USER MOD reduce.3.24.130724 H: found=0, std=0, add=1099, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1100 hydrogens (3 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 75 THR OG1 : rot 122:sc= 0.545 USER MOD Set 1.2: A 77 CYS SG : rot 180:sc= 0.133 USER MOD Set 2.1: A 46 ASN : amide:sc= -0.682! K(o=-0.19!,f=-1.8) USER MOD Set 2.2: A 49 LYS NZ :NH3+ -129:sc= 0.496 (180deg=0) USER MOD Set 3.1: A 36 ASN : amide:sc= 0.459 K(o=0.97,f=-0.89) USER MOD Set 3.2: A 51 TYR OH : rot 13:sc= 0.51 USER MOD Single : A 17 THR OG1 : rot 20:sc= 0.291 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 157:sc= 0.175 (180deg=-0.637!) USER MOD Single : A 33 THR OG1 : rot 69:sc= 0.707 USER MOD Single : A 34 GLN : amide:sc= -2.2 K(o=-2.2,f=-3.2!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -152:sc= 1.26 (180deg=1.14) USER MOD Single : A 42 LYS NZ :NH3+ -160:sc= -0.0854 (180deg=-0.49) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 74:sc= -1.27! USER MOD Single : A 53 GLN : amide:sc= -1.32 X(o=-1.3,f=-1.3) USER MOD Single : A 58 ASN : amide:sc= -3.04 K(o=-3,f=-7.3!) USER MOD Single : A 60 SER OG : rot 180:sc= 0.0981 USER MOD Single : A 61 ASN : amide:sc= -1.75! C(o=-1.8!,f=-9.7!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN :FLIP amide:sc= -1.03 F(o=-6.2!,f=-1) USER MOD Single : A 69 SER OG : rot -88:sc= 0.657 USER MOD Single : A 72 TYR OH : rot 30:sc= -0.0221 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.307 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 30:sc= -0.287 USER MOD Single : A 97 LYS NZ :NH3+ -175:sc= 1.17 (180deg=1.1) USER MOD Single : A 99 TYR OH : rot 15:sc= -0.631 USER MOD Single : A 100 TYR OH : rot 24:sc= -1.77! USER MOD Single : A 105 SER OG : rot 180:sc= -0.664 USER MOD Single : A 106 ASN :FLIP amide:sc= -1.26 F(o=-3.8!,f=-1.3) USER MOD Single : A 107 MET CE :methyl 156:sc= -2.48! (180deg=-3.36!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 TYR OH : rot -15:sc= -0.014 USER MOD Single : A 121 THR OG1 : rot 74:sc= 0.621 USER MOD Single : A 124 LYS NZ :NH3+ -175:sc= 1.25 (180deg=1.12) USER MOD Single : A 126 LYS NZ :NH3+ -159:sc= 2.18 (180deg=1.48) USER MOD Single : A 128 HIS : no HD1:sc=-2.94e-05 X(o=-2.9e-05,f=0) USER MOD Single : A 130 LYS NZ :NH3+ -136:sc= -0.0769 (180deg=-0.38) USER MOD Single : A 133 LYS NZ :NH3+ -126:sc= -0.0597 (180deg=-0.879) USER MOD Single : A 134 MET CE :methyl -162:sc= -0.205 (180deg=-0.92) USER MOD Single : A 135 LYS NZ :NH3+ -157:sc= 2.14 (180deg=1.5) USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 137 GLN : amide:sc= -0.933 K(o=-0.93,f=-1.4) USER MOD Single : A 139 CYS SG : rot 80:sc= -2.32 USER MOD Single : A 140 ASN : amide:sc= -0.716 K(o=-0.72,f=-2.6!) USER MOD Single : A 141 LYS NZ :NH3+ 140:sc= 0.0444 (180deg=0) USER MOD Single : A 144 LYS NZ :NH3+ -165:sc= -0.0135 (180deg=-0.155) USER MOD Single : A 145 GLN : amide:sc= -0.227 K(o=-0.23,f=-4!) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 17 -20.983 -13.860 12.607 1.00 1.33 N ATOM 2 CA THR A 17 -21.391 -13.661 11.224 1.00 1.20 C ATOM 3 C THR A 17 -20.334 -14.212 10.267 1.00 1.09 C ATOM 4 O THR A 17 -19.135 -14.144 10.546 1.00 1.11 O ATOM 5 CB THR A 17 -21.607 -12.161 10.926 1.00 1.41 C ATOM 6 OG1 THR A 17 -22.360 -11.564 11.992 1.00 2.22 O ATOM 7 CG2 THR A 17 -22.344 -11.951 9.604 1.00 0.92 C ATOM 0 HA THR A 17 -22.329 -14.196 11.076 1.00 1.20 H new ATOM 0 HB THR A 17 -20.628 -11.689 10.846 1.00 1.41 H new ATOM 0 HG1 THR A 17 -22.295 -12.126 12.793 1.00 2.22 H new ATOM 0 HG21 THR A 17 -22.478 -10.884 9.428 1.00 0.92 H new ATOM 0 HG22 THR A 17 -21.762 -12.383 8.790 1.00 0.92 H new ATOM 0 HG23 THR A 17 -23.319 -12.436 9.650 1.00 0.92 H new ATOM 15 N ASP A 18 -20.790 -14.794 9.165 1.00 1.03 N ATOM 16 