.878 18.501 1.00 4.33 H new ATOM 0 HZ2 LYS A 9 -12.085 -8.265 20.032 1.00 4.33 H new ATOM 0 HZ3 LYS A 9 -13.086 -7.366 18.995 1.00 4.33 H new ATOM 150 N LYS A 10 -10.673 -3.809 13.881 1.00 42.20 N ATOM 151 CA LYS A 10 -11.213 -4.023 12.516 1.00 22.45 C ATOM 152 C LYS A 10 -10.262 -3.450 11.448 1.00 1.40 C ATOM 153 O LYS A 10 -9.856 -4.158 10.543 1.00 15.24 O ATOM 154 CB LYS A 10 -12.630 -3.370 12.360 1.00 4.20 C ATOM 155 CG LYS A 10 -13.618 -4.175 11.478 1.00 5.21 C ATOM 156 CD LYS A 10 -14.106 -5.469 12.173 1.00 22.42 C ATOM 157 CE LYS A 10 -14.999 -5.186 13.399 1.00 35.30 C ATOM 158 NZ LYS A 10 -15.401 -6.433 14.098 1.00 62.30 N ATOM 0 H LYS A 10 -11.259 -3.210 14.463 1.00 42.20 H new ATOM 0 HA LYS A 10 -11.303 -5.099 12.369 1.00 22.45 H new ATOM 0 HB2 LYS A 10 -13.068 -3.243 13.350 1.00 4.20 H new ATOM 0 HB3 LYS A 10 -12.512 -2.374 11.934 1.00 4.20 H new ATOM 0 HG2 LYS A 10 -14.477 -3.550 11.235 1.00 5.21 H new ATOM 0 HG3 LYS A 10 -13.134 -4.432 10.536 1.00 5.21 H new ATOM 0 HD2 LYS A 10 -14.661 -6.074 11.456 1.00 22.42 H new ATOM 0 HD3 LYS A 10 -13.243 -6.057 12.485 1.00 22.42 H new ATOM 0 HE2 LYS A 10 -14.465 -4.538 14.094 1.00 35.30 H new ATOM 0 HE3 LYS A 10 -15.891 -4.646 13.080 1.00 35.30 H new ATOM 0 HZ1 LYS A 10 -16.422 -6.408 14.292 1.00 62.30 H new ATOM 0 HZ2 LYS A 10 -15.183 -7.253 13.497 1.00 62.30 H new ATOM 0 HZ3 LYS A 10 -14.880 -6.512 14.995 1.00 62.30 H new ATOM 172 N VAL A 11 -9.880 -2.171 11.630 1.00 14.31 N ATOM 173 CA VAL A 11 -9.023 -1.406 10.684 1.00 32.34 C ATOM 174 C VAL A 11 -7.631 -2.067 10.481 1.00 1.13 C ATOM 175 O VAL A 11 -7.007 -1.919 9.425 1.00 15.51 O ATOM 176 CB VAL A 11 -8.883 0.090 11.172 1.00 44.12 C ATOM 177 CG1 VAL A 11 -7.985 0.939 10.245 1.00 3.41 C ATOM 178 CG2 VAL A 11 -10.275 0.750 11.311 1.00 25.32 C ATOM 0 H VAL A 11 -10.158 -1.627 12.447 1.00 14.31 H new ATOM 0 HA VAL A 11 -9.512 -1.415 9.710 1.00 32.34 H new ATOM 0 HB VAL A 11 -8.398 0.055 12.148 1.00 44.12 H new ATOM 0 HG11 VAL A 11 -7.925 1.957 10.629 1.00 3.41 H new ATOM 0 HG12 VAL A 11 -6.986 0.505 10.209 1.00 3.41 H new ATOM 0 HG13 VAL A 11 -8.410 0.954 9.241 1.00 3.41 H new ATOM 0 HG21 VAL A 11 -10.157 1.780 11.648 1.00 25.32 H new ATOM 0 HG22 VAL A 11 -10.781 0.740 10.345 1.00 25.32 H new ATOM 0 HG23 VAL A 11 -10.869 0.196 12.038 1.00 25.32 H new ATOM 188 N THR A 12 -7.180 -2.824 11.494 1.00 23.34 N ATOM 189 CA THR A 12 -5.939 -3.629 11.416 1.00 22.41 C ATOM 190 C THR A 12 -6.094 -4.803 10.403 1.00 54.02 C ATOM 191 O THR A 12 -5.176 -5.105 9.631 1.00 2.51 O ATOM 192 CB THR A 12 -5.555 -4.199 12.825 1.00 3.11 C ATOM 193 OG1 THR A 12 -5.476 -3.131 13.786 1.00 61.34 O ATOM 194 CG2 THR A 12 -4.220 -4.961 12.803 1.00 21.22 C ATOM 0 H THR A 12 -7.660 -2.899 12.391 1.00 23.34 H new ATOM 0 HA THR A 12 -5.143 -2.970 11.070 1.00 22.41 H new ATOM 0 HB THR A 12 -6.338 -4.903 13.108 1.00 3.11 H new ATOM 0 HG1 THR A 12 -6.379 -2.820 14.004 1.00 61.34 H new ATOM 0 HG21 THR A 12 -3.999 -5.336 13.802 1.00 21.22 H new ATOM 0 HG22 THR A 12 -4.290 -5.798 12.109 1.00 21.22 H new ATOM 0 HG23 THR A 12 -3.423 -4.290 12.483 1.00 21.22 H new ATOM 202 N ASP A 13 -7.263 -5.466 10.437 1.00 11.14 N ATOM 203 CA ASP A 13 -7.607 -6.568 9.505 1.00 30.21 C ATOM 204 C ASP A 13 -8.022 -6.035 8.098 1.00 50.31 C ATOM 205 O ASP A 13 -7.789 -6.697 7.086 1.00 15.13 O ATOM 206 CB ASP A 13 -8.726 -7.436 10.130 1.00 10.21 C ATOM 207 CG ASP A 13 -9.074 -8.681 9.292 1.00 23.03 C ATOM 208 OD1 ASP A 13 -8.282 -9.648 9.301 1.00 65.33 O ATOM 209 OD2 ASP A 13 -10.146 -8.710 8.643 1.00 40.53 O ATOM 0 H ASP A 13 -8.000 -5.257 11.110 1.00 11.14 H new ATOM 0 HA ASP A 13 -6.719 -7.182 9.352 1.00 30.21 H new ATOM 0 HB2 ASP A 13 -8.417 -7.752 11.126 1.00 10.21 H new ATOM 0 HB3 ASP A 13 -9.622 -6.828 10.253 1.00 10.21 H new ATOM 214 N GLU A 14 -8.636 -4.833 8.052 1.00 64.43 N ATOM 215 CA GLU A 14 -8.990 -4.138 6.780 1.00 31.04 C ATOM 216 C GLU A 14 -7.707 -3.685 6.045 1.00 72.02 C ATOM 217 O GLU A 14 -7.662 -3.630 4.814 1.00 5.43 O ATOM 218 CB GLU A 14 -9.929 -2.928 7.065 1.00 4.41 C ATOM 219 CG GLU A 14 -11.234 -3.303 7.802 1.00 3.11 C ATOM 220 CD GLU A 14 -12.176 -2.113 8.052 1.00 34.14 C ATOM 221 OE1 GLU A 14 -12.032 -1.433 9.088 1.00 71.50 O ATOM 222 OE2 GLU A 14 -13.069 -1.860 7.212 1.00 70.54 O ATOM 0 H GLU A 14 -8.902 -4.313 8.888 1.00 64.43 H new ATOM 0 HA GLU A 14 -9.525 -4.834 6.134 1.00 31.04 H new ATOM 0 HB2 GLU A 14 -9.387 -2.193 7.660 1.00 4.41 H new ATOM 0 HB3 GLU A 14 -10.183 -2.448 6.120 1.00 4.41 H new ATOM 0 HG2 GLU A 14 -11.764 -4.057 7.220 1.00 3.11 H new ATOM 0 HG3 GLU A 14 -10.980 -3.760 8.759 1.00 3.11 H new ATOM 229 N LEU A 15 -6.666 -3.394 6.842 1.00 60.44 N ATOM 230 CA LEU A 15 -5.284 -3.166 6.368 1.00 71.54 C ATOM 231 C LEU A 15 -4.721 -4.438 5.665 1.00 54.10 C ATOM 232 O LEU A 15 -4.025 -4.330 4.657 1.00 25.44 O ATOM 233 CB LEU A 15 -4.419 -2.701 7.588 1.00 73.11 C ATOM 234 CG LEU A 15 -2.851 -2.607 7.433 1.00 41.24 C ATOM 235 CD1 LEU A 15 -2.270 -1.463 8.308 1.00 24.33 C ATOM 236 CD2 LEU A 15 -2.155 -3.950 7.800 1.00 50.04 C ATOM 0 H LEU A 15 -6.759 -3.308 7.854 1.00 60.44 H new ATOM 0 HA LEU A 15 -5.259 -2.381 5.612 1.00 71.54 H new ATOM 0 HB2 LEU A 15 -4.778 -1.716 7.888 1.00 73.11 H new ATOM 0 HB3 LEU A 15 -4.626 -3.381 8.414 1.00 73.11 H new ATOM 0 HG LEU A 15 -2.650 -2.390 6.384 1.00 41.24 H new ATOM 0 HD11 LEU A 15 -1.188 -1.422 8.181 1.00 24.33 H new ATOM 0 HD12 LEU A 15 -2.708 -0.513 8.002 1.00 24.33 H new ATOM 0 HD13 LEU A 15 -2.506 -1.651 9.356 1.00 24.33 H new ATOM 0 HD21 LEU A 15 -1.077 -3.845 7.681 1.00 50.04 H new ATOM 0 HD22 LEU A 15 -2.383 -4.207 8.835 1.00 50.04 H new ATOM 0 HD23 LEU A 15 -2.518 -4.740 7.142 1.00 50.04 H new ATOM 248 N LYS A 16 -5.059 -5.638 6.194 1.00 4.32 N ATOM 249 CA LYS A 16 -4.655 -6.941 5.580 1.00 35.54 C ATOM 250 C LYS A 16 -5.358 -7.168 4.219 1.00 32.31 C ATOM 251 O LYS A 16 -4.722 -7.552 3.226 1.00 31.32 O ATOM 252 CB LYS A 16 -4.982 -8.131 6.523 1.00 12.00 C ATOM 253 CG LYS A 16 -4.436 -8.012 7.959 1.00 5.54 C ATOM 254 CD LYS A 16 -2.922 -7.731 8.008 1.00 41.42 C ATOM 255 CE LYS A 16 -2.352 -7.797 9.430 1.00 65.21 C ATOM 256 NZ LYS A 16 -2.502 -9.150 10.036 1.00 34.23 N ATOM 0 H LYS A 16 -5.611 -5.738 7.046 1.00 4.32 H new ATOM 0 HA LYS A 16 -3.578 -6.893 5.420 1.00 35.54 H new ATOM 0 HB2 LYS A 16 -6.065 -8.244 6.573 1.00 12.00 H new ATOM 0 HB3 LYS A 16 -4.586 -9.044 6.077 1.00 12.00 H new ATOM 0 HG2 LYS A 16 -4.965 -7.212 8.477 1.00 5.54 H new ATOM 0 HG3 LYS A 16 -4.646 -8.935 8.499 1.00 5.54 H new ATOM 0 HD2 LYS A 16 -2.402 -8.454 7.379 1.00 41.42 H new ATOM 0 HD3 LYS A 16 -2.726 -6.744 7.588 1.00 41.42 H new ATOM 0 HE2 LYS A 16 -1.297 -7.525 9.409 1.00 65.21 H new ATOM 0 HE3 LYS A 16 -2.858 -7.062 10.057 1.00 65.21 H new ATOM 0 HZ1 LYS A 16 -1.917 -9.213 10.894 1.00 34.23 H new ATOM 0 HZ2 LYS A 16 -3.499 -9.311 10.284 1.00 34.23 H new ATOM 0 HZ3 LYS A 16 -2.194 -9.872 9.354 1.00 34.23 H new ATOM 270 N GLU A 17 -6.688 -6.918 4.208 1.00 43.40 N ATOM 271 CA GLU A 17 -7.544 -6.974 2.992 1.00 71.52 C ATOM 272 C GLU A 17 -7.034 -6.016 1.905 1.00 60.20 C ATOM 273 O GLU A 17 -7.135 -6.288 0.708 1.00 23.41 O ATOM 274 CB GLU A 17 -9.012 -6.611 3.354 1.00 14.45 C ATOM 275 CG GLU A 17 -9.647 -7.512 4.433 1.00 14.04 C ATOM 276 CD GLU A 17 -11.132 -7.196 4.688 1.00 3.55 C ATOM 277 OE1 GLU A 17 -11.978 -7.599 3.856 1.00 2.43 O ATOM 278 OE2 GLU A 17 -11.468 -6.554 5.711 1.00 43.04 O ATOM 0 H GLU A 17 -7.206 -6.669 5.051 1.00 43.40 H new ATOM 0 HA GLU A 17 -7.502 -7.991 2.603 1.00 71.52 H new ATOM 0 HB2 GLU A 17 -9.043 -5.577 3.698 1.00 14.45 H new ATOM 0 HB3 GLU A 17 -9.619 -6.665 2.451 1.00 14.45 H new ATOM 0 HG2 GLU A 17 -9.551 -8.555 4.130 1.00 14.04 H new ATOM 0 HG3 GLU A 17 -9.093 -7.399 5.365 1.00 14.04 H new ATOM 285 N LEU A 18 -6.456 -4.917 2.364 1.00 14.22 N ATOM 286 CA LEU A 18 -5.966 -3.839 1.512 1.00 21.24 C ATOM 287 C LEU A 18 -4.640 -4.230 0.824 1.00 3.22 C ATOM 288 O LEU A 18 -4.487 -4.051 -0.381 1.00 72.04 O ATOM 289 CB LEU A 18 -5.812 -2.563 2.382 1.00 33.12 C ATOM 290 CG LEU A 18 -6.021 -1.207 1.665 1.00 44.51 C ATOM 291 CD1 LEU A 18 -7.278 -1.253 0.777 1.00 70.52 C ATOM 292 CD2 LEU A 18 -6.108 -0.067 2.701 1.00 11.32 C ATOM 0 H LEU A 18 -6.310 -4.744 3.359 1.00 14.22 H new ATOM 0 HA LEU A 18 -6.679 -3.644 0.711 1.00 21.24 H new ATOM 0 HB2 LEU A 18 -6.522 -2.625 3.207 1.00 33.12 H new ATOM 0 HB3 LEU A 18 -4.814 -2.567 2.819 1.00 33.12 H new ATOM 0 HG LEU A 18 -5.165 -1.013 1.018 1.00 44.51 H new ATOM 0 HD11 LEU A 18 -7.409 -0.291 0.281 1.00 70.52 H new ATOM 0 HD12 LEU A 18 -7.165 -2.036 0.027 1.00 70.52 H new ATOM 0 HD13 LEU A 18 -8.152 -1.465 1.394 1.00 70.52 H new ATOM 0 HD21 LEU A 18 -6.255 0.882 2.186 1.00 11.32 H new ATOM 0 HD22 LEU A 18 -6.947 -0.249 3.373 1.00 11.32 H new ATOM 0 HD23 LEU A 18 -5.184 -0.028 3.277 1.00 11.32 H new ATOM 304 N ILE A 19 -3.696 -4.765 1.621 1.00 42.21 N ATOM 305 CA ILE A 19 -2.415 -5.337 1.123 1.00 74.52 C ATOM 306 C ILE A 19 -2.671 -6.458 0.077 1.00 53.45 C ATOM 307 O ILE A 19 -1.972 -6.549 -0.937 1.00 24.32 O ATOM 308 CB ILE A 19 -1.577 -5.899 2.342 1.00 33.12 C ATOM 309 CG1 ILE A 19 -1.167 -4.737 3.317 1.00 52.44 C ATOM 310 CG2 ILE A 19 -0.333 -6.715 1.891 1.00 74.31 C ATOM 311 CD1 ILE A 19 -0.659 -5.201 4.672 1.00 51.11 C ATOM 0 H ILE A 19 -3.794 -4.816 2.635 1.00 42.21 H new ATOM 0 HA ILE A 19 -1.849 -4.547 0.630 1.00 74.52 H new ATOM 0 HB ILE A 19 -2.224 -6.593 2.878 1.00 33.12 H new ATOM 0 HG12 ILE A 19 -0.394 -4.135 2.840 1.00 52.44 H new ATOM 0 HG13 ILE A 19 -2.028 -4.087 3.469 1.00 52.44 H new ATOM 0 HG21 ILE A 19 0.203 -7.076 2.769 1.00 74.31 H new ATOM 0 HG22 ILE A 19 -0.654 -7.564 1.288 1.00 74.31 H new ATOM 0 HG23 ILE A 19 0.325 -6.078 1.300 1.00 74.31 H new ATOM 0 HD11 ILE A 19 -0.399 -4.334 5.280 1.00 51.11 H new ATOM 0 HD12 ILE A 19 -1.436 -5.776 5.174 1.00 51.11 H new ATOM 0 HD13 ILE A 19 0.224 -5.826 4.535 1.00 51.11 H new ATOM 323 N GLN A 20 -3.714 -7.270 0.331 1.00 54.25 N ATOM 324 CA GLN A 20 -4.131 -8.374 -0.562 1.00 21.40 C ATOM 325 C GLN A 20 -4.701 -7.829 -1.900 1.00 53.22 C ATOM 326 O GLN A 20 -4.275 -8.260 -2.977 1.00 64.30 O ATOM 327 CB GLN A 20 -5.159 -9.291 0.179 1.00 53.21 C ATOM 328 CG GLN A 20 -5.554 -10.610 -0.552 1.00 51.42 C ATOM 329 CD GLN A 20 -6.640 -10.461 -1.630 1.00 71.11 C ATOM 330 OE1 GLN A 20 -7.514 -9.610 -1.531 1.00 21.43 O ATOM 331 NE2 GLN A 20 -6.595 -11.288 -2.657 1.00 44.22 N ATOM 0 H GLN A 20 -4.295 -7.181 1.164 1.00 54.25 H new ATOM 0 HA GLN A 20 -3.258 -8.975 -0.816 1.00 21.40 H new ATOM 0 HB2 GLN A 20 -4.747 -9.550 1.154 1.00 53.21 H new ATOM 0 HB3 GLN A 20 -6.066 -8.714 0.359 1.00 53.21 H new ATOM 0 HG2 GLN A 20 -4.661 -11.032 -1.014 1.00 51.42 H new ATOM 0 HG3 GLN A 20 -5.898 -11.329 0.191 1.00 51.42 H new ATOM 0 HE21 GLN A 20 -5.856 -11.988 -2.716 1.00 44.22 H new ATOM 0 HE22 GLN A 20 -7.299 -11.227 -3.392 1.00 44.22 H new ATOM 340 N ASN A 21 -5.658 -6.874 -1.814 1.00 24.43 N ATOM 341 CA ASN A 21 -6.306 -6.261 -3.011 1.00 23.40 C ATOM 342 C ASN A 21 -5.283 -5.551 -3.922 1.00 1.33 C ATOM 343 O ASN A 21 -5.286 -5.742 -5.140 1.00 63.21 O ATOM 344 CB ASN A 21 -7.422 -5.257 -2.595 1.00 73.21 C ATOM 345 CG ASN A 21 -8.747 -5.907 -2.174 1.00 44.42 C ATOM 346 OD1 ASN A 21 -9.815 -5.358 -2.416 1.00 51.03 O ATOM 347 ND2 ASN A 21 -8.708 -7.059 -1.533 1.00 65.00 N ATOM 0 H ASN A 21 -6.003 -6.507 -0.927 1.00 24.43 H new ATOM 0 HA ASN A 21 -6.755 -7.079 -3.575 1.00 23.40 H new ATOM 0 HB2 ASN A 21 -7.054 -4.648 -1.770 1.00 73.21 H new ATOM 0 HB3 ASN A 21 -7.613 -4.582 -3.429 1.00 73.21 H new ATOM 0 HD21 ASN A 21 -9.575 -7.505 -1.232 1.00 65.00 H new ATOM 0 HD22 ASN A 21 -7.811 -7.504 -1.339 1.00 65.00 H new ATOM 354 N VAL A 22 -4.414 -4.740 -3.300 1.00 35.34 N ATOM 355 CA VAL A 22 -3.329 -4.028 -3.998 1.00 32.42 C ATOM 356 C VAL A 22 -2.342 -5.009 -4.661 1.00 75.03 C ATOM 357 O VAL A 22 -1.972 -4.807 -5.804 1.00 41.23 O ATOM 358 CB VAL A 22 -2.564 -3.063 -3.021 1.00 34.11 C ATOM 359 CG1 VAL A 22 -1.291 -2.474 -3.655 1.00 31.40 C ATOM 360 CG2 VAL A 22 -3.488 -1.930 -2.553 1.00 15.22 C ATOM 0 H VAL A 22 -4.443 -4.558 -2.297 1.00 35.34 H new ATOM 0 HA VAL A 22 -3.791 -3.430 -4.784 1.00 32.42 H new ATOM 0 HB VAL A 22 -2.256 -3.660 -2.163 1.00 34.11 H new ATOM 0 HG11 VAL A 22 -0.800 -1.815 -2.939 1.00 31.40 H