USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 971 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 61 ASN : amide:sc= -0.592 X(o=-1,f=-0.58) USER MOD Set 1.2: A 66 THR OG1 : rot -159:sc= -0.439 USER MOD Set 2.1: A 35 HIS : no HD1:sc= -1.55 K(o=-1.5,f=-2.7) USER MOD Set 2.2: A 39 LYS NZ :NH3+ 156:sc= 0 (180deg=0) USER MOD Set 3.1: A 15 CYS SG : rot 100:sc= -0.706 USER MOD Set 3.2: A 17 THR OG1 : rot 88:sc= 0.128 USER MOD Set 4.1: A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 14 ASN : amide:sc= -0.391 K(o=-0.39,f=-1.3) USER MOD Set 4.3: A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -133:sc= -0.0781 (180deg=-1.17) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -89:sc= 1.2 USER MOD Single : A 18 MET CE :methyl -137:sc= -1.34 (180deg=-3.94) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 157:sc= -0.07 (180deg=-0.927) USER MOD Single : A 28 HIS : no HD1:sc= -0.135 X(o=-0.13,f=-0.0019) USER MOD Single : A 32 TYR OH : rot 30:sc= 0 USER MOD Single : A 33 THR OG1 : rot 74:sc= 1.14 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 49:sc= 2.14 USER MOD Single : A 52 LYS NZ :NH3+ -152:sc=-8.84e-05 (180deg=-0.107) USER MOD Single : A 53 THR OG1 : rot 84:sc= 0.627 USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0.0964 USER MOD Single : A 87 MET CE :methyl -136:sc= -1.69 (180deg=-5.28!) USER MOD Single : A 90 GLN : amide:sc= -0.462 X(o=-0.46,f=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00518) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0296) USER MOD Single : A 113 GLN : amide:sc= -0.0564 X(o=-0.056,f=-0.056) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.170 -3.904 -6.543 1.00 42.31 N ATOM 2 CA GLY A 1 7.982 -2.930 -7.602 1.00 53.12 C ATOM 3 C GLY A 1 7.257 -3.508 -8.801 1.00 15.32 C ATOM 4 O GLY A 1 7.841 -3.722 -9.863 1.00 30.13 O ATOM 0 H1 GLY A 1 7.897 -3.483 -5.632 1.00 42.31 H new ATOM 0 H2 GLY A 1 7.579 -4.739 -6.730 1.00 42.31 H new ATOM 0 H3 GLY A 1 9.170 -4.189 -6.507 1.00 42.31 H new ATOM 0 HA2 GLY A 1 7.418 -2.082 -7.215 1.00 53.12 H new ATOM 0 HA3 GLY A 1 8.953 -2.549 -7.918 1.00 53.12 H new ATOM 8 N PRO A 2 5.952 -3.772 -8.637 1.00 31.21 N ATOM 9 CA PRO A 2 5.118 -4.335 -9.703 1.00 52.14 C ATOM 10 C PRO A 2 4.875 -3.341 -10.833 1.00 61.23 C ATOM 11 O PRO A 2 4.836 -3.715 -12.005 1.00 11.13 O ATOM 12 CB PRO A 2 3.805 -4.665 -8.990 1.00 12.20 C ATOM 13 CG PRO A 2 3.762 -3.736 -7.826 1.00 2.10 C ATOM 14 CD PRO A 2 5.190 -3.543 -7.398 1.00 41.33 C ATOM 0 HA PRO A 2 5.589 -5.196 -10.177 1.00 52.14 H new ATOM 0 HB2 PRO A 2 2.949 -4.515 -9.648 1.00 12.20 H new ATOM 0 HB3 PRO A 2 3.781 -5.706 -8.667 1.00 12.20 H new ATOM 0 HG2 PRO A 2 3.305 -2.785 -8.102 1.00 2.10 H new ATOM 0 HG3 PRO A 2 3.165 -4.153 -7.015 1.00 2.10 H new ATOM 0 HD2 PRO A 2 5.359 -2.542 -7.002 1.00 41.33 H new ATOM 0 HD3 PRO A 2 5.474 -4.247 -6.616 1.00 41.33 H new ATOM 22 N GLY A 3 4.713 -2.070 -10.474 1.00 13.22 N ATOM 23 CA GLY A 3 4.476 -1.042 -11.470 1.00 45.42 C ATOM 24 C GLY A 3 3.500 0.015 -10.992 1.00 62.35 C ATOM 25 O GLY A 3 2.293 -0.220 -10.945 1.00 22.31 O ATOM 0 H GLY A 3 4.742 -1.735 -9.511 1.00 13.22 H new ATOM 0 HA2 GLY A 3 5.422 -0.567 -11.730 1.00 45.42 H new ATOM 0 HA3 GLY A 3 4.091 -1.503 -12.379 1.00 45.42 H new ATOM 29 N SER A 4 4.023 1.182 -10.633 1.00 25.24 N ATOM 30 CA SER A 4 3.191 2.278 -10.151 1.00 42.22 C ATOM 31 C SER A 4 2.233 2.754 -11.238 1.00 24.33 C ATOM 32 O SER A 4 1.023 2.820 -11.029 1.00 52.03 O ATOM 33 CB SER A 4 4.065 3.442 -9.679 1.00 72.23 C ATOM 34 OG SER A 4 3.292 4.421 -9.008 1.00 52.43 O ATOM 0 H SER A 4 5.020 1.393 -10.667 1.00 25.24 H new ATOM 0 HA SER A 4 2.603 1.911 -9.310 1.00 42.22 H new ATOM 0 HB2 SER A 4 4.843 3.070 -9.013 1.00 72.23 H new ATOM 0 HB3 SER A 4 4.567 3.894 -10.534 1.00 72.23 H new ATOM 0 HG SER A 4 3.874 5.153 -8.715 1.00 52.43 H new ATOM 40 N MET A 5 2.786 3.083 -12.402 1.00 41.54 N ATOM 41 CA MET A 5 1.982 3.551 -13.525 1.00 62.03 C ATOM 42 C MET A 5 1.230 2.394 -14.174 1.00 45.23 C ATOM 43 O MET A 5 1.519 1.227 -13.911 1.00 4.24 O ATOM 44 CB MET A 5 2.869 4.244 -14.561 1.00 51.55 C ATOM 45 CG MET A 5 3.126 5.711 -14.258 1.00 30.02 C ATOM 46 SD MET A 5 3.472 6.677 -15.741 1.00 52.10 S ATOM 47 CE MET A 5 4.249 8.125 -15.028 1.00 3.41 C ATOM 0 H MET A 5 3.787 3.034 -12.591 1.00 41.54 H new ATOM 0 HA MET A 5 1.253 4.267 -13.145 1.00 62.03 H new ATOM 0 HB2 MET A 5 3.824 3.721 -14.618 1.00 51.55 H new ATOM 0 HB3 MET A 5 2.401 4.161 -15.542 1.00 51.55 H new ATOM 0 HG2 MET A 5 2.257 6.131 -13.750 1.00 30.02 H new ATOM 0 HG3 MET A 5 3.968 5.794 -13.571 1.00 30.02 H new ATOM 0 HE1 MET A 5 4.522 8.820 -15.822 1.00 3.41 H new ATOM 0 HE2 MET A 5 3.554 8.611 -14.344 1.00 3.41 H new ATOM 0 HE3 MET A 5 5.145 7.826 -14.484 1.00 3.41 H new ATOM 57 N SER A 6 0.261 2.726 -15.022 1.00 44.34 N ATOM 58 CA SER A 6 -0.536 1.715 -15.707 1.00 64.43 C ATOM 59 C SER A 6 0.206 1.169 -16.923 1.00 62.14 C ATOM 60 O SER A 6 0.801 1.926 -17.692 1.00 73.31 O ATOM 61 CB SER A 6 -1.882 2.300 -16.135 1.00 31.11 C ATOM 62 OG SER A 6 -1.709 3.321 -17.102 1.00 14.24 O ATOM 0 H SER A 6 0.009 3.688 -15.251 1.00 44.34 H new ATOM 0 HA SER A 6 -0.710 0.893 -15.012 1.00 64.43 H new ATOM 0 HB2 SER A 6 -2.512 1.510 -16.544 1.00 31.11 H new ATOM 0 HB3 SER A 6 -2.400 2.703 -15.265 1.00 31.11 H new ATOM 0 HG SER A 6 -2.584 3.678 -17.361 1.00 14.24 H new ATOM 68 N VAL A 7 0.165 -0.148 -17.093 1.00 10.34 N ATOM 69 CA VAL A 7 0.832 -0.796 -18.216 1.00 2.44 C ATOM 70 C VAL A 7 -0.162 -1.140 -19.320 1.00 5.32 C ATOM 71 O VAL A 7 -1.313 -1.485 -19.050 1.00 24.25 O ATOM 72 CB VAL A 7 1.557 -2.080 -17.774 1.00 52.12 C ATOM 73 CG1 VAL A 7 2.293 -2.708 -18.947 1.00 54.24 C ATOM 74 CG2 VAL A 7 2.514 -1.785 -16.630 1.00 43.52 C ATOM 0 H VAL A 7 -0.324 -0.788 -16.467 1.00 10.34 H new ATOM 0 HA VAL A 7 1.567 -0.088 -18.600 1.00 2.44 H new ATOM 0 HB VAL A 7 0.813 -2.793 -17.419 1.00 52.12 H new ATOM 0 HG11 VAL A 7 2.800 -3.614 -18.616 1.00 54.24 H new ATOM 0 HG12 VAL A 7 1.580 -2.957 -19.733 1.00 54.24 H new ATOM 0 HG13 VAL A 7 3.028 -2.003 -19.335 1.00 54.24 H new ATOM 0 HG21 VAL A 7 3.018 -2.704 -16.331 1.00 43.52 H new ATOM 0 HG22 VAL A 7 3.255 -1.054 -16.955 1.00 43.52 H new ATOM 0 HG23 VAL A 7 1.956 -1.385 -15.783 1.00 43.52 H new ATOM 84 N THR A 8 0.290 -1.043 -20.567 1.00 15.13 N ATOM 85 CA THR A 8 -0.558 -1.343 -21.713 1.00 55.12 C ATOM 86 C THR A 8 -0.118 -2.631 -22.401 1.00 32.31 C ATOM 87 O THR A 8 1.062 -2.812 -22.702 1.00 11.22 O ATOM 88 CB THR A 8 -0.543 -0.195 -22.740 1.00 32.32 C ATOM 89 OG1 THR A 8 -0.911 1.034 -22.105 1.00 2.03 O ATOM 90 CG2 THR A 8 -1.497 -0.485 -23.890 1.00 55.11 C ATOM 0 H THR A 8 1.239 -0.759 -20.808 1.00 15.13 H new ATOM 0 HA THR A 8 -1.572 -1.466 -21.332 1.00 55.12 H new ATOM 0 HB THR A 8 0.467 -0.108 -23.141 1.00 32.32 H new ATOM 0 HG1 THR A 8 -0.898 1.759 -22.764 1.00 2.03 H new ATOM 0 HG21 THR A 8 -1.469 0.339 -24.602 1.00 55.11 H new ATOM 0 HG22 THR A 8 -1.196 -1.406 -24.389 1.00 55.11 H new ATOM 0 HG23 THR A 8 -2.510 -0.596 -23.503 1.00 55.11 H new ATOM 98 N ILE A 9 -1.074 -3.521 -22.647 1.00 40.31 N ATOM 99 CA ILE A 9 -0.784 -4.791 -23.301 1.00 3.44 C ATOM 100 C ILE A 9 -1.580 -4.938 -24.593 1.00 62.44 C ATOM 101 O ILE A 9 -2.764 -4.607 -24.646 1.00 5.32 O ATOM 102 CB ILE A 9 -1.099 -5.984 -22.379 1.00 0.54 C ATOM 103 CG1 ILE A 9 -0.824 -7.303 -23.104 1.00 33.21 C ATOM 104 CG2 ILE A 9 -2.544 -5.922 -21.908 1.00 54.44 C ATOM 105 CD1 ILE A 9 -1.099 -8.527 -22.257 1.00 32.30 C ATOM 0 H ILE A 9 -2.055 -3.386 -22.403 1.00 40.31 H new ATOM 0 HA ILE A 9 0.281 -4.791 -23.531 1.00 3.44 H new ATOM 0 HB ILE A 9 -0.450 -5.930 -21.505 1.00 0.54 H new ATOM 0 HG12 ILE A 9 -1.437 -7.348 -24.004 1.00 33.21 H new ATOM 0 HG13 ILE A 9 0.217 -7.321 -23.427 1.00 33.21 H new ATOM 0 HG21 ILE A 9 -2.751 -6.772 -21.257 1.00 54.44 H new ATOM 0 HG22 ILE A 9 -2.708 -4.995 -21.358 1.00 54.44 H new ATOM 0 HG23 ILE A 9 -3.210 -5.955 -22.771 1.00 54.44 H new ATOM 0 HD11 ILE A 9 -0.882 -9.425 -22.835 1.00 32.30 H new ATOM 0 HD12 ILE A 9 -0.466 -8.505 -21.370 1.00 32.30 H new ATOM 0 HD13 ILE A 9 -2.147 -8.533 -21.956 1.00 32.30 H new ATOM 117 N TYR A 10 -0.922 -5.437 -25.633 1.00 4.54 N ATOM 118 CA TYR A 10 -1.567 -5.628 -26.926 1.00 30.24 C ATOM 119 C TYR A 10 -1.978 -7.084 -27.120 1.00 22.21 C ATOM 120 O TYR A 10 -1.390 -7.991 -26.533 1.00 41.11 O ATOM 121 CB TYR A 10 -0.631 -5.196 -28.056 1.00 22.32 C ATOM 122 CG TYR A 10 -0.783 -3.743 -28.446 1.00 34.41 C ATOM 123 CD1 TYR A 10 -0.460 -2.727 -27.555 1.00 15.21 C ATOM 124 CD2 TYR A 10 -1.248 -3.386 -29.705 1.00 54.11 C ATOM 125 CE1 TYR A 10 -0.598 -1.398 -27.907 1.00 22.30 C ATOM 126 CE2 TYR A 10 -1.388 -2.060 -30.066 1.00 20.31 C ATOM 127 CZ TYR A 10 -1.063 -1.070 -29.163 1.00 60.44 C ATOM 128 OH TYR A 10 -1.200 0.253 -29.518 1.00 41.33 O ATOM 0 H TYR A 10 0.059 -5.717 -25.606 1.00 4.54 H new ATOM 0 HA TYR A 10 -2.464 -5.010 -26.950 1.00 30.24 H new ATOM 0 HB2 TYR A 10 0.400 -5.376 -27.751 1.00 22.32 H new ATOM 0 HB3 TYR A 10 -0.818 -5.820 -28.930 1.00 22.32 H new ATOM 0 HD1 TYR A 10 -0.095 -2.980 -26.571 1.00 15.21 H new ATOM 0 HD2 TYR A 10 -1.505 -4.159 -30.414 1.00 54.11 H new ATOM 0 HE1 TYR A 10 -0.343 -0.620 -27.202 1.00 22.30 H new ATOM 0 HE2 TYR A 10 -1.750 -1.800 -31.050 1.00 20.31 H new ATOM 0 HH TYR A 10 -2.096 0.566 -29.273 1.00 41.33 H new ATOM 138 N GLY A 11 -2.993 -7.300 -27.952 1.00 41.24 N ATOM 139 CA GLY A 11 -3.466 -8.648 -28.211 1.00 3.41 C ATOM 140 C GLY A 11 -4.537 -8.690 -29.284 1.00 42.14 C ATOM 141 O GLY A 11 -4.746 -7.711 -30.000 1.00 61.14 O ATOM 0 H GLY A 11 -3.496 -6.566 -28.451 1.00 41.24 H new ATOM 0 HA2 GLY A 11 -2.626 -9.272 -28.516 1.00 3.41 H new ATOM 0 HA3 GLY A 11 -3.862 -9.074 -27.289 1.00 3.41 H new ATOM 145 N ILE A 12 -5.215 -9.828 -29.395 1.00 0.23 N ATOM 146 CA ILE A 12 -6.269 -9.993 -30.389 1.00 21.20 C ATOM 147 C ILE A 12 -7.424 -10.818 -29.831 1.00 0.25 C ATOM 148 O ILE A 12 -7.365 -11.309 -28.704 1.00 72.24 O ATOM 149 CB ILE A 12 -5.738 -10.670 -31.665 1.00 70.51 C ATOM 150 CG1 ILE A 12 -5.354 -12.124 -31.377 1.00 34.24 C ATOM 151 CG2 ILE A 12 -4.545 -9.901 -32.216 1.00 63.31 C ATOM 152 CD1 ILE A 12 -4.823 -12.860 -32.587 1.00 42.40 C ATOM 0 H ILE A 12 -5.054 -10.648 -28.810 1.00 0.23 H new ATOM 0 HA ILE A 12 -6.626 -8.994 -30.640 1.00 21.20 H new ATOM 0 HB ILE A 12 -6.528 -10.665 -32.416 1.00 70.51 H new ATOM 0 HG12 ILE A 12 -4.600 -12.143 -30.590 1.00 34.24 H new ATOM 0 HG13 ILE A 12 -6.227 -12.653 -30.994 1.00 34.24 H new ATOM 0 HG21 ILE A 12 -4.181 -10.392 -33.118 1.00 63.31 H new ATOM 0 HG22 ILE A 12 -4.848 -8.882 -32.455 1.00 63.31 H new ATOM 0 HG23 ILE A 12 -3.751 -9.878 -31.470 1.00 63.31 H new ATOM 0 HD11 ILE A 12 -4.571 -13.883 -32.309 1.00 42.40 H new ATOM 0 HD12 ILE A 12 -5.583 -12.873 -33.368 1.00 42.40 H new ATOM 0 HD13 ILE A 12 -3.931 -12.355 -32.958 1.00 42.40 H new ATOM 164 N LYS A 13 -8.474 -10.970 -30.630 1.00 73.52 N ATOM 165 CA LYS A 13 -9.644 -11.739 -30.221 1.00 71.53 C ATOM 166 C LYS A 13 -9.454 -13.222 -30.523 1.00 42.41 C ATOM 167 O LYS A 13 -10.057 -14.078 -29.880 1.00 70.40 O ATOM 168 CB LYS A 13 -10.896 -11.219 -30.930 1.00 10.01 C ATOM 169 CG LYS A 13 -10.900 -11.478 -32.426 1.00 12.21 C ATOM 170 CD LYS A 13 -12.041 -10.750 -33.116 1.00 11.45 C ATOM 171 CE LYS A 13 -12.400 -11.404 -34.441 1.00 71.10 C ATOM 172 NZ LYS A 13 -11.394 -11.105 -35.498 1.00 71.14 N ATOM 0 H LYS A 13 -8.539 -10.570 -31.566 1.00 73.52 H new ATOM 0 HA LYS A 13 -9.768 -11.619 -29.145 1.00 71.53 H new ATOM 0 HB2 LYS A 13 -11.775 -11.687 -30.487 1.00 10.01 H new ATOM 0 HB3 LYS A 13 -10.983 -10.147 -30.755 1.00 10.01 H new ATOM 0 HG2 LYS A 13 -9.951 -11.156 -32.854 1.00 12.21 H new ATOM 0 HG3 LYS A 13 -10.986 -12.549 -32.610 1.00 12.21 H new ATOM 0 HD2 LYS A 13 -12.915 -10.742 -32.465 1.00 11.45 H new ATOM 0 HD3 LYS A 13 -11.760 -9.711 -33.286 1.00 11.45 H new ATOM 0 HE2 LYS A 13 -12.474 -12.483 -34.305 1.00 71.10 H new ATOM 0 HE3 LYS A 13 -13.381 -11.055 -34.764 1.00 71.10 H new ATOM 0 HZ1 LYS A 13 -11.675 -11.569 -36.386 1.00 71.14 H new ATOM 0 HZ2 LYS A 13 -11.341 -10.077 -35.646 1.00 71.14 H new ATOM 0 HZ3 LYS A 13 -10.463 -11.460 -35.201 1.00 71.14 H new ATOM 186 N ASN A 14 -8.610 -13.516 -31.508 1.00 14.55 N ATOM 187 CA ASN A 14 -8.341 -14.896 -31.896 1.00 43.33 C ATOM 188 C ASN A 14 -6.964 -15.338 -31.410 1.00 4.54 C ATOM 189 O ASN A 14 -6.045 -15.530 -32.208 1.00 13.15 O ATOM 190 CB ASN A 14 -8.431 -15.047 -33.416 1.00 12.44 C ATOM 191 CG ASN A 14 -9.777 -14.612 -33.961 1.00 1.15 C ATOM 192 OD1 ASN A 14 -10.813 -14.823 -33.329 1.00 11.24 O ATOM 193 ND2 ASN A 14 -9.768 -14.003 -35.142 1.00 4.23 N ATOM 0 H ASN A 14 -8.102 -12.818 -32.051 1.00 14.55 H new ATOM 0 HA ASN A 14 -9.093 -15.532 -31.430 1.00 43.33 H new ATOM 0 HB2 ASN A 14 -7.644 -14.456 -33.884 1.00 12.44 H new ATOM 0 HB3 ASN A 14 -8.252 -16.088 -33.686 1.00 12.44 H new ATOM 0 HD21 ASN A 14 -10.644 -13.689 -35.561 1.00 4.23 H new ATOM 0 HD22 ASN A 14 -8.886 -13.849 -35.630 1.00 4.23 H new ATOM 200 N CYS A 15 -6.828 -15.497 -30.098 1.00 13.42 N ATOM 201 CA CYS A 15 -5.563 -15.916 -29.505 1.00 5.12 C ATOM 202 C CYS A 15 -5.789 -16.559 -28.141 1.00 45.42 C ATOM 203 O CYS A 15 -6.658 -16.134 -27.380 1.00 62.11 O ATOM 204 CB CYS A 15 -4.618 -14.721 -29.371 1.00 22.14 C ATOM 205 SG CYS A 15 -3.031 -15.118 -28.603 1.00 2.24 S ATOM 0 H CYS A 15 -7.578 -15.342 -29.425 1.00 13.42 H new ATOM 0 HA CYS A 15 -5.108 -16.656 -30.163 1.00 5.12 H new ATOM 0 HB2 CYS A 15 -4.436 -14.303 -30.361 1.00 22.14 H new ATOM 0 HB3 CYS A 15 -5.110 -13.946 -28.783 1.00 22.14 H new ATOM 0 HG CYS A 15 -2.126 -15.258 -29.525 1.00 2.24 H new ATOM 211 N ASP A 16 -5.002 -17.585 -27.839 1.00 14.03 N ATOM 212 CA ASP A 16 -5.115 -18.287 -26.566 1.00 11.23 C ATOM 213 C ASP A 16 -4.116 -17.739 -25.552 1.00 34.34 C ATOM 214 O ASP A 16 -4.410 -17.650 -24.359 1.00 45.12 O ATOM 215 CB ASP A 16 -4.889 -19.786 -26.763 1.00 50.21 C ATOM 216 CG ASP A 16 -5.452 -20.288 -28.079 1.00 54.43 C ATOM 217 OD1 ASP A 16 -6.685 -20.211 -28.266 1.00 34.14 O ATOM 218 OD2 ASP A 16 -4.659 -20.757 -28.922 1.00 34.04 O ATOM 0 H ASP A 16 -4.278 -17.949 -28.459 1.00 14.03 H new ATOM 0 HA ASP A 16 -6.122 -18.127 -26.180 1.00 11.23 H new ATOM 0 HB2 ASP A 16 -3.820 -19.998 -26.724 1.00 