CA ASP A 18 -19.902 -15.177 8.069 1.00 0.95 C ATOM 17 C ASP A 18 -19.416 -13.906 7.379 1.00 0.84 C ATOM 18 O ASP A 18 -19.851 -12.815 7.753 1.00 0.84 O ATOM 19 CB ASP A 18 -20.650 -16.056 7.057 1.00 0.95 C ATOM 20 CG ASP A 18 -21.315 -17.262 7.683 1.00 1.08 C ATOM 21 OD1 ASP A 18 -20.604 -18.203 8.081 1.00 1.18 O ATOM 22 OD2 ASP A 18 -22.562 -17.272 7.779 1.00 1.16 O ATOM 0 H ASP A 18 -21.773 -15.013 9.004 1.00 1.03 H new ATOM 0 HA ASP A 18 -19.059 -15.745 8.462 1.00 0.95 H new ATOM 0 HB2 ASP A 18 -21.406 -15.454 6.554 1.00 0.95 H new ATOM 0 HB3 ASP A 18 -19.950 -16.393 6.292 1.00 0.95 H new ATOM 27 N PRO A 19 -18.517 -13.996 6.373 1.00 0.78 N ATOM 28 CA PRO A 19 -18.171 -12.837 5.563 1.00 0.70 C ATOM 29 C PRO A 19 -19.431 -12.144 5.083 1.00 0.65 C ATOM 30 O PRO A 19 -20.400 -12.820 4.713 1.00 0.70 O ATOM 31 CB PRO A 19 -17.415 -13.415 4.357 1.00 0.71 C ATOM 32 CG PRO A 19 -17.443 -14.901 4.517 1.00 0.75 C ATOM 33 CD PRO A 19 -17.771 -15.188 5.957 1.00 0.84 C ATOM 0 HA PRO A 19 -17.583 -12.107 6.119 1.00 0.70 H new ATOM 0 HB2 PRO A 19 -17.888 -13.116 3.422 1.00 0.71 H new ATOM 0 HB3 PRO A 19 -16.390 -13.046 4.328 1.00 0.71 H new ATOM 0 HG2 PRO A 19 -18.188 -15.345 3.857 1.00 0.75 H new ATOM 0 HG3 PRO A 19 -16.480 -15.335 4.248 1.00 0.75 H new ATOM 0 HD2 PRO A 19 -18.368 -16.094 6.061 1.00 0.84 H new ATOM 0 HD3 PRO A 19 -16.871 -15.329 6.555 1.00 0.84 H new ATOM 41 N PRO A 20 -19.464 -10.807 5.106 1.00 0.58 N ATOM 42 CA PRO A 20 -20.606 -10.064 4.594 1.00 0.54 C ATOM 43 C PRO A 20 -20.956 -10.544 3.197 1.00 0.55 C ATOM 44 O PRO A 20 -20.096 -11.044 2.469 1.00 0.58 O ATOM 45 CB PRO A 20 -20.127 -8.617 4.579 1.00 0.49 C ATOM 46 CG PRO A 20 -19.051 -8.566 5.612 1.00 0.50 C ATOM 47 CD PRO A 20 -18.404 -9.924 5.616 1.00 0.56 C ATOM 0 HA PRO A 20 -21.507 -10.191 5.194 1.00 0.54 H new ATOM 0 HB2 PRO A 20 -19.747 -8.335 3.597 1.00 0.49 H new ATOM 0 HB3 PRO A 20 -20.938 -7.928 4.817 1.00 0.49 H new ATOM 0 HG2 PRO A 20 -18.323 -7.789 5.377 1.00 0.50 H new ATOM 0 HG3 PRO A 20 -19.464 -8.329 6.592 1.00 0.50 H new ATOM 0 HD2 PRO A 20 -17.519 -9.950 4.980 1.00 0.56 H new ATOM 0 HD3 PRO A 20 -18.086 -10.215 6.617 1.00 0.56 H new ATOM 55 N ALA A 21 -22.208 -10.425 2.835 1.00 0.56 N ATOM 56 CA ALA A 21 -22.684 -11.010 1.604 1.00 0.63 C ATOM 57 C ALA A 21 -22.105 -10.312 0.375 1.00 0.60 C ATOM 58 O ALA A 21 -21.404 -9.313 0.485 1.00 0.60 O ATOM 59 CB ALA A 21 -24.201 -10.977 1.578 1.00 0.72 C ATOM 0 H ALA A 21 -22.918 -9.929 3.374 1.00 0.56 H new ATOM 0 HA ALA A 21 -22.344 -12.045 1.568 1.00 0.63 H new ATOM 0 HB1 ALA A 21 -24.559 -11.419 0.648 1.00 0.72 H new ATOM 0 HB2 ALA A 21 -24.592 -11.544 2.423 1.00 0.72 H new ATOM 0 HB3 ALA A 21 -24.544 -9.944 1.644 1.00 0.72 H new ATOM 65 N ASP A 22 -22.441 -10.875 -0.775 1.00 0.64 N ATOM 66 CA ASP A 22 -22.139 -10.338 -2.106 1.00 0.70 C ATOM 67 C ASP A 22 -22.299 -8.824 -2.151 1.00 0.67 C ATOM 68 O ASP A 22 -21.338 -8.130 -1.881 1.00 1.01 O ATOM 69 CB ASP A 22 -23.000 -11.019 -3.177 1.00 1.01 C ATOM 70 CG ASP A 22 -22.740 -10.482 -4.573 1.00 1.54 C ATOM 71 OD1 ASP A 22 -21.602 -10.606 -5.064 1.00 1.66 O ATOM 72 OD2 ASP A 22 -23.678 -9.921 -5.175 1.00 2.34 O ATOM 0 H ASP A 22 -22.953 -11.756 -0.815 1.00 0.64 H new ATOM 0 HA ASP A 22 -21.093 -10.558 -2.321 1.00 0.70 H new ATOM 0 HB2 ASP A 22 -22.806 -12.092 -3.164 1.00 1.01 H new ATOM 0 HB3 ASP A 22 -24.053 -10.882 -2.931 1.00 1.01 H new ATOM 77 N GLY A 23 -23.424 -8.335 -2.673 1.00 0.72 N ATOM 78 CA GLY A 23 -23.710 -6.895 -2.726 1.00 0.69 C ATOM 79 C GLY A 23 -22.955 -6.039 -1.701 1.00 0.61 C ATOM 80 O GLY A 23 -22.439 -4.981 -2.055 1.00 0.60 O ATOM 0 H GLY A 23 -24.161 -8.919 -3.069 1.00 0.72 H new ATOM 0 HA2 GLY A 23 -23.472 -6.530 -3.725 1.00 0.69 H new ATOM 0 HA3 GLY A 