new ATOM 0 HG12 VAL A 22 -0.613 -3.283 -3.928 1.00 31.40 H new ATOM 0 HG13 VAL A 22 -1.558 -1.907 -4.547 1.00 31.40 H new ATOM 0 HG21 VAL A 22 -2.942 -1.271 -1.877 1.00 15.22 H new ATOM 0 HG22 VAL A 22 -3.831 -1.360 -3.417 1.00 15.22 H new ATOM 0 HG23 VAL A 22 -4.347 -2.353 -2.032 1.00 15.22 H new ATOM 370 N ASN A 23 -1.944 -6.083 -3.942 1.00 1.12 N ATOM 371 CA ASN A 23 -1.027 -7.125 -4.492 1.00 62.12 C ATOM 372 C ASN A 23 -1.651 -7.795 -5.748 1.00 53.52 C ATOM 373 O ASN A 23 -0.945 -8.108 -6.712 1.00 54.34 O ATOM 374 CB ASN A 23 -0.679 -8.213 -3.415 1.00 23.42 C ATOM 375 CG ASN A 23 0.829 -8.455 -3.265 1.00 34.10 C ATOM 376 OD1 ASN A 23 1.458 -9.086 -4.110 1.00 60.41 O ATOM 377 ND2 ASN A 23 1.410 -7.991 -2.175 1.00 0.43 N ATOM 0 H ASN A 23 -2.239 -6.257 -2.981 1.00 1.12 H new ATOM 0 HA ASN A 23 -0.101 -6.628 -4.779 1.00 62.12 H new ATOM 0 HB2 ASN A 23 -1.089 -7.906 -2.453 1.00 23.42 H new ATOM 0 HB3 ASN A 23 -1.166 -9.150 -3.684 1.00 23.42 H new ATOM 0 HD21 ASN A 23 2.405 -8.154 -2.019 1.00 0.43 H new ATOM 0 HD22 ASN A 23 0.864 -7.470 -1.489 1.00 0.43 H new ATOM 384 N ASP A 24 -2.989 -7.965 -5.710 1.00 21.54 N ATOM 385 CA ASP A 24 -3.777 -8.555 -6.810 1.00 63.50 C ATOM 386 C ASP A 24 -3.860 -7.594 -8.031 1.00 33.24 C ATOM 387 O ASP A 24 -3.814 -8.037 -9.190 1.00 21.32 O ATOM 388 CB ASP A 24 -5.185 -8.943 -6.286 1.00 43.43 C ATOM 389 CG ASP A 24 -6.034 -9.701 -7.322 1.00 64.43 C ATOM 390 OD1 ASP A 24 -5.639 -10.825 -7.709 1.00 4.42 O ATOM 391 OD2 ASP A 24 -7.095 -9.187 -7.741 1.00 13.00 O ATOM 0 H ASP A 24 -3.557 -7.694 -4.907 1.00 21.54 H new ATOM 0 HA ASP A 24 -3.275 -9.457 -7.161 1.00 63.50 H new ATOM 0 HB2 ASP A 24 -5.076 -9.561 -5.395 1.00 43.43 H new ATOM 0 HB3 ASP A 24 -5.714 -8.039 -5.984 1.00 43.43 H new ATOM 396 N ASP A 25 -3.962 -6.277 -7.751 1.00 22.00 N ATOM 397 CA ASP A 25 -3.900 -5.222 -8.786 1.00 45.04 C ATOM 398 C ASP A 25 -2.476 -5.118 -9.400 1.00 75.41 C ATOM 399 O ASP A 25 -2.318 -4.901 -10.611 1.00 53.15 O ATOM 400 CB ASP A 25 -4.321 -3.849 -8.195 1.00 54.25 C ATOM 401 CG ASP A 25 -5.791 -3.777 -7.735 1.00 53.41 C ATOM 402 OD1 ASP A 25 -6.685 -4.227 -8.485 1.00 64.33 O ATOM 403 OD2 ASP A 25 -6.064 -3.232 -6.638 1.00 62.11 O ATOM 0 H ASP A 25 -4.089 -5.916 -6.805 1.00 22.00 H new ATOM 0 HA ASP A 25 -4.597 -5.497 -9.578 1.00 45.04 H new ATOM 0 HB2 ASP A 25 -3.676 -3.619 -7.347 1.00 54.25 H new ATOM 0 HB3 ASP A 25 -4.149 -3.077 -8.945 1.00 54.25 H new ATOM 408 N ILE A 26 -1.448 -5.307 -8.548 1.00 44.52 N ATOM 409 CA ILE A 26 -0.025 -5.268 -8.957 1.00 63.14 C ATOM 410 C ILE A 26 0.302 -6.417 -9.940 1.00 62.14 C ATOM 411 O ILE A 26 1.074 -6.218 -10.861 1.00 32.01 O ATOM 412 CB ILE A 26 0.950 -5.315 -7.709 1.00 3.33 C ATOM 413 CG1 ILE A 26 0.844 -4.007 -6.857 1.00 32.01 C ATOM 414 CG2 ILE A 26 2.415 -5.568 -8.127 1.00 11.32 C ATOM 415 CD1 ILE A 26 1.655 -4.004 -5.567 1.00 24.13 C ATOM 0 H ILE A 26 -1.579 -5.492 -7.554 1.00 44.52 H new ATOM 0 HA ILE A 26 0.134 -4.318 -9.467 1.00 63.14 H new ATOM 0 HB ILE A 26 0.632 -6.156 -7.093 1.00 3.33 H new ATOM 0 HG12 ILE A 26 1.165 -3.166 -7.471 1.00 32.01 H new ATOM 0 HG13 ILE A 26 -0.204 -3.838 -6.609 1.00 32.01 H new ATOM 0 HG21 ILE A 26 3.048 -5.592 -7.240 1.00 11.32 H new ATOM 0 HG22 ILE A 26 2.485 -6.523 -8.649 1.00 11.32 H new ATOM 0 HG23 ILE A 26 2.748 -4.768 -8.788 1.00 11.32 H new ATOM 0 HD11 ILE A 26 1.514 -3.055 -5.051 1.00 24.13 H new ATOM 0 HD12 ILE A 26 1.321 -4.819 -4.925 1.00 24.13 H new ATOM 0 HD13 ILE A 26 2.711 -4.136 -5.801 1.00 24.13 H new ATOM 427 N LYS A 27 -0.319 -7.597 -9.741 1.00 70.23 N ATOM 428 CA LYS A 27 -0.183 -8.769 -10.660 1.00 52.00 C ATOM 429 C LYS A 27 -0.497 -8.397 -12.134 1.00 75.53 C ATOM 430 O LYS A 27 0.146 -8.887 -13.073 1.00 64.34 O ATOM 431 CB LYS A 27 -1.129 -9.902 -10.193 1.00 34.54 C ATOM 432 CG LYS A 27 -0.749 -10.562 -8.844 1.00 1.54 C ATOM 433 CD LYS A 27 -1.920 -11.367 -8.229 1.00 74.31 C ATOM 434 CE LYS A 27 -2.465 -12.472 -9.150 1.00 75.22 C ATOM 435 NZ LYS A 27 -3.740 -13.029 -8.637 1.00 3.42 N ATOM 0 H LYS A 27 -0.930 -7.775 -8.944 1.00 70.23 H new ATOM 0 HA LYS A 27 0.854 -9.103 -10.622 1.00 52.00 H new ATOM 0 HB2 LYS A 27 -2.139 -9.500 -10.111 1.00 34.54 H new ATOM 0 HB3 LYS A 27 -1.154 -10.673 -10.963 1.00 34.54 H new ATOM 0 HG2 LYS A 27 0.104 -11.224 -8.994 1.00 1.54 H new ATOM 0 HG3 LYS A 27 -0.434 -9.791 -8.141 1.00 1.54 H new ATOM 0 HD2 LYS A 27 -1.587 -11.818 -7.294 1.00 74.31 H new ATOM 0 HD3 LYS A 27 -2.730 -10.681 -7.982 1.00 74.31 H new ATOM 0 HE2 LYS A 27 -2.620 -12.069 -10.151 1.00 75.22 H new ATOM 0 HE3 LYS A 27 -1.728 -13.270 -9.238 1.00 75.22 H new ATOM 0 HZ1 LYS A 27 -4.215 -13.562 -9.393 1.00 3.42 H new ATOM 0 HZ2 LYS A 27 -3.545 -13.663 -7.836 1.00 3.42 H new ATOM 0 HZ3 LYS A 27 -4.356 -12.253 -8.321 1.00 3.42 H new ATOM 449 N GLU A 28 -1.488 -7.514 -12.310 1.00 60.51 N ATOM 450 CA GLU A 28 -1.894 -6.997 -13.631 1.00 45.12 C ATOM 451 C GLU A 28 -0.915 -5.927 -14.168 1.00 74.53 C ATOM 452 O GLU A 28 -0.817 -5.730 -15.382 1.00 23.43 O ATOM 453 CB GLU A 28 -3.334 -6.444 -13.559 1.00 5.05 C ATOM 454 CG GLU A 28 -4.390 -7.479 -13.109 1.00 15.33 C ATOM 455 CD GLU A 28 -4.439 -8.723 -14.021 1.00 51.44 C ATOM 456 OE1 GLU A 28 -4.884 -8.603 -15.183 1.00 40.11 O ATOM 457 OE2 GLU A 28 -4.005 -9.818 -13.595 1.00 34.13 O ATOM 0 H GLU A 28 -2.036 -7.134 -11.538 1.00 60.51 H new ATOM 0 HA GLU A 28 -1.865 -7.827 -14.337 1.00 45.12 H new ATOM 0 HB2 GLU A 28 -3.353 -5.600 -12.870 1.00 5.05 H new ATOM 0 HB3 GLU A 28 -3.613 -6.060 -14.540 1.00 5.05 H new ATOM 0 HG2 GLU A 28 -4.172 -7.792 -12.088 1.00 15.33 H new ATOM 0 HG3 GLU A 28 -5.372 -7.006 -13.095 1.00 15.33 H new ATOM 464 N VAL A 29 -0.215 -5.223 -13.263 1.00 71.20 N ATOM 465 CA VAL A 29 0.842 -4.258 -13.649 1.00 44.04 C ATOM 466 C VAL A 29 2.167 -4.987 -14.037 1.00 54.30 C ATOM 467 O VAL A 29 2.892 -4.555 -14.934 1.00 40.52 O ATOM 468 CB VAL A 29 1.148 -3.221 -12.522 1.00 22.20 C ATOM 469 CG1 VAL A 29 2.117 -2.157 -13.045 1.00 32.21 C ATOM 470 CG2 VAL A 29 -0.134 -2.556 -11.962 1.00 62.33 C ATOM 0 H VAL A 29 -0.358 -5.300 -12.256 1.00 71.20 H new ATOM 0 HA VAL A 29 0.451 -3.723 -14.514 1.00 44.04 H new ATOM 0 HB VAL A 29 1.608 -3.763 -11.696 1.00 22.20 H new ATOM 0 HG11 VAL A 29 2.327 -1.436 -12.255 1.00 32.21 H new ATOM 0 HG12 VAL A 29 3.046 -2.633 -13.358 1.00 32.21 H new ATOM 0 HG13 VAL A 29 1.669 -1.643 -13.895 1.00 32.21 H new ATOM 0 HG21 VAL A 29 0.136 -1.844 -11.182 1.00 62.33 H new ATOM 0 HG22 VAL A 29 -0.654 -2.034 -12.765 1.00 62.33 H new ATOM 0 HG23 VAL A 29 -0.788 -3.321 -11.544 1.00 62.33 H new ATOM 480 N GLU A 30 2.470 -6.095 -13.345 1.00 52.44 N ATOM 481 CA GLU A 30 3.601 -7.001 -13.688 1.00 14.04 C ATOM 482 C GLU A 30 3.397 -7.602 -15.103 1.00 14.40 C ATOM 483 O GLU A 30 4.345 -8.034 -15.769 1.00 63.11 O ATOM 484 CB GLU A 30 3.706 -8.122 -12.614 1.00 23.42 C ATOM 485 CG GLU A 30 3.949 -7.580 -11.177 1.00 32.22 C ATOM 486 CD GLU A 30 3.978 -8.659 -10.072 1.00 40.31 C ATOM 487 OE1 GLU A 30 5.059 -9.233 -9.808 1.00 44.42 O ATOM 488 OE2 GLU A 30 2.929 -8.927 -9.443 1.00 22.15 O ATOM 0 H GLU A 30 1.942 -6.398 -12.527 1.00 52.44 H new ATOM 0 HA GLU A 30 4.533 -6.436 -13.697 1.00 14.04 H new ATOM 0 HB2 GLU A 30 2.788 -8.710 -12.622 1.00 23.42 H new ATOM 0 HB3 GLU A 30 4.519 -8.797 -12.882 1.00 23.42 H new ATOM 0 HG2 GLU A 30 4.896 -7.041 -11.163 1.00 32.22 H new ATOM 0 HG3 GLU A 30 3.168 -6.858 -10.939 1.00 32.22 H new ATOM 495 N LYS A 31 2.128 -7.608 -15.530 1.00 32.14 N ATOM 496 CA LYS A 31 1.701 -7.996 -16.875 1.00 2.25 C ATOM 497 C LYS A 31 1.746 -6.778 -17.855 1.00 10.25 C ATOM 498 O LYS A 31 2.175 -6.900 -19.014 1.00 53.35 O ATOM 499 CB LYS A 31 0.256 -8.544 -16.768 1.00 42.13 C ATOM 500 CG LYS A 31 -0.188 -9.426 -17.938 1.00 70.44 C ATOM 501 CD LYS A 31 -1.693 -9.795 -17.869 1.00 54.21 C ATOM 502 CE LYS A 31 -2.074 -10.529 -16.565 1.00 44.40 C ATOM 503 NZ LYS A 31 -3.530 -10.793 -16.480 1.00 24.23 N ATOM 0 H LYS A 31 1.350 -7.335 -14.930 1.00 32.14 H new ATOM 0 HA LYS A 31 2.374 -8.755 -17.273 1.00 2.25 H new ATOM 0 HB2 LYS A 31 0.168 -9.118 -15.846 1.00 42.13 H new ATOM 0 HB3 LYS A 31 -0.431 -7.702 -16.686 1.00 42.13 H new ATOM 0 HG2 LYS A 31 0.013 -8.908 -18.876 1.00 70.44 H new ATOM 0 HG3 LYS A 31 0.406 -10.340 -17.945 1.00 70.44 H new ATOM 0 HD2 LYS A 31 -2.289 -8.886 -17.956 1.00 54.21 H new ATOM 0 HD3 LYS A 31 -1.947 -10.425 -18.722 1.00 54.21 H new ATOM 0 HE2 LYS A 31 -1.531 -11.472 -16.508 1.00 44.40 H new ATOM 0 HE3 LYS A 31 -1.764 -9.931 -15.708 1.00 44.40 H new ATOM 0 HZ1 LYS A 31 -3.705 -11.556 -15.795 1.00 24.23 H new ATOM 0 HZ2 LYS A 31 -4.022 -9.930 -16.171 1.00 24.23 H new ATOM 0 HZ3 LYS A 31 -3.886 -11.078 -17.415 1.00 24.23 H new ATOM 517 N ASN A 32 1.264 -5.609 -17.368 1.00 70.14 N ATOM 518 CA ASN A 32 1.136 -4.344 -18.154 1.00 3.43 C ATOM 519 C ASN A 32 1.546 -3.105 -17.294 1.00 0.33 C ATOM 520 O ASN A 32 0.701 -2.529 -16.597 1.00 55.21 O ATOM 521 CB ASN A 32 -0.316 -4.182 -18.683 1.00 24.33 C ATOM 522 CG ASN A 32 -0.686 -5.179 -19.774 1.00 24.10 C ATOM 523 OD1 ASN A 32 -1.190 -6.261 -19.504 1.00 64.21 O ATOM 524 ND2 ASN A 32 -0.418 -4.837 -21.019 1.00 60.23 N ATOM 0 H ASN A 32 0.947 -5.510 -16.404 1.00 70.14 H new ATOM 0 HA ASN A 32 1.815 -4.403 -19.005 1.00 3.43 H new ATOM 0 HB2 ASN A 32 -1.011 -4.293 -17.851 1.00 24.33 H new ATOM 0 HB3 ASN A 32 -0.441 -3.171 -19.070 1.00 24.33 H new ATOM 0 HD21 ASN A 32 -0.631 -5.480 -21.782 1.00 60.23 H new ATOM 0 HD22 ASN A 32 0.002 -3.929 -21.219 1.00 60.23 H new ATOM 531 N PRO A 33 2.866 -2.700 -17.309 1.00 41.31 N ATOM 532 CA PRO A 33 3.411 -1.640 -16.406 1.00 51.41 C ATOM 533 C PRO A 33 2.832 -0.211 -16.635 1.00 53.03 C ATOM 534 O PRO A 33 2.490 0.486 -15.672 1.00 53.35 O ATOM 535 CB PRO A 33 4.943 -1.692 -16.679 1.00 2.15 C ATOM 536 CG PRO A 33 5.066 -2.276 -18.052 1.00 3.21 C ATOM 537 CD PRO A 33 3.933 -3.270 -18.180 1.00 1.44 C ATOM 0 HA PRO A 33 3.134 -1.835 -15.370 1.00 51.41 H new ATOM 0 HB2 PRO A 33 5.388 -0.698 -16.630 1.00 2.15 H new ATOM 0 HB3 PRO A 33 5.456 -2.307 -15.940 1.00 2.15 H new ATOM 0 HG2 PRO A 33 4.994 -1.501 -18.815 1.00 3.21 H new ATOM 0 HG3 PRO A 33 6.031 -2.764 -18.184 1.00 3.21 H new ATOM 0 HD2 PRO A 33 3.599 -3.366 -19.213 1.00 1.44 H new ATOM 0 HD3 PRO A 33 4.233 -4.264 -17.848 1.00 1.44 H new ATOM 545 N GLU A 34 2.711 0.203 -17.909 1.00 42.52 N ATOM 546 CA GLU A 34 2.317 1.592 -18.283 1.00 23.15 C ATOM 547 C GLU A 34 0.783 1.823 -18.222 1.00 25.22 C ATOM 548 O GLU A 34 0.303 2.919 -18.545 1.00 64.10 O ATOM 549 CB GLU A 34 2.853 1.909 -19.702 1.00 13.30 C ATOM 550 CG GLU A 34 4.377 1.725 -19.873 1.00 74.43 C ATOM 551 CD GLU A 34 5.237 2.733 -19.088 1.00 72.15 C ATOM 552 OE1 GLU A 34 5.063 3.955 -19.287 1.00 63.33 O ATOM 553 OE2 GLU A 34 6.105 2.310 -18.289 1.00 65.31 O ATOM 0 H GLU A 34 2.880 -0.404 -18.711 1.00 42.52 H new ATOM 0 HA GLU A 34 2.759 2.268 -17.551 1.00 23.15 H new ATOM 0 HB2 GLU A 34 2.341 1.269 -20.420 1.00 13.30 H new ATOM 0 HB3 GLU A 34 2.595 2.938 -19.951 1.00 13.30 H new ATOM 0 HG2 GLU A 34 4.645 0.716 -19.559 1.00 74.43 H new ATOM 0 HG3 GLU A 34 4.623 1.805 -20.932 1.00 74.43 H new ATOM 560 N ASP A 35 0.019 0.793 -17.821 1.00 14.31 N ATOM 561 CA ASP A 35 -1.444 0.892 -17.658 1.00 2.04 C ATOM 562 C ASP A 35 -1.806 1.668 -16.362 1.00 35.42 C ATOM 563 O ASP A 35 -1.908 1.103 -15.265 1.00 42.31 O ATOM 564 CB ASP A 35 -2.070 -0.522 -17.709 1.00 2.43 C ATOM 565 CG ASP A 35 -2.115 -1.100 -19.143 1.00 21.23 C ATOM 566 OD1 ASP A 35 -1.056 -1.156 -19.816 1.00 62.12 O ATOM 567 OD2 ASP A 35 -3.207 -1.502 -19.610 1.00 74.52 O ATOM 0 H ASP A 35 0.395 -0.129 -17.601 1.00 14.31 H new ATOM 0 HA ASP A 35 -1.866 1.466 -18.482 1.00 2.04 H new ATOM 0 HB2 ASP A 35 -1.497 -1.193 -17.069 1.00 2.43 H new ATOM 0 HB3 ASP A 35 -3.082 -0.482 -17.305 1.00 2.43 H new ATOM 572 N MET A 36 -1.981 2.989 -16.536 1.00 13.31 N ATOM 573 CA MET A 36 -2.127 3.967 -15.435 1.00 4.41 C ATOM 574 C MET A 36 -3.439 3.811 -14.647 1.00 53.23 C ATOM 575 O MET A 36 -3.487 4.107 -13.451 1.00 60.44 O ATOM 576 CB MET A 36 -2.021 5.394 -16.017 1.00 44.15 C ATOM 577 CG MET A 36 -0.743 5.689 -16.831 1.00 52.30 C ATOM 578 SD MET A 36 0.730 5.972 -15.825 1.00 43.23 S ATOM 579 CE MET A 36 1.251 4.334 -15.298 1.00 75.45 C ATOM 0 H MET A 36 -2.026 3.418 -17.460 1.00 13.31 H