50.21 H new ATOM 0 HB3 ASP A 16 -5.352 -20.332 -25.941 1.00 50.21 H new ATOM 223 N THR A 17 -2.932 -17.373 -26.033 1.00 62.21 N ATOM 224 CA THR A 17 -1.889 -16.836 -25.169 1.00 10.24 C ATOM 225 C THR A 17 -2.410 -15.670 -24.337 1.00 43.54 C ATOM 226 O THR A 17 -2.044 -15.515 -23.172 1.00 32.13 O ATOM 227 CB THR A 17 -0.671 -16.365 -25.986 1.00 64.53 C ATOM 228 OG1 THR A 17 -0.536 -17.162 -27.168 1.00 51.14 O ATOM 229 CG2 THR A 17 0.603 -16.454 -25.159 1.00 13.05 C ATOM 0 H THR A 17 -2.672 -17.439 -27.017 1.00 62.21 H new ATOM 0 HA THR A 17 -1.582 -17.644 -24.505 1.00 10.24 H new ATOM 0 HB THR A 17 -0.830 -15.324 -26.267 1.00 64.53 H new ATOM 0 HG1 THR A 17 -1.071 -16.771 -27.889 1.00 51.14 H new ATOM 0 HG21 THR A 17 1.449 -16.116 -25.757 1.00 13.05 H new ATOM 0 HG22 THR A 17 0.508 -15.823 -24.275 1.00 13.05 H new ATOM 0 HG23 THR A 17 0.766 -17.487 -24.851 1.00 13.05 H new ATOM 237 N MET A 18 -3.266 -14.854 -24.941 1.00 61.22 N ATOM 238 CA MET A 18 -3.839 -13.702 -24.253 1.00 4.42 C ATOM 239 C MET A 18 -4.713 -14.147 -23.084 1.00 72.34 C ATOM 240 O MET A 18 -4.828 -13.445 -22.079 1.00 54.40 O ATOM 241 CB MET A 18 -4.663 -12.858 -25.227 1.00 41.43 C ATOM 242 CG MET A 18 -3.829 -12.198 -26.315 1.00 42.31 C ATOM 243 SD MET A 18 -2.672 -10.980 -25.660 1.00 61.21 S ATOM 244 CE MET A 18 -3.790 -9.881 -24.797 1.00 35.43 C ATOM 0 H MET A 18 -3.579 -14.968 -25.905 1.00 61.22 H new ATOM 0 HA MET A 18 -3.020 -13.098 -23.863 1.00 4.42 H new ATOM 0 HB2 MET A 18 -5.419 -13.490 -25.693 1.00 41.43 H new ATOM 0 HB3 MET A 18 -5.193 -12.086 -24.668 1.00 41.43 H new ATOM 0 HG2 MET A 18 -3.275 -12.964 -26.858 1.00 42.31 H new ATOM 0 HG3 MET A 18 -4.492 -11.715 -27.033 1.00 42.31 H new ATOM 0 HE1 MET A 18 -3.509 -8.847 -24.996 1.00 35.43 H new ATOM 0 HE2 MET A 18 -4.809 -10.053 -25.143 1.00 35.43 H new ATOM 0 HE3 MET A 18 -3.734 -10.073 -23.725 1.00 35.43 H new ATOM 254 N LYS A 19 -5.326 -15.318 -23.221 1.00 34.45 N ATOM 255 CA LYS A 19 -6.189 -15.856 -22.177 1.00 44.21 C ATOM 256 C LYS A 19 -5.384 -16.187 -20.923 1.00 43.12 C ATOM 257 O LYS A 19 -5.731 -15.761 -19.821 1.00 22.52 O ATOM 258 CB LYS A 19 -6.910 -17.111 -22.678 1.00 42.21 C ATOM 259 CG LYS A 19 -8.302 -17.287 -22.096 1.00 0.44 C ATOM 260 CD LYS A 19 -9.356 -16.622 -22.966 1.00 30.12 C ATOM 261 CE LYS A 19 -9.655 -17.447 -24.208 1.00 54.50 C ATOM 262 NZ LYS A 19 -10.701 -18.476 -23.952 1.00 12.14 N ATOM 0 H LYS A 19 -5.241 -15.913 -24.045 1.00 34.45 H new ATOM 0 HA LYS A 19 -6.928 -15.096 -21.924 1.00 44.21 H new ATOM 0 HB2 LYS A 19 -6.983 -17.068 -23.765 1.00 42.21 H new ATOM 0 HB3 LYS A 19 -6.309 -17.987 -22.433 1.00 42.21 H new ATOM 0 HG2 LYS A 19 -8.526 -18.349 -21.999 1.00 0.44 H new ATOM 0 HG3 LYS A 19 -8.335 -16.862 -21.093 1.00 0.44 H new ATOM 0 HD2 LYS A 19 -10.271 -16.485 -22.390 1.00 30.12 H new ATOM 0 HD3 LYS A 19 -9.013 -15.630 -23.261 1.00 30.12 H new ATOM 0 HE2 LYS A 19 -9.983 -16.788 -25.012 1.00 54.50 H new ATOM 0 HE3 LYS A 19 -8.742 -17.935 -24.549 1.00 54.50 H new ATOM 0 HZ1 LYS A 19 -10.876 -19.017 -24.823 1.00 12.14 H new ATOM 0 HZ2 LYS A 19 -10.378 -19.121 -23.203 1.00 12.14 H new ATOM 0 HZ3 LYS A 19 -11.581 -18.010 -23.651 1.00 12.14 H new ATOM 276 N LYS A 20 -4.309 -16.945 -21.099 1.00 34.44 N ATOM 277 CA LYS A 20 -3.452 -17.331 -19.984 1.00 13.54 C ATOM 278 C LYS A 20 -2.734 -16.116 -19.405 1.00 54.33 C ATOM 279 O LYS A 20 -2.549 -16.012 -18.192 1.00 71.32 O ATOM 280 CB LYS A 20 -2.427 -18.373 -20.437 1.00 51.40 C ATOM 281 CG LYS A 20 -1.660 -17.971 -21.684 1.00 41.13 C ATOM 282 CD LYS A 20 -0.537 -18.947 -21.988 1.00 21.45 C ATOM 283 CE LYS A 20 -1.071 -20.251 -22.560 1.00 33.50 C ATOM 284 NZ LYS A 20 -1.175 -20.205 -24.044 1.00 30.33 N ATOM 0 H LYS A 20 -4.009 -17.305 -22.005 1.00 34.44 H new ATOM 0 HA LYS A 20 -4.082 -17.765 -19.208 1.00 13.54 H new ATOM 0 HB2 LYS A 20 -1.719 -18.550 -19.627 1.00 51.40 H new ATOM 0 HB3 LYS A 20 -2.939 -19.317 -20.625 1.00 51.40 H new ATOM 0 HG2 LYS A 20 -2.342 -17.925 -22.533 1.00 41.13 H new ATOM 0 HG3 LYS A 20 -1.248 -16.971 -21.552 1.00 41.13 H new ATOM 0 HD2 LYS A 20 0.157 -18.495 -22.696 1.00 21.45 H new ATOM 0 HD3 LYS A 20 0.025 -19.151 -21.077 1.00 21.45 H new ATOM 0 HE2 LYS A 20 -0.415 -21.071 -22.267 1.00 33.50 H new ATOM 0 HE3 LYS A 20 -2.052 -20.460 -22.134 1.00 33.50 H new ATOM 0 HZ1 LYS A 20 -1.158 -21.173 -24.423 1.00 30.33 H new ATOM 0 HZ2 LYS A 20 -2.066 -19.743 -24.315 1.00 30.33 H new ATOM 0 HZ3 LYS A 20 -0.374 -19.667 -24.432 1.00 30.33 H new ATOM 298 N ALA A 21 -2.335 -15.198 -20.278 1.00 53.12 N ATOM 299 CA ALA A 21 -1.641 -13.989 -19.852 1.00 1.22 C ATOM 300 C ALA A 21 -2.543 -13.114 -18.988 1.00 43.50 C ATOM 301 O ALA A 21 -2.112 -12.584 -17.963 1.00 22.15 O ATOM 302 CB ALA A 21 -1.148 -13.209 -21.062 1.00 20.30 C ATOM 0 H ALA A 21 -2.480 -15.268 -21.285 1.00 53.12 H new ATOM 0 HA ALA A 21 -0.782 -14.286 -19.250 1.00 1.22 H new ATOM 0 HB1 ALA A 21 -0.632 -12.309 -20.729 1.00 20.30 H new ATOM 0 HB2 ALA A 21 -0.462 -13.828 -21.639 1.00 20.30 H new ATOM 0 HB3 ALA A 21 -1.997 -12.930 -21.686 1.00 20.30 H new ATOM 308 N ARG A 22 -3.795 -12.966 -19.408 1.00 25.34 N ATOM 309 CA ARG A 22 -4.757 -12.154 -18.673 1.00 62.34 C ATOM 310 C ARG A 22 -5.107 -12.803 -17.337 1.00 32.15 C ATOM 311 O ARG A 22 -5.083 -12.149 -16.293 1.00 70.51 O ATOM 312 CB ARG A 22 -6.026 -11.952 -19.502 1.00 44.13 C ATOM 313 CG ARG A 22 -5.907 -10.845 -20.537 1.00 55.33 C ATOM 314 CD ARG A 22 -7.067 -10.876 -21.521 1.00 32.33 C ATOM 315 NE ARG A 22 -8.316 -10.433 -20.907 1.00 60.44 N ATOM 316 CZ ARG A 22 -9.473 -10.374 -21.557 1.00 11.23 C ATOM 317 NH1 ARG A 22 -9.540 -10.728 -22.832 1.00 3.41 N ATOM 318 NH2 ARG A 22 -10.567 -9.960 -20.930 1.00 10.54 N ATOM 0 H ARG A 22 -4.167 -13.398 -20.254 1.00 25.34 H new ATOM 0 HA ARG A 22 -4.301 -11.183 -18.478 1.00 62.34 H new ATOM 0 HB2 ARG A 22 -6.272 -12.886 -20.008 1.00 44.13 H new ATOM 0 HB3 ARG A 22 -6.855 -11.724 -18.832 1.00 44.13 H new ATOM 0 HG2 ARG A 22 -5.880 -9.878 -20.035 1.00 55.33 H new ATOM 0 HG3 ARG A 22 -4.967 -10.950 -21.078 1.00 55.33 H new ATOM 0 HD2 ARG A 22 -6.836 -10.238 -22.374 1.00 32.33 H new ATOM 0 HD3 ARG A 22 -7.191 -11.889 -21.904 1.00 32.33 H new ATOM 0 HE ARG A 22 -8.299 -10.154 -19.926 1.00 60.44 H new ATOM 0 HH11 ARG A 22 -8.702 -11.047 -23.317 1.00 3.41 H new ATOM 0 HH12 ARG A 22 -10.430 -10.682 -23.328 1.00 3.41 H new ATOM 0 HH21 ARG A 22 -10.520 -9.687 -19.948 1.00 10.54 H new ATOM 0 HH22 ARG A 22 -11.455 -9.915 -21.430 1.00 10.54 H new ATOM 332 N ILE A 23 -5.433 -14.090 -17.377 1.00 34.41 N ATOM 333 CA ILE A 23 -5.787 -14.827 -16.170 1.00 74.45 C ATOM 334 C ILE A 23 -4.651 -14.794 -15.153 1.00 44.23 C ATOM 335 O ILE A 23 -4.883 -14.649 -13.953 1.00 42.13 O ATOM 336 CB ILE A 23 -6.136 -16.292 -16.488 1.00 2.43 C ATOM 337 CG1 ILE A 23 -7.318 -16.360 -17.457 1.00 24.30 C ATOM 338 CG2 ILE A 23 -6.450 -17.051 -15.206 1.00 3.12 C ATOM 339 CD1 ILE A 23 -7.345 -17.622 -18.290 1.00 52.43 C ATOM 0 H ILE A 23 -5.459 -14.645 -18.233 1.00 34.41 H new ATOM 0 HA ILE A 23 -6.664 -14.338 -15.746 1.00 74.45 H new ATOM 0 HB ILE A 23 -5.274 -16.760 -16.964 1.00 2.43 H new ATOM 0 HG12 ILE A 23 -8.246 -16.289 -16.890 1.00 24.30 H new ATOM 0 HG13 ILE A 23 -7.283 -15.497 -18.121 1.00 24.30 H new ATOM 0 HG21 ILE A 23 -6.695 -18.086 -15.446 1.00 3.12 H new ATOM 0 HG22 ILE A 23 -5.582 -17.027 -14.547 1.00 3.12 H new ATOM 0 HG23 ILE A 23 -7.298 -16.584 -14.705 1.00 3.12 H new ATOM 0 HD11 ILE A 23 -8.210 -17.602 -18.954 1.00 52.43 H new ATOM 0 HD12 ILE A 23 -6.433 -17.686 -18.884 1.00 52.43 H new ATOM 0 HD13 ILE A 23 -7.412 -18.490 -17.634 1.00 52.43 H new ATOM 351 N TRP A 24 -3.423 -14.929 -15.642 1.00 31.51 N ATOM 352 CA TRP A 24 -2.250 -14.915 -14.774 1.00 62.05 C ATOM 353 C TRP A 24 -2.051 -13.536 -14.152 1.00 74.25 C ATOM 354 O TRP A 24 -1.972 -13.402 -12.931 1.00 4.31 O ATOM 355 CB TRP A 24 -1.003 -15.317 -15.563 1.00 3.42 C ATOM 356 CG TRP A 24 0.094 -15.863 -14.700 1.00 50.22 C ATOM 357 CD1 TRP A 24 0.353 -17.178 -14.439 1.00 42.14 C ATOM 358 CD2 TRP A 24 1.077 -15.108 -13.984 1.00 0.54 C ATOM 359 NE1 TRP A 24 1.439 -17.286 -13.604 1.00 71.32 N ATOM 360 CE2 TRP A 24 1.902 -16.031 -13.311 1.00 44.32 C ATOM 361 CE3 TRP A 24 1.344 -13.743 -13.848 1.00 41.34 C ATOM 362 CZ2 TRP A 24 2.972 -15.630 -12.514 1.00 65.40 C ATOM 363 CZ3 TRP A 24 2.405 -13.347 -13.057 1.00 2.15 C ATOM 364 CH2 TRP A 24 3.209 -14.287 -12.399 1.00 64.41 C ATOM 0 H TRP A 24 -3.214 -15.049 -16.633 1.00 31.51 H new ATOM 0 HA TRP A 24 -2.412 -15.635 -13.972 1.00 62.05 H new ATOM 0 HB2 TRP A 24 -1.278 -16.065 -16.306 1.00 3.42 H new ATOM 0 HB3 TRP A 24 -0.630 -14.449 -16.107 1.00 3.42 H new ATOM 0 HD1 TRP A 24 -0.212 -18.011 -14.831 1.00 42.14 H new ATOM 0 HE1 TRP A 24 1.836 -18.160 -13.258 1.00 71.32 H new ATOM 0 HE3 TRP A 24 0.731 -13.010 -14.353 1.00 41.34 H new ATOM 0 HZ2 TRP A 24 3.592 -16.353 -12.005 1.00 65.40 H new ATOM 0 HZ3 TRP A 24 2.618 -12.294 -12.944 1.00 2.15 H new ATOM 0 HH2 TRP A 24 4.032 -13.945 -11.789 1.00 64.41 H new ATOM 375 N LEU A 25 -1.971 -12.517 -14.999 1.00 11.33 N ATOM 376 CA LEU A 25 -1.782 -11.147 -14.532 1.00 44.32 C ATOM 377 C LEU A 25 -2.901 -10.737 -13.581 1.00 51.32 C ATOM 378 O LEU A 25 -2.653 -10.119 -12.546 1.00 43.22 O ATOM 379 CB LEU A 25 -1.726 -10.185 -15.720 1.00 70.24 C ATOM 380 CG LEU A 25 -0.331 -9.857 -16.254 1.00 60.23 C ATOM 381 CD1 LEU A 25 0.495 -9.150 -15.190 1.00 21.14 C ATOM 382 CD2 LEU A 25 0.370 -11.122 -16.725 1.00 3.23 C ATOM 0 H LEU A 25 -2.034 -12.612 -16.013 1.00 11.33 H new ATOM 0 HA LEU A 25 -0.837 -11.100 -13.991 1.00 44.32 H new ATOM 0 HB2 LEU A 25 -2.314 -10.610 -16.534 1.00 70.24 H new ATOM 0 HB3 LEU A 25 -2.210 -9.253 -15.430 1.00 70.24 H new ATOM 0 HG LEU A 25 -0.437 -9.186 -17.107 1.00 60.23 H new ATOM 0 HD11 LEU A 25 1.484 -8.924 -15.588 1.00 21.14 H new ATOM 0 HD12 LEU A 25 -0.000 -8.223 -14.902 1.00 21.14 H new ATOM 0 HD13 LEU A 25 0.593 -9.796 -14.317 1.00 21.14 H new ATOM 0 HD21 LEU A 25 1.361 -10.870 -17.102 1.00 3.23 H new ATOM 0 HD22 LEU A 25 0.465 -11.817 -15.891 1.00 3.23 H new ATOM 0 HD23 LEU A 25 -0.213 -11.586 -17.520 1.00 3.23 H new ATOM 394 N GLU A 26 -4.133 -11.085 -13.939 1.00 61.23 N ATOM 395 CA GLU A 26 -5.290 -10.753 -13.116 1.00 64.31 C ATOM 396 C GLU A 26 -5.263 -11.528 -11.802 1.00 74.22 C ATOM 397 O GLU A 26 -5.465 -10.959 -10.729 1.00 53.23 O ATOM 398 CB GLU A 26 -6.585 -11.055 -13.873 1.00 32.45 C ATOM 399 CG GLU A 26 -6.939 -10.009 -14.917 1.00 31.13 C ATOM 400 CD GLU A 26 -7.770 -8.876 -14.350 1.00 44.21 C ATOM 401 OE1 GLU A 26 -7.402 -8.347 -13.280 1.00 61.24 O ATOM 402 OE2 GLU A 26 -8.789 -8.517 -14.976 1.00 13.03 O ATOM 0 H GLU A 26 -4.355 -11.596 -14.793 1.00 61.23 H new ATOM 0 HA GLU A 26 -5.250 -9.687 -12.890 1.00 64.31 H new ATOM 0 HB2 GLU A 26 -6.493 -12.026 -14.360 1.00 32.45 H new ATOM 0 HB3 GLU A 26 -7.404 -11.134 -13.158 1.00 32.45 H new ATOM 0 HG2 GLU A 26 -6.022 -9.603 -15.344 1.00 31.13 H new ATOM 0 HG3 GLU A 26 -7.487 -10.484 -15.731 1.00 31.13 H new ATOM 409 N ASP A 27 -5.014 -12.829 -11.895 1.00 34.31 N ATOM 410 CA ASP A 27 -4.960 -13.683 -10.714 1.00 72.41 C ATOM 411 C ASP A 27 -3.964 -13.140 -9.695 1.00 33.14 C ATOM 412 O ASP A 27 -4.247 -13.095 -8.497 1.00 3.11 O ATOM 413 CB ASP A 27 -4.577 -15.111 -11.108 1.00 42.32 C ATOM 414 CG ASP A 27 -4.453 -16.030 -9.908 1.00 63.52 C ATOM 415 OD1 ASP A 27 -5.476 -16.620 -9.504 1.00 71.12 O ATOM 416 OD2 ASP A 27 -3.332 -16.158 -9.374 1.00 45.10 O ATOM 0 H ASP A 27 -4.846 -13.316 -12.776 1.00 34.31 H new ATOM 0 HA ASP A 27 -5.950 -13.693 -10.258 1.00 72.41 H new ATOM 0 HB2 ASP A 27 -5.327 -15.510 -11.791 1.00 42.32 H new ATOM 0 HB3 ASP A 27 -3.630 -15.094 -11.648 1.00 42.32 H new ATOM 421 N HIS A 28 -2.797 -12.727 -10.178 1.00 21.13 N ATOM 422 CA HIS A 28 -1.758 -12.186 -9.308 1.00 13.54 C ATOM 423 C HIS A 28 -2.233 -10.908 -8.625 1.00 43.42 C ATOM 424 O HIS A 28 -1.648 -10.467 -7.635 1.00 0.32 O ATOM 425 CB HIS A 28 -0.486 -11.908 -10.110 1.00 14.43 C ATOM 426 CG HIS A 28 0.733 -11.731 -9.257 1.00 55.54 C ATOM 427 ND1 HIS A 28 1.924 -11.234 -9.742 1.00 12.03 N ATOM 428 CD2 HIS A 28 0.941 -11.989 -7.945 1.00 71.45 C ATOM 429 CE1 HIS A 28 2.812 -11.194 -8.764 1.00 24.52 C ATOM 430 NE2 HIS A 28 2.239 -11.647 -7.663 1.00 21.13 N ATOM 0 H HIS A 28 -2.547 -12.756 -11.166 1.00 21.13 H new ATOM 0 HA HIS A 28 -1.539 -12.927 -8.540 1.00 13.54 H new ATOM 0 HB2 HIS A 28 -0.317 -12.731 -10.805 1.00 14.43 H new ATOM 0 HB3 HIS A 28 -0.633 -11.010 -10.710 1.00 14.43 H new ATOM 0 HD2 HIS A 28 0.219 -12.390 -7.249 1.00 71.45 H new ATOM 0 HE1 HIS A 28 3.832 -10.850 -8.850 1.00 24.52 H new ATOM 0 HE2 HIS A 28 2.689 -11.729 -6.751 1.00 21.13 H new ATOM 438 N GLY A 29 -3.297 -10.317 -9.159 1.00 43.32 N ATOM 439 CA GLY A 29 -3.832 -9.094 -8.589 1.00 61.30 C ATOM 440 C GLY A 29 -3.365 -7.856 -9.329 1.00 13.24 C ATOM 441 O GLY A 29 -3.357 -6.758 -8.772 1.00 52.32 O ATOM 0 H GLY A 29 -3.799 -10.663 -9.977 1.00 43.32 H new ATOM 0 HA2 GLY A 29 -4.921 -9.135 -8.607 1.00 61.30 H new ATOM 0 HA3 GLY A 29 -3.533 -9.023 -7.543 1.00 61.30 H new ATOM 445 N ILE A 30 -2.975 -8.032 -10.587 1.00 54.44 N ATOM 446 CA ILE A 30 -2.504 -6.921 -11.404 1.00 74.22 C ATOM 447 C ILE A 30 -3.533 -6.544 -12.465 1.00 61.31 C ATOM 448 O ILE A 30 -4.264 -7.400 -12.966 1.00 14.22 O ATOM 449 CB ILE A 30 -1.170 -7.256 -12.095 1.00 33.02 C ATOM 450 CG1 ILE A 30 -0.172 -7.817 -11.080 1.00 74.32 C ATOM 451 CG2 ILE A 30 -0.602 -6.019 -12.776 1.00 52.12 C ATOM 452 CD1 ILE A 30 1.140 -8.250 -11.698 1.00 25.45 C ATOM 0 H ILE A 30 -2.976 -8.934 -11.063 1.00 54.44 H new ATOM 0 HA ILE A 30 -2.353 -6.077 -10.731 1.00 74.22 H new ATOM 0 HB ILE A 30 -1.352 -8.015 -12.856 1.00 33.02 H new ATOM 0 HG12 ILE A 30 0.026 -7.060 -10.321 1.00 74.32 H new ATOM 0 HG13 ILE A 30 -0.623 -8.669 -10.571 1.00 74.32 H new ATOM 0 HG21 ILE A 30 0.341 -6.271 -13.260 1.00 52.12 H new ATOM 0 HG22 ILE A 30 -1.309 -5.658 -13.523 1.00 52.12 H new ATOM 0 HG23 ILE A 30 -0.431 -5.240 -12.033 1.00 52.12 H new ATOM 0 HD11 ILE A 30 1.798 -8.637 -10.920 1.00 25.45 H new ATOM 0 HD12 ILE A 30 0.954 -9.029 -12.437 1.00 25.45 H new ATOM 0 HD13 ILE A 30 1.613 -7.396 -12.182 1.00 25.45 H new ATOM 464 N ASP A 31 -3.584 -5.261 -12.803 1.00 75.12 N ATOM 465 CA ASP A 31 -4.521 -4.771 -13.807 1.00 21.24 C ATOM 466 C ASP A 31 -3.779 -4.161 -14.991 1.00 75.12 C ATOM 467 O ASP A 31 -3.065 -3.167 -14.846 1.00 63.43 O ATOM 468 CB ASP A 31 -5.464 -3.736 -13.193 1.00 24.41 C ATOM 469 CG ASP A 31 -6.523 -4.368 -12.310 1.00 12.42 C ATOM 470 OD1 ASP A 31 -7.542 -4.843 -12.854 1.00 60.30 O ATOM 471 OD2 ASP A 31 -6.334 -4.388 -11.077 1.00 24.32 O ATOM 0 H ASP A 31 -2.987 -4.541 -12.396 1.00 75.12 H new ATOM 0 HA ASP A 31 -5.107 -5.618 -14.165 1.00 21.24 H new ATOM 0 HB2 ASP A 31 -4.884 -3.023 -12.606 1.00 24.41 H new ATOM 0 HB3 ASP A 31 -5.949 -3.173 -13.990 1.00 24.41 H new ATOM 476 N TYR A 32 -3.949 -4.762 -16.164 1.00 1.34 N ATOM 477 CA TYR A 32 -3.292 -4.281 -17.373 1.00 14.55 C ATOM 478 C TYR A 32 -4.317 -3.772 -18.384 1.00 23.04 C ATOM 479 O TYR A 32 -5.489 -4.146 -18.339 1.00 43.04 O ATOM 480 CB TYR A 32 -2.450 -5.394 -17.999 1.00 44.01 C ATOM 481 CG TYR A 32 -1.013 -5.402 -17.531 1.00 2.43 C ATOM 482 CD1 TYR A 32 -0.697 -5.207 -16.192 1.00 2.21 C ATOM 483 CD2 TYR A 32 0.029 -5.604 -18.427 1.00 41.42 C ATOM 484 CE1 TYR A 32 0.615 -5.213 -15.759 1.00 1.10 C ATOM 485 CE2 TYR A 32 1.344 -5.613 -18.003 1.00 0.12 C ATOM 486 CZ TYR A 32 1.631 -5.417 -16.669 1.00 70.01 C ATOM 487 OH TYR A 32 2.940 -5.423 -16.243 1.00 34.31 O ATOM 0 H TYR A 32 -4.537 -5.584 -16.303 1.00 1.34 H new ATOM 0 HA TYR A 32 -2.639 -3.453 -17.097 1.00 14.55 H new ATOM 0 HB2 TYR A 32 -2.905 -6.357 -17.766 1.00 44.01 H new ATOM 0 HB3 TYR A 32 -2.470 -5.287 -19.084 1.00 44.01 H new ATOM 0 HD1 TYR A 32 -1.491 -5.048 -15.477 1.00 2.21 H new ATOM 0 HD2 TYR A 32 -0.192 -5.757 -19.473 1.00 41.42 H new ATOM 0 HE1 TYR A 32 0.843 -5.059 -14.715 1.00 1.10 H new ATOM 0 HE2 TYR A 32 2.142 -5.773 -18.713 1.00 0.12 H new ATOM 0 HH TYR A 32 2.982 -5.744 -15.318 1.00 34.31 H new ATOM 497 N THR A 33 -3.864 -2.917 -19.295 1.00 12.42 N ATOM 498 CA THR A 33 -4.739 -2.356 -20.317 1.00 70.00 C ATOM 499 C THR A 33 -4.774 -3.242 -21.558 1.00 44.51 C ATOM 500 O THR A 33 -3.821 -3.271 -22.337 1.00 22.54 O ATOM 501 CB THR A 33 -4.291 -0.940 -20.723 1.00 0.30 C ATOM 502 OG1 THR A 33 -3.752 -0.252 -19.589 1.00 62.20 O ATOM 503 CG2 THR A 33 -5.456 -0.148 -21.296 1.00 52.41 C ATOM 0 H THR A 33 -2.897 -2.598 -19.346 1.00 12.42 H new ATOM 0 HA THR A 33 -5.738 -2.303 -19.884 1.00 70.00 H new ATOM 0 HB THR A 33 -3.522 -1.032 -21.490 1.00 0.30 H new ATOM 0 HG1 THR A 33 -2.866 -0.613 -19.378 1.00 62.20 H new ATOM 0 HG21 THR A 33 -5.116 0.849 -21.576 1.00 52.41 H new ATOM 0 HG22 THR A 33 -5.845 -0.659 -22.177 1.00 52.41 H new ATOM 0 HG23 THR A 33 -6.243 -0.066 -20.547 1.00 52.41 H new ATOM 511 N PHE A 34 -5.877 -3.960 -21.735 1.00 20.02 N ATOM 512 CA PHE A 34 -6.035 -4.847 -22.882 1.00 51.35 C ATOM 513 C PHE A 34 -6.367 -4.052 -24.142 1.00 63.42 C ATOM 514 O PHE A 34 -7.377 -3.350 -24.199 1.00 51.44 O ATOM 515 CB PHE A 34 -7.134 -5.876 -22.610 1.00 74.40 C ATOM 516 CG PHE A 34 -7.457 -6.737 -23.798 1.00 73.23 C ATOM 517 CD1 PHE A 34 -6.447 -7.362 -24.511 1.00 15.04 C ATOM 518 CD2 PHE A 34 -8.770 -6.920 -24.201 1.00 54.34 C ATOM 519 CE1 PHE A 34 -6.741 -8.156 -25.605 1.00 11.43 C ATOM 520 CE2 PHE A 34 -9.069 -7.712 -25.293 1.00 31.14 C ATOM 521 CZ PHE A 34 -8.054 -8.330 -25.996 1.00 71.33 C ATOM 0 H PHE A 34 -6.675 -3.946 -21.100 1.00 20.02 H new ATOM 0 HA PHE A 34 -5.091 -5.368 -23.040 1.00 51.35 H new ATOM 0 HB2 PHE A 34 -6.826 -6.514 -21.782 1.00 74.40 H new ATOM 0 HB3 PHE A 34 -8.037 -5.355 -22.292 1.00 74.40 H new ATOM 0 HD1 PHE A 34 -5.419 -7.228 -24.209 1.00 15.04 H new ATOM 0 HD2 PHE A 34 -9.568 -6.438 -23.656 1.00 54.34 H new ATOM 0 HE1 PHE A 34 -5.945 -8.639 -26.152 1.00 11.43 H new ATOM 0 HE2 PHE A 34 -10.097 -7.848 -25.597 1.00 31.14 H new ATOM 0 HZ PHE A 34 -8.287 -8.948 -26.850 1.00 71.33 H new ATOM 531 N HIS A 35 -5.510 -4.169 -25.151 1.00 30.12 N ATOM 532 CA HIS A 35 -5.711 -3.462 -26.411 1.00 4.21 C ATOM 533 C HIS A 35 -5.693 -4.433 -27.587 1.00 71.42 C ATOM 534 O HIS A 35 -4.678 -5.074 -27.861 1.00 23.35 O ATOM 535 CB HIS A 35 -4.632 -2.396 -26.599 1.00 32.13 C ATOM 536 CG HIS A 35 -4.936 -1.105 -25.903 1.00 2.30 C ATOM 537 ND1 HIS A 35 -3.993 -0.122 -25.692 1.00 73.35 N ATOM 538 CD2 HIS A 35 -6.090 -0.639 -25.368 1.00 54.12 C ATOM 539 CE1 HIS A 35 -4.552 0.893 -25.057 1.00 51.22 C ATOM 540 NE2 HIS A 35 -5.824 0.604 -24.849 1.00 32.22 N ATOM 0 H HIS A 35 -4.670 -4.747 -25.121 1.00 30.12 H new ATOM 0 HA HIS A 35 -6.687 -2.978 -26.376 1.00 4.21 H new ATOM 0 HB2 HIS A 35 -3.682 -2.783 -26.230 1.00 32.13 H new ATOM 0 HB3 HIS A 35 -4.505 -2.204 -27.664 1.00 32.13 H new ATOM 0 HD2 HIS A 35 -7.041 -1.150 -25.353 1.00 54.12 H new ATOM 0 HE1 HIS A 35 -4.054 1.804 -24.759 1.00 51.22 H new ATOM 0 HE2 HIS A 35 -6.499 1.207 -24.379 1.00 32.22 H new ATOM 548 N ASP A 36 -6.822 -4.538 -28.278 1.00 25.23 N ATOM 549 CA ASP A 36 -6.938 -5.431 -29.426 1.00 42.21 C ATOM 550 C ASP A 36 -6.314 -4.802 -30.668 1.00 1.23 C ATOM 551 O ASP A 36 -6.339 -3.583 -30.838 1.00 31.51 O ATOM 552 CB ASP A 36 -8.406 -5.768 -29.692 1.00 24.32 C ATOM 553 CG ASP A 36 -8.568 -6.923 -30.660 1.00 34.45 C ATOM 554 OD1 ASP A 36 -8.575 -6.675 -31.884 1.00 70.42 O ATOM 555 OD2 ASP A 36 -8.687 -8.075 -30.194 1.00 21.31 O ATOM 0 H ASP A 36 -7.671 -4.015 -28.063 1.00 25.23 H new ATOM 0 HA ASP A 36 -6.399 -6.350 -29.196 1.00 42.21 H new ATOM 0 HB2 ASP A 36 -8.895 -6.016 -28.750 1.00 24.32 H new ATOM 0 HB3 ASP A 36 -8.911 -4.889 -30.092 1.00 24.32 H new ATOM 560 N TYR A 37 -5.755 -5.641 -31.533 1.00 30.14 N ATOM 561 CA TYR A 37 -5.123 -5.167 -32.758 1.00 33.02 C ATOM 562 C TYR A 37 -6.064 -4.258 -33.542 1.00 52.25 C ATOM 563 O TYR A 37 -5.629 -3.316 -34.204 1.00 44.22 O ATOM 564 CB TYR A 37 -4.698 -6.352 -33.628 1.00 4.33 C ATOM 565 CG TYR A 37 -5.853 -7.040 -34.319 1.00 34.33 C ATOM 566 CD1 TYR A 37 -6.652 -7.951 -33.637 1.00 74.22 C ATOM 567 CD2 TYR A 37 -6.145 -6.783 -35.652 1.00 30.14 C ATOM 568 CE1 TYR A 37 -7.708 -8.584 -34.265 1.00 34.11 C ATOM 569 CE2 TYR A 37 -7.200 -7.410 -36.287 1.00 74.45 C ATOM 570 CZ TYR A 37 -7.979 -8.309 -35.589 1.00 12.12 C ATOM 571 OH TYR A 37 -9.029 -8.937 -36.218 1.00 41.03 O ATOM 0 H TYR A 37 -5.727 -6.653 -31.408 1.00 30.14 H new ATOM 0 HA TYR A 37 -4.240 -4.591 -32.481 1.00 33.02 H new ATOM 0 HB2 TYR A 37 -3.990 -6.004 -34.381 1.00 4.33 H new ATOM 0 HB3 TYR A 37 -4.172 -7.078 -33.007 1.00 4.33 H new ATOM 0 HD1 TYR A 37 -6.444 -8.167 -32.600 1.00 74.22 H new ATOM 0 HD2 TYR A 37 -5.537 -6.081 -36.202 1.00 30.14 H new ATOM 0 HE1 TYR A 37 -8.318 -9.290 -33.722 1.00 34.11 H new ATOM 0 HE2 TYR A 37 -7.413 -7.197 -37.324 1.00 74.45 H new ATOM 0 HH TYR A 37 -9.084 -8.631 -37.147 1.00 41.03 H new ATOM 581 N LYS A 38 -7.359 -4.548 -33.460 1.00 0.11 N ATOM 582 CA LYS A 38 -8.365 -3.756 -34.159 1.00 54.34 C ATOM 583 C LYS A 38 -8.853 -2.604 -33.286 1.00 63.30 C ATOM 584 O LYS A 38 -8.946 -1.465 -33.742 1.00 51.11 O ATOM 585 CB LYS A 38 -9.548 -4.640 -34.563 1.00 63.31 C ATOM 586 CG LYS A 38 -10.622 -3.901 -35.341 1.00 54.42 C ATOM 587 CD LYS A 38 -11.881 -4.739 -35.487 1.00 63.40 C ATOM 588 CE LYS A 38 -11.761 -5.730 -36.634 1.00 74.30 C ATOM 589 NZ LYS A 38 -13.089 -6.249 -37.061 1.00 30.43 N ATOM 0 H LYS A 38 -7.736 -5.325 -32.917 1.00 0.11 H new ATOM 0 HA LYS A 38 -7.906 -3.340 -35.056 1.00 54.34 H new ATOM 0 HB2 LYS A 38 -9.181 -5.470 -35.166 1.00 63.31 H new ATOM 0 HB3 LYS A 38 -9.992 -5.070 -33.665 1.00 63.31 H new ATOM 0 HG2 LYS A 38 -10.862 -2.967 -34.833 1.00 54.42 H new ATOM 0 HG3 LYS A 38 -10.242 -3.639 -36.328 1.00 54.42 H new ATOM 0 HD2 LYS A 38 -12.071 -5.277 -34.558 1.00 63.40 H new ATOM 0 HD3 LYS A 38 -12.737 -4.086 -35.657 1.00 63.40 H new ATOM 0 HE2 LYS A 38 -11.270 -5.248 -37.480 1.00 74.30 H new ATOM 0 HE3 LYS A 38 -11.127 -6.563 -36.329 1.00 74.30 H new ATOM 0 HZ1 LYS A 38 -12.963 -6.921 -37.845 1.00 30.43 H new ATOM 0 HZ2 LYS A 38 -13.547 -6.731 -36.261 1.00 30.43 H new ATOM 0 HZ3 LYS A 38 -13.686 -5.458 -37.376 1.00 30.43 H new ATOM 603 N LYS A 39 -9.162 -2.908 -32.031 1.00 13.11 N ATOM 604 CA LYS A 39 -9.637 -1.898 -31.094 1.00 43.13 C ATOM 605 C LYS A 39 -8.669 -0.722 -31.023 1.00 2.14 C ATOM 606 O LYS A 39 -9.078 0.436 -31.096 1.00 41.33 O ATOM 607 CB LYS A 39 -9.817 -2.508 -29.702 1.00 74.40 C ATOM 608 CG LYS A 39 -10.540 -1.596 -28.726 1.00 14.42 C ATOM 609 CD LYS A 39 -9.579 -0.636 -28.044 1.00 32.52 C ATOM 610 CE LYS A 39 -10.193 -0.029 -26.792 1.00 13.12 C ATOM 611 NZ LYS A 39 -9.230 0.850 -26.072 1.00 4.24 N ATOM 0 H LYS A 39 -9.092 -3.847 -31.639 1.00 13.11 H new ATOM 0 HA LYS A 39 -10.600 -1.532 -31.451 1.00 43.13 H new ATOM 0 HB2 LYS A 39 -10.372 -3.442 -29.793 1.00 74.40 H new ATOM 0 HB3 LYS A 39 -8.837 -2.758 -29.295 1.00 74.40 H new ATOM 0 HG2 LYS A 39 -11.307 -1.030 -29.255 1.00 14.42 H new ATOM 0 HG3 LYS A 39 -11.050 -2.198 -27.974 1.00 14.42 H new ATOM 0 HD2 LYS A 39 -8.661 -1.163 -27.782 1.00 32.52 H new ATOM 0 HD3 LYS A 39 -9.303 0.159 -28.737 1.00 32.52 H new ATOM 0 HE2 LYS A 39 -11.077 0.547 -27.064 1.00 13.12 H new ATOM 0 HE3 LYS A 39 -10.524 -0.826 -26.127 1.00 13.12 H new ATOM 0 HZ1 LYS A 39 -9.753 1.540 -25.497 1.00 4.24 H new ATOM 0 HZ2 LYS A 39 -8.627 0.271 -25.454 1.00 4.24 H new ATOM 0 HZ3 LYS A 39 -8.637 1.353 -26.762 1.00 4.24 H new ATOM 625 N GLU A 40 -7.383 -1.028 -30.881 1.00 43.23 N ATOM 626 CA GLU A 40 -6.357 0.004 -30.801 1.00 30.23 C ATOM 627 C GLU A 40 -6.058 0.583 -32.183 1.00 71.01 C ATOM 628 O GLU A 40 -5.574 1.706 -32.306 1.00 70.35 O ATOM 629 CB GLU A 40 -5.076 -0.564 -30.187 1.00 33.12 C ATOM 630 CG GLU A 40 -4.682 0.102 -28.879 1.00 71.13 C ATOM 631 CD GLU A 40 -4.352 1.572 -29.048 1.00 51.30 C ATOM 632 OE1 GLU A 40 -3.244 1.879 -29.535 1.00 43.15 O ATOM 633 OE2 GLU A 40 -5.203 2.415 -28.693 1.00 11.55 O ATOM 0 H GLU A 40 -7.028 -1.982 -30.819 1.00 43.23 H new ATOM 0 HA GLU A 40 -6.733 0.804 -30.163 1.00 30.23 H new ATOM 0 HB2 GLU A 40 -5.208 -1.632 -30.016 1.00 33.12 H new ATOM 0 HB3 GLU A 40 -4.260 -0.454 -30.902 1.00 33.12 H new ATOM 0 HG2 GLU A 40 -5.497 -0.003 -28.162 1.00 71.13 H new ATOM 0 HG3 GLU A 40 -3.819 -0.414 -28.459 1.00 71.13 H new ATOM 640 N GLY A 41 -6.351 -0.197 -33.219 1.00 12.45 N ATOM 641 CA GLY A 41 -6.106 0.253 -34.578 1.00 0.44 C ATOM 642 C GLY A 41 -4.628 0.341 -34.902 1.00 54.13 C ATOM 643 O GLY A 41 -3.973 1.333 -34.581 1.00 32.21 O ATOM 0 H GLY A 41 -6.753 -1.131 -33.142 1.00 12.45 H new ATOM 0 HA2 GLY A 41 -6.588 -0.431 -35.276 1.00 0.44 H new ATOM 0 HA3 GLY A 41 -6.565 1.231 -34.722 1.00 0.44 H new ATOM 647 N LEU A 42 -4.100 -0.699 -35.538 1.00 61.22 N ATOM 648 CA LEU A 42 -2.690 -0.736 -35.905 1.00 32.11 C ATOM 649 C LEU A 42 -2.438 0.053 -37.185 1.00 60.11 C ATOM 650 O LEU A 42 -2.927 -0.310 -38.256 1.00 61.12 O ATOM 651 CB LEU A 42 -2.228 -2.183 -36.085 1.00 31.00 C ATOM 652 CG LEU A 42 -0.825 -2.509 -35.569 1.00 10.43 C ATOM 653 CD1 LEU A 42 0.223 -1.717 -36.333 1.00 61.11 C ATOM 654 CD2 LEU A 42 -0.728 -2.227 -34.077 1.00 25.43 C ATOM 0 H LEU A 42 -4.628 -1.528 -35.810 1.00 61.22 H new ATOM 0 HA LEU A 42 -2.119 -0.275 -35.099 1.00 32.11 H new ATOM 0 HB2 LEU A 42 -2.940 -2.836 -35.580 1.00 31.00 H new ATOM 0 HB3 LEU A 42 -2.269 -2.427 -37.147 1.00 31.00 H new ATOM 0 HG LEU A 42 -0.636 -3.570 -35.731 1.00 10.43 H new ATOM 0 HD11 LEU A 42 1.214 -1.962 -35.952 1.00 61.11 H new ATOM 0 HD12 LEU A 42 0.169 -1.969 -37.392 1.00 61.11 H new ATOM 0 HD13 LEU A 42 0.039 -0.650 -36.204 1.00 61.11 H new ATOM 0 HD21 LEU A 42 0.276 -2.464 -33.726 1.00 25.43 H new ATOM 0 HD22 LEU A 42 -0.938 -1.174 -33.891 1.00 25.43 H new ATOM 0 HD23 LEU A 42 -1.453 -2.841 -33.543 1.00 25.43 H new ATOM 666 N ASP A 43 -1.673 1.133 -37.069 1.00 24.10 N ATOM 667 CA ASP A 43 -1.354 1.972 -38.218 1.00 33.24 C ATOM 668 C ASP A 43 0.152 2.024 -38.451 1.00 21.14 C ATOM 669 O ASP A 43 0.927 1.427 -37.705 1.00 4.53 O ATOM 670 CB ASP A 43 -1.901 3.386 -38.011 1.00 14.14 C ATOM 671 CG ASP A 43 -2.321 4.040 -39.312 1.00 53.01 C ATOM 672 OD1 ASP A 43 -3.381 3.661 -39.851 1.00 52.23 O ATOM 673 OD2 ASP A 43 -1.588 4.931 -39.792 1.00 4.11 O ATOM 0 H ASP A 43 -1.262 1.448 -36.190 1.00 24.10 H new ATOM 0 HA ASP A 43 -1.824 1.535 -39.099 1.00 33.24 H new ATOM 0 HB2 ASP A 43 -2.755 3.347 -37.335 1.00 14.14 H new ATOM 0 HB3 ASP A 43 -1.140 4.000 -37.528 1.00 14.14 H new ATOM 678 N ALA A 44 0.560 2.743 -39.492 1.00 11.33 N ATOM 679 CA ALA A 44 1.974 2.874 -39.823 1.00 41.31 C ATOM 680 C ALA A 44 2.759 3.456 -38.652 1.00 2.35 C ATOM 681 O ALA A 44 3.874 3.019 -38.365 1.00 3.31 O ATOM 682 CB ALA A 44 2.148 3.741 -41.061 1.00 54.41 C ATOM 0 H ALA A 44 -0.068 3.244 -40.120 1.00 11.33 H new ATOM 0 HA ALA A 44 2.367 1.879 -40.032 1.00 41.31 H new ATOM 0 HB1 ALA A 44 3.208 3.830 -41.297 1.00 54.41 H new ATOM 0 HB2 ALA A 44 1.627 3.283 -41.902 1.00 54.41 H new ATOM 0 HB3 ALA A 44 1.734 4.731 -40.873 1.00 54.41 H new ATOM 688 N GLU A 45 2.172 4.443 -37.983 1.00 21.11 N ATOM 689 CA GLU A 45 2.819 5.084 -36.845 1.00 32.33 C ATOM 690 C GLU A 45 3.194 4.056 -35.782 1.00 22.11 C ATOM 691 O GLU A 45 4.336 4.006 -35.324 1.00 3.32 O ATOM 692 CB GLU A 45 1.901 6.149 -36.241 1.00 25.10 C ATOM 693 CG GLU A 45 2.519 6.890 -35.067 1.00 65.44 C ATOM 694 CD GLU A 45 1.680 8.069 -34.615 1.00 54.25 C ATOM 695 OE1 GLU A 45 1.730 9.122 -35.285 1.00 31.22 O ATOM 696 OE2 GLU A 45 0.975 7.940 -33.593 1.00 35.42 O ATOM 0 H GLU A 45 1.250 4.816 -38.209 1.00 21.11 H new ATOM 0 HA GLU A 45 3.732 5.562 -37.200 1.00 32.33 H new ATOM 0 HB2 GLU A 45 1.635 6.869 -37.015 1.00 25.10 H new ATOM 0 HB3 GLU A 45 0.975 5.676 -35.914 1.00 25.10 H new ATOM 0 HG2 GLU A 45 2.648 6.200 -34.233 1.00 65.44 H new ATOM 0 HG3 GLU A 45 3.512 7.241 -35.346 1.00 65.44 H new ATOM 703 N THR A 46 2.223 3.237 -35.392 1.00 73.34 N ATOM 704 CA THR A 46 2.448 2.211 -34.380 1.00 14.20 C ATOM 705 C THR A 46 3.474 1.189 -34.854 1.00 20.44 C ATOM 706 O THR A 46 4.458 0.915 -34.165 1.00 51.10 O ATOM 707 CB THR A 46 1.141 1.480 -34.021 1.00 72.32 C ATOM 708 OG1 THR A 46 0.197 1.609 -35.090 1.00 61.33 O ATOM 709 CG2 THR A 46 0.542 2.041 -32.740 1.00 1.32 C ATOM 0 H THR A 46 1.273 3.264 -35.761 1.00 73.34 H new ATOM 0 HA THR A 46 2.827 2.719 -33.493 1.00 14.20 H new ATOM 0 HB THR A 46 1.372 0.426 -33.866 1.00 72.32 H new ATOM 0 HG1 THR A 46 0.633 1.389 -35.940 1.00 61.33 H new ATOM 0 HG21 THR A 46 -0.380 1.509 -32.506 