23 -24.780 -6.748 -2.580 1.00 0.69 H new ATOM 84 N ALA A 24 -22.879 -6.489 -0.446 1.00 0.59 N ATOM 85 CA ALA A 24 -22.091 -5.793 0.575 1.00 0.55 C ATOM 86 C ALA A 24 -20.591 -5.833 0.242 1.00 0.48 C ATOM 87 O ALA A 24 -19.942 -4.793 0.126 1.00 0.44 O ATOM 88 CB ALA A 24 -22.345 -6.407 1.949 1.00 0.56 C ATOM 0 H ALA A 24 -23.352 -7.329 -0.113 1.00 0.59 H new ATOM 0 HA ALA A 24 -22.405 -4.749 0.590 1.00 0.55 H new ATOM 0 HB1 ALA A 24 -21.753 -5.880 2.698 1.00 0.56 H new ATOM 0 HB2 ALA A 24 -23.403 -6.321 2.196 1.00 0.56 H new ATOM 0 HB3 ALA A 24 -22.060 -7.459 1.936 1.00 0.56 H new ATOM 94 N LEU A 25 -20.059 -7.041 0.076 1.00 0.49 N ATOM 95 CA LEU A 25 -18.648 -7.249 -0.260 1.00 0.48 C ATOM 96 C LEU A 25 -18.273 -6.602 -1.585 1.00 0.51 C ATOM 97 O LEU A 25 -17.245 -5.929 -1.688 1.00 0.53 O ATOM 98 CB LEU A 25 -18.325 -8.748 -0.323 1.00 0.47 C ATOM 99 CG LEU A 25 -18.154 -9.434 1.030 1.00 0.48 C ATOM 100 CD1 LEU A 25 -17.015 -10.439 0.986 1.00 0.53 C ATOM 101 CD2 LEU A 25 -17.913 -8.404 2.109 1.00 0.49 C ATOM 0 H LEU A 25 -20.592 -7.906 0.170 1.00 0.49 H new ATOM 0 HA LEU A 25 -18.063 -6.776 0.529 1.00 0.48 H new ATOM 0 HB2 LEU A 25 -19.122 -9.252 -0.870 1.00 0.47 H new ATOM 0 HB3 LEU A 25 -17.409 -8.882 -0.899 1.00 0.47 H new ATOM 0 HG LEU A 25 -19.072 -9.975 1.262 1.00 0.48 H new ATOM 0 HD11 LEU A 25 -16.912 -10.915 1.961 1.00 0.53 H new ATOM 0 HD12 LEU A 25 -17.228 -11.197 0.233 1.00 0.53 H new ATOM 0 HD13 LEU A 25 -16.087 -9.926 0.733 1.00 0.53 H new ATOM 0 HD21 LEU A 25 -17.793 -8.905 3.070 1.00 0.49 H new ATOM 0 HD22 LEU A 25 -17.009 -7.840 1.878 1.00 0.49 H new ATOM 0 HD23 LEU A 25 -18.763 -7.723 2.159 1.00 0.49 H new ATOM 113 N LYS A 26 -19.105 -6.802 -2.594 1.00 0.55 N ATOM 114 CA LYS A 26 -18.832 -6.259 -3.917 1.00 0.59 C ATOM 115 C LYS A 26 -18.889 -4.739 -3.867 1.00 0.52 C ATOM 116 O LYS A 26 -18.265 -4.058 -4.671 1.00 0.53 O ATOM 117 CB LYS A 26 -19.837 -6.784 -4.944 1.00 0.68 C ATOM 118 CG LYS A 26 -21.136 -6.008 -4.959 1.00 0.73 C ATOM 119 CD LYS A 26 -22.138 -6.604 -5.923 1.00 0.82 C ATOM 120 CE LYS A 26 -23.300 -5.656 -6.152 1.00 0.93 C ATOM 121 NZ LYS A 26 -24.252 -6.175 -7.167 1.00 1.53 N ATOM 0 H LYS A 26 -19.972 -7.334 -2.524 1.00 0.55 H new ATOM 0 HA LYS A 26 -17.836 -6.578 -4.222 1.00 0.59 H new ATOM 0 HB2 LYS A 26 -19.387 -6.745 -5.936 1.00 0.68 H new ATOM 0 HB3 LYS A 26 -20.050 -7.832 -4.732 1.00 0.68 H new ATOM 0 HG2 LYS A 26 -21.562 -5.993 -3.956 1.00 0.73 H new ATOM 0 HG3 LYS A 26 -20.937 -4.973 -5.236 1.00 0.73 H new ATOM 0 HD2 LYS A 26 -21.649 -6.823 -6.873 1.00 0.82 H new ATOM 0 HD3 LYS A 26 -22.508 -7.551 -5.530 1.00 0.82 H new ATOM 0 HE2 LYS A 26 -23.826 -5.494 -5.211 1.00 0.93 H new ATOM 0 HE3 LYS A 26 -22.919 -4.687 -6.475 1.00 0.93 H new ATOM 0 HZ1 LYS A 26 -25.030 -5.496 -7.292 1.00 1.53 H new ATOM 0 HZ2 LYS A 26 -23.757 -6.305 -8.072 1.00 1.53 H new ATOM 0 HZ3 LYS A 26 -24.636 -7.087 -6.848 1.00 1.53 H new ATOM 135 N ARG A 27 -19.641 -4.212 -2.907 1.00 0.49 N ATOM 136 CA ARG A 27 -19.729 -2.778 -2.717 1.00 0.45 C ATOM 137 C ARG A 27 -18.466 -2.267 -2.059 1.00 0.39 C ATOM 138 O ARG A 27 -18.008 -1.170 -2.354 1.00 0.37 O ATOM 139 CB ARG A 27 -20.943 -2.413 -1.869 1.00 0.49 C ATOM 140 CG ARG A 27 -21.128 -0.919 -1.686 1.00 0.45 C ATOM 141 CD ARG A 27 -21.123 -0.210 -3.027 1.00 0.51 C ATOM 142 NE ARG A 27 -21.874 1.042 -3.001 1.00 1.11 N ATOM 143 CZ ARG A 27 -22.014 1.846 -4.053 1.00 1.29 C ATOM 144 NH1 ARG A 27 -21.408 1.560 -5.198 1.00 1.01 N ATOM 145 NH2 ARG A 27 -22.754 2.940 -3.950 1.00 2.11 N ATOM 0 H ARG A 27 -20.197 -4.761 -2.251 1.00 0.49 H new ATOM 0 HA ARG A 27 -19.842 -2.309 -3.694 1.00 0.45 H new ATOM 0 HB2 ARG A 27 -21.838 -2.827 -2.333 1.00 0.49 H new ATOM 0 HB3 ARG A 27 -20.846 -2.881 -0.890 1.00 0.49 