new ATOM 0 HA MET A 36 -1.324 3.778 -14.722 1.00 4.41 H new ATOM 0 HB2 MET A 36 -2.886 5.572 -16.656 1.00 44.15 H new ATOM 0 HB3 MET A 36 -2.080 6.108 -15.195 1.00 44.15 H new ATOM 0 HG2 MET A 36 -0.554 4.853 -17.504 1.00 52.30 H new ATOM 0 HG3 MET A 36 -0.917 6.566 -17.454 1.00 52.30 H new ATOM 0 HE1 MET A 36 1.446 4.342 -14.226 1.00 75.45 H new ATOM 0 HE2 MET A 36 0.463 3.613 -15.518 1.00 75.45 H new ATOM 0 HE3 MET A 36 2.160 4.052 -15.830 1.00 75.45 H new ATOM 589 N GLU A 37 -4.493 3.362 -15.341 1.00 40.42 N ATOM 590 CA GLU A 37 -5.817 3.103 -14.735 1.00 64.13 C ATOM 591 C GLU A 37 -5.730 2.059 -13.580 1.00 12.13 C ATOM 592 O GLU A 37 -6.403 2.195 -12.549 1.00 4.52 O ATOM 593 CB GLU A 37 -6.818 2.646 -15.824 1.00 10.12 C ATOM 594 CG GLU A 37 -8.279 2.468 -15.349 1.00 23.42 C ATOM 595 CD GLU A 37 -8.964 3.789 -14.927 1.00 12.43 C ATOM 596 OE1 GLU A 37 -8.822 4.212 -13.756 1.00 40.41 O ATOM 597 OE2 GLU A 37 -9.645 4.416 -15.764 1.00 25.02 O ATOM 0 H GLU A 37 -4.457 3.166 -16.341 1.00 40.42 H new ATOM 0 HA GLU A 37 -6.176 4.034 -14.296 1.00 64.13 H new ATOM 0 HB2 GLU A 37 -6.804 3.374 -16.635 1.00 10.12 H new ATOM 0 HB3 GLU A 37 -6.471 1.700 -16.239 1.00 10.12 H new ATOM 0 HG2 GLU A 37 -8.858 2.009 -16.150 1.00 23.42 H new ATOM 0 HG3 GLU A 37 -8.296 1.776 -14.507 1.00 23.42 H new ATOM 604 N TYR A 38 -4.880 1.028 -13.759 1.00 41.02 N ATOM 605 CA TYR A 38 -4.616 0.009 -12.707 1.00 54.44 C ATOM 606 C TYR A 38 -3.724 0.558 -11.560 1.00 33.13 C ATOM 607 O TYR A 38 -3.821 0.092 -10.423 1.00 73.41 O ATOM 608 CB TYR A 38 -4.039 -1.308 -13.323 1.00 11.11 C ATOM 609 CG TYR A 38 -4.985 -2.500 -13.125 1.00 54.12 C ATOM 610 CD1 TYR A 38 -4.917 -3.284 -11.976 1.00 64.23 C ATOM 611 CD2 TYR A 38 -5.980 -2.800 -14.058 1.00 15.33 C ATOM 612 CE1 TYR A 38 -5.801 -4.321 -11.768 1.00 22.22 C ATOM 613 CE2 TYR A 38 -6.861 -3.843 -13.854 1.00 54.24 C ATOM 614 CZ TYR A 38 -6.765 -4.604 -12.707 1.00 75.14 C ATOM 615 OH TYR A 38 -7.645 -5.643 -12.492 1.00 22.11 O ATOM 0 H TYR A 38 -4.360 0.873 -14.623 1.00 41.02 H new ATOM 0 HA TYR A 38 -5.576 -0.237 -12.253 1.00 54.44 H new ATOM 0 HB2 TYR A 38 -3.859 -1.161 -14.388 1.00 11.11 H new ATOM 0 HB3 TYR A 38 -3.075 -1.530 -12.865 1.00 11.11 H new ATOM 0 HD1 TYR A 38 -4.159 -3.076 -11.235 1.00 64.23 H new ATOM 0 HD2 TYR A 38 -6.062 -2.205 -14.956 1.00 15.33 H new ATOM 0 HE1 TYR A 38 -5.736 -4.912 -10.866 1.00 22.22 H new ATOM 0 HE2 TYR A 38 -7.622 -4.062 -14.589 1.00 54.24 H new ATOM 0 HH TYR A 38 -8.263 -5.710 -13.249 1.00 22.11 H new ATOM 625 N TRP A 39 -2.857 1.540 -11.863 1.00 1.20 N ATOM 626 CA TRP A 39 -2.097 2.277 -10.820 1.00 34.33 C ATOM 627 C TRP A 39 -3.008 3.222 -10.003 1.00 63.21 C ATOM 628 O TRP A 39 -2.688 3.524 -8.862 1.00 53.21 O ATOM 629 CB TRP A 39 -0.878 3.038 -11.408 1.00 0.24 C ATOM 630 CG TRP A 39 0.340 2.157 -11.624 1.00 24.42 C ATOM 631 CD1 TRP A 39 0.931 1.836 -12.808 1.00 12.24 C ATOM 632 CD2 TRP A 39 1.097 1.472 -10.602 1.00 25.15 C ATOM 633 NE1 TRP A 39 2.013 1.033 -12.589 1.00 13.14 N ATOM 634 CE2 TRP A 39 2.126 0.787 -11.241 1.00 31.13 C ATOM 635 CE3 TRP A 39 1.005 1.376 -9.208 1.00 60.25 C ATOM 636 CZ2 TRP A 39 3.056 0.012 -10.544 1.00 61.12 C ATOM 637 CZ3 TRP A 39 1.928 0.609 -8.517 1.00 22.12 C ATOM 638 CH2 TRP A 39 2.942 -0.065 -9.187 1.00 44.23 C ATOM 0 H TRP A 39 -2.661 1.846 -12.816 1.00 1.20 H new ATOM 0 HA TRP A 39 -1.705 1.525 -10.135 1.00 34.33 H new ATOM 0 HB2 TRP A 39 -1.165 3.487 -12.359 1.00 0.24 H new ATOM 0 HB3 TRP A 39 -0.611 3.855 -10.737 1.00 0.24 H new ATOM 0 HD1 TRP A 39 0.593 2.168 -13.779 1.00 12.24 H new ATOM 0 HE1 TRP A 39 2.638 0.673 -13.310 1.00 13.14 H new ATOM 0 HE3 TRP A 39 0.221 1.895 -8.677 1.00 60.25 H new ATOM 0 HZ2 TRP A 39 3.844 -0.512 -11.065 1.00 61.12 H new ATOM 0 HZ3 TRP A 39 1.859 0.534 -7.442 1.00 22.12 H new ATOM 0 HH2 TRP A 39 3.649 -0.658 -8.626 1.00 44.23 H new ATOM 649 N ASN A 40 -4.116 3.708 -10.602 1.00 34.22 N ATOM 650 CA ASN A 40 -5.170 4.465 -9.865 1.00 64.11 C ATOM 651 C ASN A 40 -5.825 3.579 -8.779 1.00 61.32 C ATOM 652 O ASN A 40 -6.072 4.039 -7.657 1.00 10.22 O ATOM 653 CB ASN A 40 -6.261 4.971 -10.833 1.00 0.52 C ATOM 654 CG ASN A 40 -5.732 5.935 -11.883 1.00 23.10 C ATOM 655 OD1 ASN A 40 -4.829 6.723 -11.635 1.00 41.14 O ATOM 656 ND2 ASN A 40 -6.300 5.881 -13.062 1.00 0.33 N ATOM 0 H ASN A 40 -4.311 3.593 -11.597 1.00 34.22 H new ATOM 0 HA ASN A 40 -4.689 5.319 -9.389 1.00 64.11 H new ATOM 0 HB2 ASN A 40 -6.719 4.117 -11.332 1.00 0.52 H new ATOM 0 HB3 ASN A 40 -7.046 5.464 -10.259 1.00 0.52 H new ATOM 0 HD21 ASN A 40 -5.992 6.507 -13.806 1.00 0.33 H new ATOM 0 HD22 ASN A 40 -7.050 5.212 -13.236 1.00 0.33 H new ATOM 663 N LYS A 41 -6.114 2.309 -9.149 1.00 3.45 N ATOM 664 CA LYS A 41 -6.584 1.265 -8.187 1.00 62.34 C ATOM 665 C LYS A 41 -5.642 1.171 -6.967 1.00 11.34 C ATOM 666 O LYS A 41 -6.065 1.365 -5.831 1.00 53.41 O ATOM 667 CB LYS A 41 -6.665 -0.136 -8.874 1.00 70.40 C ATOM 668 CG LYS A 41 -7.830 -0.316 -9.866 1.00 20.53 C ATOM 669 CD LYS A 41 -9.228 -0.366 -9.175 1.00 52.34 C ATOM 670 CE LYS A 41 -9.534 -1.711 -8.464 1.00 74.53 C ATOM 671 NZ LYS A 41 -8.595 -2.046 -7.361 1.00 2.22 N ATOM 0 H LYS A 41 -6.032 1.975 -10.109 1.00 3.45 H new ATOM 0 HA LYS A 41 -7.579 1.561 -7.853 1.00 62.34 H new ATOM 0 HB2 LYS A 41 -5.729 -0.318 -9.402 1.00 70.40 H new ATOM 0 HB3 LYS A 41 -6.748 -0.898 -8.099 1.00 70.40 H new ATOM 0 HG2 LYS A 41 -7.817 0.504 -10.584 1.00 20.53 H new ATOM 0 HG3 LYS A 41 -7.678 -1.236 -10.430 1.00 20.53 H new ATOM 0 HD2 LYS A 41 -9.290 0.441 -8.445 1.00 52.34 H new ATOM 0 HD3 LYS A 41 -9.998 -0.179 -9.923 1.00 52.34 H new ATOM 0 HE2 LYS A 41 -10.548 -1.675 -8.065 1.00 74.53 H new ATOM 0 HE3 LYS A 41 -9.510 -2.513 -9.202 1.00 74.53 H new ATOM 0 HZ1 LYS A 41 -9.100 -2.582 -6.626 1.00 2.22 H new ATOM 0 HZ2 LYS A 41 -7.813 -2.621 -7.734 1.00 2.22 H new ATOM 0 HZ3 LYS A 41 -8.215 -1.169 -6.950 1.00 2.22 H new ATOM 685 N ILE A 42 -4.357 0.945 -7.247 1.00 61.51 N ATOM 686 CA ILE A 42 -3.309 0.762 -6.222 1.00 2.11 C ATOM 687 C ILE A 42 -3.113 2.033 -5.355 1.00 54.22 C ATOM 688 O ILE A 42 -3.126 1.956 -4.131 1.00 74.43 O ATOM 689 CB ILE A 42 -1.966 0.352 -6.930 1.00 70.11 C ATOM 690 CG1 ILE A 42 -2.157 -1.027 -7.645 1.00 73.20 C ATOM 691 CG2 ILE A 42 -0.760 0.328 -5.950 1.00 13.42 C ATOM 692 CD1 ILE A 42 -1.048 -1.437 -8.591 1.00 51.52 C ATOM 0 H ILE A 42 -4.003 0.882 -8.202 1.00 61.51 H new ATOM 0 HA ILE A 42 -3.624 -0.030 -5.543 1.00 2.11 H new ATOM 0 HB ILE A 42 -1.727 1.111 -7.675 1.00 70.11 H new ATOM 0 HG12 ILE A 42 -2.263 -1.799 -6.883 1.00 73.20 H new ATOM 0 HG13 ILE A 42 -3.093 -0.999 -8.203 1.00 73.20 H new ATOM 0 HG21 ILE A 42 0.142 0.039 -6.490 1.00 13.42 H new ATOM 0 HG22 ILE A 42 -0.622 1.319 -5.518 1.00 13.42 H new ATOM 0 HG23 ILE A 42 -0.952 -0.391 -5.154 1.00 13.42 H new ATOM 0 HD11 ILE A 42 -1.284 -2.407 -9.030 1.00 51.52 H new ATOM 0 HD12 ILE A 42 -0.952 -0.694 -9.383 1.00 51.52 H new ATOM 0 HD13 ILE A 42 -0.109 -1.506 -8.042 1.00 51.52 H new ATOM 704 N TYR A 43 -2.990 3.193 -6.020 1.00 64.43 N ATOM 705 CA TYR A 43 -2.669 4.490 -5.376 1.00 11.22 C ATOM 706 C TYR A 43 -3.716 4.906 -4.316 1.00 41.14 C ATOM 707 O TYR A 43 -3.355 5.311 -3.215 1.00 44.32 O ATOM 708 CB TYR A 43 -2.533 5.602 -6.451 1.00 2.54 C ATOM 709 CG TYR A 43 -2.231 6.998 -5.882 1.00 70.04 C ATOM 710 CD1 TYR A 43 -0.984 7.293 -5.325 1.00 41.32 C ATOM 711 CD2 TYR A 43 -3.201 8.007 -5.870 1.00 53.43 C ATOM 712 CE1 TYR A 43 -0.718 8.538 -4.789 1.00 1.32 C ATOM 713 CE2 TYR A 43 -2.935 9.249 -5.333 1.00 62.21 C ATOM 714 CZ TYR A 43 -1.691 9.510 -4.794 1.00 2.04 C ATOM 715 OH TYR A 43 -1.424 10.752 -4.257 1.00 61.14 O ATOM 0 H TYR A 43 -3.111 3.264 -7.030 1.00 64.43 H new ATOM 0 HA TYR A 43 -1.720 4.360 -4.856 1.00 11.22 H new ATOM 0 HB2 TYR A 43 -1.739 5.326 -7.145 1.00 2.54 H new ATOM 0 HB3 TYR A 43 -3.457 5.649 -7.027 1.00 2.54 H new ATOM 0 HD1 TYR A 43 -0.215 6.535 -5.313 1.00 41.32 H new ATOM 0 HD2 TYR A 43 -4.176 7.809 -6.289 1.00 53.43 H new ATOM 0 HE1 TYR A 43 0.253 8.748 -4.366 1.00 1.32 H new ATOM 0 HE2 TYR A 43 -3.697 10.015 -5.334 1.00 62.21 H new ATOM 0 HH TYR A 43 -2.217 11.322 -4.341 1.00 61.14 H new ATOM 725 N ARG A 44 -5.006 4.799 -4.670 1.00 13.32 N ATOM 726 CA ARG A 44 -6.123 5.199 -3.775 1.00 72.30 C ATOM 727 C ARG A 44 -6.292 4.238 -2.570 1.00 21.02 C ATOM 728 O ARG A 44 -6.770 4.647 -1.504 1.00 13.21 O ATOM 729 CB ARG A 44 -7.433 5.312 -4.585 1.00 43.44 C ATOM 730 CG ARG A 44 -7.369 6.351 -5.729 1.00 60.21 C ATOM 731 CD ARG A 44 -8.693 6.471 -6.510 1.00 35.11 C ATOM 732 NE ARG A 44 -9.105 5.189 -7.131 1.00 52.20 N ATOM 733 CZ ARG A 44 -9.321 4.995 -8.415 1.00 54.40 C ATOM 734 NH1 ARG A 44 -9.123 5.946 -9.277 1.00 53.54 N ATOM 735 NH2 ARG A 44 -9.714 3.834 -8.829 1.00 24.22 N ATOM 0 H ARG A 44 -5.311 4.437 -5.574 1.00 13.32 H new ATOM 0 HA ARG A 44 -5.877 6.175 -3.357 1.00 72.30 H new ATOM 0 HB2 ARG A 44 -7.675 4.336 -5.006 1.00 43.44 H new ATOM 0 HB3 ARG A 44 -8.246 5.578 -3.909 1.00 43.44 H new ATOM 0 HG2 ARG A 44 -7.109 7.325 -5.314 1.00 60.21 H new ATOM 0 HG3 ARG A 44 -6.571 6.075 -6.418 1.00 60.21 H new ATOM 0 HD2 ARG A 44 -9.479 6.813 -5.836 1.00 35.11 H new ATOM 0 HD3 ARG A 44 -8.586 7.229 -7.286 1.00 35.11 H new ATOM 0 HE ARG A 44 -9.232 4.389 -6.510 1.00 52.20 H new ATOM 0 HH11 ARG A 44 -8.795 6.859 -8.962 1.00 53.54 H new ATOM 0 HH12 ARG A 44 -9.295 5.780 -10.269 1.00 53.54 H new ATOM 0 HH21 ARG A 44 -9.855 3.075 -8.162 1.00 24.22 H new ATOM 0 HH22 ARG A 44 -9.883 3.677 -9.823 1.00 24.22 H new ATOM 749 N LEU A 45 -5.891 2.968 -2.747 1.00 32.23 N ATOM 750 CA LEU A 45 -5.888 1.970 -1.655 1.00 52.52 C ATOM 751 C LEU A 45 -4.672 2.172 -0.708 1.00 33.14 C ATOM 752 O LEU A 45 -4.791 2.001 0.504 1.00 54.43 O ATOM 753 CB LEU A 45 -5.907 0.539 -2.241 1.00 71.54 C ATOM 754 CG LEU A 45 -7.117 0.182 -3.166 1.00 15.32 C ATOM 755 CD1 LEU A 45 -7.012 -1.262 -3.711 1.00 44.43 C ATOM 756 CD2 LEU A 45 -8.469 0.423 -2.460 1.00 60.43 C ATOM 0 H LEU A 45 -5.562 2.603 -3.641 1.00 32.23 H new ATOM 0 HA LEU A 45 -6.789 2.112 -1.059 1.00 52.52 H new ATOM 0 HB2 LEU A 45 -4.988 0.390 -2.808 1.00 71.54 H new ATOM 0 HB3 LEU A 45 -5.889 -0.170 -1.413 1.00 71.54 H new ATOM 0 HG LEU A 45 -7.075 0.857 -4.021 1.00 15.32 H new ATOM 0 HD11 LEU A 45 -7.870 -1.473 -4.349 1.00 44.43 H new ATOM 0 HD12 LEU A 45 -6.095 -1.366 -4.290 1.00 44.43 H new ATOM 0 HD13 LEU A 45 -6.997 -1.965 -2.878 1.00 44.43 H new ATOM 0 HD21 LEU A 45 -9.284 0.163 -3.136 1.00 60.43 H new ATOM 0 HD22 LEU A 45 -8.528 -0.197 -1.565 1.00 60.43 H new ATOM 0 HD23 LEU A 45 -8.551 1.473 -2.180 1.00 60.43 H new ATOM 768 N VAL A 46 -3.508 2.558 -1.277 1.00 74.02 N ATOM 769 CA VAL A 46 -2.294 2.924 -0.491 1.00 54.05 C ATOM 770 C VAL A 46 -2.497 4.285 0.233 1.00 11.01 C ATOM 771 O VAL A 46 -1.936 4.525 1.306 1.00 12.41 O ATOM 772 CB VAL A 46 -0.999 2.946 -1.392 1.00 24.23 C ATOM 773 CG1 VAL A 46 0.249 3.437 -0.606 1.00 22.52 C ATOM 774 CG2 VAL A 46 -0.740 1.544 -2.012 1.00 31.24 C ATOM 0 H VAL A 46 -3.377 2.626 -2.286 1.00 74.02 H new ATOM 0 HA VAL A 46 -2.146 2.153 0.266 1.00 54.05 H new ATOM 0 HB VAL A 46 -1.176 3.659 -2.198 1.00 24.23 H new ATOM 0 HG11 VAL A 46 1.117 3.436 -1.265 1.00 22.52 H new ATOM 0 HG12 VAL A 46 0.073 4.448 -0.239 1.00 22.52 H new ATOM 0 HG13 VAL A 46 0.433 2.771 0.237 1.00 22.52 H new ATOM 0 HG21 VAL A 46 0.157 1.580 -2.630 1.00 31.24 H new ATOM 0 HG22 VAL A 46 -0.603 0.813 -1.215 1.00 31.24 H new ATOM 0 HG23 VAL A 46 -1.593 1.255 -2.627 1.00 31.24 H new ATOM 784 N HIS A 47 -3.335 5.156 -0.364 1.00 45.41 N ATOM 785 CA HIS A 47 -3.849 6.387 0.287 1.00 42.14 C ATOM 786 C HIS A 47 -4.552 6.040 1.615 1.00 43.43 C ATOM 787 O HIS A 47 -4.351 6.715 2.633 1.00 50.41 O ATOM 788 CB HIS A 47 -4.815 7.152 -0.684 1.00 64.24 C ATOM 789 CG HIS A 47 -5.903 7.962 -0.006 1.00 12.40 C ATOM 790 ND1 HIS A 47 -7.179 7.479 0.191 1.00 55.11 N ATOM 791 CD2 HIS A 47 -5.891 9.199 0.549 1.00 22.45 C ATOM 792 CE1 HIS A 47 -7.893 8.367 0.845 1.00 75.22 C ATOM 793 NE2 HIS A 47 -7.142 9.424 1.075 1.00 63.03 N ATOM 0 H HIS A 47 -3.678 5.028 -1.316 1.00 45.41 H new ATOM 0 HA HIS A 47 -3.009 7.043 0.514 1.00 42.14 H new ATOM 0 HB2 HIS A 47 -4.222 7.820 -1.308 1.00 64.24 H new ATOM 0 HB3 HIS A 47 -5.285 6.427 -1.349 1.00 64.24 H new ATOM 0 HD2 HIS A 47 -5.054 9.881 0.574 1.00 