1.00 1.32 H new ATOM 0 HG22 THR A 46 1.251 1.915 -31.921 1.00 1.32 H new ATOM 0 HG23 THR A 46 0.326 3.101 -32.873 1.00 1.32 H new ATOM 717 N LEU A 47 3.242 0.626 -36.035 1.00 41.05 N ATOM 718 CA LEU A 47 4.147 -0.367 -36.602 1.00 30.54 C ATOM 719 C LEU A 47 5.581 0.153 -36.622 1.00 4.21 C ATOM 720 O LEU A 47 6.506 -0.532 -36.187 1.00 62.44 O ATOM 721 CB LEU A 47 3.707 -0.736 -38.020 1.00 40.43 C ATOM 722 CG LEU A 47 4.024 -2.163 -38.471 1.00 30.21 C ATOM 723 CD1 LEU A 47 5.523 -2.419 -38.414 1.00 72.53 C ATOM 724 CD2 LEU A 47 3.276 -3.172 -37.612 1.00 35.34 C ATOM 0 H LEU A 47 2.434 0.841 -36.619 1.00 41.05 H new ATOM 0 HA LEU A 47 4.111 -1.257 -35.974 1.00 30.54 H new ATOM 0 HB2 LEU A 47 2.631 -0.583 -38.096 1.00 40.43 H new ATOM 0 HB3 LEU A 47 4.178 -0.043 -38.717 1.00 40.43 H new ATOM 0 HG LEU A 47 3.694 -2.280 -39.503 1.00 30.21 H new ATOM 0 HD11 LEU A 47 5.731 -3.439 -38.738 1.00 72.53 H new ATOM 0 HD12 LEU A 47 6.037 -1.718 -39.071 1.00 72.53 H new ATOM 0 HD13 LEU A 47 5.877 -2.284 -37.392 1.00 72.53 H new ATOM 0 HD21 LEU A 47 3.513 -4.182 -37.947 1.00 35.34 H new ATOM 0 HD22 LEU A 47 3.575 -3.056 -36.570 1.00 35.34 H new ATOM 0 HD23 LEU A 47 2.203 -3.002 -37.703 1.00 35.34 H new ATOM 736 N ASP A 48 5.757 1.368 -37.128 1.00 1.01 N ATOM 737 CA ASP A 48 7.079 1.982 -37.202 1.00 1.33 C ATOM 738 C ASP A 48 7.704 2.092 -35.815 1.00 4.12 C ATOM 739 O ASP A 48 8.824 1.631 -35.591 1.00 45.52 O ATOM 740 CB ASP A 48 6.987 3.367 -37.844 1.00 15.35 C ATOM 741 CG ASP A 48 8.280 3.780 -38.519 1.00 42.32 C ATOM 742 OD1 ASP A 48 9.276 3.037 -38.396 1.00 70.50 O ATOM 743 OD2 ASP A 48 8.296 4.845 -39.170 1.00 12.50 O ATOM 0 H ASP A 48 5.002 1.948 -37.493 1.00 1.01 H new ATOM 0 HA ASP A 48 7.714 1.346 -37.819 1.00 1.33 H new ATOM 0 HB2 ASP A 48 6.180 3.371 -38.577 1.00 15.35 H new ATOM 0 HB3 ASP A 48 6.728 4.101 -37.081 1.00 15.35 H new ATOM 748 N ARG A 49 6.975 2.705 -34.889 1.00 40.22 N ATOM 749 CA ARG A 49 7.460 2.877 -33.525 1.00 24.55 C ATOM 750 C ARG A 49 7.818 1.531 -32.900 1.00 53.00 C ATOM 751 O ARG A 49 8.812 1.411 -32.185 1.00 73.52 O ATOM 752 CB ARG A 49 6.405 3.582 -32.671 1.00 41.24 C ATOM 753 CG ARG A 49 6.985 4.335 -31.484 1.00 35.00 C ATOM 754 CD ARG A 49 7.417 5.740 -31.874 1.00 53.11 C ATOM 755 NE ARG A 49 6.274 6.626 -32.083 1.00 73.43 N ATOM 756 CZ ARG A 49 6.380 7.862 -32.555 1.00 12.33 C ATOM 757 NH1 ARG A 49 7.570 8.357 -32.867 1.00 1.45 N ATOM 758 NH2 ARG A 49 5.294 8.608 -32.718 1.00 21.11 N ATOM 0 H ARG A 49 6.046 3.091 -35.058 1.00 40.22 H new ATOM 0 HA ARG A 49 8.359 3.492 -33.562 1.00 24.55 H new ATOM 0 HB2 ARG A 49 5.850 4.280 -33.298 1.00 41.24 H new ATOM 0 HB3 ARG A 49 5.691 2.843 -32.308 1.00 41.24 H new ATOM 0 HG2 ARG A 49 6.243 4.389 -30.688 1.00 35.00 H new ATOM 0 HG3 ARG A 49 7.839 3.787 -31.086 1.00 35.00 H new ATOM 0 HD2 ARG A 49 8.057 6.152 -31.094 1.00 53.11 H new ATOM 0 HD3 ARG A 49 8.013 5.696 -32.785 1.00 53.11 H new ATOM 0 HE ARG A 49 5.344 6.276 -31.854 1.00 73.43 H new ATOM 0 HH11 ARG A 49 8.407 7.788 -32.745 1.00 1.45 H new ATOM 0 HH12 ARG A 49 7.648 9.307 -33.230 1.00 1.45 H new ATOM 0 HH21 ARG A 49 4.376 8.232 -32.480 1.00 21.11 H new ATOM 0 HH22 ARG A 49 5.377 9.558 -33.081 1.00 21.11 H new ATOM 772 N PHE A 50 7.000 0.521 -33.177 1.00 52.05 N ATOM 773 CA PHE A 50 7.229 -0.817 -32.643 1.00 23.30 C ATOM 774 C PHE A 50 8.412 -1.485 -33.337 1.00 71.14 C ATOM 775 O PHE A 50 9.080 -2.346 -32.761 1.00 40.10 O ATOM 776 CB PHE A 50 5.975 -1.677 -32.807 1.00 63.44 C ATOM 777 CG PHE A 50 4.863 -1.304 -31.868 1.00 22.12 C ATOM 778 CD1 PHE A 50 5.115 -1.106 -30.519 1.00 32.42 C ATOM 779 CD2 PHE A 50 3.568 -1.149 -32.334 1.00 14.32 C ATOM 780 CE1 PHE A 50 4.095 -0.762 -29.653 1.00 14.22 C ATOM 781 CE2 PHE A 50 2.543 -0.805 -31.471 1.00 41.31 C ATOM 782 CZ PHE A 50 2.807 -0.610 -30.130 1.00 24.45 C ATOM 0 H PHE A 50 6.173 0.603 -33.768 1.00 52.05 H new ATOM 0 HA PHE A 50 7.459 -0.722 -31.582 1.00 23.30 H new ATOM 0 HB2 PHE A 50 5.617 -1.591 -33.833 1.00 63.44 H new ATOM 0 HB3 PHE A 50 6.238 -2.723 -32.648 1.00 63.44 H new ATOM 0 HD1 PHE A 50 6.120 -1.222 -30.141 1.00 32.42 H new ATOM 0 HD2 PHE A 50 3.356 -1.298 -33.382 1.00 14.32 H new ATOM 0 HE1 PHE A 50 4.304 -0.612 -28.604 1.00 14.22 H new ATOM 0 HE2 PHE A 50 1.537 -0.689 -31.846 1.00 41.31 H new ATOM 0 HZ PHE A 50 2.008 -0.339 -29.455 1.00 24.45 H new ATOM 792 N LEU A 51 8.666 -1.084 -34.577 1.00 22.50 N ATOM 793 CA LEU A 51 9.768 -1.642 -35.352 1.00 0.23 C ATOM 794 C LEU A 51 11.112 -1.153 -34.819 1.00 53.31 C ATOM 795 O LEU A 51 12.011 -1.948 -34.545 1.00 22.12 O ATOM 796 CB LEU A 51 9.624 -1.265 -36.827 1.00 24.51 C ATOM 797 CG LEU A 51 10.265 -2.224 -37.831 1.00 22.33 C ATOM 798 CD1 LEU A 51 11.772 -2.274 -37.636 1.00 70.24 C ATOM 799 CD2 LEU A 51 9.662 -3.615 -37.699 1.00 23.22 C ATOM 0 H LEU A 51 8.123 -0.374 -35.068 1.00 22.50 H new ATOM 0 HA LEU A 51 9.733 -2.727 -35.256 1.00 0.23 H new ATOM 0 HB2 LEU A 51 8.562 -1.185 -37.059 1.00 24.51 H new ATOM 0 HB3 LEU A 51 10.058 -0.276 -36.972 1.00 24.51 H new ATOM 0 HG LEU A 51 10.062 -1.855 -38.836 1.00 22.33 H new ATOM 0 HD11 LEU A 51 12.210 -2.962 -38.360 1.00 70.24 H new ATOM 0 HD12 LEU A 51 12.191 -1.278 -37.782 1.00 70.24 H new ATOM 0 HD13 LEU A 51 11.997 -2.618 -36.626 1.00 70.24 H new ATOM 0 HD21 LEU A 51 10.130 -4.284 -38.421 1.00 23.22 H new ATOM 0 HD22 LEU A 51 9.834 -3.992 -36.691 1.00 23.22 H new ATOM 0 HD23 LEU A 51 8.590 -3.567 -37.891 1.00 23.22 H new ATOM 811 N LYS A 52 11.242 0.161 -34.673 1.00 72.22 N ATOM 812 CA LYS A 52 12.472 0.758 -34.170 1.00 13.04 C ATOM 813 C LYS A 52 12.790 0.251 -32.767 1.00 1.22 C ATOM 814 O LYS A 52 13.950 0.212 -32.357 1.00 22.51 O ATOM 815 CB LYS A 52 12.356 2.284 -34.159 1.00 14.41 C ATOM 816 CG LYS A 52 12.149 2.889 -35.536 1.00 64.25 C ATOM 817 CD LYS A 52 13.472 3.236 -36.198 1.00 12.02 C ATOM 818 CE LYS A 52 13.265 3.842 -37.577 1.00 32.31 C ATOM 819 NZ LYS A 52 12.689 2.857 -38.535 1.00 13.43 N ATOM 0 H LYS A 52 10.509 0.834 -34.897 1.00 72.22 H new ATOM 0 HA LYS A 52 13.285 0.467 -34.835 1.00 13.04 H new ATOM 0 HB2 LYS A 52 11.524 2.572 -33.516 1.00 14.41 H new ATOM 0 HB3 LYS A 52 13.260 2.705 -33.719 1.00 14.41 H new ATOM 0 HG2 LYS A 52 11.600 2.187 -36.164 1.00 64.25 H new ATOM 0 HG3 LYS A 52 11.537 3.787 -35.451 1.00 64.25 H new ATOM 0 HD2 LYS A 52 14.021 3.938 -35.570 1.00 12.02 H new ATOM 0 HD3 LYS A 52 14.084 2.338 -36.283 1.00 12.02 H new ATOM 0 HE2 LYS A 52 12.602 4.704 -37.499 1.00 32.31 H new ATOM 0 HE3 LYS A 52 14.218 4.207 -37.960 1.00 32.31 H new ATOM 0 HZ1 LYS A 52 12.987 3.098 -39.502 1.00 13.43 H new ATOM 0 HZ2 LYS A 52 13.027 1.903 -38.297 1.00 13.43 H new ATOM 0 HZ3 LYS A 52 11.651 2.882 -38.476 1.00 13.43 H new ATOM 833 N THR A 53 11.750 -0.138 -32.035 1.00 24.20 N ATOM 834 CA THR A 53 11.918 -0.644 -30.678 1.00 34.52 C ATOM 835 C THR A 53 12.129 -2.153 -30.675 1.00 21.14 C ATOM 836 O THR A 53 12.799 -2.695 -29.796 1.00 72.44 O ATOM 837 CB THR A 53 10.700 -0.306 -29.799 1.00 24.53 C ATOM 838 OG1 THR A 53 10.473 1.108 -29.797 1.00 13.12 O ATOM 839 CG2 THR A 53 10.909 -0.793 -28.373 1.00 64.44 C ATOM 0 H THR A 53 10.783 -0.112 -32.359 1.00 24.20 H new ATOM 0 HA THR A 53 12.802 -0.156 -30.266 1.00 34.52 H new ATOM 0 HB THR A 53 9.829 -0.812 -30.215 1.00 24.53 H new ATOM 0 HG1 THR A 53 9.943 1.355 -30.584 1.00 13.12 H new ATOM 0 HG21 THR A 53 10.035 -0.543 -27.771 1.00 64.44 H new ATOM 0 HG22 THR A 53 11.051 -1.874 -28.375 1.00 64.44 H new ATOM 0 HG23 THR A 53 11.791 -0.312 -27.950 1.00 64.44 H new ATOM 847 N VAL A 54 11.556 -2.829 -31.667 1.00 5.34 N ATOM 848 CA VAL A 54 11.683 -4.277 -31.779 1.00 43.11 C ATOM 849 C VAL A 54 11.727 -4.711 -33.240 1.00 50.42 C ATOM 850 O VAL A 54 10.927 -4.276 -34.068 1.00 41.32 O ATOM 851 CB VAL A 54 10.519 -4.999 -31.075 1.00 32.21 C ATOM 852 CG1 VAL A 54 10.679 -6.507 -31.191 1.00 15.02 C ATOM 853 CG2 VAL A 54 10.433 -4.573 -29.618 1.00 51.22 C ATOM 0 H VAL A 54 10.999 -2.396 -32.404 1.00 5.34 H new ATOM 0 HA VAL A 54 12.618 -4.552 -31.292 1.00 43.11 H new ATOM 0 HB VAL A 54 9.588 -4.718 -31.567 1.00 32.21 H new ATOM 0 HG11 VAL A 54 9.848 -7.001 -30.688 1.00 15.02 H new ATOM 0 HG12 VAL A 54 10.688 -6.792 -32.243 1.00 15.02 H new ATOM 0 HG13 VAL A 54 11.617 -6.810 -30.725 1.00 15.02 H new ATOM 0 HG21 VAL A 54 9.605 -5.093 -29.135 1.00 51.22 H new ATOM 0 HG22 VAL A 54 11.364 -4.824 -29.110 1.00 51.22 H new ATOM 0 HG23 VAL A 54 10.268 -3.497 -29.563 1.00 51.22 H new ATOM 863 N PRO A 55 12.684 -5.593 -33.565 1.00 2.25 N ATOM 864 CA PRO A 55 12.856 -6.108 -34.927 1.00 2.03 C ATOM 865 C PRO A 55 11.721 -7.038 -35.343 1.00 74.41 C ATOM 866 O PRO A 55 11.232 -7.832 -34.539 1.00 51.24 O ATOM 867 CB PRO A 55 14.178 -6.878 -34.851 1.00 33.24 C ATOM 868 CG PRO A 55 14.308 -7.266 -33.419 1.00 34.23 C ATOM 869 CD PRO A 55 13.673 -6.156 -32.630 1.00 62.25 C ATOM 0 HA PRO A 55 12.854 -5.309 -35.668 1.00 2.03 H new ATOM 0 HB2 PRO A 55 14.164 -7.754 -35.499 1.00 33.24 H new ATOM 0 HB3 PRO A 55 15.016 -6.259 -35.171 1.00 33.24 H new ATOM 0 HG2 PRO A 55 13.810 -8.216 -33.226 1.00 34.23 H new ATOM 0 HG3 PRO A 55 15.355 -7.392 -33.142 1.00 34.23 H new ATOM 0 HD2 PRO A 55 13.200 -6.529 -31.722 1.00 62.25 H new ATOM 0 HD3 PRO A 55 14.407 -5.410 -32.324 1.00 62.25 H new ATOM 877 N TRP A 56 11.309 -6.936 -36.600 1.00 2.13 N ATOM 878 CA TRP A 56 10.232 -7.769 -37.122 1.00 72.32 C ATOM 879 C TRP A 56 10.503 -9.244 -36.847 1.00 33.30 C ATOM 880 O TRP A 56 9.606 -9.982 -36.440 1.00 54.31 O ATOM 881 CB TRP A 56 10.064 -7.540 -38.625 1.00 43.12 C ATOM 882 CG TRP A 56 11.338 -7.705 -39.397 1.00 71.25 C ATOM 883 CD1 TRP A 56 12.279 -6.746 -39.640 1.00 71.41 C ATOM 884 CD2 TRP A 56 11.810 -8.900 -40.028 1.00 63.01 C ATOM 885 NE1 TRP A 56 13.307 -7.274 -40.384 1.00 11.50 N ATOM 886 CE2 TRP A 56 13.043 -8.594 -40.634 1.00 54.44 C ATOM 887 CE3 TRP A 56 11.310 -10.201 -40.137 1.00 64.22 C ATOM 888 CZ2 TRP A 56 13.781 -9.540 -41.339 1.00 2.44 C ATOM 889 CZ3 TRP A 56 12.044 -11.140 -40.838 1.00 44.31 C ATOM 890 CH2 TRP A 56 13.269 -10.806 -41.431 1.00 14.15 C ATOM 0 H TRP A 56 11.704 -6.284 -37.278 1.00 2.13 H new ATOM 0 HA TRP A 56 9.310 -7.487 -36.614 1.00 72.32 H new ATOM 0 HB2 TRP A 56 9.321 -8.238 -39.011 1.00 43.12 H new ATOM 0 HB3 TRP A 56 9.674 -6.536 -38.791 1.00 43.12 H new ATOM 0 HD1 TRP A 56 12.224 -5.723 -39.298 1.00 71.41 H new ATOM 0 HE1 TRP A 56 14.133 -6.765 -40.699 1.00 11.50 H new ATOM 0 HE3 TRP A 56 10.368 -10.468 -39.682 1.00 64.22 H new ATOM 0 HZ2 TRP A 56 14.725 -9.284 -41.798 1.00 2.44 H new ATOM 0 HZ3 TRP A 56 11.667 -12.148 -40.930 1.00 44.31 H new ATOM 0 HH2 TRP A 56 13.820 -11.562 -41.971 1.00 14.15 H new ATOM 901 N GLU A 57 11.743 -9.665 -37.072 1.00 24.51 N ATOM 902 CA GLU A 57 12.129 -11.054 -36.848 1.00 64.15 C ATOM 903 C GLU A 57 11.725 -11.512 -35.449 1.00 74.11 C ATOM 904 O GLU A 57 11.440 -12.689 -35.230 1.00 43.02 O ATOM 905 CB GLU A 57 13.639 -11.222 -37.036 1.00 44.32 C ATOM 906 CG GLU A 57 14.465 -10.199 -36.275 1.00 74.32 C ATOM 907 CD GLU A 57 15.923 -10.599 -36.157 1.00 2.22 C ATOM 908 OE1 GLU A 57 16.196 -11.720 -35.681 1.00 73.32 O ATOM 909 OE2 GLU A 57 16.792 -9.788 -36.543 1.00 35.22 O ATOM 0 H GLU A 57 12.497 -9.066 -37.409 1.00 24.51 H new ATOM 0 HA GLU A 57 11.607 -11.673 -37.578 1.00 64.15 H new ATOM 0 HB2 GLU A 57 13.928 -12.222 -36.713 1.00 44.32 H new ATOM 0 HB3 GLU A 57 13.875 -11.149 -38.098 1.00 44.32 H new ATOM 0 HG2 GLU A 57 14.396 -9.235 -36.778 1.00 74.32 H new ATOM 0 HG3 GLU A 57 14.046 -10.068 -35.277 1.00 74.32 H new ATOM 916 N GLN A 58 11.704 -10.574 -34.508 1.00 73.33 N ATOM 917 CA GLN A 58 11.337 -10.881 -33.132 1.00 13.45 C ATOM 918 C GLN A 58 10.070 -10.135 -32.726 1.00 24.32 C ATOM 919 O GLN A 58 9.872 -9.818 -31.552 1.00 52.14 O ATOM 920 CB GLN A 58 12.481 -10.520 -32.183 1.00 52.31 C ATOM 921 CG GLN A 58 13.800 -11.190 -32.537 1.00 2.22 C ATOM 922 CD GLN A 58 14.789 -11.174 -31.388 1.00 73.04 C ATOM 923 OE1 GLN A 58 14.524 -10.596 -30.333 1.00 12.51 O ATOM 924 NE2 GLN A 58 15.936 -11.813 -31.586 1.00 11.14 N ATOM 0 H GLN A 58 11.937 -9.595 -34.674 1.00 73.33 H new ATOM 0 HA GLN A 58 11.143 -11.952 -33.066 1.00 13.45 H new ATOM 0 HB2 GLN A 58 12.619 -9.439 -32.189 1.00 52.31 H new ATOM 0 HB3 GLN A 58 12.202 -10.800 -31.167 1.00 52.31 H new ATOM 0 HG2 GLN A 58 13.611 -12.221 -32.834 1.00 2.22 H new ATOM 0 HG3 GLN A 58 14.240 -10.686 -33.397 1.00 2.22 H new ATOM 0 HE21 GLN A 58 16.113 -12.278 -32.476 1.00 11.14 H new ATOM 0 HE22 GLN A 58 16.640 -11.838 -30.848 1.00 11.14 H new ATOM 933 N LEU A 59 9.215 -9.857 -33.704 1.00 41.15 N ATOM 934 CA LEU A 59 7.967 -9.146 -33.449 1.00 23.12 C ATOM 935 C LEU A 59 6.778 -9.914 -34.020 1.00 51.11 C ATOM 936 O LEU A 59 5.648 -9.422 -34.018 1.00 4.12 O ATOM 937 CB LEU A 59 8.022 -7.744 -34.056 1.00 20.44 C ATOM 938 CG LEU A 59 6.971 -6.753 -33.553 1.00 33.41 C ATOM 939 CD1 LEU A 59 7.069 -6.590 -32.045 1.00 5.54 C ATOM 940 CD2 LEU A 59 7.130 -5.408 -34.248 1.00 61.44 C ATOM 0 H LEU A 59 9.363 -10.113 -34.680 1.00 41.15 H new ATOM 0 HA LEU A 59 7.839 -9.062 -32.370 1.00 23.12 H new ATOM 0 HB2 LEU A 59 9.009 -7.325 -33.863 1.00 20.44 H new ATOM 0 HB3 LEU A 59 7.920 -7.834 -35.137 1.00 20.44 H new ATOM 0 HG LEU A 59 5.984 -7.149 -33.791 1.00 33.41 H new ATOM 0 HD11 LEU A 59 6.314 -5.881 -31.706 1.00 5.54 H new ATOM 0 HD12 LEU A 59 6.905 -7.554 -31.563 1.00 5.54 H new ATOM 0 HD13 LEU A 59 8.059 -6.218 -31.783 1.00 5.54 H new ATOM 0 HD21 LEU A 59 6.374 -4.716 -33.878 1.00 61.44 H new ATOM 0 HD22 LEU A 59 8.122 -5.007 -34.041 1.00 61.44 H new ATOM 0 HD23 LEU A 59 7.008 -5.537 -35.323 1.00 61.44 H new ATOM 952 N LEU A 60 7.040 -11.122 -34.507 1.00 55.45 N ATOM 953 CA LEU A 60 5.991 -11.959 -35.080 1.00 62.31 C ATOM 954 C LEU A 60 6.283 -13.437 -34.842 1.00 44.10 C ATOM 955 O LEU A 60 7.441 -13.847 -34.769 1.00 61.30 O ATOM 956 CB LEU A 60 5.857 -11.689 -36.579 1.00 44.32 C ATOM 957 CG LEU A 60 6.860 -12.405 -37.483 1.00 11.04 C ATOM 958 CD1 LEU A 60 6.177 -13.517 -38.264 1.00 41.24 C ATOM 959 CD2 LEU A 60 7.526 -11.417 -38.429 1.00 71.44 C ATOM 0 H LEU A 60 7.969 -11.544 -34.517 1.00 55.45 H new ATOM 0 HA LEU A 60 5.052 -11.709 -34.587 1.00 62.31 H new ATOM 0 HB2 LEU A 60 4.851 -11.972 -36.890 1.00 44.32 H new ATOM 0 HB3 LEU A 60 5.951 -10.616 -36.744 1.00 44.32 H new ATOM 0 HG LEU A 60 7.631 -12.852 -36.855 1.00 11.04 H new ATOM 0 HD11 LEU A 60 6.907 -14.015 -38.902 1.00 41.24 H new ATOM 0 HD12 LEU A 60 5.749 -14.240 -37.569 1.00 41.24 H new ATOM 0 HD13 LEU A 60 5.384 -13.094 -38.881 1.00 41.24 H new ATOM 0 HD21 LEU A 60 8.237 -11.945 -39.065 1.00 71.44 H new ATOM 0 HD22 LEU A 60 6.768 -10.940 -39.050 1.00 71.44 H new ATOM 0 HD23 LEU A 60 8.051 -10.657 -37.851 1.00 71.44 H new ATOM 971 N ASN A 61 5.225 -14.233 -34.723 1.00 14.22 N ATOM 972 CA ASN A 61 5.370 -15.666 -34.496 1.00 33.24 C ATOM 973 C ASN A 61 6.311 -16.289 -35.522 1.00 54.15 C ATOM 974 O ASN A 61 6.260 -15.957 -36.707 1.00 1.23 O ATOM 975 CB ASN A 61 4.004 -16.354 -34.557 1.00 52.35 C ATOM 976 CG ASN A 61 3.123 -15.791 -35.657 1.00 2.34 C ATOM 977 OD1 ASN A 61 2.097 -15.168 -35.388 1.00 42.20 O ATOM 978 ND2 ASN A 61 3.523 -16.011 -36.904 1.00 71.33 N ATOM 0 H ASN A 61 4.259 -13.910 -34.780 1.00 14.22 H new ATOM 0 HA ASN A 61 5.798 -15.809 -33.504 1.00 33.24 H new ATOM 0 HB2 ASN A 61 4.145 -17.423 -34.719 1.00 52.35 H new ATOM 0 HB3 ASN A 61 3.500 -16.241 -33.597 1.00 52.35 H new ATOM 0 HD21 ASN A 61 2.972 -15.658 -37.686 1.00 71.33 H new ATOM 0 HD22 ASN A 61 4.381 -16.533 -37.080 1.00 71.33 H new ATOM 985 N ARG A 62 7.168 -17.192 -35.060 1.00 14.43 N ATOM 986 CA ARG A 62 8.122 -17.861 -35.937 1.00 62.32 C ATOM 987 C ARG A 62 7.718 -19.314 -36.173 1.00 71.20 C ATOM 988 O ARG A 62 7.832 -19.826 -37.286 1.00 73.11 O ATOM 989 CB ARG A 62 9.528 -17.802 -35.336 1.00 1.22 C ATOM 990 CG ARG A 62 10.177 -16.431 -35.439 1.00 71.45 C ATOM 991 CD ARG A 62 9.969 -15.621 -34.170 1.00 72.42 C ATOM 992 NE ARG A 62 10.819 -16.088 -33.076 1.00 15.00 N ATOM 993 CZ ARG A 62 12.136 -15.923 -33.048 1.00 45.11 C ATOM 994 NH1 ARG A 62 12.752 -15.305 -34.046 1.00 32.15 N ATOM 995 NH2 ARG A 62 12.840 -16.376 -32.019 1.00 4.03 N ATOM 0 H ARG A 62 7.222 -17.478 -34.082 1.00 14.43 H new ATOM 0 HA ARG A 62 8.122 -17.342 -36.896 1.00 62.32 H new ATOM 0 HB2 ARG A 62 9.478 -18.093 -34.287 1.00 1.22 H new ATOM 0 HB3 ARG A 62 10.160 -18.533 -35.840 1.00 1.22 H new ATOM 0 HG2 ARG A 62 11.244 -16.546 -35.628 1.00 71.45 H new ATOM 0 HG3 ARG A 62 9.759 -15.892 -36.289 1.00 71.45 H new ATOM 0 HD2 ARG A 62 10.182 -14.571 -34.371 1.00 72.42 H new ATOM 0 HD3 ARG A 62 8.923 -15.682 -33.868 1.00 72.42 H new ATOM 0 HE ARG A 62 10.376 -16.567 -32.292 1.00 15.00 H new ATOM 0 HH11 ARG A 62 12.214 -14.955 -34.839 1.00 32.15 H new ATOM 0 HH12 ARG A 62 13.764 -15.180 -34.021 1.00 32.15 H new ATOM 0 HH21 ARG A 62 12.369 -16.851 -31.249 1.00 4.03 H new ATOM 0 HH22 ARG A 62 13.852 -16.249 -31.998 1.00 4.03 H new ATOM 1009 N ALA A 63 7.247 -19.969 -35.117 1.00 13.41 N ATOM 1010 CA ALA A 63 6.826 -21.362 -35.209 1.00 11.25 C ATOM 1011 C ALA A 63 5.305 -21.474 -35.233 1.00 40.23 C ATOM 1012 O ALA A 63 4.739 -22.468 -34.778 1.00 15.22 O ATOM 1013 CB ALA A 63 7.399 -22.165 -34.051 1.00 4.01 C ATOM 0 H ALA A 63 7.147 -19.558 -34.189 1.00 13.41 H new ATOM 0 HA ALA A 63 7.210 -21.771 -36.144 1.00 11.25 H new ATOM 0 HB1 ALA A 63 7.076 -23.203 -34.133 1.00 4.01 H new ATOM 0 HB2 ALA A 63 8.488 -22.120 -34.081 1.00 4.01 H new ATOM 0 HB3 ALA A 63 7.044 -21.748 -33.108 1.00 4.01 H new ATOM 1019 N GLY A 64 4.648 -20.449 -35.766 1.00 15.42 N ATOM 1020 CA GLY A 64 3.199 -20.452 -35.838 1.00 64.14 C ATOM 1021 C GLY A 64 2.688 -20.703 -37.243 1.00 10.02 C ATOM 1022 O GLY A 64 3.358 -20.378 -38.223 1.00 62.15 O ATOM 0 H GLY A 64 5.094 -19.616 -36.150 1.00 15.42 H new ATOM 0 HA2 GLY A 64 2.807 -21.219 -35.170 1.00 64.14 H new ATOM 0 HA3 GLY A 64 2.819 -19.494 -35.482 1.00 64.14 H new ATOM 1026 N THR A 65 1.497 -21.286 -37.343 1.00 32.42 N ATOM 1027 CA THR A 65 0.898 -21.582 -38.638 1.00 14.14 C ATOM 1028 C THR A 65 0.849 -20.340 -39.519 1.00 2.22 C ATOM 1029 O THR A 65 0.950 -20.429 -40.743 1.00 74.54 O ATOM 1030 CB THR A 65 -0.528 -22.144 -38.482 1.00 43.52 C ATOM 1031 OG1 THR A 65 -1.352 -21.201 -37.785 1.00 71.44 O ATOM 1032 CG2 THR A 65 -0.511 -23.464 -37.727 1.00 24.43 C ATOM 0 H THR A 65 0.929 -21.562 -36.542 1.00 32.42 H new ATOM 0 HA THR A 65 1.528 -22.335 -39.112 1.00 14.14 H new ATOM 0 HB THR A 65 -0.937 -22.319 -39.477 1.00 43.52 H new ATOM 0 HG1 THR A 65 -2.257 -21.564 -37.691 1.00 71.44 H new ATOM 0 HG21 THR A 65 -1.529 -23.841 -37.630 1.00 24.43 H new ATOM 0 HG22 THR A 65 0.093 -24.188 -38.274 1.00 24.43 H new ATOM 0 HG23 THR A 65 -0.085 -23.311 -36.736 1.00 24.43 H new ATOM 1040 N THR A 66 0.696 -19.179 -38.890 1.00 75.01 N ATOM 1041 CA THR A 66 0.634 -17.917 -39.617 1.00 24.34 C ATOM 1042 C THR A 66 1.833 -17.759 -40.545 1.00 70.12 C ATOM 1043 O THR A 66 1.679 -17.437 -41.724 1.00 31.44 O ATOM 1044 CB THR A 66 0.581 -16.716 -38.655 1.00 53.23 C ATOM 1045 OG1 THR A 66 1.044 -17.107 -37.357 1.00 11.42 O ATOM 1046 CG2 THR A 66 -0.834 -16.168 -38.550 1.00 2.54 C ATOM 0 H THR A 66 0.613 -19.087 -37.878 1.00 75.01 H new ATOM 0 HA THR A 66 -0.281 -17.938 -40.209 1.00 24.34 H new ATOM 0 HB THR A 66 1.228 -15.933 -39.051 1.00 53.23 H new ATOM 0 HG1 THR A 66 0.709 -16.476 -36.686 1.00 11.42 H new ATOM 0 HG21 THR A 66 -0.846 -15.320 -37.865 1.00 2.54 H new ATOM 0 HG22 THR A 66 -1.173 -15.844 -39.534 1.00 2.54 H new ATOM 0 HG23 THR A 66 -1.499 -16.946 -38.176 1.00 2.54 H new ATOM 1054 N PHE A 67 3.026 -17.985 -40.006 1.00 31.33 N ATOM 1055 CA PHE A 67 4.252 -17.866 -40.788 1.00 51.22 C ATOM 1056 C PHE A 67 4.324 -18.954 -41.856 1.00 2.20 C ATOM 1057 O PHE A 67 4.837 -18.729 -42.952 1.00 62.22 O ATOM 1058 CB PHE A 67 5.475 -17.953 -39.872 1.00 14.00 C ATOM 1059 CG PHE A 67 6.773 -17.676 -40.577 1.00 64.31 C ATOM 1060 CD1 PHE A 67 7.415 -18.674 -41.291 1.00 12.13 C ATOM 1061 CD2 PHE A 67 7.348 -16.416 -40.526 1.00 15.52 C ATOM 1062 CE1 PHE A 67 8.610 -18.421 -41.939 1.00 72.43 C ATOM 1063 CE2 PHE A 67 8.542 -16.158 -41.174 1.00 33.54 C ATOM 1064 CZ PHE A 67 9.173 -17.161 -41.882 1.00 75.02 C ATOM 0 H PHE A 67 3.171 -18.251 -39.032 1.00 31.33 H new ATOM 0 HA PHE A 67 4.245 -16.895 -41.284 1.00 51.22 H new ATOM 0 HB2 PHE A 67 5.357 -17.243 -39.053 1.00 14.00 H new ATOM 0 HB3 PHE A 67 5.517 -18.948 -39.428 1.00 14.00 H new ATOM 0 HD1 PHE A 67 6.978 -19.660 -41.342 1.00 12.13 H new ATOM 0 HD2 PHE A 67 6.858 -15.627 -39.974 1.00 15.52 H new ATOM 0 HE1 PHE A 67 9.103 -19.208 -42.490 1.00 72.43 H new ATOM 0 HE2 PHE A 67 8.981 -15.172 -41.126 1.00 33.54 H new ATOM 0 HZ PHE A 67 10.105 -16.961 -42.390 1.00 75.02 H new ATOM 1074 N ARG A 68 3.808 -20.133 -41.526 1.00 35.20 N ATOM 1075 CA ARG A 68 3.815 -21.256 -42.455 1.00 13.24 C ATOM 1076 C ARG A 68 2.767 -21.065 -43.548 1.00 42.44 C ATOM 1077 O ARG A 68 2.702 -21.839 -44.503 1.00 51.04 O ATOM 1078 CB ARG A 68 3.554 -22.566 -41.708 1.00 65.20 C ATOM 1079 CG ARG A 68 4.820 -23.251 -41.220 1.00 50.00 C ATOM 1080 CD ARG A 68 4.623 -24.753 -41.083 1.00 44.21 C ATOM 1081 NE ARG A 68 4.327 -25.386 -42.366 1.00 1.04 N ATOM 1082 CZ ARG A 68 5.223 -25.536 -43.335 1.00 43.45 C ATOM 1083 NH1 ARG A 68 6.465 -25.104 -43.167 1.00 73.52 N ATOM 1084 NH2 ARG A 68 4.878 -26.122 -44.475 1.00 33.20 N ATOM 0 H ARG A 68 3.380 -20.335 -40.623 1.00 35.20 H new ATOM 0 HA ARG A 68 4.799 -21.301 -42.922 1.00 13.24 H new ATOM 0 HB2 ARG A 68 2.907 -22.365 -40.854 1.00 65.20 H new ATOM 0 HB3 ARG A 68 3.012 -23.247 -42.364 1.00 65.20 H new ATOM 0 HG2 ARG A 68 5.634 -23.052 -41.916 1.00 50.00 H new ATOM 0 HG3 ARG A 68 5.114 -22.832 -40.258 1.00 50.00 H new ATOM 0 HD2 ARG A 68 5.522 -25.199 -40.658 1.00 44.21 H new ATOM 0 HD3 ARG A 68 3.809 -24.950 -40.385 1.00 44.21 H new ATOM 0 HE ARG A 68 3.381 -25.732 -42.526 1.00 1.04 H new ATOM 0 HH11 ARG A 68 6.735 -24.655 -42.292 1.00 73.52 H new ATOM 0 HH12 ARG A 68 7.151 -25.221 -43.913 1.00 73.52 H new ATOM 0 HH21 ARG A 68 3.924 -26.458 -44.608 1.00 33.20 H new ATOM 0 HH22 ARG A 68 5.567 -26.237 -45.218 1.00 33.20 H new ATOM 1098 N LYS A 69 1.948 -20.029 -43.400 1.00 73.43 N ATOM 1099 CA LYS A 69 0.904 -19.734 -44.373 1.00 73.42 C ATOM 1100 C LYS A 69 1.504 -19.458 -45.749 1.00 41.12 C ATOM 1101 O LYS A 69 1.003 -19.942 -46.764 1.00 52.53 O ATOM 1102 CB LYS A 69 0.076 -18.531 -43.916 1.00 31.13 C ATOM 1103 CG LYS A 69 -1.212 -18.346 -44.698 1.00 71.24 C ATOM 1104 CD LYS A 69 -2.132 -19.547 -44.551 1.00 50.32 C ATOM 1105 CE LYS A 69 -3.487 -19.292 -45.194 1.00 72.15 C ATOM 1106 NZ LYS A 69 -4.472 -20.353 -44.846 1.00 71.33 N ATOM 0 H LYS A 69 1.988 -19.379 -42.615 1.00 73.43 H new ATOM 0 HA LYS A 69 0.255 -20.607 -44.447 1.00 73.42 H new ATOM 0 HB2 LYS A 69 -0.164 -18.646 -42.859 1.00 31.13 H new ATOM 0 HB3 LYS A 69 0.680 -17.629 -44.009 1.00 31.13 H new ATOM 0 HG2 LYS A 69 -1.724 -17.449 -44.350 1.00 71.24 H new ATOM 0 HG3 LYS A 69 -0.980 -18.191 -45.752 1.00 71.24 H new ATOM 0 HD2 LYS A 69 -1.669 -20.420 -45.010 1.00 50.32 H new ATOM 0 HD3 LYS A 69 -2.267 -19.776 -43.494 1.00 50.32 H new ATOM 0 HE2 LYS A 69 -3.867 -18.323 -44.870 1.00 72.15 H new ATOM 0 HE3 LYS A 69 -3.372 -19.243 -46.277 1.00 72.15 H new ATOM 0 HZ1 LYS A 69 -5.383 -20.144 -45.303 1.00 71.33 H new ATOM 0 HZ2 LYS A 69 -4.122 -21.274 -45.178 1.00 71.33 H new ATOM 0 HZ3 LYS A 69 -4.601 -20.382 -43.814 1.00 71.33 H new ATOM 1120 N LEU A 70 2.580 -18.679 -45.774 1.00 1.50 N ATOM 1121 CA LEU A 70 3.249 -18.339 -47.025 1.00 30.25 C ATOM 1122 C LEU A 70 4.286 -19.396 -47.391 1.00 52.51 C ATOM 1123 O LEU A 70 4.843 -20.078 -46.532 1.00 53.44 O ATOM 1124 CB LEU A 70 3.918 -16.968 -46.912 1.00 30.13 C ATOM 1125 CG LEU A 70 3.020 -15.818 -46.454 1.00 75.04 C ATOM 1126 CD1 LEU A 70 2.947 -15.771 -44.936 1.00 23.34 C ATOM 1127 CD2 LEU A 70 3.526 -14.494 -47.007 1.00 52.00 C ATOM 0 H LEU A 70 3.008 -18.271 -44.943 1.00 1.50 H new ATOM 0 HA LEU A 70 2.498 -18.305 -47.814 1.00 30.25 H new ATOM 0 HB2 LEU A 70 4.753 -17.050 -46.216 1.00 30.13 H new ATOM 0 HB3 LEU A 70 4.338 -16.710 -47.884 1.00 30.13 H new ATOM 0 HG LEU A 70 2.015 -15.990 -46.841 1.00 75.04 H new ATOM 0 HD11 LEU A 70 2.304 -14.947 -44.628 1.00 23.34 H new ATOM 0 HD12 LEU A 70 2.538 -16.710 -44.562 1.00 23.34 H new ATOM 0 HD13 LEU A 70 3.947 -15.623 -44.528 1.00 23.34 H new ATOM 0 HD21 LEU A 70 2.875 -13.687 -46.671 1.00 52.00 H new ATOM 0 HD22 LEU A 70 4.540 -14.315 -46.650 1.00 52.00 H new ATOM 0 HD23 LEU A 70 3.526 -14.531 -48.096 1.00 52.00 H new ATOM 1139 N PRO A 71 4.554 -19.534 -48.699 1.00 40.12 N ATOM 1140 CA PRO A 71 5.529 -20.502 -49.209 1.00 21.41 C ATOM 1141 C PRO A 71 6.962 -20.125 -48.854 1.00 4.43 C ATOM 1142 O PRO A 71 7.203 -19.113 -48.195 1.00 61.04 O ATOM 1143 CB PRO A 71 5.321 -20.450 -50.724 1.00 10.33 C ATOM 1144 CG PRO A 71 4.761 -19.094 -50.983 1.00 64.15 C ATOM 1145 CD PRO A 71 3.928 -18.753 -49.778 1.00 72.42 C ATOM 0 HA PRO A 71 5.383 -21.493 -48.779 1.00 21.41 H new ATOM 0 HB2 PRO A 71 6.260 -20.599 -51.258 1.00 10.33 H new ATOM 0 HB3 PRO A 71 4.637 -21.231 -51.057 1.00 10.33 H new ATOM 0 HG2 PRO A 71 5.557 -18.364 -51.126 1.00 64.15 H new ATOM 0 HG3 PRO A 71 4.156 -19.088 -51.890 1.00 64.15 H new ATOM 0 HD2 PRO A 71 3.949 -17.684 -49.565 1.00 72.42 H new ATOM 0 HD3 PRO A 71 2.883 -19.030 -49.920 1.00 72.42 H new ATOM 1153 N GLU A 72 7.911 -20.944 -49.295 1.00 64.42 N ATOM 1154 CA GLU A 72 9.322 -20.695 -49.023 1.00 2.33 C ATOM 1155 C GLU A 72 9.831 -19.505 -49.831 1.00 32.21 C ATOM 1156 O GLU A 72 10.640 -18.713 -49.347 1.00 64.11 O ATOM 1157 CB GLU A 72 10.155 -21.937 -49.346 1.00 3.30 C ATOM 1158 CG GLU A 72 9.987 -22.427 -50.775 1.00 14.02 C ATOM 1159 CD GLU A 72 10.034 -23.939 -50.883 1.00 23.34 C ATOM 1160 OE1 GLU A 72 9.133 -24.602 -50.326 1.00 4.25 O ATOM 1161 OE2 GLU A 72 10.971 -24.459 -51.524 1.00 2.14 O ATOM 0 H GLU A 72 7.729 -21.785 -49.842 1.00 64.42 H new ATOM 0 HA GLU A 72 9.424 -20.463 -47.963 1.00 2.33 H new ATOM 0 HB2 GLU A 72 11.207 -21.715 -49.168 1.00 3.30 H new ATOM 0 HB3 GLU A 72 9.878 -22.738 -48.661 1.00 3.30 H new ATOM 0 HG2 GLU A 72 9.036 -22.068 -51.169 1.00 14.02 H new ATOM 0 HG3 GLU A 72 10.772 -21.998 -51.397 1.00 14.02 H new ATOM 1168 N ASP A 73 9.348 -19.385 -51.063 1.00 54.44 N ATOM 1169 CA ASP A 73 9.753 -18.291 -51.939 1.00 22.54 C ATOM 1170 C ASP A 73 9.330 -16.945 -51.358 1.00 73.43 C ATOM 1171 O ASP A 73 10.142 -16.028 -51.232 1.00 20.35 O ATOM 1172 CB ASP A 73 9.146 -18.473 -53.331 1.00 11.40 C ATOM 1173 CG ASP A 73 9.879 -19.516 -54.150 1.00 35.22 C ATOM 1174 OD1 ASP A 73 9.556 -20.714 -54.011 1.00 64.21 O ATOM 1175 OD2 ASP A 73 10.777 -19.136 -54.930 1.00 60.34 O ATOM 0 H ASP A 73 8.676 -20.031 -51.477 1.00 54.44 H new ATOM 0 HA ASP A 73 10.840 -18.306 -52.020 1.00 22.54 H new ATOM 0 HB2 ASP A 73 8.100 -18.762 -53.233 1.00 11.40 H new ATOM 0 HB3 ASP A 73 9.165 -17.520 -53.860 1.00 11.40 H new ATOM 1180 N VAL A 74 8.052 -16.833 -51.006 1.00 22.21 N ATOM 1181 CA VAL A 74 7.521 -15.600 -50.439 1.00 51.24 C ATOM 1182 C VAL A 74 8.156 -15.300 -49.086 1.00 71.30 C ATOM 1183 O VAL A 74 8.463 -14.148 -48.775 1.00 64.14 O ATOM 1184 CB VAL A 74 5.992 -15.672 -50.273 1.00 4.32 C ATOM 1185 CG1 VAL A 74 5.471 -14.423 -49.578 1.00 2.42 C ATOM 1186 CG2 VAL A 74 5.318 -15.861 -51.623 1.00 20.32 C ATOM 0 H VAL A 74 7.366 -17.582 -51.104 1.00 22.21 H new ATOM 0 HA VAL A 74 7.765 -14.799 -51.137 1.00 51.24 H new ATOM 0 HB VAL A 74 5.752 -16.533 -49.649 1.00 4.32 H new ATOM 0 HG11 VAL A 74 4.389 -14.492 -49.469 1.00 2.42 H new ATOM 0 HG12 VAL A 74 5.930 -14.337 -48.593 1.00 2.42 H new ATOM 0 HG13 VAL A 74 5.721 -13.545 -50.173 1.00 2.42 H new ATOM 0 HG21 VAL A 74 4.238 -15.910 -51.487 1.00 20.32 H new ATOM 0 HG22 VAL A 74 5.564 -15.022 -52.273 1.00 20.32 H new ATOM 0 HG23 VAL A 74 5.668 -16.787 -52.078 1.00 20.32 H new ATOM 1196 N ARG A 75 8.349 -16.343 -48.285 1.00 32.22 N ATOM 1197 CA ARG A 75 8.946 -16.190 -46.963 1.00 2.22 C ATOM 1198 C ARG A 75 10.435 -15.877 -47.074 1.00 43.01 C ATOM 1199 O ARG A 75 11.030 -15.312 -46.155 1.00 52.32 O ATOM 1200 CB ARG A 75 8.741 -17.462 -46.139 1.00 70.20 C ATOM 1201 CG ARG A 75 7.306 -17.670 -45.687 1.00 33.21 C ATOM 1202 CD ARG A 75 6.922 -16.694 -44.586 1.00 64.25 C ATOM 1203 NE ARG A 75 6.410 -15.436 -45.123 1.00 60.01 N ATOM 1204 CZ ARG A 75 5.966 -14.440 -44.365 1.00 52.41 C ATOM 1205 NH1 ARG A 75 5.971 -14.554 -43.044 1.00 43.22 N ATOM 1206 NH2 ARG A 75 5.517 -13.326 -44.928 1.00 22.23 N ATOM 0 H ARG A 75 