H new ATOM 0 HG2 ARG A 27 -22.068 -0.724 -1.170 1.00 0.45 H new ATOM 0 HG3 ARG A 27 -20.331 -0.523 -1.057 1.00 0.45 H new ATOM 0 HD2 ARG A 27 -20.094 -0.006 -3.323 1.00 0.51 H new ATOM 0 HD3 ARG A 27 -21.548 -0.869 -3.784 1.00 0.51 H new ATOM 0 HE ARG A 27 -22.318 1.317 -2.125 1.00 1.11 H new ATOM 0 HH11 ARG A 27 -20.832 0.722 -5.275 1.00 1.01 H new ATOM 0 HH12 ARG A 27 -21.518 2.179 -6.002 1.00 1.01 H new ATOM 0 HH21 ARG A 27 -23.214 3.164 -3.067 1.00 2.11 H new ATOM 0 HH22 ARG A 27 -22.864 3.559 -4.753 1.00 2.11 H new ATOM 159 N ALA A 28 -17.904 -3.065 -1.168 1.00 0.39 N ATOM 160 CA ALA A 28 -16.625 -2.732 -0.575 1.00 0.37 C ATOM 161 C ALA A 28 -15.567 -2.705 -1.663 1.00 0.37 C ATOM 162 O ALA A 28 -14.649 -1.886 -1.650 1.00 0.36 O ATOM 163 CB ALA A 28 -16.263 -3.730 0.515 1.00 0.42 C ATOM 0 H ALA A 28 -18.311 -3.942 -0.842 1.00 0.39 H new ATOM 0 HA ALA A 28 -16.684 -1.748 -0.110 1.00 0.37 H new ATOM 0 HB1 ALA A 28 -15.299 -3.462 0.948 1.00 0.42 H new ATOM 0 HB2 ALA A 28 -17.027 -3.713 1.292 1.00 0.42 H new ATOM 0 HB3 ALA A 28 -16.203 -4.731 0.087 1.00 0.42 H new ATOM 169 N GLU A 29 -15.736 -3.599 -2.622 1.00 0.43 N ATOM 170 CA GLU A 29 -14.864 -3.667 -3.777 1.00 0.47 C ATOM 171 C GLU A 29 -15.154 -2.490 -4.709 1.00 0.45 C ATOM 172 O GLU A 29 -14.260 -1.976 -5.391 1.00 0.48 O ATOM 173 CB GLU A 29 -15.070 -5.000 -4.493 1.00 0.55 C ATOM 174 CG GLU A 29 -13.795 -5.564 -5.092 1.00 0.84 C ATOM 175 CD GLU A 29 -13.975 -6.961 -5.638 1.00 1.52 C ATOM 176 OE1 GLU A 29 -14.544 -7.106 -6.740 1.00 1.83 O ATOM 177 OE2 GLU A 29 -13.540 -7.922 -4.967 1.00 2.41 O ATOM 0 H GLU A 29 -16.481 -4.296 -2.620 1.00 0.43 H new ATOM 0 HA GLU A 29 -13.823 -3.604 -3.461 1.00 0.47 H new ATOM 0 HB2 GLU A 29 -15.483 -5.722 -3.789 1.00 0.55 H new ATOM 0 HB3 GLU A 29 -15.808 -4.869 -5.285 1.00 0.55 H new ATOM 0 HG2 GLU A 29 -13.453 -4.907 -5.892 1.00 0.84 H new ATOM 0 HG3 GLU A 29 -13.014 -5.574 -4.331 1.00 0.84 H new ATOM 184 N GLU A 30 -16.406 -2.043 -4.706 1.00 0.43 N ATOM 185 CA GLU A 30 -16.804 -0.878 -5.475 1.00 0.44 C ATOM 186 C GLU A 30 -16.168 0.362 -4.900 1.00 0.41 C ATOM 187 O GLU A 30 -15.611 1.166 -5.624 1.00 0.48 O ATOM 188 CB GLU A 30 -18.314 -0.685 -5.464 1.00 0.47 C ATOM 189 CG GLU A 30 -19.044 -1.372 -6.586 1.00 0.64 C ATOM 190 CD GLU A 30 -18.402 -1.142 -7.941 1.00 1.23 C ATOM 191 OE1 GLU A 30 -18.387 0.016 -8.404 1.00 1.52 O ATOM 192 OE2 GLU A 30 -17.938 -2.119 -8.563 1.00 1.72 O ATOM 0 H GLU A 30 -17.163 -2.475 -4.176 1.00 0.43 H new ATOM 0 HA GLU A 30 -16.474 -1.042 -6.501 1.00 0.44 H new ATOM 0 HB2 GLU A 30 -18.706 -1.051 -4.515 1.00 0.47 H new ATOM 0 HB3 GLU A 30 -18.530 0.382 -5.508 1.00 0.47 H new ATOM 0 HG2 GLU A 30 -19.082 -2.443 -6.385 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -20.074 -1.016 -6.613 1.00 0.64 H new ATOM 199 N LEU A 31 -16.256 0.499 -3.586 1.00 0.36 N ATOM 200 CA LEU A 31 -15.721 1.660 -2.897 1.00 0.36 C ATOM 201 C LEU A 31 -14.218 1.764 -3.101 1.00 0.37 C ATOM 202 O LEU A 31 -13.669 2.861 -3.148 1.00 0.41 O ATOM 203 CB LEU A 31 -16.065 1.594 -1.413 1.00 0.35 C ATOM 204 CG LEU A 31 -17.561 1.637 -1.103 1.00 0.37 C ATOM 205 CD1 LEU A 31 -17.790 1.491 0.386 1.00 0.37 C ATOM 206 CD2 LEU A 31 -18.189 2.928 -1.598 1.00 0.42 C ATOM 0 H LEU A 31 -16.697 -0.186 -2.972 1.00 0.36 H new ATOM 0 HA LEU A 31 -16.177 2.556 -3.319 1.00 0.36 H new ATOM 0 HB2 LEU A 31 -15.648 0.677 -0.997 1.00 0.35 H new ATOM 0 HB3 LEU A 31 -15.578 2.425 -0.903 1.00 0.35 H new ATOM 0 HG LEU A 31 -18.035 0.806 -1.624 1.00 0.37 H new ATOM 0 HD11 LEU A 31 -18.859 1.523 0.595 1.00 0.37 H new ATOM 0 HD12 LEU A 31 -17.383 0.539 0.725 1.00 0.37 H new ATOM 0 HD13 LEU A 31 -17.293 2.306 0.912 1.00 0.37 H new ATOM 0 HD21 LEU A 31 -19.253 2.928 -1.363 1.00 0.42 H new