22.45 H new ATOM 0 HE1 HIS A 47 -8.924 8.250 1.144 1.00 75.22 H new ATOM 0 HE2 HIS A 47 -7.439 10.269 1.562 1.00 63.03 H new ATOM 802 N THR A 48 -5.377 4.981 1.568 1.00 20.44 N ATOM 803 CA THR A 48 -6.108 4.481 2.739 1.00 55.33 C ATOM 804 C THR A 48 -5.138 3.853 3.774 1.00 71.42 C ATOM 805 O THR A 48 -5.277 4.115 4.956 1.00 3.10 O ATOM 806 CB THR A 48 -7.209 3.454 2.320 1.00 5.33 C ATOM 807 OG1 THR A 48 -8.118 4.070 1.390 1.00 24.44 O ATOM 808 CG2 THR A 48 -8.004 2.918 3.526 1.00 2.12 C ATOM 0 H THR A 48 -5.554 4.449 0.716 1.00 20.44 H new ATOM 0 HA THR A 48 -6.602 5.332 3.209 1.00 55.33 H new ATOM 0 HB THR A 48 -6.701 2.609 1.856 1.00 5.33 H new ATOM 0 HG1 THR A 48 -7.675 4.179 0.523 1.00 24.44 H new ATOM 0 HG21 THR A 48 -8.756 2.209 3.180 1.00 2.12 H new ATOM 0 HG22 THR A 48 -7.325 2.419 4.217 1.00 2.12 H new ATOM 0 HG23 THR A 48 -8.495 3.747 4.036 1.00 2.12 H new ATOM 816 N MET A 49 -4.132 3.062 3.307 1.00 73.12 N ATOM 817 CA MET A 49 -3.079 2.458 4.191 1.00 13.32 C ATOM 818 C MET A 49 -2.318 3.537 4.999 1.00 64.34 C ATOM 819 O MET A 49 -2.148 3.422 6.214 1.00 72.34 O ATOM 820 CB MET A 49 -2.037 1.668 3.362 1.00 25.11 C ATOM 821 CG MET A 49 -2.588 0.508 2.556 1.00 43.33 C ATOM 822 SD MET A 49 -1.297 -0.335 1.624 1.00 3.15 S ATOM 823 CE MET A 49 -2.262 -1.555 0.754 1.00 5.30 C ATOM 0 H MET A 49 -4.023 2.824 2.321 1.00 73.12 H new ATOM 0 HA MET A 49 -3.604 1.790 4.874 1.00 13.32 H new ATOM 0 HB2 MET A 49 -1.542 2.359 2.680 1.00 25.11 H new ATOM 0 HB3 MET A 49 -1.273 1.287 4.040 1.00 25.11 H new ATOM 0 HG2 MET A 49 -3.074 -0.201 3.226 1.00 43.33 H new ATOM 0 HG3 MET A 49 -3.352 0.873 1.870 1.00 43.33 H new ATOM 0 HE1 MET A 49 -1.646 -2.029 -0.010 1.00 5.30 H new ATOM 0 HE2 MET A 49 -2.613 -2.310 1.457 1.00 5.30 H new ATOM 0 HE3 MET A 49 -3.118 -1.073 0.282 1.00 5.30 H new ATOM 833 N LYS A 50 -1.854 4.560 4.265 1.00 51.03 N ATOM 834 CA LYS A 50 -1.194 5.761 4.814 1.00 44.31 C ATOM 835 C LYS A 50 -2.074 6.429 5.901 1.00 61.22 C ATOM 836 O LYS A 50 -1.629 6.666 7.020 1.00 65.45 O ATOM 837 CB LYS A 50 -0.939 6.758 3.653 1.00 73.42 C ATOM 838 CG LYS A 50 -0.267 8.096 4.058 1.00 53.43 C ATOM 839 CD LYS A 50 -0.446 9.206 2.988 1.00 64.10 C ATOM 840 CE LYS A 50 -1.936 9.495 2.685 1.00 50.22 C ATOM 841 NZ LYS A 50 -2.708 9.858 3.903 1.00 50.40 N ATOM 0 H LYS A 50 -1.928 4.578 3.248 1.00 51.03 H new ATOM 0 HA LYS A 50 -0.251 5.473 5.278 1.00 44.31 H new ATOM 0 HB2 LYS A 50 -0.313 6.268 2.907 1.00 73.42 H new ATOM 0 HB3 LYS A 50 -1.892 6.981 3.173 1.00 73.42 H new ATOM 0 HG2 LYS A 50 -0.688 8.438 5.003 1.00 53.43 H new ATOM 0 HG3 LYS A 50 0.797 7.927 4.226 1.00 53.43 H new ATOM 0 HD2 LYS A 50 0.036 10.121 3.332 1.00 64.10 H new ATOM 0 HD3 LYS A 50 0.058 8.906 2.069 1.00 64.10 H new ATOM 0 HE2 LYS A 50 -2.005 10.307 1.961 1.00 50.22 H new ATOM 0 HE3 LYS A 50 -2.386 8.616 2.223 1.00 50.22 H new ATOM 0 HZ1 LYS A 50 -3.366 9.088 4.140 1.00 50.40 H new ATOM 0 HZ2 LYS A 50 -2.053 10.010 4.697 1.00 50.40 H new ATOM 0 HZ3 LYS A 50 -3.246 10.730 3.726 1.00 50.40 H new ATOM 855 N GLU A 51 -3.339 6.674 5.543 1.00 70.34 N ATOM 856 CA GLU A 51 -4.337 7.317 6.417 1.00 43.22 C ATOM 857 C GLU A 51 -4.641 6.458 7.689 1.00 3.24 C ATOM 858 O GLU A 51 -4.869 7.004 8.776 1.00 1.20 O ATOM 859 CB GLU A 51 -5.618 7.555 5.578 1.00 54.04 C ATOM 860 CG GLU A 51 -6.707 8.388 6.264 1.00 41.00 C ATOM 861 CD GLU A 51 -7.980 8.528 5.406 1.00 3.21 C ATOM 862 OE1 GLU A 51 -8.041 9.435 4.543 1.00 63.12 O ATOM 863 OE2 GLU A 51 -8.916 7.720 5.582 1.00 12.41 O ATOM 0 H GLU A 51 -3.708 6.429 4.624 1.00 70.34 H new ATOM 0 HA GLU A 51 -3.945 8.266 6.784 1.00 43.22 H new ATOM 0 HB2 GLU A 51 -5.337 8.050 4.649 1.00 54.04 H new ATOM 0 HB3 GLU A 51 -6.040 6.587 5.308 1.00 54.04 H new ATOM 0 HG2 GLU A 51 -6.965 7.926 7.217 1.00 41.00 H new ATOM 0 HG3 GLU A 51 -6.313 9.380 6.487 1.00 41.00 H new ATOM 870 N ILE A 52 -4.611 5.112 7.527 1.00 40.02 N ATOM 871 CA ILE A 52 -4.780 4.129 8.633 1.00 33.32 C ATOM 872 C ILE A 52 -3.650 4.275 9.676 1.00 70.02 C ATOM 873 O ILE A 52 -3.902 4.529 10.853 1.00 4.21 O ATOM 874 CB ILE A 52 -4.808 2.631 8.077 1.00 51.04 C ATOM 875 CG1 ILE A 52 -6.145 2.323 7.325 1.00 32.22 C ATOM 876 CG2 ILE A 52 -4.546 1.574 9.188 1.00 3.12 C ATOM 877 CD1 ILE A 52 -6.208 0.955 6.647 1.00 23.21 C ATOM 0 H ILE A 52 -4.468 4.672 6.618 1.00 40.02 H new ATOM 0 HA ILE A 52 -5.736 4.340 9.113 1.00 33.32 H new ATOM 0 HB ILE A 52 -3.987 2.556 7.363 1.00 51.04 H new ATOM 0 HG12 ILE A 52 -6.968 2.397 8.035 1.00 32.22 H new ATOM 0 HG13 ILE A 52 -6.305 3.093 6.570 1.00 32.22 H new ATOM 0 HG21 ILE A 52 -4.577 0.575 8.754 1.00 3.12 H new ATOM 0 HG22 ILE A 52 -3.565 1.747 9.631 1.00 3.12 H new ATOM 0 HG23 ILE A 52 -5.312 1.658 9.959 1.00 3.12 H new ATOM 0 HD11 ILE A 52 -7.173 0.837 6.154 1.00 23.21 H new ATOM 0 HD12 ILE A 52 -5.411 0.878 5.907 1.00 23.21 H new ATOM 0 HD13 ILE A 52 -6.085 0.172 7.395 1.00 23.21 H new ATOM 889 N THR A 53 -2.400 4.131 9.215 1.00 20.35 N ATOM 890 CA THR A 53 -1.216 4.125 10.100 1.00 1.42 C ATOM 891 C THR A 53 -0.957 5.508 10.757 1.00 11.31 C ATOM 892 O THR A 53 -0.457 5.577 11.884 1.00 25.14 O ATOM 893 CB THR A 53 0.050 3.606 9.346 1.00 74.31 C ATOM 894 OG1 THR A 53 1.181 3.644 10.196 1.00 34.20 O ATOM 895 CG2 THR A 53 0.364 4.401 8.080 1.00 2.24 C ATOM 0 H THR A 53 -2.177 4.016 8.226 1.00 20.35 H new ATOM 0 HA THR A 53 -1.433 3.431 10.912 1.00 1.42 H new ATOM 0 HB THR A 53 -0.176 2.582 9.050 1.00 74.31 H new ATOM 0 HG1 THR A 53 1.499 4.568 10.277 1.00 34.20 H new ATOM 0 HG21 THR A 53 1.254 3.990 7.604 1.00 2.24 H new ATOM 0 HG22 THR A 53 -0.479 4.336 7.391 1.00 2.24 H new ATOM 0 HG23 THR A 53 0.541 5.445 8.340 1.00 2.24 H new ATOM 903 N GLU A 54 -1.341 6.603 10.063 1.00 12.11 N ATOM 904 CA GLU A 54 -1.295 7.976 10.630 1.00 0.24 C ATOM 905 C GLU A 54 -2.278 8.132 11.821 1.00 62.10 C ATOM 906 O GLU A 54 -1.892 8.629 12.887 1.00 33.04 O ATOM 907 CB GLU A 54 -1.606 9.045 9.543 1.00 33.53 C ATOM 908 CG GLU A 54 -0.516 9.213 8.468 1.00 40.21 C ATOM 909 CD GLU A 54 -0.891 10.247 7.390 1.00 21.02 C ATOM 910 OE1 GLU A 54 -1.738 9.933 6.528 1.00 72.20 O ATOM 911 OE2 GLU A 54 -0.365 11.384 7.414 1.00 73.44 O ATOM 0 H GLU A 54 -1.688 6.565 9.105 1.00 12.11 H new ATOM 0 HA GLU A 54 -0.281 8.136 10.997 1.00 0.24 H new ATOM 0 HB2 GLU A 54 -2.543 8.781 9.052 1.00 33.53 H new ATOM 0 HB3 GLU A 54 -1.763 10.006 10.033 1.00 33.53 H new ATOM 0 HG2 GLU A 54 0.415 9.516 8.946 1.00 40.21 H new ATOM 0 HG3 GLU A 54 -0.331 8.250 7.992 1.00 40.21 H new ATOM 918 N THR A 55 -3.545 7.686 11.640 1.00 53.31 N ATOM 919 CA THR A 55 -4.586 7.799 12.700 1.00 42.04 C ATOM 920 C THR A 55 -4.354 6.782 13.856 1.00 23.11 C ATOM 921 O THR A 55 -4.822 6.992 14.979 1.00 30.44 O ATOM 922 CB THR A 55 -6.047 7.655 12.129 1.00 71.30 C ATOM 923 OG1 THR A 55 -7.006 8.057 13.127 1.00 42.44 O ATOM 924 CG2 THR A 55 -6.395 6.228 11.656 1.00 13.54 C ATOM 0 H THR A 55 -3.872 7.248 10.779 1.00 53.31 H new ATOM 0 HA THR A 55 -4.488 8.806 13.107 1.00 42.04 H new ATOM 0 HB THR A 55 -6.090 8.303 11.254 1.00 71.30 H new ATOM 0 HG1 THR A 55 -7.912 7.967 12.765 1.00 42.44 H new ATOM 0 HG21 THR A 55 -7.417 6.209 11.277 1.00 13.54 H new ATOM 0 HG22 THR A 55 -5.708 5.930 10.864 1.00 13.54 H new ATOM 0 HG23 THR A 55 -6.306 5.535 12.493 1.00 13.54 H new ATOM 932 N MET A 56 -3.622 5.683 13.560 1.00 23.31 N ATOM 933 CA MET A 56 -3.191 4.685 14.577 1.00 13.12 C ATOM 934 C MET A 56 -2.012 5.199 15.446 1.00 64.13 C ATOM 935 O MET A 56 -1.736 4.641 16.516 1.00 21.13 O ATOM 936 CB MET A 56 -2.795 3.343 13.891 1.00 61.23 C ATOM 937 CG MET A 56 -3.971 2.483 13.414 1.00 35.01 C ATOM 938 SD MET A 56 -3.419 0.902 12.731 1.00 61.30 S ATOM 939 CE MET A 56 -4.965 0.000 12.633 1.00 43.54 C ATOM 0 H MET A 56 -3.312 5.460 12.614 1.00 23.31 H new ATOM 0 HA MET A 56 -4.041 4.520 15.239 1.00 13.12 H new ATOM 0 HB2 MET A 56 -2.157 3.565 13.035 1.00 61.23 H new ATOM 0 HB3 MET A 56 -2.198 2.758 14.590 1.00 61.23 H new ATOM 0 HG2 MET A 56 -4.649 2.301 14.248 1.00 35.01 H new ATOM 0 HG3 MET A 56 -4.535 3.028 12.657 1.00 35.01 H new ATOM 0 HE1 MET A 56 -4.862 -0.824 11.926 1.00 43.54 H new ATOM 0 HE2 MET A 56 -5.219 -0.395 13.617 1.00 43.54 H new ATOM 0 HE3 MET A 56 -5.756 0.670 12.296 1.00 43.54 H new ATOM 949 N GLY A 57 -1.318 6.249 14.971 1.00 5.41 N ATOM 950 CA GLY A 57 -0.132 6.786 15.661 1.00 54.24 C ATOM 951 C GLY A 57 1.171 6.069 15.279 1.00 74.11 C ATOM 952 O GLY A 57 2.220 6.316 15.883 1.00 50.04 O ATOM 0 H GLY A 57 -1.559 6.743 14.111 1.00 5.41 H new ATOM 0 HA2 GLY A 57 -0.036 7.847 15.430 1.00 54.24 H new ATOM 0 HA3 GLY A 57 -0.280 6.706 16.738 1.00 54.24 H new ATOM 956 N PHE A 58 1.110 5.190 14.261 1.00 23.05 N ATOM 957 CA PHE A 58 2.282 4.485 13.706 1.00 13.23 C ATOM 958 C PHE A 58 2.954 5.362 12.613 1.00 74.44 C ATOM 959 O PHE A 58 3.167 4.921 11.481 1.00 75.34 O ATOM 960 CB PHE A 58 1.832 3.112 13.125 1.00 41.15 C ATOM 961 CG PHE A 58 1.506 2.021 14.144 1.00 75.43 C ATOM 962 CD1 PHE A 58 0.371 2.103 14.944 1.00 33.12 C ATOM 963 CD2 PHE A 58 2.325 0.895 14.279 1.00 23.42 C ATOM 964 CE1 PHE A 58 0.060 1.105 15.846 1.00 30.03 C ATOM 965 CE2 PHE A 58 2.015 -0.103 15.184 1.00 2.02 C ATOM 966 CZ PHE A 58 0.884 0.001 15.970 1.00 73.22 C ATOM 0 H PHE A 58 0.236 4.946 13.795 1.00 23.05 H new ATOM 0 HA PHE A 58 3.014 4.305 14.494 1.00 13.23 H new ATOM 0 HB2 PHE A 58 0.951 3.275 12.504 1.00 41.15 H new ATOM 0 HB3 PHE A 58 2.620 2.743 12.469 1.00 41.15 H new ATOM 0 HD1 PHE A 58 -0.278 2.962 14.858 1.00 33.12 H new ATOM 0 HD2 PHE A 58 3.211 0.804 13.668 1.00 23.42 H new ATOM 0 HE1 PHE A 58 -0.828 1.186 16.456 1.00 30.03 H new ATOM 0 HE2 PHE A 58 2.658 -0.966 15.277 1.00 2.02 H new ATOM 0 HZ PHE A 58 0.644 -0.777 16.679 1.00 73.22 H new ATOM 976 N SER A 59 3.313 6.605 12.986 1.00 31.33 N ATOM 977 CA SER A 59 3.887 7.621 12.062 1.00 51.32 C ATOM 978 C SER A 59 5.156 7.118 11.334 1.00 34.30 C ATOM 979 O SER A 59 5.406 7.492 10.190 1.00 43.04 O ATOM 980 CB SER A 59 4.209 8.921 12.835 1.00 21.24 C ATOM 981 OG SER A 59 3.056 9.439 13.481 1.00 61.11 O ATOM 0 H SER A 59 3.215 6.942 13.944 1.00 31.33 H new ATOM 0 HA SER A 59 3.133 7.817 11.300 1.00 51.32 H new ATOM 0 HB2 SER A 59 4.985 8.723 13.575 1.00 21.24 H new ATOM 0 HB3 SER A 59 4.608 9.666 12.147 1.00 21.24 H new ATOM 0 HG SER A 59 3.292 10.259 13.962 1.00 61.11 H new ATOM 987 N SER A 60 5.935 6.257 12.013 1.00 1.35 N ATOM 988 CA SER A 60 7.146 5.616 11.438 1.00 41.14 C ATOM 989 C SER A 60 6.807 4.678 10.253 1.00 24.00 C ATOM 990 O SER A 60 7.575 4.588 9.288 1.00 11.22 O ATOM 991 CB SER A 60 7.903 4.840 12.540 1.00 53.52 C ATOM 992 OG SER A 60 8.334 5.701 13.584 1.00 4.11 O ATOM 0 H SER A 60 5.748 5.981 12.977 1.00 1.35 H new ATOM 0 HA SER A 60 7.784 6.408 11.046 1.00 41.14 H new ATOM 0 HB2 SER A 60 7.255 4.065 12.951 1.00 53.52 H new ATOM 0 HB3 SER A 60 8.766 4.336 12.104 1.00 53.52 H new ATOM 0 HG SER A 60 8.807 5.178 14.265 1.00 4.11 H new ATOM 998 N VAL A 61 5.659 3.972 10.342 1.00 12.15 N ATOM 999 CA VAL A 61 5.145 3.121 9.238 1.00 50.32 C ATOM 1000 C VAL A 61 4.617 4.009 8.082 1.00 64.15 C ATOM 1001 O VAL A 61 4.789 3.683 6.904 1.00 14.52 O ATOM 1002 CB VAL A 61 3.998 2.159 9.729 1.00 4.42 C ATOM 1003 CG1 VAL A 61 3.582 1.152 8.630 1.00 63.42 C ATOM 1004 CG2 VAL A 61 4.376 1.426 11.037 1.00 13.42 C ATOM 0 H VAL A 61 5.065 3.973 11.171 1.00 12.15 H new ATOM 0 HA VAL A 61 5.973 2.508 8.884 1.00 50.32 H new ATOM 0 HB VAL A 61 3.135 2.789 9.945 1.00 4.42 H new ATOM 0 HG11 VAL A 61 2.789 0.507 9.009 1.00 63.42 H new ATOM 0 HG12 VAL A 61 3.222 1.695 7.756 1.00 63.42 H new ATOM 0 HG13 VAL A 61 4.442 0.543 8.350 1.00 63.42 H new ATOM 0 HG21 VAL A 61 3.556 0.774 11.339 1.00 13.42 H new ATOM 0 HG22 VAL A 61 5.273 0.829 10.873 1.00 13.42 H new ATOM 0 HG23 VAL A 61 4.565 2.158 11.822 1.00 13.42 H new ATOM 1014 N ALA A 62 3.995 5.149 8.448 1.00 23.14 N ATOM 1015 CA ALA A 62 3.472 6.146 7.478 1.00 33.13 C ATOM 1016 C ALA A 62 4.573 6.695 6.541 1.00 33.24 C ATOM 1017 O ALA A 62 4.279 7.033 5.400 1.00 62.25 O ATOM 1018 CB ALA A 62 2.757 7.298 8.197 1.00 54.55 C ATOM 0 H ALA A 62 3.839 5.408 9.422 1.00 23.14 H new ATOM 0 HA ALA A 62 2.749 5.620 6.855 1.00 33.13 H new ATOM 0 HB1 ALA A 62 2.385 8.011 7.461 1.00 54.55 H new ATOM 0 HB2 ALA A 62 1.921 6.903 8.774 1.00 54.55 H new ATOM 0 HB3 ALA A 