8.101 -17.302 -48.528 1.00 32.22 H new ATOM 0 HA ARG A 75 8.453 -15.357 -46.462 1.00 2.22 H new ATOM 0 HB2 ARG A 75 9.055 -18.322 -46.730 1.00 70.20 H new ATOM 0 HB3 ARG A 75 9.387 -17.425 -45.262 1.00 70.20 H new ATOM 0 HG2 ARG A 75 6.634 -17.545 -46.536 1.00 33.21 H new ATOM 0 HG3 ARG A 75 7.181 -18.692 -45.329 1.00 33.21 H new ATOM 0 HD2 ARG A 75 6.166 -17.149 -43.946 1.00 64.25 H new ATOM 0 HD3 ARG A 75 7.791 -16.494 -43.960 1.00 64.25 H new ATOM 0 HE ARG A 75 6.392 -15.316 -46.136 1.00 60.01 H new ATOM 0 HH11 ARG A 75 6.317 -15.408 -42.607 1.00 43.22 H new ATOM 0 HH12 ARG A 75 5.629 -13.787 -42.465 1.00 43.22 H new ATOM 0 HH21 ARG A 75 5.513 -13.234 -45.944 1.00 22.23 H new ATOM 0 HH22 ARG A 75 5.176 -12.562 -44.345 1.00 22.23 H new ATOM 1220 N SER A 76 11.031 -16.247 -48.201 1.00 13.42 N ATOM 1221 CA SER A 76 12.453 -16.009 -48.430 1.00 72.25 C ATOM 1222 C SER A 76 12.686 -14.607 -48.982 1.00 24.11 C ATOM 1223 O SER A 76 13.780 -14.056 -48.865 1.00 72.30 O ATOM 1224 CB SER A 76 13.016 -17.052 -49.397 1.00 52.34 C ATOM 1225 OG SER A 76 14.382 -16.798 -49.681 1.00 11.12 O ATOM 0 H SER A 76 10.552 -16.713 -48.972 1.00 13.42 H new ATOM 0 HA SER A 76 12.970 -16.094 -47.474 1.00 72.25 H new ATOM 0 HB2 SER A 76 12.910 -18.047 -48.966 1.00 52.34 H new ATOM 0 HB3 SER A 76 12.441 -17.043 -50.323 1.00 52.34 H new ATOM 0 HG SER A 76 14.720 -17.479 -50.300 1.00 11.12 H new ATOM 1231 N ASN A 77 11.649 -14.035 -49.585 1.00 61.11 N ATOM 1232 CA ASN A 77 11.742 -12.696 -50.157 1.00 63.22 C ATOM 1233 C ASN A 77 11.238 -11.647 -49.169 1.00 4.51 C ATOM 1234 O ASN A 77 10.824 -10.556 -49.563 1.00 30.21 O ATOM 1235 CB ASN A 77 10.937 -12.618 -51.456 1.00 34.15 C ATOM 1236 CG ASN A 77 11.729 -13.097 -52.657 1.00 2.31 C ATOM 1237 OD1 ASN A 77 12.251 -12.294 -53.430 1.00 62.33 O ATOM 1238 ND2 ASN A 77 11.821 -14.412 -52.818 1.00 63.33 N ATOM 0 H ASN A 77 10.736 -14.477 -49.690 1.00 61.11 H new ATOM 0 HA ASN A 77 12.790 -12.491 -50.374 1.00 63.22 H new ATOM 0 HB2 ASN A 77 10.033 -13.219 -51.357 1.00 34.15 H new ATOM 0 HB3 ASN A 77 10.618 -11.589 -51.621 1.00 34.15 H new ATOM 0 HD21 ASN A 77 12.341 -14.794 -53.608 1.00 63.33 H new ATOM 0 HD22 ASN A 77 11.372 -15.040 -52.152 1.00 63.33 H new ATOM 1245 N VAL A 78 11.278 -11.984 -47.885 1.00 54.35 N ATOM 1246 CA VAL A 78 10.828 -11.072 -46.841 1.00 25.14 C ATOM 1247 C VAL A 78 11.911 -10.055 -46.496 1.00 53.34 C ATOM 1248 O VAL A 78 13.082 -10.404 -46.351 1.00 13.31 O ATOM 1249 CB VAL A 78 10.431 -11.834 -45.562 1.00 24.53 C ATOM 1250 CG1 VAL A 78 9.999 -10.863 -44.474 1.00 61.22 C ATOM 1251 CG2 VAL A 78 9.327 -12.837 -45.863 1.00 61.01 C ATOM 0 H VAL A 78 11.618 -12.883 -47.542 1.00 54.35 H new ATOM 0 HA VAL A 78 9.954 -10.551 -47.231 1.00 25.14 H new ATOM 0 HB VAL A 78 11.301 -12.382 -45.200 1.00 24.53 H new ATOM 0 HG11 VAL A 78 9.722 -11.420 -43.579 1.00 61.22 H new ATOM 0 HG12 VAL A 78 10.822 -10.187 -44.242 1.00 61.22 H new ATOM 0 HG13 VAL A 78 9.142 -10.285 -44.821 1.00 61.22 H new ATOM 0 HG21 VAL A 78 9.058 -13.367 -44.949 1.00 61.01 H new ATOM 0 HG22 VAL A 78 8.453 -12.312 -46.248 1.00 61.01 H new ATOM 0 HG23 VAL A 78 9.678 -13.552 -46.607 1.00 61.01 H new ATOM 1261 N ASP A 79 11.510 -8.795 -46.367 1.00 75.02 N ATOM 1262 CA ASP A 79 12.446 -7.725 -46.038 1.00 32.13 C ATOM 1263 C ASP A 79 11.887 -6.835 -44.932 1.00 22.35 C ATOM 1264 O ASP A 79 10.793 -7.076 -44.422 1.00 11.20 O ATOM 1265 CB ASP A 79 12.752 -6.886 -47.279 1.00 14.11 C ATOM 1266 CG ASP A 79 13.030 -7.739 -48.501 1.00 70.21 C ATOM 1267 OD1 ASP A 79 12.059 -8.190 -49.144 1.00 12.03 O ATOM 1268 OD2 ASP A 79 14.220 -7.956 -48.814 1.00 63.45 O ATOM 0 H ASP A 79 10.544 -8.489 -46.485 1.00 75.02 H new ATOM 0 HA ASP A 79 13.369 -8.181 -45.681 1.00 32.13 H new ATOM 0 HB2 ASP A 79 11.909 -6.226 -47.484 1.00 14.11 H new ATOM 0 HB3 ASP A 79 13.614 -6.250 -47.080 1.00 14.11 H new ATOM 1273 N ALA A 80 12.645 -5.807 -44.567 1.00 44.44 N ATOM 1274 CA ALA A 80 12.225 -4.881 -43.522 1.00 1.03 C ATOM 1275 C ALA A 80 10.953 -4.141 -43.924 1.00 60.14 C ATOM 1276 O ALA A 80 9.935 -4.220 -43.237 1.00 3.35 O ATOM 1277 CB ALA A 80 13.339 -3.891 -43.215 1.00 43.13 C ATOM 0 H ALA A 80 13.553 -5.594 -44.979 1.00 44.44 H new ATOM 0 HA ALA A 80 12.010 -5.459 -42.623 1.00 1.03 H new ATOM 0 HB1 ALA A 80 13.012 -3.206 -42.433 1.00 43.13 H new ATOM 0 HB2 ALA A 80 14.223 -4.431 -42.877 1.00 43.13 H new ATOM 0 HB3 ALA A 80 13.581 -3.326 -44.115 1.00 43.13 H new ATOM 1283 N ALA A 81 11.020 -3.422 -45.039 1.00 21.32 N ATOM 1284 CA ALA A 81 9.873 -2.669 -45.532 1.00 55.31 C ATOM 1285 C ALA A 81 8.633 -3.553 -45.622 1.00 31.04 C ATOM 1286 O ALA A 81 7.608 -3.265 -45.006 1.00 33.41 O ATOM 1287 CB ALA A 81 10.188 -2.058 -46.889 1.00 13.35 C ATOM 0 H ALA A 81 11.856 -3.345 -45.618 1.00 21.32 H new ATOM 0 HA ALA A 81 9.664 -1.867 -44.824 1.00 55.31 H new ATOM 0 HB1 ALA A 81 9.323 -1.499 -47.246 1.00 13.35 H new ATOM 0 HB2 ALA A 81 11.042 -1.387 -46.796 1.00 13.35 H new ATOM 0 HB3 ALA A 81 10.425 -2.851 -47.599 1.00 13.35 H new ATOM 1293 N SER A 82 8.735 -4.631 -46.394 1.00 54.12 N ATOM 1294 CA SER A 82 7.621 -5.554 -46.568 1.00 14.13 C ATOM 1295 C SER A 82 7.101 -6.039 -45.218 1.00 30.51 C ATOM 1296 O SER A 82 5.900 -6.002 -44.953 1.00 1.33 O ATOM 1297 CB SER A 82 8.050 -6.749 -47.422 1.00 73.02 C ATOM 1298 OG SER A 82 9.163 -6.422 -48.234 1.00 11.21 O ATOM 0 H SER A 82 9.578 -4.886 -46.908 1.00 54.12 H new ATOM 0 HA SER A 82 6.817 -5.023 -47.077 1.00 14.13 H new ATOM 0 HB2 SER A 82 8.302 -7.590 -46.776 1.00 73.02 H new ATOM 0 HB3 SER A 82 7.219 -7.068 -48.051 1.00 73.02 H new ATOM 0 HG SER A 82 9.419 -7.203 -48.769 1.00 11.21 H new ATOM 1304 N ALA A 83 8.016 -6.493 -44.368 1.00 34.11 N ATOM 1305 CA ALA A 83 7.652 -6.984 -43.045 1.00 62.10 C ATOM 1306 C ALA A 83 6.784 -5.972 -42.303 1.00 53.55 C ATOM 1307 O ALA A 83 5.784 -6.334 -41.684 1.00 1.10 O ATOM 1308 CB ALA A 83 8.902 -7.302 -42.238 1.00 14.31 C ATOM 0 H ALA A 83 9.015 -6.531 -44.572 1.00 34.11 H new ATOM 0 HA ALA A 83 7.072 -7.898 -43.171 1.00 62.10 H new ATOM 0 HB1 ALA A 83 8.615 -7.668 -41.252 1.00 14.31 H new ATOM 0 HB2 ALA A 83 9.483 -8.066 -42.754 1.00 14.31 H new ATOM 0 HB3 ALA A 83 9.504 -6.400 -42.129 1.00 14.31 H new ATOM 1314 N ARG A 84 7.175 -4.704 -42.370 1.00 14.24 N ATOM 1315 CA ARG A 84 6.435 -3.639 -41.703 1.00 42.23 C ATOM 1316 C ARG A 84 5.038 -3.492 -42.302 1.00 55.53 C ATOM 1317 O ARG A 84 4.043 -3.458 -41.578 1.00 43.13 O ATOM 1318 CB ARG A 84 7.191 -2.315 -41.814 1.00 72.41 C ATOM 1319 CG ARG A 84 8.480 -2.280 -41.009 1.00 43.35 C ATOM 1320 CD ARG A 84 9.146 -0.915 -41.083 1.00 30.14 C ATOM 1321 NE ARG A 84 9.232 -0.422 -42.455 1.00 24.42 N ATOM 1322 CZ ARG A 84 9.567 0.825 -42.768 1.00 23.24 C ATOM 1323 NH1 ARG A 84 9.846 1.700 -41.810 1.00 30.24 N ATOM 1324 NH2 ARG A 84 9.623 1.200 -44.039 1.00 14.35 N ATOM 0 H ARG A 84 8.000 -4.389 -42.880 1.00 14.24 H new ATOM 0 HA ARG A 84 6.336 -3.904 -40.650 1.00 42.23 H new ATOM 0 HB2 ARG A 84 7.422 -2.125 -42.862 1.00 72.41 H new ATOM 0 HB3 ARG A 84 6.541 -1.506 -41.479 1.00 72.41 H new ATOM 0 HG2 ARG A 84 8.267 -2.526 -39.969 1.00 43.35 H new ATOM 0 HG3 ARG A 84 9.165 -3.041 -41.383 1.00 43.35 H new ATOM 0 HD2 ARG A 84 8.584 -0.204 -40.477 1.00 30.14 H new ATOM 0 HD3 ARG A 84 10.147 -0.976 -40.656 1.00 30.14 H new ATOM 0 HE ARG A 84 9.024 -1.070 -43.214 1.00 24.42 H new ATOM 0 HH11 ARG A 84 9.803 1.416 -40.831 1.00 30.24 H new ATOM 0 HH12 ARG A 84 10.103 2.657 -42.052 1.00 30.24 H new ATOM 0 HH21 ARG A 84 9.409 0.531 -44.778 1.00 14.35 H new ATOM 0 HH22 ARG A 84 9.880 2.158 -44.277 1.00 14.35 H new ATOM 1338 N GLU A 85 4.974 -3.404 -43.626 1.00 51.11 N ATOM 1339 CA GLU A 85 3.700 -3.259 -44.321 1.00 55.12 C ATOM 1340 C GLU A 85 2.763 -4.414 -43.986 1.00 1.33 C ATOM 1341 O GLU A 85 1.603 -4.204 -43.627 1.00 32.23 O ATOM 1342 CB GLU A 85 3.924 -3.190 -45.833 1.00 75.34 C ATOM 1343 CG GLU A 85 4.953 -2.153 -46.251 1.00 45.21 C ATOM 1344 CD GLU A 85 4.551 -1.406 -47.507 1.00 21.03 C ATOM 1345 OE1 GLU A 85 3.657 -0.537 -47.421 1.00 3.32 O ATOM 1346 OE2 GLU A 85 5.131 -1.688 -48.577 1.00 42.31 O ATOM 0 H GLU A 85 5.789 -3.430 -44.239 1.00 51.11 H new ATOM 0 HA GLU A 85 3.237 -2.331 -43.987 1.00 55.12 H new ATOM 0 HB2 GLU A 85 4.243 -4.170 -46.189 1.00 75.34 H new ATOM 0 HB3 GLU A 85 2.976 -2.966 -46.322 1.00 75.34 H new ATOM 0 HG2 GLU A 85 5.096 -1.440 -45.439 1.00 45.21 H new ATOM 0 HG3 GLU A 85 5.912 -2.644 -46.416 1.00 45.21 H new ATOM 1353 N LEU A 86 3.273 -5.636 -44.105 1.00 22.40 N ATOM 1354 CA LEU A 86 2.482 -6.827 -43.816 1.00 21.33 C ATOM 1355 C LEU A 86 1.944 -6.789 -42.389 1.00 20.32 C ATOM 1356 O LEU A 86 0.741 -6.925 -42.165 1.00 2.34 O ATOM 1357 CB LEU A 86 3.326 -8.086 -44.021 1.00 74.11 C ATOM 1358 CG LEU A 86 3.803 -8.347 -45.451 1.00 10.31 C ATOM 1359 CD1 LEU A 86 5.092 -9.154 -45.443 1.00 65.15 C ATOM 1360 CD2 LEU A 86 2.726 -9.066 -46.249 1.00 0.22 C ATOM 0 H LEU A 86 4.231 -5.827 -44.400 1.00 22.40 H new ATOM 0 HA LEU A 86 1.637 -6.848 -44.504 1.00 21.33 H new ATOM 0 HB2 LEU A 86 4.200 -8.023 -43.373 1.00 74.11 H new ATOM 0 HB3 LEU A 86 2.745 -8.947 -43.690 1.00 74.11 H new ATOM 0 HG LEU A 86 4.001 -7.388 -45.929 1.00 10.31 H new ATOM 0 HD11 LEU A 86 5.417 -9.331 -46.468 1.00 65.15 H new ATOM 0 HD12 LEU A 86 5.864 -8.601 -44.908 1.00 65.15 H new ATOM 0 HD13 LEU A 86 4.920 -10.109 -44.947 1.00 65.15 H new ATOM 0 HD21 LEU A 86 3.082 -9.243 -47.264 1.00 0.22 H new ATOM 0 HD22 LEU A 86 2.496 -10.019 -45.773 1.00 0.22 H new ATOM 0 HD23 LEU A 86 1.827 -8.451 -46.283 1.00 0.22 H new ATOM 1372 N MET A 87 2.842 -6.601 -41.428 1.00 55.22 N ATOM 1373 CA MET A 87 2.456 -6.541 -40.023 1.00 3.41 C ATOM 1374 C MET A 87 1.433 -5.435 -39.786 1.00 3.31 C ATOM 1375 O MET A 87 0.563 -5.556 -38.923 1.00 33.02 O ATOM 1376 CB MET A 87 3.687 -6.312 -39.143 1.00 13.51 C ATOM 1377 CG MET A 87 4.271 -7.593 -38.569 1.00 72.40 C ATOM 1378 SD MET A 87 4.944 -8.680 -39.840 1.00 23.01 S ATOM 1379 CE MET A 87 3.472 -9.571 -40.336 1.00 34.44 C ATOM 0 H MET A 87 3.842 -6.488 -41.596 1.00 55.22 H new ATOM 0 HA MET A 87 2.000 -7.495 -39.756 1.00 3.41 H new ATOM 0 HB2 MET A 87 4.453 -5.804 -39.729 1.00 13.51 H new ATOM 0 HB3 MET A 87 3.419 -5.646 -38.323 1.00 13.51 H new ATOM 0 HG2 MET A 87 5.058 -7.342 -37.857 1.00 72.40 H new ATOM 0 HG3 MET A 87 3.497 -8.124 -38.015 1.00 72.40 H new ATOM 0 HE1 MET A 87 3.704 -10.632 -40.433 1.00 34.44 H new ATOM 0 HE2 MET A 87 2.695 -9.437 -39.584 1.00 34.44 H new ATOM 0 HE3 MET A 87 3.120 -9.188 -41.294 1.00 34.44 H new ATOM 1389 N LEU A 88 1.544 -4.358 -40.555 1.00 0.04 N ATOM 1390 CA LEU A 88 0.629 -3.229 -40.429 1.00 32.32 C ATOM 1391 C LEU A 88 -0.788 -3.630 -40.826 1.00 31.41 C ATOM 1392 O LEU A 88 -1.727 -3.484 -40.044 1.00 51.04 O ATOM 1393 CB LEU A 88 1.104 -2.063 -41.298 1.00 71.42 C ATOM 1394 CG LEU A 88 0.766 -0.663 -40.784 1.00 15.31 C ATOM 1395 CD1 LEU A 88 1.168 0.391 -41.804 1.00 0.02 C ATOM 1396 CD2 LEU A 88 -0.717 -0.556 -40.460 1.00 33.15 C ATOM 0 H LEU A 88 2.259 -4.242 -41.273 1.00 0.04 H new ATOM 0 HA LEU A 88 0.619 -2.915 -39.385 1.00 32.32 H new ATOM 0 HB2 LEU A 88 2.186 -2.136 -41.410 1.00 71.42 H new ATOM 0 HB3 LEU A 88 0.672 -2.177 -42.292 1.00 71.42 H new ATOM 0 HG LEU A 88 1.330 -0.487 -39.868 1.00 15.31 H new ATOM 0 HD11 LEU A 88 0.920 1.381 -41.421 1.00 0.02 H new ATOM 0 HD12 LEU A 88 2.241 0.331 -41.986 1.00 0.02 H new ATOM 0 HD13 LEU A 88 0.632 0.218 -42.737 1.00 0.02 H new ATOM 0 HD21 LEU A 88 -0.938 0.447 -40.096 1.00 33.15 H new ATOM 0 HD22 LEU A 88 -1.301 -0.753 -41.359 1.00 33.15 H new ATOM 0 HD23 LEU A 88 -0.975 -1.286 -39.693 1.00 33.15 H new ATOM 1408 N ALA A 89 -0.934 -4.138 -42.046 1.00 5.24 N ATOM 1409 CA ALA A 89 -2.236 -4.565 -42.545 1.00 72.31 C ATOM 1410 C ALA A 89 -2.772 -5.744 -41.741 1.00 53.31 C ATOM 1411 O ALA A 89 -3.926 -5.742 -41.314 1.00 61.11 O ATOM 1412 CB ALA A 89 -2.142 -4.926 -44.020 1.00 53.34 C ATOM 0 H ALA A 89 -0.167 -4.264 -42.707 1.00 5.24 H new ATOM 0 HA ALA A 89 -2.933 -3.735 -42.430 1.00 72.31 H new ATOM 0 HB1 ALA A 89 -3.121 -5.243 -44.380 1.00 53.34 H new ATOM 0 HB2 ALA A 89 -1.811 -4.056 -44.587 1.00 53.34 H new ATOM 0 HB3 ALA A 89 -1.427 -5.738 -44.151 1.00 53.34 H new ATOM 1418 N GLN A 90 -1.927 -6.751 -41.540 1.00 12.11 N ATOM 1419 CA GLN A 90 -2.318 -7.937 -40.789 1.00 12.45 C ATOM 1420 C GLN A 90 -1.445 -8.110 -39.551 1.00 41.24 C ATOM 1421 O GLN A 90 -0.514 -8.917 -39.525 1.00 10.03 O ATOM 1422 CB GLN A 90 -2.222 -9.182 -41.674 1.00 3.41 C ATOM 1423 CG GLN A 90 -0.918 -9.276 -42.450 1.00 23.53 C ATOM 1424 CD GLN A 90 -0.874 -10.480 -43.371 1.00 74.41 C ATOM 1425 OE1 GLN A 90 -0.479 -10.374 -44.532 1.00 50.25 O ATOM 1426 NE2 GLN A 90 -1.281 -11.635 -42.855 1.00 33.14 N ATOM 0 H GLN A 90 -0.968 -6.768 -41.887 1.00 12.11 H new ATOM 0 HA GLN A 90 -3.351 -7.808 -40.467 1.00 12.45 H new ATOM 0 HB2 GLN A 90 -2.330 -10.070 -41.051 1.00 3.41 H new ATOM 0 HB3 GLN A 90 -3.055 -9.183 -42.377 1.00 3.41 H new ATOM 0 HG2 GLN A 90 -0.783 -8.368 -43.038 1.00 23.53 H new ATOM 0 HG3 GLN A 90 -0.085 -9.329 -41.749 1.00 23.53 H new ATOM 0 HE21 GLN A 90 -1.601 -11.677 -41.887 1.00 33.14 H new ATOM 0 HE22 GLN A 90 -1.274 -12.480 -43.427 1.00 33.14 H new ATOM 1435 N PRO A 91 -1.749 -7.336 -38.498 1.00 51.14 N ATOM 1436 CA PRO A 91 -1.003 -7.386 -37.238 1.00 32.24 C ATOM 1437 C PRO A 91 -1.240 -8.684 -36.475 1.00 54.10 C ATOM 1438 O PRO A 91 -0.589 -8.951 -35.464 1.00 35.34 O ATOM 1439 CB PRO A 91 -1.557 -6.195 -36.451 1.00 71.34 C ATOM 1440 CG PRO A 91 -2.923 -5.977 -37.004 1.00 71.22 C ATOM 1441 CD PRO A 91 -2.845 -6.354 -38.459 1.00 34.13 C ATOM 0 HA PRO A 91 0.074 -7.344 -37.400 1.00 32.24 H new ATOM 0 HB2 PRO A 91 -1.592 -6.408 -35.383 1.00 71.34 H new ATOM 0 HB3 PRO A 91 -0.932 -5.311 -36.579 1.00 71.34 H new ATOM 0 HG2 PRO A 91 -3.658 -6.589 -36.481 1.00 71.22 H new ATOM 0 HG3 PRO A 91 -3.231 -4.938 -36.886 1.00 71.22 H new ATOM 0 HD2 PRO A 91 -3.782 -6.783 -38.814 1.00 34.13 H new ATOM 0 HD3 PRO A 91 -2.632 -5.489 -39.087 1.00 34.13 H new ATOM 1449 N SER A 92 -2.176 -9.491 -36.964 1.00 20.51 N ATOM 1450 CA SER A 92 -2.501 -10.762 -36.326 1.00 11.34 C ATOM 1451 C SER A 92 -1.271 -11.660 -36.249 1.00 43.02 C ATOM 1452 O SER A 92 -1.216 -12.587 -35.440 1.00 60.53 O ATOM 1453 CB SER