ATOM 0 HD22 LEU A 31 -17.709 3.776 -1.110 1.00 0.42 H new ATOM 0 HD23 LEU A 31 -18.056 3.007 -2.677 1.00 0.42 H new ATOM 218 N LYS A 32 -13.558 0.619 -3.249 1.00 0.37 N ATOM 219 CA LYS A 32 -12.145 0.604 -3.575 1.00 0.41 C ATOM 220 C LYS A 32 -11.949 1.173 -4.974 1.00 0.43 C ATOM 221 O LYS A 32 -11.008 1.915 -5.233 1.00 0.47 O ATOM 222 CB LYS A 32 -11.599 -0.821 -3.522 1.00 0.44 C ATOM 223 CG LYS A 32 -10.084 -0.886 -3.506 1.00 0.76 C ATOM 224 CD LYS A 32 -9.583 -2.211 -4.046 1.00 0.70 C ATOM 225 CE LYS A 32 -9.724 -2.269 -5.558 1.00 0.67 C ATOM 226 NZ LYS A 32 -8.800 -1.317 -6.237 1.00 1.15 N ATOM 0 H LYS A 32 -13.981 -0.304 -3.148 1.00 0.37 H new ATOM 0 HA LYS A 32 -11.606 1.211 -2.847 1.00 0.41 H new ATOM 0 HB2 LYS A 32 -11.986 -1.317 -2.632 1.00 0.44 H new ATOM 0 HB3 LYS A 32 -11.970 -1.376 -4.383 1.00 0.44 H new ATOM 0 HG2 LYS A 32 -9.677 -0.070 -4.103 1.00 0.76 H new ATOM 0 HG3 LYS A 32 -9.723 -0.746 -2.487 1.00 0.76 H new ATOM 0 HD2 LYS A 32 -8.538 -2.349 -3.769 1.00 0.70 H new ATOM 0 HD3 LYS A 32 -10.144 -3.028 -3.593 1.00 0.70 H new ATOM 0 HE2 LYS A 32 -9.520 -3.282 -5.903 1.00 0.67 H new ATOM 0 HE3 LYS A 32 -10.752 -2.038 -5.836 1.00 0.67 H new ATOM 0 HZ1 LYS A 32 -8.629 -1.635 -7.212 1.00 1.15 H new ATOM 0 HZ2 LYS A 32 -9.227 -0.369 -6.252 1.00 1.15 H new ATOM 0 HZ3 LYS A 32 -7.897 -1.282 -5.721 1.00 1.15 H new ATOM 240 N THR A 33 -12.871 0.832 -5.866 1.00 0.43 N ATOM 241 CA THR A 33 -12.844 1.323 -7.235 1.00 0.47 C ATOM 242 C THR A 33 -13.146 2.820 -7.255 1.00 0.47 C ATOM 243 O THR A 33 -12.405 3.603 -7.847 1.00 0.52 O ATOM 244 CB THR A 33 -13.868 0.566 -8.107 1.00 0.49 C ATOM 245 OG1 THR A 33 -13.646 -0.848 -8.004 1.00 0.50 O ATOM 246 CG2 THR A 33 -13.771 0.990 -9.566 1.00 0.57 C ATOM 0 H THR A 33 -13.654 0.211 -5.661 1.00 0.43 H new ATOM 0 HA THR A 33 -11.849 1.151 -7.646 1.00 0.47 H new ATOM 0 HB THR A 33 -14.866 0.811 -7.743 1.00 0.49 H new ATOM 0 HG1 THR A 33 -13.888 -1.152 -7.104 1.00 0.50 H new ATOM 0 HG21 THR A 33 -14.505 0.439 -10.155 1.00 0.57 H new ATOM 0 HG22 THR A 33 -13.968 2.059 -9.648 1.00 0.57 H new ATOM 0 HG23 THR A 33 -12.770 0.776 -9.941 1.00 0.57 H new ATOM 254 N GLN A 34 -14.236 3.203 -6.594 1.00 0.44 N ATOM 255 CA GLN A 34 -14.594 4.608 -6.424 1.00 0.46 C ATOM 256 C GLN A 34 -13.424 5.411 -5.861 1.00 0.46 C ATOM 257 O GLN A 34 -13.122 6.500 -6.336 1.00 0.51 O ATOM 258 CB GLN A 34 -15.791 4.740 -5.486 1.00 0.48 C ATOM 259 CG GLN A 34 -16.970 3.871 -5.888 1.00 0.50 C ATOM 260 CD GLN A 34 -18.195 4.042 -5.005 1.00 0.75 C ATOM 261 OE1 GLN A 34 -18.950 3.097 -4.800 1.00 1.50 O ATOM 262 NE2 GLN A 34 -18.420 5.241 -4.490 1.00 1.31 N ATOM 0 H GLN A 34 -14.892 2.552 -6.163 1.00 0.44 H new ATOM 0 HA GLN A 34 -14.852 5.005 -7.406 1.00 0.46 H new ATOM 0 HB2 GLN A 34 -15.482 4.475 -4.475 1.00 0.48 H new ATOM 0 HB3 GLN A 34 -16.109 5.782 -5.459 1.00 0.48 H new ATOM 0 HG2 GLN A 34 -17.243 4.101 -6.918 1.00 0.50 H new ATOM 0 HG3 GLN A 34 -16.662 2.826 -5.865 1.00 0.50 H new ATOM 0 HE21 GLN A 34 -17.773 6.007 -4.679 1.00 1.31 H new ATOM 0 HE22 GLN A 34 -19.240 5.399 -3.904 1.00 1.31 H new ATOM 271 N ALA A 35 -12.765 4.861 -4.850 1.00 0.43 N ATOM 272 CA ALA A 35 -11.645 5.537 -4.210 1.00 0.44 C ATOM 273 C ALA A 35 -10.453 5.661 -5.153 1.00 0.48 C ATOM 274 O ALA A 35 -9.686 6.622 -5.074 1.00 0.50 O ATOM 275 CB ALA A 35 -11.252 4.806 -2.945 1.00 0.42 C ATOM 0 H ALA A 35 -12.987 3.947 -4.455 1.00 0.43 H new ATOM 0 HA ALA A 35 -11.963 6.547 -3.951 1.00 0.44 H new ATOM 0 HB1 ALA A 35 -10.414 5.319 -2.474 1.00 0.42 H new ATOM 0 HB2 ALA A 35 -12.098 4.787 -2.258 1.00 0.42 H new ATOM 0 HB3 ALA A 35 -10.961 3.785 -3.191 1.00 0.42 H new ATOM 281 N ASN A 36 -10.303 4.697 -6.051 1.00 0.53 N ATOM 282 CA ASN A 36 -9.265 4.769 -7.076 1.00 0.61 C