62 3.456 7.799 8.867 1.00 54.55 H new ATOM 1024 N LYS A 63 5.832 6.793 7.047 1.00 73.51 N ATOM 1025 CA LYS A 63 7.023 7.115 6.203 1.00 63.53 C ATOM 1026 C LYS A 63 7.125 6.159 4.994 1.00 62.52 C ATOM 1027 O LYS A 63 7.326 6.600 3.858 1.00 73.00 O ATOM 1028 CB LYS A 63 8.354 7.040 7.029 1.00 54.53 C ATOM 1029 CG LYS A 63 8.780 8.350 7.732 1.00 23.41 C ATOM 1030 CD LYS A 63 7.777 8.840 8.790 1.00 64.03 C ATOM 1031 CE LYS A 63 8.249 10.106 9.516 1.00 64.12 C ATOM 1032 NZ LYS A 63 7.301 10.505 10.585 1.00 53.41 N ATOM 0 H LYS A 63 6.052 6.654 8.033 1.00 73.51 H new ATOM 0 HA LYS A 63 6.886 8.136 5.846 1.00 63.53 H new ATOM 0 HB2 LYS A 63 8.248 6.261 7.784 1.00 54.53 H new ATOM 0 HB3 LYS A 63 9.158 6.729 6.361 1.00 54.53 H new ATOM 0 HG2 LYS A 63 9.750 8.198 8.206 1.00 23.41 H new ATOM 0 HG3 LYS A 63 8.911 9.129 6.981 1.00 23.41 H new ATOM 0 HD2 LYS A 63 6.818 9.038 8.311 1.00 64.03 H new ATOM 0 HD3 LYS A 63 7.611 8.048 9.521 1.00 64.03 H new ATOM 0 HE2 LYS A 63 9.235 9.933 9.948 1.00 64.12 H new ATOM 0 HE3 LYS A 63 8.354 10.920 8.799 1.00 64.12 H new ATOM 0 HZ1 LYS A 63 7.650 11.364 11.056 1.00 53.41 H new ATOM 0 HZ2 LYS A 63 6.367 10.694 10.168 1.00 53.41 H new ATOM 0 HZ3 LYS A 63 7.220 9.737 11.282 1.00 53.41 H new ATOM 1046 N VAL A 64 6.972 4.851 5.273 1.00 73.31 N ATOM 1047 CA VAL A 64 7.048 3.790 4.252 1.00 24.33 C ATOM 1048 C VAL A 64 5.918 3.940 3.208 1.00 73.42 C ATOM 1049 O VAL A 64 6.191 4.082 2.029 1.00 71.53 O ATOM 1050 CB VAL A 64 7.008 2.358 4.916 1.00 65.41 C ATOM 1051 CG1 VAL A 64 7.060 1.221 3.857 1.00 73.42 C ATOM 1052 CG2 VAL A 64 8.147 2.206 5.959 1.00 45.33 C ATOM 0 H VAL A 64 6.792 4.500 6.214 1.00 73.31 H new ATOM 0 HA VAL A 64 8.002 3.897 3.735 1.00 24.33 H new ATOM 0 HB VAL A 64 6.053 2.265 5.433 1.00 65.41 H new ATOM 0 HG11 VAL A 64 7.030 0.254 4.359 1.00 73.42 H new ATOM 0 HG12 VAL A 64 6.205 1.308 3.187 1.00 73.42 H new ATOM 0 HG13 VAL A 64 7.982 1.302 3.281 1.00 73.42 H new ATOM 0 HG21 VAL A 64 8.102 1.212 6.405 1.00 45.33 H new ATOM 0 HG22 VAL A 64 9.111 2.340 5.467 1.00 45.33 H new ATOM 0 HG23 VAL A 64 8.030 2.959 6.738 1.00 45.33 H new ATOM 1062 N LEU A 65 4.655 3.973 3.671 1.00 5.40 N ATOM 1063 CA LEU A 65 3.457 4.059 2.777 1.00 5.04 C ATOM 1064 C LEU A 65 3.429 5.371 1.958 1.00 71.42 C ATOM 1065 O LEU A 65 2.946 5.392 0.821 1.00 35.42 O ATOM 1066 CB LEU A 65 2.137 3.902 3.593 1.00 42.42 C ATOM 1067 CG LEU A 65 1.795 2.463 4.093 1.00 43.52 C ATOM 1068 CD1 LEU A 65 1.612 1.489 2.907 1.00 12.35 C ATOM 1069 CD2 LEU A 65 2.851 1.943 5.076 1.00 2.30 C ATOM 0 H LEU A 65 4.424 3.942 4.664 1.00 5.40 H new ATOM 0 HA LEU A 65 3.534 3.233 2.070 1.00 5.04 H new ATOM 0 HB2 LEU A 65 2.191 4.561 4.460 1.00 42.42 H new ATOM 0 HB3 LEU A 65 1.310 4.254 2.976 1.00 42.42 H new ATOM 0 HG LEU A 65 0.848 2.520 4.629 1.00 43.52 H new ATOM 0 HD11 LEU A 65 1.375 0.495 3.286 1.00 12.35 H new ATOM 0 HD12 LEU A 65 0.799 1.839 2.271 1.00 12.35 H new ATOM 0 HD13 LEU A 65 2.533 1.446 2.326 1.00 12.35 H new ATOM 0 HD21 LEU A 65 2.580 0.939 5.403 1.00 2.30 H new ATOM 0 HD22 LEU A 65 3.823 1.915 4.584 1.00 2.30 H new ATOM 0 HD23 LEU A 65 2.901 2.605 5.940 1.00 2.30 H new ATOM 1081 N HIS A 66 3.987 6.443 2.544 1.00 23.04 N ATOM 1082 CA HIS A 66 4.092 7.764 1.892 1.00 3.40 C ATOM 1083 C HIS A 66 5.057 7.712 0.682 1.00 42.14 C ATOM 1084 O HIS A 66 4.902 8.495 -0.265 1.00 63.32 O ATOM 1085 CB HIS A 66 4.545 8.833 2.912 1.00 72.24 C ATOM 1086 CG HIS A 66 4.429 10.247 2.411 1.00 34.41 C ATOM 1087 ND1 HIS A 66 5.442 10.895 1.740 1.00 1.22 N ATOM 1088 CD2 HIS A 66 3.406 11.133 2.482 1.00 45.13 C ATOM 1089 CE1 HIS A 66 5.053 12.104 1.421 1.00 21.20 C ATOM 1090 NE2 HIS A 66 3.826 12.283 1.857 1.00 74.33 N ATOM 0 H HIS A 66 4.380 6.421 3.485 1.00 23.04 H new ATOM 0 HA HIS A 66 3.106 8.040 1.518 1.00 3.40 H new ATOM 0 HB2 HIS A 66 3.949 8.730 3.819 1.00 72.24 H new ATOM 0 HB3 HIS A 66 5.582 8.640 3.188 1.00 72.24 H new ATOM 0 HD2 HIS A 66 2.443 10.967 2.942 1.00 45.13 H new ATOM 0 HE1 HIS A 66 5.643 12.834 0.887 1.00 21.20 H new ATOM 0 HE2 HIS A 66 3.276 13.135 1.749 1.00 74.33 H new ATOM 1099 N THR A 67 6.057 6.795 0.723 1.00 12.53 N ATOM 1100 CA THR A 67 7.008 6.643 -0.411 1.00 13.30 C ATOM 1101 C THR A 67 6.307 6.037 -1.638 1.00 33.02 C ATOM 1102 O THR A 67 6.587 6.452 -2.751 1.00 30.03 O ATOM 1103 CB THR A 67 8.288 5.793 -0.089 1.00 60.03 C ATOM 1104 OG1 THR A 67 7.962 4.399 0.067 1.00 41.34 O ATOM 1105 CG2 THR A 67 9.013 6.296 1.163 1.00 4.53 C ATOM 0 H THR A 67 6.225 6.164 1.507 1.00 12.53 H new ATOM 0 HA THR A 67 7.349 7.658 -0.617 1.00 13.30 H new ATOM 0 HB THR A 67 8.959 5.909 -0.940 1.00 60.03 H new ATOM 0 HG1 THR A 67 7.426 4.277 0.878 1.00 41.34 H new ATOM 0 HG21 THR A 67 9.892 5.678 1.347 1.00 4.53 H new ATOM 0 HG22 THR A 67 9.321 7.331 1.014 1.00 4.53 H new ATOM 0 HG23 THR A 67 8.342 6.237 2.020 1.00 4.53 H new ATOM 1113 N ILE A 68 5.375 5.068 -1.417 1.00 1.20 N ATOM 1114 CA ILE A 68 4.568 4.460 -2.516 1.00 73.15 C ATOM 1115 C ILE A 68 3.587 5.507 -3.109 1.00 75.45 C ATOM 1116 O ILE A 68 3.347 5.525 -4.311 1.00 2.02 O ATOM 1117 CB ILE A 68 3.757 3.162 -2.081 1.00 40.41 C ATOM 1118 CG1 ILE A 68 4.689 2.024 -1.538 1.00 1.51 C ATOM 1119 CG2 ILE A 68 2.889 2.617 -3.247 1.00 54.01 C ATOM 1120 CD1 ILE A 68 5.139 2.207 -0.112 1.00 23.23 C ATOM 0 H ILE A 68 5.164 4.692 -0.493 1.00 1.20 H new ATOM 0 HA ILE A 68 5.289 4.141 -3.269 1.00 73.15 H new ATOM 0 HB ILE A 68 3.103 3.475 -1.267 1.00 40.41 H new ATOM 0 HG12 ILE A 68 4.164 1.072 -1.620 1.00 1.51 H new ATOM 0 HG13 ILE A 68 5.569 1.958 -2.177 1.00 1.51 H new ATOM 0 HG21 ILE A 68 2.349 1.730 -2.915 1.00 54.01 H new ATOM 0 HG22 ILE A 68 2.176 3.381 -3.558 1.00 54.01 H new ATOM 0 HG23 ILE A 68 3.532 2.356 -4.088 1.00 54.01 H new ATOM 0 HD11 ILE A 68 5.779 1.373 0.177 1.00 23.23 H new ATOM 0 HD12 ILE A 68 5.696 3.140 -0.023 1.00 23.23 H new ATOM 0 HD13 ILE A 68 4.268 2.241 0.543 1.00 23.23 H new ATOM 1132 N MET A 69 3.039 6.381 -2.246 1.00 23.34 N ATOM 1133 CA MET A 69 2.194 7.528 -2.682 1.00 63.51 C ATOM 1134 C MET A 69 2.958 8.425 -3.687 1.00 4.52 C ATOM 1135 O MET A 69 2.484 8.691 -4.789 1.00 21.10 O ATOM 1136 CB MET A 69 1.759 8.365 -1.453 1.00 71.11 C ATOM 1137 CG MET A 69 0.894 7.604 -0.447 1.00 10.35 C ATOM 1138 SD MET A 69 -0.788 7.309 -1.031 1.00 64.55 S ATOM 1139 CE MET A 69 -1.440 8.977 -1.116 1.00 73.14 C ATOM 0 H MET A 69 3.162 6.321 -1.235 1.00 23.34 H new ATOM 0 HA MET A 69 1.308 7.131 -3.178 1.00 63.51 H new ATOM 0 HB2 MET A 69 2.650 8.731 -0.944 1.00 71.11 H new ATOM 0 HB3 MET A 69 1.208 9.239 -1.800 1.00 71.11 H new ATOM 0 HG2 MET A 69 1.366 6.648 -0.223 1.00 10.35 H new ATOM 0 HG3 MET A 69 0.854 8.166 0.486 1.00 10.35 H new ATOM 0 HE1 MET A 69 -2.364 9.036 -0.540 1.00 73.14 H new ATOM 0 HE2 MET A 69 -0.710 9.674 -0.704 1.00 73.14 H new ATOM 0 HE3 MET A 69 -1.643 9.236 -2.155 1.00 73.14 H new ATOM 1149 N ASN A 70 4.169 8.829 -3.288 1.00 3.43 N ATOM 1150 CA ASN A 70 5.092 9.640 -4.116 1.00 43.12 C ATOM 1151 C ASN A 70 5.534 8.882 -5.398 1.00 22.11 C ATOM 1152 O ASN A 70 5.649 9.466 -6.481 1.00 12.51 O ATOM 1153 CB ASN A 70 6.328 9.989 -3.249 1.00 41.22 C ATOM 1154 CG ASN A 70 7.366 10.897 -3.929 1.00 2.25 C ATOM 1155 OD1 ASN A 70 8.561 10.768 -3.685 1.00 30.12 O ATOM 1156 ND2 ASN A 70 6.937 11.830 -4.767 1.00 50.42 N ATOM 0 H ASN A 70 4.549 8.603 -2.369 1.00 3.43 H new ATOM 0 HA ASN A 70 4.579 10.544 -4.443 1.00 43.12 H new ATOM 0 HB2 ASN A 70 5.986 10.475 -2.335 1.00 41.22 H new ATOM 0 HB3 ASN A 70 6.818 9.062 -2.952 1.00 41.22 H new ATOM 0 HD21 ASN A 70 7.604 12.454 -5.220 1.00 50.42 H new ATOM 0 HD22 ASN A 70 5.940 11.924 -4.959 1.00 50.42 H new ATOM 1163 N LEU A 71 5.755 7.574 -5.232 1.00 75.32 N ATOM 1164 CA LEU A 71 6.281 6.671 -6.277 1.00 44.04 C ATOM 1165 C LEU A 71 5.254 6.519 -7.432 1.00 73.50 C ATOM 1166 O LEU A 71 5.551 6.831 -8.590 1.00 50.45 O ATOM 1167 CB LEU A 71 6.610 5.298 -5.591 1.00 31.25 C ATOM 1168 CG LEU A 71 7.602 4.325 -6.295 1.00 65.34 C ATOM 1169 CD1 LEU A 71 7.973 3.137 -5.368 1.00 23.40 C ATOM 1170 CD2 LEU A 71 7.035 3.802 -7.621 1.00 25.41 C ATOM 0 H LEU A 71 5.571 7.097 -4.350 1.00 75.32 H new ATOM 0 HA LEU A 71 7.187 7.077 -6.726 1.00 44.04 H new ATOM 0 HB2 LEU A 71 7.006 5.512 -4.598 1.00 31.25 H new ATOM 0 HB3 LEU A 71 5.669 4.766 -5.451 1.00 31.25 H new ATOM 0 HG LEU A 71 8.506 4.893 -6.513 1.00 65.34 H new ATOM 0 HD11 LEU A 71 8.667 2.474 -5.886 1.00 23.40 H new ATOM 0 HD12 LEU A 71 8.443 3.516 -4.461 1.00 23.40 H new ATOM 0 HD13 LEU A 71 7.071 2.585 -5.106 1.00 23.40 H new ATOM 0 HD21 LEU A 71 7.755 3.126 -8.083 1.00 25.41 H new ATOM 0 HD22 LEU A 71 6.104 3.267 -7.433 1.00 25.41 H new ATOM 0 HD23 LEU A 71 6.843 4.640 -8.290 1.00 25.41 H new ATOM 1182 N VAL A 72 4.057 6.033 -7.081 1.00 0.53 N ATOM 1183 CA VAL A 72 2.943 5.815 -8.024 1.00 60.24 C ATOM 1184 C VAL A 72 2.431 7.145 -8.632 1.00 45.41 C ATOM 1185 O VAL A 72 2.025 7.176 -9.790 1.00 72.24 O ATOM 1186 CB VAL A 72 1.763 5.032 -7.347 1.00 35.35 C ATOM 1187 CG1 VAL A 72 0.628 4.749 -8.357 1.00 4.14 C ATOM 1188 CG2 VAL A 72 2.269 3.716 -6.706 1.00 55.11 C ATOM 0 H VAL A 72 3.828 5.775 -6.121 1.00 0.53 H new ATOM 0 HA VAL A 72 3.336 5.206 -8.838 1.00 60.24 H new ATOM 0 HB VAL A 72 1.357 5.662 -6.555 1.00 35.35 H new ATOM 0 HG11 VAL A 72 -0.175 4.206 -7.859 1.00 4.14 H new ATOM 0 HG12 VAL A 72 0.242 5.692 -8.744 1.00 4.14 H new ATOM 0 HG13 VAL A 72 1.015 4.150 -9.181 1.00 4.14 H new ATOM 0 HG21 VAL A 72 1.433 3.192 -6.243 1.00 55.11 H new ATOM 0 HG22 VAL A 72 2.713 3.084 -7.475 1.00 55.11 H new ATOM 0 HG23 VAL A 72 3.018 3.945 -5.948 1.00 55.11 H new ATOM 1198 N ASP A 73 2.479 8.245 -7.852 1.00 42.13 N ATOM 1199 CA ASP A 73 2.151 9.598 -8.368 1.00 43.45 C ATOM 1200 C ASP A 73 3.102 9.985 -9.538 1.00 12.50 C ATOM 1201 O ASP A 73 2.671 10.576 -10.534 1.00 10.22 O ATOM 1202 CB ASP A 73 2.222 10.639 -7.224 1.00 43.24 C ATOM 1203 CG ASP A 73 1.713 12.029 -7.641 1.00 33.13 C ATOM 1204 OD1 ASP A 73 0.481 12.242 -7.662 1.00 54.04 O ATOM 1205 OD2 ASP A 73 2.538 12.911 -7.970 1.00 4.23 O ATOM 0 H ASP A 73 2.740 8.227 -6.866 1.00 42.13 H new ATOM 0 HA ASP A 73 1.133 9.587 -8.756 1.00 43.45 H new ATOM 0 HB2 ASP A 73 1.634 10.282 -6.379 1.00 43.24 H new ATOM 0 HB3 ASP A 73 3.253 10.724 -6.882 1.00 43.24 H new ATOM 1210 N LYS A 74 4.389 9.611 -9.412 1.00 61.52 N ATOM 1211 CA LYS A 74 5.399 9.788 -10.481 1.00 72.23 C ATOM 1212 C LYS A 74 5.185 8.783 -11.643 1.00 54.21 C ATOM 1213 O LYS A 74 5.503 9.081 -12.788 1.00 50.44 O ATOM 1214 CB LYS A 74 6.821 9.678 -9.889 1.00 10.42 C ATOM 1215 CG LYS A 74 7.249 10.943 -9.113 1.00 52.23 C ATOM 1216 CD LYS A 74 8.547 10.763 -8.305 1.00 75.25 C ATOM 1217 CE LYS A 74 9.761 10.380 -9.172 1.00 14.31 C ATOM 1218 NZ LYS A 74 11.023 10.350 -8.384 1.00 43.42 N ATOM 0 H LYS A 74 4.761 9.177 -8.567 1.00 61.52 H new ATOM 0 HA LYS A 74 5.279 10.785 -10.904 1.00 72.23 H new ATOM 0 HB2 LYS A 74 6.866 8.817 -9.223 1.00 10.42 H new ATOM 0 HB3 LYS A 74 7.531 9.495 -10.695 1.00 10.42 H new ATOM 0 HG2 LYS A 74 7.381 11.764 -9.818 1.00 52.23 H new ATOM 0 HG3 LYS A 74 6.446 11.232 -8.435 1.00 52.23 H new ATOM 0 HD2 LYS A 74 8.767 11.689 -7.774 1.00 75.25 H new ATOM 0 HD3 LYS A 74 8.392 9.992 -7.550 1.00 75.25 H new ATOM 0 HE2 LYS A 74 9.591 9.402 -9.621 1.00 14.31 H new ATOM 0 HE3 LYS A 74 9.861 11.093 -9.990 1.00 14.31 H new ATOM 0 HZ1 LYS A 74 11.814 10.088 -9.006 1.00 43.42 H new ATOM 0 HZ2 LYS A 74 11.200 11.290 -7.976 1.00 43.42 H new ATOM 0 HZ3 LYS A 74 10.938 9.651 -7.619 1.00 43.42 H new ATOM 1232 N MET A 75 4.647 7.590 -11.330 1.00 3.23 N ATOM 1233 CA MET A 75 4.273 6.578 -12.348 1.00 62.10 C ATOM 1234 C MET A 75 3.125 7.076 -13.256 1.00 20.15 C ATOM 1235 O MET A 75 3.154 6.845 -14.466 1.00 42.20 O ATOM 1236 CB MET A 75 3.867 5.248 -11.671 1.00 24.24 C ATOM 1237 CG MET A 75 5.017 4.500 -10.994 1.00 5.40 C ATOM 1238 SD MET A 75 4.424 3.019 -10.154 1.00 34.44 S ATOM 1239 CE MET A 75 5.843 1.935 -10.250 1.00 42.02 C ATOM 0 H MET A 75 4.458 7.297 -10.371 1.00 3.23 H new ATOM 0 HA MET A 75 5.150 6.410 -12.973 1.00 62.10 H new ATOM 0 HB2 MET A 75 3.098 5.454 -10.927 1.00 24.24 H new ATOM 0 HB3 MET A 75 3.419 4.596 -12.421 1.00 24.24 H new ATOM 0 HG2 MET A 75 5.764 4.225 -11.739 1.00 5.40 H new ATOM 0 HG3 MET A 75 5.509 5.156 -10.276 1.00 5.40 H new ATOM 0 HE1 MET