A 92 -3.617 -11.472 -37.095 1.00 1.20 C ATOM 1454 OG SER A 92 -3.852 -12.767 -36.572 1.00 33.02 O ATOM 0 H SER A 92 -2.723 -9.287 -37.800 1.00 20.51 H new ATOM 0 HA SER A 92 -2.843 -10.555 -35.312 1.00 11.34 H new ATOM 0 HB2 SER A 92 -4.532 -10.883 -37.040 1.00 1.20 H new ATOM 0 HB3 SER A 92 -3.347 -11.545 -38.149 1.00 1.20 H new ATOM 0 HG SER A 92 -4.570 -13.199 -37.079 1.00 33.02 H new ATOM 1460 N MET A 93 -0.286 -11.380 -37.096 1.00 64.00 N ATOM 1461 CA MET A 93 0.944 -12.162 -37.123 1.00 11.03 C ATOM 1462 C MET A 93 1.892 -11.723 -36.011 1.00 22.03 C ATOM 1463 O MET A 93 2.805 -12.458 -35.634 1.00 62.52 O ATOM 1464 CB MET A 93 1.634 -12.022 -38.481 1.00 21.24 C ATOM 1465 CG MET A 93 1.234 -13.096 -39.479 1.00 71.33 C ATOM 1466 SD MET A 93 1.359 -12.537 -41.189 1.00 63.23 S ATOM 1467 CE MET A 93 2.828 -13.411 -41.724 1.00 50.03 C ATOM 0 H MET A 93 -0.316 -10.617 -37.773 1.00 64.00 H new ATOM 0 HA MET A 93 0.683 -13.208 -36.963 1.00 11.03 H new ATOM 0 HB2 MET A 93 1.399 -11.043 -38.899 1.00 21.24 H new ATOM 0 HB3 MET A 93 2.714 -12.056 -38.336 1.00 21.24 H new ATOM 0 HG2 MET A 93 1.869 -13.971 -39.340 1.00 71.33 H new ATOM 0 HG3 MET A 93 0.210 -13.410 -39.278 1.00 71.33 H new ATOM 0 HE1 MET A 93 3.037 -13.168 -42.766 1.00 50.03 H new ATOM 0 HE2 MET A 93 3.674 -13.113 -41.105 1.00 50.03 H new ATOM 0 HE3 MET A 93 2.668 -14.485 -41.627 1.00 50.03 H new ATOM 1477 N VAL A 94 1.669 -10.521 -35.490 1.00 52.44 N ATOM 1478 CA VAL A 94 2.503 -9.984 -34.421 1.00 10.35 C ATOM 1479 C VAL A 94 2.507 -10.910 -33.210 1.00 43.41 C ATOM 1480 O VAL A 94 1.504 -11.555 -32.905 1.00 40.44 O ATOM 1481 CB VAL A 94 2.025 -8.586 -33.984 1.00 33.42 C ATOM 1482 CG1 VAL A 94 2.919 -8.036 -32.883 1.00 75.05 C ATOM 1483 CG2 VAL A 94 1.987 -7.640 -35.174 1.00 35.21 C ATOM 0 H VAL A 94 0.918 -9.900 -35.791 1.00 52.44 H new ATOM 0 HA VAL A 94 3.515 -9.905 -34.818 1.00 10.35 H new ATOM 0 HB VAL A 94 1.014 -8.674 -33.587 1.00 33.42 H new ATOM 0 HG11 VAL A 94 2.566 -7.048 -32.587 1.00 75.05 H new ATOM 0 HG12 VAL A 94 2.890 -8.704 -32.023 1.00 75.05 H new ATOM 0 HG13 VAL A 94 3.943 -7.961 -33.249 1.00 75.05 H new ATOM 0 HG21 VAL A 94 1.647 -6.657 -34.847 1.00 35.21 H new ATOM 0 HG22 VAL A 94 2.985 -7.554 -35.603 1.00 35.21 H new ATOM 0 HG23 VAL A 94 1.301 -8.029 -35.926 1.00 35.21 H new ATOM 1493 N LYS A 95 3.642 -10.970 -32.522 1.00 21.24 N ATOM 1494 CA LYS A 95 3.778 -11.817 -31.342 1.00 1.24 C ATOM 1495 C LYS A 95 2.900 -11.307 -30.204 1.00 13.35 C ATOM 1496 O LYS A 95 2.361 -10.202 -30.270 1.00 52.22 O ATOM 1497 CB LYS A 95 5.239 -11.865 -30.890 1.00 62.41 C ATOM 1498 CG LYS A 95 5.641 -13.194 -30.272 1.00 12.43 C ATOM 1499 CD LYS A 95 6.984 -13.670 -30.798 1.00 23.31 C ATOM 1500 CE LYS A 95 8.108 -12.729 -30.390 1.00 33.13 C ATOM 1501 NZ LYS A 95 9.305 -13.471 -29.905 1.00 64.41 N ATOM 0 H LYS A 95 4.481 -10.442 -32.761 1.00 21.24 H new ATOM 0 HA LYS A 95 3.452 -12.823 -31.607 1.00 1.24 H new ATOM 0 HB2 LYS A 95 5.882 -11.663 -31.746 1.00 62.41 H new ATOM 0 HB3 LYS A 95 5.413 -11.069 -30.165 1.00 62.41 H new ATOM 0 HG2 LYS A 95 5.689 -13.092 -29.188 1.00 12.43 H new ATOM 0 HG3 LYS A 95 4.879 -13.942 -30.488 1.00 12.43 H new ATOM 0 HD2 LYS A 95 7.190 -14.671 -30.419 1.00 23.31 H new ATOM 0 HD3 LYS A 95 6.945 -13.743 -31.885 1.00 23.31 H new ATOM 0 HE2 LYS A 95 8.387 -12.106 -31.240 1.00 33.13 H new ATOM 0 HE3 LYS A 95 7.754 -12.059 -29.606 1.00 33.13 H new ATOM 0 HZ1 LYS A 95 10.035 -12.794 -29.605 1.00 64.41 H new ATOM 0 HZ2 LYS A 95 9.038 -14.072 -29.099 1.00 64.41 H new ATOM 0 HZ3 LYS A 95 9.679 -14.066 -30.672 1.00 64.41 H new ATOM 1515 N ARG A 96 2.759 -12.120 -29.161 1.00 23.43 N ATOM 1516 CA ARG A 96 1.945 -11.751 -28.010 1.00 52.42 C ATOM 1517 C ARG A 96 2.056 -12.801 -26.908 1.00 73.24 C ATOM 1518 O ARG A 96 2.428 -13.950 -27.147 1.00 25.00 O ATOM 1519 CB ARG A 96 0.483 -11.582 -28.424 1.00 2.41 C ATOM 1520 CG ARG A 96 0.042 -12.549 -29.511 1.00 32.35 C ATOM 1521 CD ARG A 96 -1.411 -12.327 -29.898 1.00 1.31 C ATOM 1522 NE ARG A 96 -1.557 -11.279 -30.905 1.00 4.33 N ATOM 1523 CZ ARG A 96 -1.372 -11.478 -32.205 1.00 22.53 C ATOM 1524 NH1 ARG A 96 -1.039 -12.681 -32.653 1.00 21.10 N ATOM 1525 NH2 ARG A 96 -1.522 -10.475 -33.060 1.00 31.42 N ATOM 0 H ARG A 96 3.198 -13.038 -29.090 1.00 23.43 H new ATOM 0 HA ARG A 96 2.316 -10.802 -27.623 1.00 52.42 H new ATOM 0 HB2 ARG A 96 -0.152 -11.719 -27.549 1.00 2.41 H new ATOM 0 HB3 ARG A 96 0.329 -10.561 -28.773 1.00 2.41 H new ATOM 0 HG2 ARG A 96 0.676 -12.425 -30.389 1.00 32.35 H new ATOM 0 HG3 ARG A 96 0.175 -13.574 -29.164 1.00 32.35 H new ATOM 0 HD2 ARG A 96 -1.830 -13.258 -30.280 1.00 1.31 H new ATOM 0 HD3 ARG A 96 -1.985 -12.060 -29.011 1.00 1.31 H new ATOM 0 HE ARG A 96 -1.815 -10.343 -30.593 1.00 4.33 H new ATOM 0 HH11 ARG A 96 -0.925 -13.455 -31.999 1.00 21.10 H new ATOM 0 HH12 ARG A 96 -0.897 -12.832 -33.652 1.00 21.10 H new ATOM 0 HH21 ARG A 96 -1.780 -9.549 -32.719 1.00 31.42 H new ATOM 0 HH22 ARG A 96 -1.379 -10.630 -34.058 1.00 31.42 H new ATOM 1539 N PRO A 97 1.723 -12.400 -25.673 1.00 5.45 N ATOM 1540 CA PRO A 97 1.278 -11.036 -25.376 1.00 55.21 C ATOM 1541 C PRO A 97 2.404 -10.016 -25.510 1.00 1.12 C ATOM 1542 O PRO A 97 3.577 -10.345 -25.328 1.00 11.34 O ATOM 1543 CB PRO A 97 0.807 -11.124 -23.922 1.00 63.23 C ATOM 1544 CG PRO A 97 1.570 -12.266 -23.345 1.00 53.40 C ATOM 1545 CD PRO A 97 1.757 -13.248 -24.469 1.00 14.11 C ATOM 0 HA PRO A 97 0.506 -10.700 -26.069 1.00 55.21 H new ATOM 0 HB2 PRO A 97 1.011 -10.199 -23.383 1.00 63.23 H new ATOM 0 HB3 PRO A 97 -0.268 -11.296 -23.864 1.00 63.23 H new ATOM 0 HG2 PRO A 97 2.531 -11.935 -22.952 1.00 53.40 H new ATOM 0 HG3 PRO A 97 1.026 -12.720 -22.516 1.00 53.40 H new ATOM 0 HD2 PRO A 97 2.702 -13.784 -24.381 1.00 14.11 H new ATOM 0 HD3 PRO A 97 0.966 -13.998 -24.483 1.00 14.11 H new ATOM 1553 N VAL A 98 2.042 -8.778 -25.829 1.00 75.11 N ATOM 1554 CA VAL A 98 3.021 -7.710 -25.985 1.00 22.51 C ATOM 1555 C VAL A 98 2.863 -6.655 -24.897 1.00 20.24 C ATOM 1556 O VAL A 98 1.760 -6.167 -24.645 1.00 74.34 O ATOM 1557 CB VAL A 98 2.899 -7.033 -27.363 1.00 62.21 C ATOM 1558 CG1 VAL A 98 3.893 -5.889 -27.487 1.00 65.22 C ATOM 1559 CG2 VAL A 98 3.102 -8.050 -28.475 1.00 73.13 C ATOM 0 H VAL A 98 1.076 -8.490 -25.985 1.00 75.11 H new ATOM 0 HA VAL A 98 4.006 -8.170 -25.900 1.00 22.51 H new ATOM 0 HB VAL A 98 1.895 -6.620 -27.458 1.00 62.21 H new ATOM 0 HG11 VAL A 98 3.791 -5.423 -28.467 1.00 65.22 H new ATOM 0 HG12 VAL A 98 3.695 -5.149 -26.712 1.00 65.22 H new ATOM 0 HG13 VAL A 98 4.906 -6.273 -27.371 1.00 65.22 H new ATOM 0 HG21 VAL A 98 3.012 -7.555 -29.442 1.00 73.13 H new ATOM 0 HG22 VAL A 98 4.093 -8.494 -28.385 1.00 73.13 H new ATOM 0 HG23 VAL A 98 2.346 -8.831 -28.396 1.00 73.13 H new ATOM 1569 N LEU A 99 3.971 -6.304 -24.254 1.00 44.10 N ATOM 1570 CA LEU A 99 3.957 -5.305 -23.192 1.00 22.24 C ATOM 1571 C LEU A 99 4.613 -4.008 -23.655 1.00 30.44 C ATOM 1572 O LEU A 99 5.724 -4.018 -24.182 1.00 63.23 O ATOM 1573 CB LEU A 99 4.677 -5.839 -21.952 1.00 31.22 C ATOM 1574 CG LEU A 99 3.834 -5.945 -20.681 1.00 2.12 C ATOM 1575 CD1 LEU A 99 3.001 -7.217 -20.697 1.00 64.20 C ATOM 1576 CD2 LEU A 99 4.723 -5.903 -19.447 1.00 2.44 C ATOM 0 H LEU A 99 4.892 -6.697 -24.450 1.00 44.10 H new ATOM 0 HA LEU A 99 2.918 -5.095 -22.939 1.00 22.24 H new ATOM 0 HB2 LEU A 99 5.074 -6.827 -22.184 1.00 31.22 H new ATOM 0 HB3 LEU A 99 5.530 -5.193 -21.745 1.00 31.22 H new ATOM 0 HG LEU A 99 3.156 -5.092 -20.645 1.00 2.12 H new ATOM 0 HD11 LEU A 99 2.408 -7.275 -19.784 1.00 64.20 H new ATOM 0 HD12 LEU A 99 2.337 -7.206 -21.561 1.00 64.20 H new ATOM 0 HD13 LEU A 99 3.660 -8.083 -20.757 1.00 64.20 H new ATOM 0 HD21 LEU A 99 4.106 -5.980 -18.552 1.00 2.44 H new ATOM 0 HD22 LEU A 99 5.425 -6.736 -19.476 1.00 2.44 H new ATOM 0 HD23 LEU A 99 5.275 -4.963 -19.428 1.00 2.44 H new ATOM 1588 N GLU A 100 3.918 -2.894 -23.452 1.00 64.22 N ATOM 1589 CA GLU A 100 4.433 -1.588 -23.848 1.00 43.31 C ATOM 1590 C GLU A 100 4.637 -0.692 -22.631 1.00 30.33 C ATOM 1591 O GLU A 100 3.679 -0.326 -21.948 1.00 5.33 O ATOM 1592 CB GLU A 100 3.479 -0.916 -24.837 1.00 12.53 C ATOM 1593 CG GLU A 100 4.170 0.037 -25.797 1.00 51.33 C ATOM 1594 CD GLU A 100 3.233 1.097 -26.343 1.00 23.35 C ATOM 1595 OE1 GLU A 100 2.002 0.892 -26.275 1.00 3.32 O ATOM 1596 OE2 GLU A 100 3.729 2.131 -26.838 1.00 13.23 O ATOM 0 H GLU A 100 2.996 -2.869 -23.016 1.00 64.22 H new ATOM 0 HA GLU A 100 5.398 -1.739 -24.332 1.00 43.31 H new ATOM 0 HB2 GLU A 100 2.963 -1.686 -25.411 1.00 12.53 H new ATOM 0 HB3 GLU A 100 2.718 -0.369 -24.280 1.00 12.53 H new ATOM 0 HG2 GLU A 100 5.002 0.521 -25.286 1.00 51.33 H new ATOM 0 HG3 GLU A 100 4.592 -0.531 -26.626 1.00 51.33 H new ATOM 1603 N ARG A 101 5.891 -0.341 -22.364 1.00 4.25 N ATOM 1604 CA ARG A 101 6.221 0.511 -21.228 1.00 32.41 C ATOM 1605 C ARG A 101 7.413 1.408 -21.549 1.00 74.21 C ATOM 1606 O ARG A 101 8.476 0.927 -21.941 1.00 12.55 O ATOM 1607 CB ARG A 101 6.528 -0.341 -19.995 1.00 44.21 C ATOM 1608 CG ARG A 101 6.402 0.416 -18.684 1.00 1.21 C ATOM 1609 CD ARG A 101 7.695 1.135 -18.329 1.00 54.35 C ATOM 1610 NE ARG A 101 7.798 1.403 -16.898 1.00 52.24 N ATOM 1611 CZ ARG A 101 8.942 1.683 -16.283 1.00 25.22 C ATOM 1612 NH1 ARG A 101 10.074 1.731 -16.971 1.00 24.34 N ATOM 1613 NH2 ARG A 101 8.954 1.916 -14.977 1.00 11.44 N ATOM 0 H ARG A 101 6.695 -0.634 -22.919 1.00 4.25 H new ATOM 0 HA ARG A 101 5.358 1.143 -21.018 1.00 32.41 H new ATOM 0 HB2 ARG A 101 5.852 -1.196 -19.977 1.00 44.21 H new ATOM 0 HB3 ARG A 101 7.540 -0.737 -20.080 1.00 44.21 H new ATOM 0 HG2 ARG A 101 5.590 1.140 -18.757 1.00 1.21 H new ATOM 0 HG3 ARG A 101 6.139 -0.278 -17.886 1.00 1.21 H new ATOM 0 HD2 ARG A 101 8.545 0.530 -18.646 1.00 54.35 H new ATOM 0 HD3 ARG A 101 7.750 2.075 -18.878 1.00 54.35 H new ATOM 0 HE ARG A 101 6.945 1.374 -16.339 1.00 52.24 H new ATOM 0 HH11 ARG A 101 10.068 1.553 -17.975 1.00 24.34 H new ATOM 0 HH12 ARG A 101 10.951 1.946 -16.496 1.00 24.34 H new ATOM 0 HH21 ARG A 101 8.085 1.880 -14.445 1.00 11.44 H new ATOM 0 HH22 ARG A 101 9.833 2.131 -14.505 1.00 11.44 H new ATOM 1627 N ASP A 102 7.228 2.713 -21.380 1.00 73.03 N ATOM 1628 CA ASP A 102 8.287 3.677 -21.652 1.00 63.23 C ATOM 1629 C ASP A 102 8.811 3.523 -23.077 1.00 24.24 C ATOM 1630 O ASP A 102 9.968 3.826 -23.360 1.00 10.42 O ATOM 1631 CB ASP A 102 9.433 3.503 -20.653 1.00 41.13 C ATOM 1632 CG ASP A 102 10.380 4.686 -20.647 1.00 72.41 C ATOM 1633 OD1 ASP A 102 9.902 5.830 -20.497 1.00 22.03 O ATOM 1634 OD2 ASP A 102 11.601 4.468 -20.791 1.00 51.21 O ATOM 0 H ASP A 102 6.354 3.127 -21.056 1.00 73.03 H new ATOM 0 HA ASP A 102 7.869 4.678 -21.544 1.00 63.23 H new ATOM 0 HB2 ASP A 102 9.022 3.366 -19.653 1.00 41.13 H new ATOM 0 HB3 ASP A 102 9.989 2.598 -20.896 1.00 41.13 H new ATOM 1639 N GLY A 103 7.948 3.048 -23.970 1.00 2.43 N ATOM 1640 CA GLY A 103 8.342 2.860 -25.354 1.00 31.54 C ATOM 1641 C GLY A 103 8.884 1.470 -25.620 1.00 30.50 C ATOM 1642 O GLY A 103 8.537 0.841 -26.620 1.00 10.41 O ATOM 0 H GLY A 103 6.984 2.790 -23.760 1.00 2.43 H new ATOM 0 HA2 GLY A 103 7.483 3.041 -26.001 1.00 31.54 H new ATOM 0 HA3 GLY A 103 9.100 3.598 -25.616 1.00 31.54 H new ATOM 1646 N LYS A 104 9.739 0.989 -24.724 1.00 25.14 N ATOM 1647 CA LYS A 104 10.332 -0.335 -24.865 1.00 25.34 C ATOM 1648 C LYS A 104 9.255 -1.416 -24.861 1.00 14.23 C ATOM 1649 O LYS A 104 8.372 -1.423 -24.002 1.00 31.24 O ATOM 1650 CB LYS A 104 11.333 -0.592 -23.736 1.00 11.12 C ATOM 1651 CG LYS A 104 12.477 0.407 -23.699 1.00 33.24 C ATOM 1652 CD LYS A 104 13.393 0.250 -24.901 1.00 41.15 C ATOM 1653 CE LYS A 104 14.239 -1.011 -24.796 1.00 4.32 C ATOM 1654 NZ LYS A 104 15.397 -0.980 -25.731 1.00 32.45 N ATOM 0 H LYS A 104 10.037 1.497 -23.891 1.00 25.14 H new ATOM 0 HA LYS A 104 10.856 -0.372 -25.820 1.00 25.34 H new ATOM 0 HB2 LYS A 104 10.807 -0.565 -22.782 1.00 11.12 H new ATOM 0 HB3 LYS A 104 11.742 -1.596 -23.846 1.00 11.12 H new ATOM 0 HG2 LYS A 104 12.076 1.420 -23.676 1.00 33.24 H new ATOM 0 HG3 LYS A 104 13.051 0.270 -22.783 1.00 33.24 H new ATOM 0 HD2 LYS A 104 12.796 0.214 -25.812 1.00 41.15 H new ATOM 0 HD3 LYS A 104 14.044 1.121 -24.980 1.00 41.15 H new ATOM 0 HE2 LYS A 104 14.600 -1.122 -23.774 1.00 4.32 H new ATOM 0 HE3 LYS A 104 13.621 -1.882 -25.012 1.00 4.32 H new ATOM 0 HZ1 LYS A 104 15.949 -1.856 -25.630 1.00 32.45 H new ATOM 0 HZ2 LYS A 104 15.052 -0.900 -26.709 1.00 32.45 H new ATOM 0 HZ3 LYS A 104 16.001 -0.163 -25.509 1.00 32.45 H new ATOM 1668 N LEU A 105 9.336 -2.329 -25.822 1.00 31.53 N ATOM 1669 CA LEU A 105 8.369 -3.416 -25.928 1.00 20.33 C ATOM 1670 C LEU A 105 8.933 -4.705 -25.339 1.00 75.31 C ATOM 1671 O LEU A 105 10.143 -4.928 -25.354 1.00 23.42 O ATOM 1672 CB LEU A 105 7.978 -3.637 -27.389 1.00 32.41 C ATOM 1673 CG LEU A 105 6.513 -3.989 -27.647 1.00 52.15 C ATOM 1674 CD1 LEU A 105 5.620 -2.786 -27.377 1.00 35.41 C ATOM 1675 CD2 LEU A 105 6.326 -4.484 -29.074 1.00 22.22 C ATOM 0 H LEU A 105 10.061 -2.338 -26.539 1.00 31.53 H new ATOM 0 HA LEU A 105 7.481 -3.137 -25.360 1.00 20.33 H new ATOM 0 HB2 LEU A 105 8.217 -2.733 -27.949 1.00 32.41 H new ATOM 0 HB3 LEU A 105 8.599 -4.436 -27.793 1.00 32.41 H new ATOM 0 HG LEU A 105 6.226 -4.790 -26.966 1.00 52.15 H new ATOM 0 HD11 LEU A 105 4.581 -3.055 -27.566 1.00 35.41 H new ATOM 0 HD12 LEU A 105 5.732 -2.476 -26.338 1.00 35.41 H new ATOM 0 HD13 LEU A 105 5.907 -1.965 -28.034 1.00 35.41 H new ATOM 0 HD21 LEU A 105 5.277 -4.730 -29.239 1.00 22.22 H new ATOM 0 HD22 LEU A 105 6.630 -3.704 -29.772 1.00 22.22 H new ATOM 0 HD23 LEU A 105 6.936 -5.373 -29.234 1.00 22.22 H new ATOM 1687 N MET A 106 8.048 -5.551 -24.823 1.00 74.33 N ATOM 1688 CA MET A 106 8.458 -6.821 -24.232 1.00 20.31 C ATOM 1689 C MET A 106 7.550 -7.955 -24.699 1.00 43.33 C ATOM 1690 O MET A 106 6.336 -7.787 -24.807 1.00 3.02 O ATOM 1691 CB MET A 106 8.435 -6.728 -22.706 1.00 44.33 C ATOM 1692 CG MET A 106 9.743 -6.241 -22.106 1.00 71.01 C ATOM 1693 SD MET A 106 9.869 -4.442 -22.083 1.00 50.21 S ATOM 1694 CE MET A 106 11.167 -4.209 -20.871 1.00 61.54 C ATOM 0 H MET A 106 7.042 -5.381 -24.802 1.00 74.33 H new ATOM 0 HA MET A 106 9.475 -7.035 -24.560 1.00 20.31 H new ATOM 0 HB2 MET A 106 7.633 -6.054 -22.404 1.00 44.33 H new ATOM 0 HB3 MET A 106 