ATOM 283 C ASN A 36 -9.652 5.805 -8.122 1.00 0.63 C ATOM 284 O ASN A 36 -8.800 6.375 -8.800 1.00 0.67 O ATOM 285 CB ASN A 36 -9.032 3.399 -7.728 1.00 0.69 C ATOM 286 CG ASN A 36 -8.233 2.455 -6.842 1.00 1.28 C ATOM 287 OD1 ASN A 36 -8.245 2.571 -5.616 1.00 1.88 O ATOM 288 ND2 ASN A 36 -7.529 1.510 -7.454 1.00 2.01 N ATOM 0 H ASN A 36 -10.883 3.859 -6.093 1.00 0.53 H new ATOM 0 HA ASN A 36 -8.330 5.070 -6.604 1.00 0.61 H new ATOM 0 HB2 ASN A 36 -9.995 2.944 -7.961 1.00 0.69 H new ATOM 0 HB3 ASN A 36 -8.506 3.536 -8.673 1.00 0.69 H new ATOM 0 HD21 ASN A 36 -6.975 0.851 -6.906 1.00 2.01 H new ATOM 0 HD22 ASN A 36 -7.542 1.443 -8.472 1.00 2.01 H new ATOM 295 N ASP A 37 -10.948 6.058 -8.230 1.00 0.63 N ATOM 296 CA ASP A 37 -11.455 7.114 -9.096 1.00 0.68 C ATOM 297 C ASP A 37 -11.250 8.461 -8.426 1.00 0.65 C ATOM 298 O ASP A 37 -11.107 9.476 -9.092 1.00 0.68 O ATOM 299 CB ASP A 37 -12.936 6.889 -9.412 1.00 0.73 C ATOM 300 CG ASP A 37 -13.403 7.699 -10.602 1.00 0.90 C ATOM 301 OD1 ASP A 37 -13.821 8.859 -10.415 1.00 1.04 O ATOM 302 OD2 ASP A 37 -13.353 7.173 -11.733 1.00 1.05 O ATOM 0 H ASP A 37 -11.671 5.544 -7.727 1.00 0.63 H new ATOM 0 HA ASP A 37 -10.905 7.097 -10.037 1.00 0.68 H new ATOM 0 HB2 ASP A 37 -13.106 5.830 -9.608 1.00 0.73 H new ATOM 0 HB3 ASP A 37 -13.535 7.152 -8.540 1.00 0.73 H new ATOM 307 N TYR A 38 -11.223 8.464 -7.100 1.00 0.60 N ATOM 308 CA TYR A 38 -10.847 9.660 -6.362 1.00 0.58 C ATOM 309 C TYR A 38 -9.334 9.833 -6.381 1.00 0.57 C ATOM 310 O TYR A 38 -8.828 10.929 -6.184 1.00 0.57 O ATOM 311 CB TYR A 38 -11.378 9.629 -4.928 1.00 0.54 C ATOM 312 CG TYR A 38 -12.855 9.946 -4.832 1.00 0.56 C ATOM 313 CD1 TYR A 38 -13.295 11.260 -4.736 1.00 0.59 C ATOM 314 CD2 TYR A 38 -13.807 8.938 -4.857 1.00 0.63 C ATOM 315 CE1 TYR A 38 -14.642 11.558 -4.665 1.00 0.63 C ATOM 316 CE2 TYR A 38 -15.155 9.228 -4.793 1.00 0.67 C ATOM 317 CZ TYR A 38 -15.568 10.538 -4.696 1.00 0.65 C ATOM 318 OH TYR A 38 -16.912 10.829 -4.639 1.00 0.71 O ATOM 0 H TYR A 38 -11.455 7.659 -6.518 1.00 0.60 H new ATOM 0 HA TYR A 38 -11.304 10.519 -6.854 1.00 0.58 H new ATOM 0 HB2 TYR A 38 -11.196 8.643 -4.501 1.00 0.54 H new ATOM 0 HB3 TYR A 38 -10.819 10.345 -4.325 1.00 0.54 H new ATOM 0 HD1 TYR A 38 -12.572 12.062 -4.717 1.00 0.59 H new ATOM 0 HD2 TYR A 38 -13.488 7.909 -4.928 1.00 0.63 H new ATOM 0 HE1 TYR A 38 -14.968 12.585 -4.586 1.00 0.63 H new ATOM 0 HE2 TYR A 38 -15.883 8.431 -4.819 1.00 0.67 H new ATOM 0 HH TYR A 38 -17.429 9.997 -4.672 1.00 0.71 H new ATOM 328 N PHE A 39 -8.615 8.745 -6.623 1.00 0.57 N ATOM 329 CA PHE A 39 -7.189 8.820 -6.877 1.00 0.57 C ATOM 330 C PHE A 39 -6.965 9.499 -8.226 1.00 0.63 C ATOM 331 O PHE A 39 -6.100 10.362 -8.369 1.00 0.67 O ATOM 332 CB PHE A 39 -6.585 7.415 -6.868 1.00 0.58 C ATOM 333 CG PHE A 39 -5.090 7.389 -6.955 1.00 0.58 C ATOM 334 CD1 PHE A 39 -4.449 7.462 -8.179 1.00 0.70 C ATOM 335 CD2 PHE A 39 -4.325 7.283 -5.809 1.00 0.55 C ATOM 336 CE1 PHE A 39 -3.072 7.429 -8.257 1.00 0.73 C ATOM 337 CE2 PHE A 39 -2.950 7.248 -5.879 1.00 0.59 C ATOM 338 CZ PHE A 39 -2.320 7.323 -7.104 1.00 0.65 C ATOM 0 H PHE A 39 -9.000 7.801 -6.648 1.00 0.57 H new ATOM 0 HA PHE A 39 -6.699 9.403 -6.097 1.00 0.57 H new ATOM 0 HB2 PHE A 39 -6.894 6.905 -5.956 1.00 0.58 H new ATOM 0 HB3 PHE A 39 -6.996 6.849 -7.704 1.00 0.58 H new ATOM 0 HD1 PHE A 39 -5.033 7.546 -9.084 1.00 0.70 H new ATOM 0 HD2 PHE A 39 -4.812 7.227 -4.846 1.00 0.55 H new ATOM 0 HE1 PHE A 39 -2.583 7.486 -9.218 1.00 0.73 H new ATOM 0 HE2 PHE A 39 -2.365 7.162 -4.975 1.00 0.59 H new ATOM 0 HZ PHE A 39 -1.242 7.299 -7.161 1.00 0.65 H new ATOM 348 N LYS A 40 -7.768 9.098 -9.207 1.00 0.66 N ATOM 349 CA LYS A 40 -7.788 9.746 -10.514 1.00 0.74 C ATOM 350 C LYS A 40 -8.250 11.194 -10.374 1.00 