A 75 5.551 0.993 -10.715 1.00 42.02 H new ATOM 0 HE2 MET A 75 6.622 2.408 -10.847 1.00 42.02 H new ATOM 0 HE3 MET A 75 6.222 1.742 -9.246 1.00 42.02 H new ATOM 1249 N LEU A 76 2.131 7.781 -12.649 1.00 21.21 N ATOM 1250 CA LEU A 76 0.965 8.371 -13.377 1.00 14.02 C ATOM 1251 C LEU A 76 1.399 9.272 -14.564 1.00 4.11 C ATOM 1252 O LEU A 76 0.627 9.491 -15.501 1.00 51.51 O ATOM 1253 CB LEU A 76 0.030 9.169 -12.398 1.00 32.14 C ATOM 1254 CG LEU A 76 -1.242 8.410 -11.882 1.00 32.15 C ATOM 1255 CD1 LEU A 76 -2.115 7.931 -13.059 1.00 42.53 C ATOM 1256 CD2 LEU A 76 -0.875 7.238 -10.949 1.00 43.54 C ATOM 0 H LEU A 76 2.112 7.958 -11.645 1.00 21.21 H new ATOM 0 HA LEU A 76 0.405 7.534 -13.793 1.00 14.02 H new ATOM 0 HB2 LEU A 76 0.620 9.475 -11.534 1.00 32.14 H new ATOM 0 HB3 LEU A 76 -0.295 10.080 -12.901 1.00 32.14 H new ATOM 0 HG LEU A 76 -1.825 9.118 -11.293 1.00 32.15 H new ATOM 0 HD11 LEU A 76 -2.990 7.408 -12.674 1.00 42.53 H new ATOM 0 HD12 LEU A 76 -2.436 8.791 -13.647 1.00 42.53 H new ATOM 0 HD13 LEU A 76 -1.537 7.255 -13.689 1.00 42.53 H new ATOM 0 HD21 LEU A 76 -1.785 6.740 -10.615 1.00 43.54 H new ATOM 0 HD22 LEU A 76 -0.249 6.527 -11.488 1.00 43.54 H new ATOM 0 HD23 LEU A 76 -0.331 7.618 -10.084 1.00 43.54 H new ATOM 1268 N ASN A 77 2.624 9.802 -14.498 1.00 24.45 N ATOM 1269 CA ASN A 77 3.279 10.481 -15.627 1.00 40.34 C ATOM 1270 C ASN A 77 4.435 9.606 -16.166 1.00 33.10 C ATOM 1271 O ASN A 77 5.466 9.411 -15.520 1.00 0.01 O ATOM 1272 CB ASN A 77 3.729 11.909 -15.225 1.00 24.00 C ATOM 1273 CG ASN A 77 4.346 11.999 -13.820 1.00 52.31 C ATOM 1274 OD1 ASN A 77 5.552 11.928 -13.651 1.00 23.15 O ATOM 1275 ND2 ASN A 77 3.514 12.127 -12.802 1.00 1.33 N ATOM 0 H ASN A 77 3.196 9.773 -13.654 1.00 24.45 H new ATOM 0 HA ASN A 77 2.567 10.608 -16.442 1.00 40.34 H new ATOM 0 HB2 ASN A 77 4.456 12.268 -15.953 1.00 24.00 H new ATOM 0 HB3 ASN A 77 2.870 12.577 -15.276 1.00 24.00 H new ATOM 0 HD21 ASN A 77 3.876 12.169 -11.849 1.00 1.33 H new ATOM 0 HD22 ASN A 77 2.509 12.184 -12.969 1.00 1.33 H new ATOM 1282 N SER A 78 4.236 9.106 -17.397 1.00 54.54 N ATOM 1283 CA SER A 78 5.141 8.152 -18.094 1.00 1.03 C ATOM 1284 C SER A 78 6.547 8.737 -18.403 1.00 51.24 C ATOM 1285 O SER A 78 7.427 8.026 -18.894 1.00 40.31 O ATOM 1286 CB SER A 78 4.445 7.695 -19.397 1.00 61.02 C ATOM 1287 OG SER A 78 5.227 6.764 -20.139 1.00 22.02 O ATOM 0 H SER A 78 3.421 9.356 -17.958 1.00 54.54 H new ATOM 0 HA SER A 78 5.320 7.310 -17.425 1.00 1.03 H new ATOM 0 HB2 SER A 78 3.484 7.242 -19.152 1.00 61.02 H new ATOM 0 HB3 SER A 78 4.238 8.566 -20.018 1.00 61.02 H new ATOM 0 HG SER A 78 5.100 5.864 -19.772 1.00 22.02 H new ATOM 1293 N GLU A 79 6.749 10.030 -18.083 1.00 22.04 N ATOM 1294 CA GLU A 79 8.061 10.712 -18.180 1.00 64.54 C ATOM 1295 C GLU A 79 9.134 10.028 -17.282 1.00 62.12 C ATOM 1296 O GLU A 79 10.339 10.122 -17.538 1.00 13.31 O ATOM 1297 CB GLU A 79 7.884 12.198 -17.762 1.00 43.21 C ATOM 1298 CG GLU A 79 7.416 12.403 -16.308 1.00 12.11 C ATOM 1299 CD GLU A 79 7.316 13.878 -15.898 1.00 2.33 C ATOM 1300 OE1 GLU A 79 6.319 14.541 -16.261 1.00 25.03 O ATOM 1301 OE2 GLU A 79 8.250 14.388 -15.237 1.00 10.24 O ATOM 0 H GLU A 79 6.002 10.638 -17.747 1.00 22.04 H new ATOM 0 HA GLU A 79 8.412 10.648 -19.210 1.00 64.54 H new ATOM 0 HB2 GLU A 79 8.833 12.717 -17.901 1.00 43.21 H new ATOM 0 HB3 GLU A 79 7.163 12.667 -18.432 1.00 43.21 H new ATOM 0 HG2 GLU A 79 6.442 11.932 -16.179 1.00 12.11 H new ATOM 0 HG3 GLU A 79 8.108 11.894 -15.637 1.00 12.11 H new ATOM 1308 N ILE A 80 8.650 9.351 -16.231 1.00 31.21 N ATOM 1309 CA ILE A 80 9.469 8.659 -15.212 1.00 13.34 C ATOM 1310 C ILE A 80 9.728 7.169 -15.591 1.00 24.11 C ATOM 1311 O ILE A 80 10.768 6.602 -15.211 1.00 10.30 O ATOM 1312 CB ILE A 80 8.711 8.770 -13.836 1.00 54.04 C ATOM 1313 CG1 ILE A 80 8.503 10.277 -13.454 1.00 14.12 C ATOM 1314 CG2 ILE A 80 9.409 7.990 -12.693 1.00 64.45 C ATOM 1315 CD1 ILE A 80 9.757 11.026 -13.018 1.00 15.55 C ATOM 0 H ILE A 80 7.649 9.264 -16.057 1.00 31.21 H new ATOM 0 HA ILE A 80 10.450 9.130 -15.146 1.00 13.34 H new ATOM 0 HB ILE A 80 7.737 8.298 -13.967 1.00 54.04 H new ATOM 0 HG12 ILE A 80 8.072 10.794 -14.311 1.00 14.12 H new ATOM 0 HG13 ILE A 80 7.771 10.331 -12.648 1.00 14.12 H new ATOM 0 HG21 ILE A 80 8.838 8.106 -11.772 1.00 64.45 H new ATOM 0 HG22 ILE A 80 9.465 6.933 -12.955 1.00 64.45 H new ATOM 0 HG23 ILE A 80 10.416 8.381 -12.548 1.00 64.45 H new ATOM 0 HD11 ILE A 80 9.500 12.057 -12.777 1.00 15.55 H new ATOM 0 HD12 ILE A 80 10.182 10.543 -12.138 1.00 15.55 H new ATOM 0 HD13 ILE A 80 10.488 11.014 -13.827 1.00 15.55 H new ATOM 1327 N LYS A 81 8.791 6.572 -16.371 1.00 24.55 N ATOM 1328 CA LYS A 81 8.760 5.114 -16.710 1.00 33.55 C ATOM 1329 C LYS A 81 8.469 4.222 -15.470 1.00 41.30 C ATOM 1330 O LYS A 81 8.990 4.447 -14.370 1.00 64.22 O ATOM 1331 CB LYS A 81 10.051 4.618 -17.456 1.00 44.50 C ATOM 1332 CG LYS A 81 10.065 4.833 -18.993 1.00 33.34 C ATOM 1333 CD LYS A 81 10.098 6.310 -19.433 1.00 1.23 C ATOM 1334 CE LYS A 81 11.372 7.051 -18.989 1.00 12.44 C ATOM 1335 NZ LYS A 81 11.434 8.425 -19.544 1.00 4.43 N ATOM 0 H LYS A 81 8.021 7.093 -16.792 1.00 24.55 H new ATOM 0 HA LYS A 81 7.929 5.007 -17.407 1.00 33.55 H new ATOM 0 HB2 LYS A 81 10.914 5.128 -17.028 1.00 44.50 H new ATOM 0 HB3 LYS A 81 10.178 3.554 -17.255 1.00 44.50 H new ATOM 0 HG2 LYS A 81 10.934 4.324 -19.410 1.00 33.34 H new ATOM 0 HG3 LYS A 81 9.182 4.359 -19.421 1.00 33.34 H new ATOM 0 HD2 LYS A 81 10.017 6.360 -20.519 1.00 1.23 H new ATOM 0 HD3 LYS A 81 9.227 6.823 -19.025 1.00 1.23 H new ATOM 0 HE2 LYS A 81 11.404 7.097 -17.900 1.00 12.44 H new ATOM 0 HE3 LYS A 81 12.249 6.490 -19.310 1.00 12.44 H new ATOM 0 HZ1 LYS A 81 12.422 8.669 -19.756 1.00 4.43 H new ATOM 0 HZ2 LYS A 81 10.871 8.473 -20.417 1.00 4.43 H new ATOM 0 HZ3 LYS A 81 11.053 9.098 -18.849 1.00 4.43 H new ATOM 1349 N ILE A 82 7.626 3.201 -15.681 1.00 12.11 N ATOM 1350 CA ILE A 82 7.206 2.261 -14.630 1.00 40.51 C ATOM 1351 C ILE A 82 8.120 1.018 -14.666 1.00 33.23 C ATOM 1352 O ILE A 82 7.876 0.047 -15.399 1.00 52.22 O ATOM 1353 CB ILE A 82 5.672 1.871 -14.771 1.00 24.33 C ATOM 1354 CG1 ILE A 82 4.734 3.121 -14.611 1.00 25.31 C ATOM 1355 CG2 ILE A 82 5.266 0.784 -13.753 1.00 61.43 C ATOM 1356 CD1 ILE A 82 4.759 4.132 -15.744 1.00 55.31 C ATOM 0 H ILE A 82 7.213 3.002 -16.592 1.00 12.11 H new ATOM 0 HA ILE A 82 7.309 2.745 -13.659 1.00 40.51 H new ATOM 0 HB ILE A 82 5.547 1.472 -15.778 1.00 24.33 H new ATOM 0 HG12 ILE A 82 3.710 2.767 -14.491 1.00 25.31 H new ATOM 0 HG13 ILE A 82 5.004 3.635 -13.688 1.00 25.31 H new ATOM 0 HG21 ILE A 82 4.210 0.543 -13.879 1.00 61.43 H new ATOM 0 HG22 ILE A 82 5.865 -0.112 -13.919 1.00 61.43 H new ATOM 0 HG23 ILE A 82 5.435 1.152 -12.741 1.00 61.43 H new ATOM 0 HD11 ILE A 82 4.072 4.948 -15.519 1.00 55.31 H new ATOM 0 HD12 ILE A 82 5.768 4.528 -15.856 1.00 55.31 H new ATOM 0 HD13 ILE A 82 4.455 3.647 -16.671 1.00 55.31 H new ATOM 1368 N THR A 83 9.220 1.107 -13.898 1.00 14.32 N ATOM 1369 CA THR A 83 10.271 0.072 -13.860 1.00 50.33 C ATOM 1370 C THR A 83 9.744 -1.242 -13.228 1.00 53.41 C ATOM 1371 O THR A 83 9.158 -1.211 -12.152 1.00 50.42 O ATOM 1372 CB THR A 83 11.532 0.597 -13.088 1.00 71.13 C ATOM 1373 OG1 THR A 83 12.062 1.754 -13.752 1.00 41.44 O ATOM 1374 CG2 THR A 83 12.641 -0.468 -12.944 1.00 31.14 C ATOM 0 H THR A 83 9.407 1.900 -13.284 1.00 14.32 H new ATOM 0 HA THR A 83 10.563 -0.149 -14.887 1.00 50.33 H new ATOM 0 HB THR A 83 11.201 0.852 -12.081 1.00 71.13 H new ATOM 0 HG1 THR A 83 12.848 2.079 -13.265 1.00 41.44 H new ATOM 0 HG21 THR A 83 13.485 -0.043 -12.401 1.00 31.14 H new ATOM 0 HG22 THR A 83 12.252 -1.326 -12.396 1.00 31.14 H new ATOM 0 HG23 THR A 83 12.969 -0.788 -13.933 1.00 31.14 H new ATOM 1382 N SER A 84 9.987 -2.385 -13.903 1.00 23.44 N ATOM 1383 CA SER A 84 9.404 -3.706 -13.542 1.00 22.52 C ATOM 1384 C SER A 84 9.842 -4.209 -12.140 1.00 15.14 C ATOM 1385 O SER A 84 9.010 -4.683 -11.360 1.00 5.51 O ATOM 1386 CB SER A 84 9.764 -4.753 -14.619 1.00 13.30 C ATOM 1387 OG SER A 84 9.269 -4.373 -15.898 1.00 33.03 O ATOM 0 H SER A 84 10.596 -2.423 -14.720 1.00 23.44 H new ATOM 0 HA SER A 84 8.323 -3.570 -13.498 1.00 22.52 H new ATOM 0 HB2 SER A 84 10.847 -4.871 -14.666 1.00 13.30 H new ATOM 0 HB3 SER A 84 9.350 -5.722 -14.340 1.00 13.30 H new ATOM 0 HG SER A 84 9.514 -5.054 -16.559 1.00 33.03 H new ATOM 1393 N ASP A 85 11.149 -4.107 -11.828 1.00 53.11 N ATOM 1394 CA ASP A 85 11.673 -4.450 -10.478 1.00 61.12 C ATOM 1395 C ASP A 85 11.282 -3.390 -9.421 1.00 64.23 C ATOM 1396 O ASP A 85 11.308 -3.662 -8.221 1.00 53.33 O ATOM 1397 CB ASP A 85 13.203 -4.616 -10.514 1.00 61.30 C ATOM 1398 CG ASP A 85 13.663 -5.847 -11.313 1.00 54.01 C ATOM 1399 OD1 ASP A 85 13.795 -5.752 -12.550 1.00 31.13 O ATOM 1400 OD2 ASP A 85 13.883 -6.920 -10.707 1.00 22.53 O ATOM 0 H ASP A 85 11.863 -3.792 -12.484 1.00 53.11 H new ATOM 0 HA ASP A 85 11.217 -5.397 -10.188 1.00 61.12 H new ATOM 0 HB2 ASP A 85 13.648 -3.722 -10.950 1.00 61.30 H new ATOM 0 HB3 ASP A 85 13.577 -4.694 -9.493 1.00 61.30 H new ATOM 1405 N LEU A 86 10.947 -2.177 -9.863 1.00 23.23 N ATOM 1406 CA LEU A 86 10.416 -1.130 -8.965 1.00 25.30 C ATOM 1407 C LEU A 86 8.943 -1.413 -8.581 1.00 14.42 C ATOM 1408 O LEU A 86 8.518 -1.085 -7.474 1.00 23.11 O ATOM 1409 CB LEU A 86 10.550 0.259 -9.607 1.00 72.33 C ATOM 1410 CG LEU A 86 10.047 1.453 -8.751 1.00 32.15 C ATOM 1411 CD1 LEU A 86 10.961 1.719 -7.530 1.00 70.33 C ATOM 1412 CD2 LEU A 86 9.860 2.711 -9.628 1.00 13.11 C ATOM 0 H LEU A 86 11.031 -1.887 -10.837 1.00 23.23 H new ATOM 0 HA LEU A 86 11.010 -1.145 -8.051 1.00 25.30 H new ATOM 0 HB2 LEU A 86 11.600 0.427 -9.848 1.00 72.33 H new ATOM 0 HB3 LEU A 86 10.003 0.257 -10.550 1.00 72.33 H new ATOM 0 HG LEU A 86 9.071 1.186 -8.345 1.00 32.15 H new ATOM 0 HD11 LEU A 86 10.571 2.562 -6.960 1.00 70.33 H new ATOM 0 HD12 LEU A 86 10.987 0.833 -6.895 1.00 70.33 H new ATOM 0 HD13 LEU A 86 11.970 1.949 -7.874 1.00 70.33 H new ATOM 0 HD21 LEU A 86 9.507 3.536 -9.010 1.00 13.11 H new ATOM 0 HD22 LEU A 86 10.812 2.981 -10.085 1.00 13.11 H new ATOM 0 HD23 LEU A 86 9.129 2.504 -10.409 1.00 13.11 H new ATOM 1424 N ILE A 87 8.177 -2.015 -9.512 1.00 70.11 N ATOM 1425 CA ILE A 87 6.822 -2.550 -9.217 1.00 74.24 C ATOM 1426 C ILE A 87 6.925 -3.619 -8.091 1.00 33.50 C ATOM 1427 O ILE A 87 6.056 -3.718 -7.219 1.00 54.13 O ATOM 1428 CB ILE A 87 6.168 -3.208 -10.495 1.00 5.34 C ATOM 1429 CG1 ILE A 87 6.135 -2.220 -11.703 1.00 55.41 C ATOM 1430 CG2 ILE A 87 4.742 -3.745 -10.203 1.00 31.23 C ATOM 1431 CD1 ILE A 87 5.733 -2.852 -13.032 1.00 52.54 C ATOM 0 H ILE A 87 8.470 -2.146 -10.480 1.00 70.11 H new ATOM 0 HA ILE A 87 6.192 -1.719 -8.900 1.00 74.24 H new ATOM 0 HB ILE A 87 6.801 -4.054 -10.764 1.00 5.34 H new ATOM 0 HG12 ILE A 87 5.440 -1.412 -11.475 1.00 55.41 H new ATOM 0 HG13 ILE A 87 7.121 -1.770 -11.814 1.00 55.41 H new ATOM 0 HG21 ILE A 87 4.328 -4.189 -11.108 1.00 31.23 H new ATOM 0 HG22 ILE A 87 4.791 -4.500 -9.418 1.00 31.23 H new ATOM 0 HG23 ILE A 87 4.104 -2.924 -9.877 1.00 31.23 H new ATOM 0 HD11 ILE A 87 5.738 -2.091 -13.813 1.00 52.54 H new ATOM 0 HD12 ILE A 87 6.441 -3.640 -13.289 1.00 52.54 H new ATOM 0 HD13 ILE A 87 4.733 -3.277 -12.945 1.00 52.54 H new ATOM 1443 N ASP A 88 8.042 -4.386 -8.126 1.00 24.05 N ATOM 1444 CA ASP A 88 8.394 -5.391 -7.101 1.00 1.11 C ATOM 1445 C ASP A 88 8.766 -4.714 -5.758 1.00 5.13 C ATOM 1446 O ASP A 88 8.535 -5.280 -4.677 1.00 72.42 O ATOM 1447 CB ASP A 88 9.579 -6.237 -7.611 1.00 63.25 C ATOM 1448 CG ASP A 88 10.022 -7.341 -6.633 1.00 24.13 C ATOM 1449 OD1 ASP A 88 9.333 -8.375 -6.534 1.00 20.22 O ATOM 1450 OD2 ASP A 88 11.051 -7.160 -5.942 1.00 5.42 O ATOM 0 H ASP A 88 8.730 -4.321 -8.877 1.00 24.05 H new ATOM 0 HA ASP A 88 7.529 -6.030 -6.924 1.00 1.11 H new ATOM 0 HB2 ASP A 88 9.304 -6.695 -8.561 1.00 63.25 H new ATOM 0 HB3 ASP A 88 10.425 -5.579 -7.808 1.00 63.25 H new ATOM 1455 N LYS A 89 9.356 -3.505 -5.846 1.00 5.40 N ATOM 1456 CA LYS A 89 9.722 -2.713 -4.657 1.00 72.03 C ATOM 1457 C LYS A 89 8.446 -2.230 -3.932 1.00 32.41 C ATOM 1458 O LYS A 89 8.373 -2.267 -2.704 1.00 4.33 O ATOM 1459 CB LYS A 89 10.628 -1.515 -5.043 1.00 1.33 C ATOM 1460 CG LYS A 89 11.476 -0.989 -3.870 1.00 64.03 C ATOM 1461 CD LYS A 89 12.428 