8.199 -7.709 -22.294 1.00 44.33 H new ATOM 0 HG2 MET A 106 9.835 -6.621 -21.089 1.00 71.01 H new ATOM 0 HG3 MET A 106 10.576 -6.652 -22.677 1.00 71.01 H new ATOM 0 HE1 MET A 106 11.360 -3.144 -20.745 1.00 61.54 H new ATOM 0 HE2 MET A 106 10.856 -4.636 -19.918 1.00 61.54 H new ATOM 0 HE3 MET A 106 12.076 -4.705 -21.211 1.00 61.54 H new ATOM 1704 N VAL A 107 8.149 -9.110 -24.974 1.00 75.01 N ATOM 1705 CA VAL A 107 7.394 -10.272 -25.427 1.00 61.12 C ATOM 1706 C VAL A 107 6.974 -11.147 -24.251 1.00 44.11 C ATOM 1707 O VAL A 107 7.731 -11.333 -23.300 1.00 61.33 O ATOM 1708 CB VAL A 107 8.214 -11.122 -26.418 1.00 11.11 C ATOM 1709 CG1 VAL A 107 7.423 -12.345 -26.853 1.00 22.41 C ATOM 1710 CG2 VAL A 107 8.625 -10.287 -27.620 1.00 1.13 C ATOM 0 H VAL A 107 9.154 -9.265 -24.891 1.00 75.01 H new ATOM 0 HA VAL A 107 6.504 -9.895 -25.932 1.00 61.12 H new ATOM 0 HB VAL A 107 9.119 -11.465 -25.916 1.00 11.11 H new ATOM 0 HG11 VAL A 107 8.017 -12.933 -27.552 1.00 22.41 H new ATOM 0 HG12 VAL A 107 7.183 -12.953 -25.980 1.00 22.41 H new ATOM 0 HG13 VAL A 107 6.500 -12.028 -27.339 1.00 22.41 H new ATOM 0 HG21 VAL A 107 9.203 -10.902 -28.310 1.00 1.13 H new ATOM 0 HG22 VAL A 107 7.734 -9.914 -28.126 1.00 1.13 H new ATOM 0 HG23 VAL A 107 9.233 -9.445 -27.288 1.00 1.13 H new ATOM 1720 N GLY A 108 5.759 -11.685 -24.325 1.00 3.25 N ATOM 1721 CA GLY A 108 5.258 -12.534 -23.261 1.00 34.24 C ATOM 1722 C GLY A 108 6.087 -13.791 -23.085 1.00 63.12 C ATOM 1723 O GLY A 108 6.926 -14.113 -23.926 1.00 74.34 O ATOM 0 H GLY A 108 5.114 -11.547 -25.103 1.00 3.25 H new ATOM 0 HA2 GLY A 108 5.250 -11.974 -22.326 1.00 34.24 H new ATOM 0 HA3 GLY A 108 4.226 -12.810 -23.476 1.00 34.24 H new ATOM 1727 N PHE A 109 5.853 -14.503 -21.986 1.00 65.53 N ATOM 1728 CA PHE A 109 6.586 -15.731 -21.701 1.00 34.22 C ATOM 1729 C PHE A 109 5.669 -16.779 -21.075 1.00 13.12 C ATOM 1730 O PHE A 109 4.647 -16.447 -20.474 1.00 33.42 O ATOM 1731 CB PHE A 109 7.762 -15.442 -20.766 1.00 43.33 C ATOM 1732 CG PHE A 109 8.915 -14.761 -21.447 1.00 4.44 C ATOM 1733 CD1 PHE A 109 9.668 -15.429 -22.398 1.00 74.21 C ATOM 1734 CD2 PHE A 109 9.246 -13.452 -21.133 1.00 64.54 C ATOM 1735 CE1 PHE A 109 10.729 -14.806 -23.026 1.00 22.11 C ATOM 1736 CE2 PHE A 109 10.307 -12.823 -21.758 1.00 30.44 C ATOM 1737 CZ PHE A 109 11.050 -13.502 -22.705 1.00 13.51 C ATOM 0 H PHE A 109 5.162 -14.250 -21.279 1.00 65.53 H new ATOM 0 HA PHE A 109 6.968 -16.124 -22.643 1.00 34.22 H new ATOM 0 HB2 PHE A 109 7.416 -14.817 -19.942 1.00 43.33 H new ATOM 0 HB3 PHE A 109 8.109 -16.379 -20.331 1.00 43.33 H new ATOM 0 HD1 PHE A 109 9.423 -16.450 -22.652 1.00 74.21 H new ATOM 0 HD2 PHE A 109 8.669 -12.918 -20.392 1.00 64.54 H new ATOM 0 HE1 PHE A 109 11.307 -15.338 -23.767 1.00 22.11 H new ATOM 0 HE2 PHE A 109 10.555 -11.802 -21.506 1.00 30.44 H new ATOM 0 HZ PHE A 109 11.880 -13.013 -23.193 1.00 13.51 H new ATOM 1747 N LYS A 110 6.043 -18.045 -21.220 1.00 53.10 N ATOM 1748 CA LYS A 110 5.257 -19.143 -20.671 1.00 31.01 C ATOM 1749 C LYS A 110 4.988 -18.928 -19.184 1.00 43.41 C ATOM 1750 O LYS A 110 5.672 -18.158 -18.510 1.00 73.41 O ATOM 1751 CB LYS A 110 5.984 -20.473 -20.881 1.00 1.21 C ATOM 1752 CG LYS A 110 5.476 -21.262 -22.076 1.00 30.45 C ATOM 1753 CD LYS A 110 6.045 -22.671 -22.096 1.00 25.15 C ATOM 1754 CE LYS A 110 6.170 -23.200 -23.517 1.00 71.12 C ATOM 1755 NZ LYS A 110 7.331 -22.599 -24.232 1.00 33.33 N ATOM 0 H LYS A 110 6.887 -18.336 -21.714 1.00 53.10 H new ATOM 0 HA LYS A 110 4.302 -19.171 -21.196 1.00 31.01 H new ATOM 0 HB2 LYS A 110 7.049 -20.279 -21.010 1.00 1.21 H new ATOM 0 HB3 LYS A 110 5.878 -21.081 -19.983 1.00 1.21 H new ATOM 0 HG2 LYS A 110 4.387 -21.309 -22.046 1.00 30.45 H new ATOM 0 HG3 LYS A 110 5.748 -20.746 -22.997 1.00 30.45 H new ATOM 0 HD2 LYS A 110 7.024 -22.676 -21.617 1.00 25.15 H new ATOM 0 HD3 LYS A 110 5.402 -23.333 -21.515 1.00 25.15 H new ATOM 0 HE2 LYS A 110 6.280 -24.284 -23.493 1.00 71.12 H new ATOM 0 HE3 LYS A 110 5.254 -22.985 -24.067 1.00 71.12 H new ATOM 0 HZ1 LYS A 110 7.125 -22.551 -25.250 1.00 33.33 H new ATOM 0 HZ2 LYS A 110 7.504 -21.640 -23.868 1.00 33.33 H new ATOM 0 HZ3 LYS A 110 8.176 -23.186 -24.078 1.00 33.33 H new ATOM 1769 N PRO A 111 3.969 -19.625 -18.659 1.00 3.22 N ATOM 1770 CA PRO A 111 3.588 -19.529 -17.247 1.00 31.43 C ATOM 1771 C PRO A 111 4.625 -20.159 -16.323 1.00 53.03 C ATOM 1772 O PRO A 111 5.040 -19.552 -15.336 1.00 72.25 O ATOM 1773 CB PRO A 111 2.271 -20.304 -17.182 1.00 2.05 C ATOM 1774 CG PRO A 111 2.336 -21.260 -18.322 1.00 62.33 C ATOM 1775 CD PRO A 111 3.111 -20.561 -19.404 1.00 71.40 C ATOM 0 HA PRO A 111 3.505 -18.494 -16.916 1.00 31.43 H new ATOM 0 HB2 PRO A 111 2.167 -20.828 -16.232 1.00 2.05 H new ATOM 0 HB3 PRO A 111 1.414 -19.637 -17.274 1.00 2.05 H new ATOM 0 HG2 PRO A 111 2.827 -22.187 -18.027 1.00 62.33 H new ATOM 0 HG3 PRO A 111 1.336 -21.525 -18.667 1.00 62.33 H new ATOM 0 HD2 PRO A 111 3.700 -21.263 -19.994 1.00 71.40 H new ATOM 0 HD3 PRO A 111 2.452 -20.038 -20.096 1.00 71.40 H new ATOM 1783 N ALA A 112 5.037 -21.379 -16.650 1.00 62.44 N ATOM 1784 CA ALA A 112 6.027 -22.090 -15.850 1.00 52.52 C ATOM 1785 C ALA A 112 7.335 -21.312 -15.775 1.00 34.24 C ATOM 1786 O ALA A 112 7.995 -21.288 -14.737 1.00 74.33 O ATOM 1787 CB ALA A 112 6.268 -23.480 -16.422 1.00 45.03 C ATOM 0 H ALA A 112 4.701 -21.896 -17.463 1.00 62.44 H new ATOM 0 HA ALA A 112 5.636 -22.189 -14.837 1.00 52.52 H new ATOM 0 HB1 ALA A 112 7.009 -24.000 -15.815 1.00 45.03 H new ATOM 0 HB2 ALA A 112 5.335 -24.043 -16.416 1.00 45.03 H new ATOM 0 HB3 ALA A 112 6.633 -23.394 -17.446 1.00 45.03 H new ATOM 1793 N GLN A 113 7.705 -20.677 -16.883 1.00 34.25 N ATOM 1794 CA GLN A 113 8.936 -19.898 -16.943 1.00 42.12 C ATOM 1795 C GLN A 113 8.804 -18.609 -16.140 1.00 63.54 C ATOM 1796 O GLN A 113 9.667 -18.282 -15.324 1.00 30.03 O ATOM 1797 CB GLN A 113 9.290 -19.574 -18.396 1.00 62.35 C ATOM 1798 CG GLN A 113 9.384 -20.802 -19.287 1.00 53.13 C ATOM 1799 CD GLN A 113 10.420 -21.797 -18.802 1.00 30.34 C ATOM 1800 OE1 GLN A 113 11.621 -21.529 -18.840 1.00 1.43 O ATOM 1801 NE2 GLN A 113 9.960 -22.955 -18.344 1.00 31.33 N ATOM 0 H GLN A 113 7.170 -20.687 -17.751 1.00 34.25 H new ATOM 0 HA GLN A 113 9.736 -20.496 -16.507 1.00 42.12 H new ATOM 0 HB2 GLN A 113 8.538 -18.897 -18.802 1.00 62.35 H new ATOM 0 HB3 GLN A 113 10.242 -19.044 -18.420 1.00 62.35 H new ATOM 0 HG2 GLN A 113 8.410 -21.290 -19.331 1.00 53.13 H new ATOM 0 HG3 GLN A 113 9.631 -20.492 -20.302 1.00 53.13 H new ATOM 0 HE21 GLN A 113 8.956 -23.136 -18.330 1.00 31.33 H new ATOM 0 HE22 GLN A 113 10.610 -23.664 -18.006 1.00 31.33 H new ATOM 1810 N TYR A 114 7.720 -17.878 -16.376 1.00 74.31 N ATOM 1811 CA TYR A 114 7.476 -16.623 -15.676 1.00 32.54 C ATOM 1812 C TYR A 114 7.501 -16.828 -14.165 1.00 30.52 C ATOM 1813 O TYR A 114 8.070 -16.024 -13.428 1.00 21.43 O ATOM 1814 CB TYR A 114 6.131 -16.031 -16.100 1.00 52.21 C ATOM 1815 CG TYR A 114 6.099 -14.520 -16.075 1.00 71.23 C ATOM 1816 CD1 TYR A 114 7.052 -13.774 -16.757 1.00 2.14 C ATOM 1817 CD2 TYR A 114 5.116 -13.838 -15.369 1.00 72.04 C ATOM 1818 CE1 TYR A 114 7.028 -12.393 -16.736 1.00 70.32 C ATOM 1819 CE2 TYR A 114 5.083 -12.457 -15.343 1.00 0.14 C ATOM 1820 CZ TYR A 114 6.041 -11.739 -16.028 1.00 74.52 C ATOM 1821 OH TYR A 114 6.012 -10.363 -16.005 1.00 24.42 O ATOM 0 H TYR A 114 6.996 -18.134 -17.047 1.00 74.31 H new ATOM 0 HA TYR A 114 8.272 -15.927 -15.943 1.00 32.54 H new ATOM 0 HB2 TYR A 114 5.894 -16.374 -17.107 1.00 52.21 H new ATOM 0 HB3 TYR A 114 5.351 -16.413 -15.441 1.00 52.21 H new ATOM 0 HD1 TYR A 114 7.825 -14.283 -17.313 1.00 2.14 H new ATOM 0 HD2 TYR A 114 4.365 -14.397 -14.831 1.00 72.04 H new ATOM 0 HE1 TYR A 114 7.778 -11.829 -17.271 1.00 70.32 H new ATOM 0 HE2 TYR A 114 4.311 -11.943 -14.789 1.00 0.14 H new ATOM 0 HH TYR A 114 5.254 -10.061 -15.463 1.00 24.42 H new ATOM 1831 N GLU A 115 6.878 -17.912 -13.711 1.00 14.02 N ATOM 1832 CA GLU A 115 6.828 -18.222 -12.288 1.00 22.21 C ATOM 1833 C GLU A 115 8.200 -18.649 -11.775 1.00 15.44 C ATOM 1834 O GLU A 115 8.688 -18.132 -10.770 1.00 4.40 O ATOM 1835 CB GLU A 115 5.804 -19.329 -12.020 1.00 5.22 C ATOM 1836 CG GLU A 115 4.419 -19.020 -12.561 1.00 30.50 C ATOM 1837 CD GLU A 115 3.405 -18.774 -11.460 1.00 42.21 C ATOM 1838 OE1 GLU A 115 3.784 -18.196 -10.421 1.00 54.12 O ATOM 1839 OE2 GLU A 115 2.231 -19.162 -11.639 1.00 14.10 O ATOM 0 H GLU A 115 6.402 -18.589 -14.308 1.00 14.02 H new ATOM 0 HA GLU A 115 6.525 -17.320 -11.757 1.00 22.21 H new ATOM 0 HB2 GLU A 115 6.160 -20.258 -12.466 1.00 5.22 H new ATOM 0 HB3 GLU A 115 5.736 -19.497 -10.945 1.00 5.22 H new ATOM 0 HG2 GLU A 115 4.472 -18.142 -13.204 1.00 30.50 H new ATOM 0 HG3 GLU A 115 4.082 -19.850 -13.182 1.00 30.50 H new ATOM 1846 N ALA A 116 8.817 -19.598 -12.473 1.00 50.22 N ATOM 1847 CA ALA A 116 10.133 -20.093 -12.090 1.00 4.31 C ATOM 1848 C ALA A 116 11.161 -18.967 -12.076 1.00 51.44 C ATOM 1849 O ALA A 116 12.140 -19.016 -11.330 1.00 72.23 O ATOM 1850 CB ALA A 116 10.575 -21.201 -13.035 1.00 54.13 C ATOM 0 H ALA A 116 8.426 -20.039 -13.306 1.00 50.22 H new ATOM 0 HA ALA A 116 10.062 -20.497 -11.080 1.00 4.31 H new ATOM 0 HB1 ALA A 116 11.560 -21.562 -12.737 1.00 54.13 H new ATOM 0 HB2 ALA A 116 9.860 -22.022 -12.993 1.00 54.13 H new ATOM 0 HB3 ALA A 116 10.623 -20.814 -14.053 1.00 54.13 H new ATOM 1856 N TYR A 117 10.933 -17.954 -12.904 1.00 54.32 N ATOM 1857 CA TYR A 117 11.842 -16.817 -12.988 1.00 43.12 C ATOM 1858 C TYR A 117 11.556 -15.807 -11.881 1.00 23.32 C ATOM 1859 O TYR A 117 12.475 -15.249 -11.280 1.00 72.22 O ATOM 1860 CB TYR A 117 11.720 -16.140 -14.354 1.00 24.03 C ATOM 1861 CG TYR A 117 12.483 -14.838 -14.455 1.00 64.05 C ATOM 1862 CD1 TYR A 117 13.818 -14.761 -14.081 1.00 22.44 C ATOM 1863 CD2 TYR A 117 11.867 -13.685 -14.926 1.00 53.14 C ATOM 1864 CE1 TYR A 117 14.519 -13.575 -14.170 1.00 40.30 C ATOM 1865 CE2 TYR A 117 12.561 -12.493 -15.020 1.00 11.13 C ATOM 1866 CZ TYR A 117 13.885 -12.443 -14.641 1.00 14.53 C ATOM 1867 OH TYR A 117 14.579 -11.258 -14.733 1.00 31.20 O ATOM 0 H TYR A 117 10.127 -17.897 -13.526 1.00 54.32 H new ATOM 0 HA TYR A 117 12.859 -17.188 -12.862 1.00 43.12 H new ATOM 0 HB2 TYR A 117 12.081 -16.824 -15.122 1.00 24.03 H new ATOM 0 HB3 TYR A 117 10.667 -15.952 -14.564 1.00 24.03 H new ATOM 0 HD1 TYR A 117 14.317 -15.645 -13.714 1.00 22.44 H new ATOM 0 HD2 TYR A 117 10.829 -13.721 -15.223 1.00 53.14 H new ATOM 0 HE1 TYR A 117 15.557 -13.533 -13.873 1.00 40.30 H new ATOM 0 HE2 TYR A 117 12.068 -11.606 -15.389 1.00 11.13 H new ATOM 0 HH TYR A 117 13.988 -10.559 -15.084 1.00 31.20 H new ATOM 1877 N PHE A 118 10.274 -15.578 -11.615 1.00 14.14 N ATOM 1878 CA PHE A 118 9.864 -14.636 -10.580 1.00 2.10 C ATOM 1879 C PHE A 118 10.478 -15.006 -9.233 1.00 23.32 C ATOM 1880 O PHE A 118 10.819 -14.135 -8.433 1.00 14.34 O ATOM 1881 CB PHE A 118 8.339 -14.603 -10.466 1.00 24.24 C ATOM 1882 CG PHE A 118 7.794 -13.253 -10.096 1.00 65.14 C ATOM 1883 CD1 PHE A 118 8.051 -12.706 -8.849 1.00 41.02 C ATOM 1884 CD2 PHE A 118 7.026 -12.531 -10.995 1.00 55.11 C ATOM 1885 CE1 PHE A 118 7.550 -11.464 -8.505 1.00 73.25 C ATOM 1886 CE2 PHE A 118 6.524 -11.288 -10.657 1.00 41.31 C ATOM 1887 CZ PHE A 118 6.786 -10.754 -9.411 1.00 31.03 C ATOM 0 H PHE A 118 9.501 -16.032 -12.102 1.00 14.14 H new ATOM 0 HA PHE A 118 10.222 -13.646 -10.863 1.00 2.10 H new ATOM 0 HB2 PHE A 118 7.905 -14.913 -11.417 1.00 24.24 H new ATOM 0 HB3 PHE A 118 8.023 -15.331 -9.719 1.00 24.24 H new ATOM 0 HD1 PHE A 118 8.649 -13.256 -8.138 1.00 41.02 H new ATOM 0 HD2 PHE A 118 6.817 -12.944 -11.971 1.00 55.11 H new ATOM 0 HE1 PHE A 118 7.756 -11.049 -7.529 1.00 73.25 H new ATOM 0 HE2 PHE A 118 5.927 -10.735 -11.367 1.00 41.31 H new ATOM 0 HZ PHE A 118 6.394 -9.783 -9.145 1.00 31.03 H new ATOM 1897 N LYS A 119 10.616 -16.305 -8.990 1.00 45.31 N ATOM 1898 CA LYS A 119 11.190 -16.793 -7.742 1.00 73.12 C ATOM 1899 C LYS A 119 12.709 -16.892 -7.843 1.00 53.44 C ATOM 1900 O LYS A 119 13.239 -17.548 -8.741 1.00 11.14 O ATOM 1901 CB LYS A 119 10.601 -18.160 -7.386 1.00 41.45 C ATOM 1902 CG LYS A 119 10.617 -18.461 -5.897 1.00 3.34 C ATOM 1903 CD LYS A 119 11.941 -19.068 -5.465 1.00 40.53 C ATOM 1904 CE LYS A 119 11.919 -20.585 -5.568 1.00 22.25 C ATOM 1905 NZ LYS A 119 11.415 -21.218 -4.318 1.00 11.40 N ATOM 0 H LYS A 119 10.338 -17.039 -9.641 1.00 45.31 H new ATOM 0 HA LYS A 119 10.942 -16.081 -6.955 1.00 73.12 H new ATOM 0 HB2 LYS A 119 9.574 -18.209 -7.747 1.00 41.45 H new ATOM 0 HB3 LYS A 119 11.160 -18.935 -7.911 1.00 41.45 H new ATOM 0 HG2 LYS A 119 10.437 -17.543 -5.337 1.00 3.34 H new ATOM 0 HG3 LYS A 119 9.805 -19.147 -5.655 1.00 3.34 H new ATOM 0 HD2 LYS A 119 12.744 -18.672 -6.086 1.00 40.53 H new ATOM 0 HD3 LYS A 119 12.159 -18.775 -4.438 1.00 40.53 H new ATOM 0 HE2 LYS A 119 11.289 -20.883 -6.406 1.00 22.25 H new ATOM 0 HE3 LYS A 119 12.924 -20.949 -5.780 1.00 22.25 H new ATOM 0 HZ1 LYS A 119 11.415 -22.252 -4.428 1.00 11.40 H new ATOM 0 HZ2 LYS A 119 12.031 -20.954 -3.523 1.00 11.40 H new ATOM 0 HZ3 LYS A 119 10.446 -20.890 -4.129 1.00 11.40 H new ATOM 1919 N LEU A 120 13.401 -16.240 -6.916 1.00 51.43 N ATOM 1920 CA LEU A 120 14.861 -16.257 -6.900 1.00 62.11 C ATOM 1921 C LEU A 120 15.425 -15.844 -8.255 1.00 51.03 C ATOM 1922 O LEU A 120 16.032 -16.652 -8.959 1.00 22.42 O ATOM 1923 CB LEU A 120 15.371 -17.650 -6.525 1.00 40.12 C ATOM 1924 CG LEU A 120 16.888 -17.805 -6.427 1.00 62.42 C ATOM 1925 CD1 LEU A 120 17.354 -17.607 -4.993 1.00 62.14 C ATOM 1926 CD2 LEU A 120 17.319 -19.169 -6.946 1.00 30.24 C ATOM 0 H LEU A 120 12.977 -15.694 -6.166 1.00 51.43 H new ATOM 0 HA LEU A 120 15.200 -15.540 -6.152 1.00 62.11 H new ATOM 0 HB2 LEU A 120 14.935 -17.929 -5.566 1.00 40.12 H new ATOM 0 HB3 LEU A 120 15.000 -18.362 -7.263 1.00 40.12 H new ATOM 0 HG LEU A 120 17.353 -17.039 -7.047 1.00 62.42 H new ATOM 0 HD11 LEU A 120 18.437 -17.721 -4.943 1.00 62.14 H new ATOM 0 HD12 LEU A 120 17.079 -16.608 -4.656 1.00 62.14 H new ATOM 0 HD13 LEU A 120 16.881 -18.350 -4.351 1.00 62.14 H new ATOM 0 HD21 LEU A 120 18.402 -19.262 -6.869 1.00 30.24 H new ATOM 0 HD22 LEU A 120 16.844 -19.951 -6.353 1.00 30.24 H new ATOM 0 HD23 LEU A 120 17.019 -19.273 -7.989 1.00 30.24 H new TER 1938 LEU A 120