0.73 C ATOM 351 O LYS A 40 -7.718 12.096 -11.021 1.00 0.79 O ATOM 352 CB LYS A 40 -8.733 8.994 -11.456 1.00 0.82 C ATOM 353 CG LYS A 40 -8.229 7.621 -11.877 1.00 1.18 C ATOM 354 CD LYS A 40 -9.360 6.738 -12.390 1.00 1.09 C ATOM 355 CE LYS A 40 -10.195 7.426 -13.461 1.00 1.56 C ATOM 356 NZ LYS A 40 -11.509 6.755 -13.647 1.00 2.26 N ATOM 0 H LYS A 40 -8.420 8.319 -9.119 1.00 0.66 H new ATOM 0 HA LYS A 40 -6.780 9.731 -10.928 1.00 0.74 H new ATOM 0 HB2 LYS A 40 -9.701 8.880 -10.967 1.00 0.82 H new ATOM 0 HB3 LYS A 40 -8.896 9.599 -12.348 1.00 0.82 H new ATOM 0 HG2 LYS A 40 -7.474 7.733 -12.655 1.00 1.18 H new ATOM 0 HG3 LYS A 40 -7.744 7.136 -11.030 1.00 1.18 H new ATOM 0 HD2 LYS A 40 -8.942 5.817 -12.795 1.00 1.09 H new ATOM 0 HD3 LYS A 40 -10.004 6.456 -11.557 1.00 1.09 H new ATOM 0 HE2 LYS A 40 -10.354 8.468 -13.185 1.00 1.56 H new ATOM 0 HE3 LYS A 40 -9.649 7.426 -14.404 1.00 1.56 H new ATOM 0 HZ1 LYS A 40 -11.838 6.900 -14.623 1.00 2.26 H new ATOM 0 HZ2 LYS A 40 -11.408 5.736 -13.464 1.00 2.26 H new ATOM 0 HZ3 LYS A 40 -12.202 7.159 -12.985 1.00 2.26 H new ATOM 370 N ALA A 41 -9.245 11.400 -9.516 1.00 0.68 N ATOM 371 CA ALA A 41 -9.781 12.729 -9.256 1.00 0.70 C ATOM 372 C ALA A 41 -8.811 13.562 -8.423 1.00 0.71 C ATOM 373 O ALA A 41 -8.987 14.772 -8.271 1.00 0.78 O ATOM 374 CB ALA A 41 -11.120 12.635 -8.547 1.00 0.68 C ATOM 0 H ALA A 41 -9.698 10.656 -8.986 1.00 0.68 H new ATOM 0 HA ALA A 41 -9.921 13.223 -10.218 1.00 0.70 H new ATOM 0 HB1 ALA A 41 -11.505 13.638 -8.361 1.00 0.68 H new ATOM 0 HB2 ALA A 41 -11.825 12.086 -9.172 1.00 0.68 H new ATOM 0 HB3 ALA A 41 -10.994 12.113 -7.598 1.00 0.68 H new ATOM 380 N LYS A 42 -7.804 12.887 -7.871 1.00 0.68 N ATOM 381 CA LYS A 42 -6.749 13.522 -7.085 1.00 0.70 C ATOM 382 C LYS A 42 -7.269 14.027 -5.742 1.00 0.66 C ATOM 383 O LYS A 42 -6.676 14.909 -5.117 1.00 0.70 O ATOM 384 CB LYS A 42 -6.086 14.636 -7.893 1.00 0.82 C ATOM 385 CG LYS A 42 -5.319 14.096 -9.084 1.00 0.96 C ATOM 386 CD LYS A 42 -4.681 15.194 -9.912 1.00 1.41 C ATOM 387 CE LYS A 42 -3.793 14.606 -10.997 1.00 1.57 C ATOM 388 NZ LYS A 42 -2.658 13.837 -10.419 1.00 2.30 N ATOM 0 H LYS A 42 -7.697 11.876 -7.958 1.00 0.68 H new ATOM 0 HA LYS A 42 -5.993 12.770 -6.860 1.00 0.70 H new ATOM 0 HB2 LYS A 42 -6.847 15.335 -8.239 1.00 0.82 H new ATOM 0 HB3 LYS A 42 -5.408 15.196 -7.249 1.00 0.82 H new ATOM 0 HG2 LYS A 42 -4.545 13.413 -8.734 1.00 0.96 H new ATOM 0 HG3 LYS A 42 -5.994 13.516 -9.714 1.00 0.96 H new ATOM 0 HD2 LYS A 42 -5.457 15.811 -10.366 1.00 1.41 H new ATOM 0 HD3 LYS A 42 -4.092 15.846 -9.267 1.00 1.41 H new ATOM 0 HE2 LYS A 42 -4.385 13.954 -11.639 1.00 1.57 H new ATOM 0 HE3 LYS A 42 -3.407 15.408 -11.626 1.00 1.57 H new ATOM 0 HZ1 LYS A 42 -1.906 13.741 -11.130 1.00 2.30 H new ATOM 0 HZ2 LYS A 42 -2.286 14.339 -9.587 1.00 2.30 H new ATOM 0 HZ3 LYS A 42 -2.988 12.893 -10.135 1.00 2.30 H new ATOM 402 N ASP A 43 -8.362 13.427 -5.294 1.00 0.61 N ATOM 403 CA ASP A 43 -8.888 13.666 -3.960 1.00 0.58 C ATOM 404 C ASP A 43 -8.593 12.449 -3.097 1.00 0.52 C ATOM 405 O ASP A 43 -9.397 11.515 -3.005 1.00 0.54 O ATOM 406 CB ASP A 43 -10.395 13.924 -3.995 1.00 0.61 C ATOM 407 CG ASP A 43 -10.927 14.466 -2.680 1.00 0.61 C ATOM 408 OD1 ASP A 43 -10.486 14.005 -1.601 1.00 0.60 O ATOM 409 OD2 ASP A 43 -11.806 15.347 -2.717 1.00 0.73 O ATOM 0 H ASP A 43 -8.907 12.763 -5.844 1.00 0.61 H new ATOM 0 HA ASP A 43 -8.409 14.553 -3.544 1.00 0.58 H new ATOM 0 HB2 ASP A 43 -10.620 14.632 -4.793 1.00 0.61 H new ATOM 0 HB3 ASP A 43 -10.913 12.996 -4.237 1.00 0.61 H new ATOM 414 N TYR A 44 -7.415 12.439 -2.504 1.00 0.48 N ATOM 415 CA TYR A 44 -6.957 11.301 -1.737 1.00 0.45 C ATOM 416 C TYR A 44 -7.661 11.209 -0.390 1.00 0.44 C ATOM 417 O TYR A 44 -7.672 10.150 