0.154 -4.272 1.00 2.32 C ATOM 1462 CE LYS A 89 13.412 0.499 -3.147 1.00 2.43 C ATOM 1463 NZ LYS A 89 14.375 -0.607 -2.891 1.00 42.21 N ATOM 0 H LYS A 89 9.589 -3.056 -6.731 1.00 5.40 H new ATOM 0 HA LYS A 89 10.290 -3.349 -3.978 1.00 72.03 H new ATOM 0 HB2 LYS A 89 11.290 -1.816 -5.855 1.00 1.33 H new ATOM 0 HB3 LYS A 89 10.005 -0.705 -5.424 1.00 1.33 H new ATOM 0 HG2 LYS A 89 10.813 -0.639 -3.079 1.00 64.03 H new ATOM 0 HG3 LYS A 89 12.060 -1.811 -3.456 1.00 64.03 H new ATOM 0 HD2 LYS A 89 12.983 -0.133 -5.165 1.00 2.32 H new ATOM 0 HD3 LYS A 89 11.845 1.039 -4.529 1.00 2.32 H new ATOM 0 HE2 LYS A 89 13.960 1.404 -3.409 1.00 2.43 H new ATOM 0 HE3 LYS A 89 12.858 0.716 -2.234 1.00 2.43 H new ATOM 0 HZ1 LYS A 89 15.167 -0.252 -2.318 1.00 42.21 H new ATOM 0 HZ2 LYS A 89 13.894 -1.374 -2.379 1.00 42.21 H new ATOM 0 HZ3 LYS A 89 14.737 -0.969 -3.796 1.00 42.21 H new ATOM 1477 N VAL A 90 7.436 -1.817 -4.736 1.00 34.01 N ATOM 1478 CA VAL A 90 6.078 -1.469 -4.246 1.00 55.03 C ATOM 1479 C VAL A 90 5.469 -2.654 -3.446 1.00 61.22 C ATOM 1480 O VAL A 90 4.951 -2.462 -2.339 1.00 1.43 O ATOM 1481 CB VAL A 90 5.111 -1.083 -5.440 1.00 33.23 C ATOM 1482 CG1 VAL A 90 3.692 -0.712 -4.938 1.00 24.04 C ATOM 1483 CG2 VAL A 90 5.704 0.057 -6.309 1.00 65.33 C ATOM 0 H VAL A 90 7.540 -1.715 -5.746 1.00 34.01 H new ATOM 0 HA VAL A 90 6.179 -0.603 -3.592 1.00 55.03 H new ATOM 0 HB VAL A 90 5.017 -1.969 -6.068 1.00 33.23 H new ATOM 0 HG11 VAL A 90 3.061 -0.454 -5.789 1.00 24.04 H new ATOM 0 HG12 VAL A 90 3.259 -1.562 -4.410 1.00 24.04 H new ATOM 0 HG13 VAL A 90 3.757 0.141 -4.262 1.00 24.04 H new ATOM 0 HG21 VAL A 90 5.013 0.295 -7.118 1.00 65.33 H new ATOM 0 HG22 VAL A 90 5.859 0.942 -5.692 1.00 65.33 H new ATOM 0 HG23 VAL A 90 6.657 -0.264 -6.729 1.00 65.33 H new ATOM 1493 N LYS A 91 5.596 -3.878 -4.017 1.00 3.54 N ATOM 1494 CA LYS A 91 5.104 -5.134 -3.388 1.00 70.13 C ATOM 1495 C LYS A 91 5.716 -5.348 -1.988 1.00 63.13 C ATOM 1496 O LYS A 91 4.994 -5.510 -1.010 1.00 24.41 O ATOM 1497 CB LYS A 91 5.446 -6.373 -4.269 1.00 32.02 C ATOM 1498 CG LYS A 91 4.905 -6.316 -5.703 1.00 31.41 C ATOM 1499 CD LYS A 91 5.239 -7.585 -6.532 1.00 61.14 C ATOM 1500 CE LYS A 91 4.431 -8.818 -6.090 1.00 72.43 C ATOM 1501 NZ LYS A 91 2.986 -8.689 -6.426 1.00 75.41 N ATOM 0 H LYS A 91 6.041 -4.024 -4.923 1.00 3.54 H new ATOM 0 HA LYS A 91 4.023 -5.031 -3.296 1.00 70.13 H new ATOM 0 HB2 LYS A 91 6.530 -6.484 -4.309 1.00 32.02 H new ATOM 0 HB3 LYS A 91 5.052 -7.266 -3.783 1.00 32.02 H new ATOM 0 HG2 LYS A 91 3.823 -6.184 -5.672 1.00 31.41 H new ATOM 0 HG3 LYS A 91 5.318 -5.442 -6.206 1.00 31.41 H new ATOM 0 HD2 LYS A 91 5.043 -7.387 -7.586 1.00 61.14 H new ATOM 0 HD3 LYS A 91 6.303 -7.803 -6.441 1.00 61.14 H new ATOM 0 HE2 LYS A 91 4.837 -9.708 -6.570 1.00 72.43 H new ATOM 0 HE3 LYS A 91 4.542 -8.958 -5.015 1.00 72.43 H new ATOM 0 HZ1 LYS A 91 2.413 -9.049 -5.636 1.00 75.41 H new ATOM 0 HZ2 LYS A 91 2.756 -7.689 -6.593 1.00 75.41 H new ATOM 0 HZ3 LYS A 91 2.778 -9.240 -7.284 1.00 75.41 H new ATOM 1515 N LYS A 92 7.061 -5.275 -1.910 1.00 32.41 N ATOM 1516 CA LYS A 92 7.815 -5.566 -0.675 1.00 65.51 C ATOM 1517 C LYS A 92 7.473 -4.577 0.472 1.00 2.04 C ATOM 1518 O LYS A 92 7.454 -4.964 1.637 1.00 14.13 O ATOM 1519 CB LYS A 92 9.333 -5.539 -0.965 1.00 13.13 C ATOM 1520 CG LYS A 92 10.224 -5.844 0.256 1.00 10.12 C ATOM 1521 CD LYS A 92 10.088 -7.303 0.759 1.00 11.33 C ATOM 1522 CE LYS A 92 10.924 -7.561 2.027 1.00 0.43 C ATOM 1523 NZ LYS A 92 12.373 -7.272 1.817 1.00 11.11 N ATOM 0 H LYS A 92 7.652 -5.014 -2.699 1.00 32.41 H new ATOM 0 HA LYS A 92 7.522 -6.561 -0.341 1.00 65.51 H new ATOM 0 HB2 LYS A 92 9.553 -6.263 -1.749 1.00 13.13 H new ATOM 0 HB3 LYS A 92 9.598 -4.556 -1.355 1.00 13.13 H new ATOM 0 HG2 LYS A 92 11.265 -5.651 -0.004 1.00 10.12 H new ATOM 0 HG3 LYS A 92 9.966 -5.161 1.066 1.00 10.12 H new ATOM 0 HD2 LYS A 92 9.040 -7.518 0.967 1.00 11.33 H new ATOM 0 HD3 LYS A 92 10.404 -7.988 -0.028 1.00 11.33 H new ATOM 0 HE2 LYS A 92 10.546 -6.942 2.841 1.00 0.43 H new ATOM 0 HE3 LYS A 92 10.804 -8.600 2.334 1.00 0.43 H new ATOM 0 HZ1 LYS A 92 12.909 -7.555 2.662 1.00 11.11 H new ATOM 0 HZ2 LYS A 92 12.717 -7.805 0.993 1.00 11.11 H new ATOM 0 HZ3 LYS A 92 12.503 -6.254 1.650 1.00 11.11 H new ATOM 1537 N LYS A 93 7.212 -3.311 0.116 1.00 41.03 N ATOM 1538 CA LYS A 93 6.867 -2.247 1.090 1.00 32.40 C ATOM 1539 C LYS A 93 5.524 -2.511 1.826 1.00 33.10 C ATOM 1540 O LYS A 93 5.434 -2.324 3.042 1.00 21.40 O ATOM 1541 CB LYS A 93 6.812 -0.881 0.377 1.00 23.35 C ATOM 1542 CG LYS A 93 8.151 -0.389 -0.216 1.00 44.32 C ATOM 1543 CD LYS A 93 9.243 -0.126 0.849 1.00 45.04 C ATOM 1544 CE LYS A 93 10.548 0.404 0.229 1.00 65.25 C ATOM 1545 NZ LYS A 93 11.560 0.730 1.267 1.00 21.14 N ATOM 0 H LYS A 93 7.232 -2.989 -0.852 1.00 41.03 H new ATOM 0 HA LYS A 93 7.650 -2.245 1.848 1.00 32.40 H new ATOM 0 HB2 LYS A 93 6.078 -0.939 -0.426 1.00 23.35 H new ATOM 0 HB3 LYS A 93 6.452 -0.135 1.085 1.00 23.35 H new ATOM 0 HG2 LYS A 93 8.519 -1.131 -0.925 1.00 44.32 H new ATOM 0 HG3 LYS A 93 7.975 0.529 -0.777 1.00 44.32 H new ATOM 0 HD2 LYS A 93 8.871 0.594 1.578 1.00 45.04 H new ATOM 0 HD3 LYS A 93 9.449 -1.049 1.390 1.00 45.04 H new ATOM 0 HE2 LYS A 93 10.955 -0.342 -0.454 1.00 65.25 H new ATOM 0 HE3 LYS A 93 10.334 1.294 -0.362 1.00 65.25 H new ATOM 0 HZ1 LYS A 93 12.425 1.084 0.810 1.00 21.14 H new ATOM 0 HZ2 LYS A 93 11.181 1.460 1.904 1.00 21.14 H new ATOM 0 HZ3 LYS A 93 11.783 -0.125 1.815 1.00 21.14 H new ATOM 1559 N LEU A 94 4.478 -2.912 1.078 1.00 23.53 N ATOM 1560 CA LEU A 94 3.147 -3.243 1.668 1.00 44.10 C ATOM 1561 C LEU A 94 3.120 -4.670 2.284 1.00 33.41 C ATOM 1562 O LEU A 94 2.364 -4.936 3.223 1.00 21.24 O ATOM 1563 CB LEU A 94 2.016 -2.997 0.627 1.00 3.23 C ATOM 1564 CG LEU A 94 2.206 -3.636 -0.797 1.00 72.34 C ATOM 1565 CD1 LEU A 94 1.547 -5.021 -0.917 1.00 71.40 C ATOM 1566 CD2 LEU A 94 1.724 -2.682 -1.910 1.00 32.23 C ATOM 0 H LEU A 94 4.519 -3.017 0.064 1.00 23.53 H new ATOM 0 HA LEU A 94 2.962 -2.569 2.504 1.00 44.10 H new ATOM 0 HB2 LEU A 94 1.083 -3.373 1.045 1.00 3.23 H new ATOM 0 HB3 LEU A 94 1.898 -1.921 0.502 1.00 3.23 H new ATOM 0 HG LEU A 94 3.277 -3.791 -0.929 1.00 72.34 H new ATOM 0 HD11 LEU A 94 1.709 -5.415 -1.920 1.00 71.40 H new ATOM 0 HD12 LEU A 94 1.988 -5.698 -0.185 1.00 71.40 H new ATOM 0 HD13 LEU A 94 0.477 -4.932 -0.731 1.00 71.40 H new ATOM 0 HD21 LEU A 94 1.869 -3.154 -2.882 1.00 32.23 H new ATOM 0 HD22 LEU A 94 0.666 -2.462 -1.768 1.00 32.23 H new ATOM 0 HD23 LEU A 94 2.296 -1.755 -1.868 1.00 32.23 H new ATOM 1578 N ASP A 95 3.968 -5.574 1.760 1.00 21.22 N ATOM 1579 CA ASP A 95 4.281 -6.876 2.408 1.00 73.24 C ATOM 1580 C ASP A 95 4.940 -6.654 3.795 1.00 71.03 C ATOM 1581 O ASP A 95 4.654 -7.364 4.765 1.00 13.34 O ATOM 1582 CB ASP A 95 5.224 -7.715 1.487 1.00 63.45 C ATOM 1583 CG ASP A 95 4.463 -8.630 0.506 1.00 73.42 C ATOM 1584 OD1 ASP A 95 3.975 -8.152 -0.540 1.00 63.01 O ATOM 1585 OD2 ASP A 95 4.351 -9.841 0.784 1.00 10.42 O ATOM 0 H ASP A 95 4.458 -5.430 0.877 1.00 21.22 H new ATOM 0 HA ASP A 95 3.350 -7.424 2.557 1.00 73.24 H new ATOM 0 HB2 ASP A 95 5.863 -7.038 0.920 1.00 63.45 H new ATOM 0 HB3 ASP A 95 5.879 -8.326 2.109 1.00 63.45 H new ATOM 1590 N MET A 96 5.806 -5.634 3.857 1.00 21.21 N ATOM 1591 CA MET A 96 6.538 -5.213 5.076 1.00 2.25 C ATOM 1592 C MET A 96 5.580 -4.717 6.191 1.00 31.12 C ATOM 1593 O MET A 96 5.883 -4.837 7.378 1.00 3.21 O ATOM 1594 CB MET A 96 7.542 -4.108 4.679 1.00 70.45 C ATOM 1595 CG MET A 96 8.297 -3.421 5.820 1.00 14.05 C ATOM 1596 SD MET A 96 9.419 -2.130 5.223 1.00 3.34 S ATOM 1597 CE MET A 96 10.460 -3.038 4.075 1.00 4.01 C ATOM 0 H MET A 96 6.028 -5.059 3.044 1.00 21.21 H new ATOM 0 HA MET A 96 7.066 -6.073 5.488 1.00 2.25 H new ATOM 0 HB2 MET A 96 8.275 -4.543 4.000 1.00 70.45 H new ATOM 0 HB3 MET A 96 7.003 -3.344 4.119 1.00 70.45 H new ATOM 0 HG2 MET A 96 7.580 -2.983 6.515 1.00 14.05 H new ATOM 0 HG3 MET A 96 8.867 -4.166 6.376 1.00 14.05 H new ATOM 0 HE1 MET A 96 11.379 -2.479 3.896 1.00 4.01 H new ATOM 0 HE2 MET A 96 10.705 -4.012 4.498 1.00 4.01 H new ATOM 0 HE3 MET A 96 9.929 -3.175 3.133 1.00 4.01 H new ATOM 1607 N VAL A 97 4.428 -4.172 5.778 1.00 22.31 N ATOM 1608 CA VAL A 97 3.371 -3.698 6.700 1.00 34.23 C ATOM 1609 C VAL A 97 2.746 -4.881 7.490 1.00 72.41 C ATOM 1610 O VAL A 97 2.532 -4.779 8.701 1.00 11.30 O ATOM 1611 CB VAL A 97 2.280 -2.908 5.893 1.00 25.35 C ATOM 1612 CG1 VAL A 97 1.134 -2.386 6.789 1.00 50.43 C ATOM 1613 CG2 VAL A 97 2.941 -1.752 5.106 1.00 3.20 C ATOM 0 H VAL A 97 4.196 -4.044 4.793 1.00 22.31 H new ATOM 0 HA VAL A 97 3.817 -3.024 7.432 1.00 34.23 H new ATOM 0 HB VAL A 97 1.823 -3.606 5.191 1.00 25.35 H new ATOM 0 HG11 VAL A 97 0.410 -1.848 6.177 1.00 50.43 H new ATOM 0 HG12 VAL A 97 0.642 -3.227 7.278 1.00 50.43 H new ATOM 0 HG13 VAL A 97 1.540 -1.714 7.545 1.00 50.43 H new ATOM 0 HG21 VAL A 97 2.178 -1.208 4.549 1.00 3.20 H new ATOM 0 HG22 VAL A 97 3.434 -1.074 5.802 1.00 3.20 H new ATOM 0 HG23 VAL A 97 3.677 -2.158 4.412 1.00 3.20 H new ATOM 1623 N THR A 98 2.497 -6.007 6.789 1.00 11.35 N ATOM 1624 CA THR A 98 2.070 -7.285 7.426 1.00 2.30 C ATOM 1625 C THR A 98 3.180 -7.844 8.361 1.00 63.04 C ATOM 1626 O THR A 98 2.900 -8.326 9.466 1.00 4.42 O ATOM 1627 CB THR A 98 1.713 -8.374 6.348 1.00 13.12 C ATOM 1628 OG1 THR A 98 0.662 -7.898 5.501 1.00 11.20 O ATOM 1629 CG2 THR A 98 1.281 -9.715 6.978 1.00 35.13 C ATOM 0 H THR A 98 2.583 -6.063 5.774 1.00 11.35 H new ATOM 0 HA THR A 98 1.180 -7.062 8.014 1.00 2.30 H new ATOM 0 HB THR A 98 2.620 -8.553 5.770 1.00 13.12 H new ATOM 0 HG1 THR A 98 0.447 -8.581 4.832 1.00 11.20 H new ATOM 0 HG21 THR A 98 1.047 -10.429 6.189 1.00 35.13 H new ATOM 0 HG22 THR A 98 2.092 -10.106 7.592 1.00 35.13 H new ATOM 0 HG23 THR A 98 0.399 -9.558 7.599 1.00 35.13 H new ATOM 1637 N ARG A 99 4.440 -7.754 7.898 1.00 73.13 N ATOM 1638 CA ARG A 99 5.627 -8.275 8.627 1.00 41.30 C ATOM 1639 C ARG A 99 5.908 -7.506 9.944 1.00 22.35 C ATOM 1640 O ARG A 99 6.331 -8.099 10.939 1.00 30.54 O ATOM 1641 CB ARG A 99 6.868 -8.222 7.701 1.00 13.12 C ATOM 1642 CG ARG A 99 6.777 -9.148 6.465 1.00 13.24 C ATOM 1643 CD ARG A 99 7.963 -8.962 5.500 1.00 72.01 C ATOM 1644 NE ARG A 99 7.938 -9.934 4.393 1.00 41.22 N ATOM 1645 CZ ARG A 99 8.987 -10.549 3.885 1.00 2.24 C ATOM 1646 NH1 ARG A 99 10.188 -10.299 4.321 1.00 31.34 N ATOM 1647 NH2 ARG A 99 8.823 -11.409 2.944 1.00 71.45 N ATOM 0 H ARG A 99 4.672 -7.318 7.006 1.00 73.13 H new ATOM 0 HA ARG A 99 5.411 -9.306 8.906 1.00 41.30 H new ATOM 0 HB2 ARG A 99 7.011 -7.196 7.362 1.00 13.12 H new ATOM 0 HB3 ARG A 99 7.751 -8.493 8.280 1.00 13.12 H new ATOM 0 HG2 ARG A 99 6.741 -10.186 6.795 1.00 13.24 H new ATOM 0 HG3 ARG A 99 5.846 -8.949 5.934 1.00 13.24 H new ATOM 0 HD2 ARG A 99 7.943 -7.951 5.094 1.00 72.01 H new ATOM 0 HD3 ARG A 99 8.897 -9.066 6.051 1.00 72.01 H new ATOM 0 HE ARG A 99 7.029 -10.150 3.984 1.00 41.22 H new ATOM 0 HH11 ARG A 99 10.328 -9.618 5.067 1.00 31.34 H new ATOM 0 HH12 ARG A 99 10.989 -10.784 3.916 1.00 31.34 H new ATOM 0 HH21 ARG A 99 7.886 -11.611 2.596 1.00 71.45 H new ATOM 0 HH22 ARG A 99 9.630 -11.889 2.546 1.00 71.45 H new ATOM 1661 N GLU A 100 5.710 -6.179 9.933 1.00 64.12 N ATOM 1662 CA GLU A 100 5.869 -5.350 11.148 1.00 54.24 C ATOM 1663 C GLU A 100 4.623 -5.451 12.063 1.00 34.15 C ATOM 1664 O GLU A 100 4.716 -5.270 13.283 1.00 62.24 O ATOM 1665 CB GLU A 100 6.177 -3.875 10.785 1.00 52.34 C ATOM 1666 CG GLU A 100 6.731 -3.058 11.976 1.00 74.32 C ATOM 1667 CD GLU A 100 7.088 -1.609 11.630 1.00 42.50 C ATOM 1668 OE1 GLU A 100 7.913 -1.397 10.714 1.00 14.11 O ATOM 1669 OE2 GLU A 100 6.584 -0.681 12.295 1.00 50.41 O ATOM 0 H GLU A 100 5.440 -5.654 9.101 1.00 64.12 H new ATOM 0 HA GLU A 100 6.722 -5.740 11.704 1.00 54.24 H new ATOM 0 HB2 GLU A 100 6.899 -3.851 9.969 1.00 52.34 H new ATOM 0 HB3 GLU A 100 5.267 -3.400 10.419 1.00 52.34 H new ATOM 0 HG2 GLU A 100 5.992 -3.057 12.777 1.00 74.32 H new ATOM 0 HG3 GLU A 100 7.619 -3.557 12.363 1.00 74.32 H new ATOM 1676 N LEU A 101 3.452 -5.742 11.459 1.00 42.43 N ATOM 1677 CA LEU A 101 2.208 -6.017 12.214 1.00 3.23 C ATOM 1678 C LEU A 101 2.366 -7.338 13.017 1.00 1.15 C ATOM 1679 O LEU A 101 1.799 -7.483 14.097 1.00 40.24 O ATOM 1680 CB LEU A 101 0.979 -6.059 11.245 1.00 1.11 C ATOM 1681 CG LEU A 101 -0.432 -5.696 11.833 1.00 4.52 C ATOM 1682 CD1 LEU A 101 -0.982 -6.765 12.804 1.00 74.02 C ATOM 1683 CD2 LEU A 101 -0.413 -4.296 12.490 1.00 22.54 C ATOM 0 H LEU A 101 3.340 -5.793 10.446 1.00 42.43 H new ATOM 0 HA LEU A 101 2.026 -5.212 12.926 1.00 3.23 H new ATOM 0 HB2 LEU A 101 1.182 -5.379 10.418 1.00 1.11 H new ATOM 0 HB3 LEU A 101 0.918 -7.063 10.825 1.00 1.11 H new ATOM 0 HG LEU A 101 -1.121 -5.674 10.989 1.00 4.52 H new ATOM 0 HD11 LEU A 101 -1.959 -6.453 13.174 1.00 74.02 H new ATOM 0 HD12 LEU A 101 -1.079 -7.716 12.281 1.00 74.02 H new ATOM 0 HD13 LEU A 101 -0.297 -6.881 13.643 1.00 74.02 H new ATOM 0 HD21 LEU A 101 -1.401 -4.068 12.889 1.00 22.54 H new ATOM 0 HD22 LEU A 101 0.317 -4.284 13.299 1.00 22.54 H new ATOM 0 HD23 LEU A 101 -0.141 -3.548 11.745 1.00 22.54 H new ATOM 1695 N ASP A 102 3.172 -8.276 12.480 1.00 34.33 N ATOM 1696 CA ASP A 102 3.576 -9.512 13.189 1.00 51.01 C ATOM 1697 C ASP A 102 4.288 -9.183 14.540 1.00 61.14 C ATOM 1698 O ASP A 102 4.091 -9.876 15.546 1.00 25.22 O ATOM 1699 CB ASP A 102 4.499 -10.345 12.263 1.00 44.44 C ATOM 1700 CG ASP A 102 4.942 -11.689 12.860 1.00 45.51 C ATOM 1701 OD1 ASP A 102 4.108 -12.620 12.921 1.00 4.25 O ATOM 1702 OD2 ASP A 102 6.119 -11.825 13.271 1.00 63.31 O ATOM 0 H ASP A 102 3.563 -8.200 11.541 1.00 34.33 H new ATOM 0 HA ASP A 102 2.686 -10.093 13.431 1.00 51.01 H new ATOM 0 HB2 ASP A 102 3.979 -10.531 11.323 1.00 44.44 H new ATOM 0 HB3 ASP A 102 5.385 -9.756 12.026 1.00 44.44 H new ATOM 1707 N LYS A 103 5.093 -8.100 14.540 1.00 50.33 N ATOM 1708 CA LYS A 103 5.765 -7.574 15.760 1.00 41.23 C ATOM 1709 C LYS A 103 4.746 -6.900 16.718 1.00 44.22 C ATOM 1710 O LYS A 103 4.899 -6.960 17.943 1.00 32.21 O ATOM 1711 CB LYS A 103 6.863 -6.549 15.366 1.00 32.51 C ATOM 1712 CG LYS A 103 7.913 -7.085 14.368 1.00 21.31 C ATOM 1713 CD LYS A 103 8.954 -6.012 13.976 1.00 15.33 C ATOM 1714 CE LYS A 103 9.990 -6.527 12.959 1.00 30.14 C ATOM 1715 NZ LYS A 103 10.998 -5.490 12.635 1.00 40.44 N ATOM 0 H LYS A 103 5.299 -7.562 13.698 1.00 50.33 H new ATOM 0 HA LYS A 103 6.221 -8.417 16.279 1.00 41.23 H new ATOM 0 HB2 LYS A 103 6.384 -5.671 14.933 1.00 32.51 H new ATOM 0 HB3 LYS A 103 7.375 -6.219 16.270 1.00 32.51 H new ATOM 0 HG2 LYS A 103 8.425 -7.941 14.808 1.00 21.31 H new ATOM 0 HG3 LYS A 103 7.408 -7.443 13.471 1.00 21.31 H new ATOM 0 HD2 LYS A 103 8.438 -5.148 13.556 1.00 15.33 H new ATOM 0 HD3 LYS A 103 9.471 -5.670 14.872 1.00 15.33 H new ATOM 0 HE2 LYS A 103 10.490 -7.408 13.362 1.00 30.14 H new ATOM 0 HE3 LYS A 103 9.481 -6.839 12.047 1.00 30.14 H new ATOM 0 HZ1 LYS A 103 11.679 -5.871 11.948 1.00 40.44 H new ATOM 0 HZ2 LYS A 103 10.523 -4.659 12.228 1.00 40.44 H new ATOM 0 HZ3 LYS A 103 11.500 -5.211 13.502 1.00 40.44 H new ATOM 1729 N LYS A 104 3.724 -6.241 16.130 1.00 15.45 N ATOM 1730 CA LYS A 104 2.611 -5.602 16.889 1.00 53.23 C ATOM 1731 C LYS A 104 1.811 -6.678 17.673 1.00 55.11 C ATOM 1732 O LYS A 104 1.383 -6.448 18.812 1.00 75.33 O ATOM 1733 CB LYS A 104 1.704 -4.793 15.894 1.00 23.32 C ATOM 1734 CG LYS A 104 0.742 -3.727 16.509 1.00 54.13 C ATOM 1735 CD LYS A 104 -0.540 -4.294 17.177 1.00 1.15 C ATOM 1736 CE LYS A 104 -1.434 -5.091 16.205 1.00 70.44 C ATOM 1737 NZ LYS A 104 -2.669 -5.583 16.864 1.00 62.32 N ATOM 0 H LYS A 104 3.641 -6.134 15.119 1.00 15.45 H new ATOM 0 HA LYS A 104 3.010 -4.903 17.624 1.00 53.23 H new ATOM 0 HB2 LYS A 104 2.354 -4.289 15.179 1.00 23.32 H new ATOM 0 HB3 LYS A 104 1.102 -5.506 15.330 1.00 23.32 H new ATOM 0 HG2 LYS A 104 1.293 -3.150 17.251 1.00 54.13 H new ATOM 0 HG3 LYS A 104 0.445 -3.033 15.722 1.00 54.13 H new ATOM 0 HD2 LYS A 104 -0.253 -4.939 18.008 1.00 1.15 H new ATOM 0 HD3 LYS A 104 -1.117 -3.470 17.597 1.00 1.15 H new ATOM 0 HE2 LYS A 104 -1.702 -4.460 15.358 1.00 70.44 H new ATOM 0 HE3 LYS A 104 -0.873 -5.937 15.807 1.00 70.44 H new ATOM 0 HZ1 LYS A 104 -3.242 -6.113 16.177 1.00 62.32 H new ATOM 0 HZ2 LYS A 104 -2.415 -6.206 17.657 1.00 62.32 H new ATOM 0 HZ3 LYS A 104 -3.217 -4.775 17.221 1.00 62.32 H new ATOM 1751 N VAL A 105 1.632 -7.852 17.042 1.00 44.22 N ATOM 1752 CA VAL A 105 0.978 -9.024 17.664 1.00 21.21 C ATOM 1753 C VAL A 105 1.872 -9.630 18.777 1.00 2.30 C ATOM 1754 O VAL A 105 1.441 -9.750 19.933 1.00 62.11 O ATOM 1755 CB VAL A 105 0.659 -10.135 16.590 1.00 13.30 C ATOM 1756 CG1 VAL A 105 0.014 -11.399 17.231 1.00 0.50 C ATOM 1757 CG2 VAL A 105 -0.232 -9.577 15.451 1.00 71.44 C ATOM 0 H VAL A 105 1.937 -8.018 16.083 1.00 44.22 H new ATOM 0 HA VAL A 105 0.043 -8.677 18.103 1.00 21.21 H new ATOM 0 HB VAL A 105 1.612 -10.441 16.157 1.00 13.30 H new ATOM 0 HG11 VAL A 105 -0.189 -12.137 16.455 1.00 0.50 H new ATOM 0 HG12 VAL A 105 0.698 -11.823 17.966 1.00 0.50 H new ATOM 0 HG13 VAL A 105 -0.919 -11.122 17.721 1.00 0.50 H new ATOM 0 HG21 VAL A 105 -0.434 -10.366 14.727 1.00 71.44 H new ATOM 0 HG22 VAL A 105 -1.173 -9.218 15.868 1.00 71.44 H new ATOM 0 HG23 VAL A 105 0.283 -8.754 14.956 1.00 71.44 H new ATOM 1767 N SER A 106 3.124 -9.978 18.390 1.00 53.31 N ATOM 1768 CA SER A 106 4.078 -10.754 19.222 1.00 20.22 C ATOM 1769 C SER A 106 3.492 -12.149 19.572 1.00 44.50 C ATOM 1770 O SER A 106 2.727 -12.287 20.535 1.00 70.13 O ATOM 1771 CB SER A 106 4.499 -9.985 20.507 1.00 1.15 C ATOM 1772 OG SER A 106 5.102 -8.733 20.202 1.00 12.33 O ATOM 0 H SER A 106 3.505 -9.724 17.479 1.00 53.31 H new ATOM 0 HA SER A 106 4.982 -10.897 18.630 1.00 20.22 H new ATOM 0 HB2 SER A 106 3.624 -9.823 21.136 1.00 1.15 H new ATOM 0 HB3 SER A 106 5.197 -10.594 21.082 1.00 1.15 H new ATOM 0 HG SER A 106 4.777 -8.417 19.333 1.00 12.33 H new ATOM 1778 N GLY A 107 3.843 -13.172 18.765 1.00 21.12 N ATOM 1779 CA GLY A 107 3.295 -14.532 18.910 1.00 11.12 C ATOM 1780 C GLY A 107 3.870 -15.295 20.107 1.00 43.02 C ATOM 1781 O GLY A 107 4.730 -16.167 19.943 1.00 4.50 O ATOM 0 H GLY A 107 4.510 -13.077 18.000 1.00 21.12 H new ATOM 0 HA2 GLY A 107 2.212 -14.470 19.014 1.00 11.12 H new ATOM 0 HA3 GLY A 107 3.496 -15.096 17.999 1.00 11.12 H new ATOM 1785 N SER A 108 3.389 -14.927 21.319 1.00 72.43 N ATOM 1786 CA SER A 108 3.835 -15.474 22.635 1.00 34.54 C ATOM 1787 C SER A 108 5.317 -15.123 22.983 1.00 54.30 C ATOM 1788 O SER A 108 5.818 -15.501 24.048 1.00 71.53 O ATOM 1789 CB SER A 108 3.580 -17.009 22.720 1.00 44.22 C ATOM 1790 OG SER A 108 3.800 -17.513 24.030 1.00 23.22 O ATOM 0 H SER A 108 2.659 -14.222 21.417 1.00 72.43 H new ATOM 0 HA SER A 108 3.226 -14.980 23.392 1.00 34.54 H new ATOM 0 HB2 SER A 108 2.555 -17.224 22.416 1.00 44.22 H new ATOM 0 HB3 SER A 108 4.235 -17.525 22.018 1.00 44.22 H new ATOM 0 HG SER A 108 4.428 -16.929 24.504 1.00 23.22 H new ATOM 1796 N TYR A 109 6.005 -14.363 22.101 1.00 51.10 N ATOM 1797 CA TYR A 109 7.433 -14.012 22.268 1.00 2.30 C ATOM 1798 C TYR A 109 7.586 -12.586 22.852 1.00 4.33 C ATOM 1799 O TYR A 109 7.275 -11.591 22.185 1.00 20.22 O ATOM 1800 CB TYR A 109 8.184 -14.134 20.911 1.00 63.05 C ATOM 1801 CG TYR A 109 9.719 -14.001 21.011 1.00 12.20 C ATOM 1802 CD1 TYR A 109 10.520 -15.115 21.295 1.00 72.43 C ATOM 1803 CD2 TYR A 109 10.368 -12.769 20.839 1.00 51.21 C ATOM 1804 CE1 TYR A 109 11.898 -15.004 21.397 1.00 71.24 C ATOM 1805 CE2 TYR A 109 11.744 -12.658 20.941 1.00 0.20 C ATOM 1806 CZ TYR A 109 12.502 -13.778 21.223 1.00 74.34 C ATOM 1807 OH TYR A 109 13.876 -13.670 21.330 1.00 65.20 O ATOM 0 H TYR A 109 5.586 -13.977 21.255 1.00 51.10 H new ATOM 0 HA TYR A 109 7.878 -14.714 22.973 1.00 2.30 H new ATOM 0 HB2 TYR A 109 7.945 -15.099 20.464 1.00 63.05 H new ATOM 0 HB3 TYR A 109 7.809 -13.367 20.233 1.00 63.05 H new ATOM 0 HD1 TYR A 109 10.055 -16.079 21.437 1.00 72.43 H new ATOM 0 HD2 TYR A 109 9.781 -11.888 20.622 1.00 51.21 H new ATOM 0 HE1 TYR A 109 12.497 -15.877 21.612 1.00 71.24 H new ATOM 0 HE2 TYR A 109 12.223 -11.700 20.801 1.00 0.20 H new ATOM 0 HH TYR A 109 14.144 -12.739 21.179 1.00 65.20 H new ATOM 1817 N LEU A 110 8.029 -12.509 24.116 1.00 71.01 N ATOM 1818 CA LEU A 110 8.399 -11.244 24.792 1.00 44.41 C ATOM 1819 C LEU A 110 9.934 -11.193 25.015 1.00 51.35 C ATOM 1820 O LEU A 110 10.670 -12.070 24.542 1.00 43.23 O ATOM 1821 CB LEU A 110 7.636 -11.098 26.153 1.00 23.10 C ATOM 1822 CG LEU A 110 6.080 -10.890 26.086 1.00 10.21 C ATOM 1823 CD1 LEU A 110 5.327 -12.173 25.663 1.00 32.02 C ATOM 1824 CD2 LEU A 110 5.527 -10.342 27.422 1.00 4.43 C ATOM 0 H LEU A 110 8.144 -13.330 24.710 1.00 71.01 H new ATOM 0 HA LEU A 110 8.109 -10.409 24.154 1.00 44.41 H new ATOM 0 HB2 LEU A 110 7.832 -11.990 26.747 1.00 23.10 H new ATOM 0 HB3 LEU A 110 8.067 -10.255 26.693 1.00 23.10 H new ATOM 0 HG LEU A 110 5.901 -10.146 25.310 1.00 10.21 H new ATOM 0 HD11 LEU A 110 4.256 -11.973 25.633 1.00 32.02 H new ATOM 0 HD12 LEU A 110 5.666 -12.485 24.675 1.00 32.02 H new ATOM 0 HD13 LEU A 110 5.528 -12.967 26.383 1.00 32.02 H new ATOM 0 HD21 LEU A 110 4.448 -10.209 27.342 1.00 4.43 H new ATOM 0 HD22 LEU A 110 5.748 -11.047 28.224 1.00 4.43 H new ATOM 0 HD23 LEU A 110 5.995 -9.383 27.643 1.00 4.43 H new ATOM 1836 N VAL A 111 10.415 -10.148 25.718 1.00 72.01 N ATOM 1837 CA VAL A 111 11.854 -9.986 26.074 1.00 31.34 C ATOM 1838 C VAL A 111 12.042 -9.913 27.621 1.00 71.34 C ATOM 1839 O VAL A 111 11.104 -9.523 28.334 1.00 20.52 O ATOM 1840 CB VAL A 111 12.474 -8.698 25.394 1.00 32.41 C ATOM 1841 CG1 VAL A 111 12.491 -8.833 23.847 1.00 65.54 C ATOM 1842 CG2 VAL A 111 11.728 -7.407 25.836 1.00 11.34 C ATOM 0 H VAL A 111 9.824 -9.389 26.058 1.00 72.01 H new ATOM 0 HA VAL A 111 12.382 -10.862 25.697 1.00 31.34 H new ATOM 0 HB VAL A 111 13.507 -8.613 25.733 1.00 32.41 H new ATOM 0 HG11 VAL A 111 12.922 -7.933 23.408 1.00 65.54 H new ATOM 0 HG12 VAL A 111 13.090 -9.698 23.564 1.00 65.54 H new ATOM 0 HG13 VAL A 111 11.472 -8.962 23.482 1.00 65.54 H new ATOM 0 HG21 VAL A 111 12.179 -6.542 25.351 1.00 11.34 H new ATOM 0 HG22 VAL A 111 10.679 -7.477 25.550 1.00 11.34 H new ATOM 0 HG23 VAL A 111 11.803 -7.296 26.918 1.00 11.34 H new ATOM 1852 N PRO A 112 13.244 -10.313 28.175 1.00 21.20 N ATOM 1853 CA PRO A 112 13.543 -10.170 29.625 1.00 62.12 C ATOM 1854 C PRO A 112 13.664 -8.681 30.056 1.00 3.14 C ATOM 1855 O PRO A 112 14.671 -8.034 29.749 1.00 71.44 O ATOM 1856 CB PRO A 112 14.892 -10.938 29.812 1.00 71.25 C ATOM 1857 CG PRO A 112 15.049 -11.752 28.558 1.00 0.12 C ATOM 1858 CD PRO A 112 14.379 -10.956 27.462 1.00 13.54 C ATOM 0 HA PRO A 112 12.744 -10.570 30.249 1.00 62.12 H new ATOM 0 HB2 PRO A 112 15.725 -10.247 29.942 1.00 71.25 H new ATOM 0 HB3 PRO A 112 14.865 -11.575 30.696 1.00 71.25 H new ATOM 0 HG2 PRO A 112 16.102 -11.921 28.331 1.00 0.12 H new ATOM 0 HG3 PRO A 112 14.586 -12.732 28.668 1.00 0.12 H new ATOM 0 HD2 PRO A 112 15.054 -10.219 27.026 1.00 13.54 H new ATOM 0 HD3 PRO A 112 14.037 -11.595 26.648 1.00 13.54 H new ATOM 1866 N ARG A 113 12.601 -8.163 30.724 1.00 22.55 N ATOM 1867 CA ARG A 113 12.496 -6.754 31.206 1.00 34.21 C ATOM 1868 C ARG A 113 12.353 -5.734 30.019 1.00 3.20 C ATOM 1869 O ARG A 113 13.380 -5.298 29.449 1.00 37.09 O ATOM 1870 CB ARG A 113 13.691 -6.387 32.151 1.00 1.51 C ATOM 1871 CG ARG A 113 13.597 -4.996 32.828 1.00 22.44 C ATOM 1872 CD ARG A 113 14.849 -4.675 33.656 1.00 41.43 C ATOM 1873 NE ARG A 113 14.779 -3.357 34.304 1.00 30.13 N ATOM 1874 CZ ARG A 113 15.630 -2.906 35.205 1.00 11.24 C ATOM 1875 NH1 ARG A 113 16.625 -3.641 35.621 1.00 54.34 N ATOM 1876 NH2 ARG A 113 15.470 -1.718 35.680 1.00 34.20 N ATOM 1877 OXT ARG A 113 11.205 -5.390 29.654 1.00 37.09 O ATOM 0 H ARG A 113 11.776 -8.720 30.948 1.00 22.55 H new ATOM 0 HA ARG A 113 11.580 -6.679 31.792 1.00 34.21 H new ATOM 0 HB2 ARG A 113 13.764 -7.147 32.929 1.00 1.51 H new ATOM 0 HB3 ARG A 113 14.615 -6.431 31.575 1.00 1.51 H new ATOM 0 HG2 ARG A 113 13.460 -4.230 32.065 1.00 22.44 H new ATOM 0 HG3 ARG A 113 12.718 -4.965 33.472 1.00 22.44 H new ATOM 0 HD2 ARG A 113 14.982 -5.443 34.418 1.00 41.43 H new ATOM 0 HD3 ARG A 113 15.726 -4.711 33.010 1.00 41.43 H new ATOM 0 HE ARG A 113 14.011 -2.742 34.035 1.00 30.13 H new ATOM 0 HH11 ARG A 113 16.755 -4.582 35.249 1.00 54.34 H new ATOM 0 HH12 ARG A 113 17.273 -3.275 36.318 1.00 54.34 H new ATOM 0 HH21 ARG A 113 14.693 -1.141 35.358 1.00 34.20 H new ATOM 0 HH22 ARG A 113 16.120 -1.356 36.377 1.00 34.20 H new TER 1891 ARG A 113