0.228 1.00 0.43 O ATOM 418 CB TYR A 44 -5.445 11.401 -1.569 1.00 0.45 C ATOM 419 CG TYR A 44 -4.748 11.630 -2.889 1.00 0.48 C ATOM 420 CD1 TYR A 44 -4.647 10.608 -3.821 1.00 0.49 C ATOM 421 CD2 TYR A 44 -4.218 12.872 -3.216 1.00 0.57 C ATOM 422 CE1 TYR A 44 -4.037 10.812 -5.041 1.00 0.57 C ATOM 423 CE2 TYR A 44 -3.603 13.083 -4.433 1.00 0.65 C ATOM 424 CZ TYR A 44 -3.516 12.051 -5.342 1.00 0.64 C ATOM 425 OH TYR A 44 -2.911 12.261 -6.557 1.00 0.75 O ATOM 0 H TYR A 44 -6.754 13.215 -2.541 1.00 0.48 H new ATOM 0 HA TYR A 44 -7.203 10.385 -2.274 1.00 0.45 H new ATOM 0 HB2 TYR A 44 -5.208 12.217 -0.887 1.00 0.45 H new ATOM 0 HB3 TYR A 44 -5.069 10.485 -1.113 1.00 0.45 H new ATOM 0 HD1 TYR A 44 -5.053 9.635 -3.587 1.00 0.49 H new ATOM 0 HD2 TYR A 44 -4.288 13.684 -2.507 1.00 0.57 H new ATOM 0 HE1 TYR A 44 -3.968 10.005 -5.756 1.00 0.57 H new ATOM 0 HE2 TYR A 44 -3.192 14.053 -4.672 1.00 0.65 H new ATOM 0 HH TYR A 44 -2.599 13.188 -6.611 1.00 0.75 H new ATOM 435 N GLU A 45 -8.284 12.301 0.034 1.00 0.48 N ATOM 436 CA GLU A 45 -8.952 12.347 1.329 1.00 0.50 C ATOM 437 C GLU A 45 -10.299 11.694 1.273 1.00 0.46 C ATOM 438 O GLU A 45 -10.635 10.867 2.122 1.00 0.43 O ATOM 439 CB GLU A 45 -9.112 13.775 1.792 1.00 0.61 C ATOM 440 CG GLU A 45 -7.784 14.408 2.006 1.00 0.76 C ATOM 441 CD GLU A 45 -7.868 15.827 2.514 1.00 0.87 C ATOM 442 OE1 GLU A 45 -8.385 16.696 1.785 1.00 1.47 O ATOM 443 OE2 GLU A 45 -7.426 16.077 3.653 1.00 1.17 O ATOM 0 H GLU A 45 -8.341 13.168 -0.500 1.00 0.48 H new ATOM 0 HA GLU A 45 -8.327 11.801 2.036 1.00 0.50 H new ATOM 0 HB2 GLU A 45 -9.676 14.342 1.051 1.00 0.61 H new ATOM 0 HB3 GLU A 45 -9.686 13.800 2.718 1.00 0.61 H new ATOM 0 HG2 GLU A 45 -7.215 13.809 2.717 1.00 0.76 H new ATOM 0 HG3 GLU A 45 -7.230 14.399 1.067 1.00 0.76 H new ATOM 450 N ASN A 46 -11.089 12.070 0.288 1.00 0.48 N ATOM 451 CA ASN A 46 -12.364 11.441 0.133 1.00 0.48 C ATOM 452 C ASN A 46 -12.165 9.977 -0.217 1.00 0.43 C ATOM 453 O ASN A 46 -12.946 9.120 0.183 1.00 0.43 O ATOM 454 CB ASN A 46 -13.241 12.134 -0.914 1.00 0.53 C ATOM 455 CG ASN A 46 -13.926 13.375 -0.372 1.00 0.60 C ATOM 456 OD1 ASN A 46 -14.982 13.284 0.252 1.00 0.66 O ATOM 457 ND2 ASN A 46 -13.353 14.538 -0.627 1.00 0.63 N ATOM 0 H ASN A 46 -10.869 12.792 -0.398 1.00 0.48 H new ATOM 0 HA ASN A 46 -12.894 11.526 1.082 1.00 0.48 H new ATOM 0 HB2 ASN A 46 -12.628 12.408 -1.773 1.00 0.53 H new ATOM 0 HB3 ASN A 46 -13.996 11.434 -1.272 1.00 0.53 H new ATOM 0 HD21 ASN A 46 -13.787 15.402 -0.303 1.00 0.63 H new ATOM 0 HD22 ASN A 46 -12.477 14.571 -1.148 1.00 0.63 H new ATOM 464 N ALA A 47 -11.089 9.695 -0.942 1.00 0.41 N ATOM 465 CA ALA A 47 -10.702 8.325 -1.234 1.00 0.38 C ATOM 466 C ALA A 47 -10.427 7.561 0.061 1.00 0.34 C ATOM 467 O ALA A 47 -10.892 6.435 0.227 1.00 0.32 O ATOM 468 CB ALA A 47 -9.484 8.303 -2.138 1.00 0.40 C ATOM 0 H ALA A 47 -10.469 10.401 -1.338 1.00 0.41 H new ATOM 0 HA ALA A 47 -11.525 7.833 -1.753 1.00 0.38 H new ATOM 0 HB1 ALA A 47 -9.206 7.270 -2.348 1.00 0.40 H new ATOM 0 HB2 ALA A 47 -9.715 8.814 -3.073 1.00 0.40 H new ATOM 0 HB3 ALA A 47 -8.655 8.809 -1.644 1.00 0.40 H new ATOM 474 N ILE A 48 -9.677 8.193 0.973 1.00 0.34 N ATOM 475 CA ILE A 48 -9.439 7.655 2.318 1.00 0.32 C ATOM 476 C ILE A 48 -10.752 7.190 2.943 1.00 0.29 C ATOM 477 O ILE A 48 -10.852 6.088 3.482 1.00 0.28 O ATOM 478 CB ILE A 48 -8.787 8.729 3.233 1.00 0.35 C ATOM 479 CG1 ILE A 48 -7.317 8.930 2.872 1.00 0.37 C ATOM 480 CG2 ILE A 48 -8.920 8.373 4.706 1.00 0.39 C ATOM 481 CD1 ILE A 48 -6.655 10.067 3.621 1.00 0.42 C ATOM 0 H ILE A 48 -9.220 9.088 0.800 1.00 0.34 H new ATOM 0 HA ILE A 48 -8.760 6.807 2.226 1.00 0.32 H new ATOM 0 HB ILE A 48 -9.323 9.663 3.064 1.00 0.35 H new ATOM 0 HG12 ILE A 48 -6.773 8.008 3.075 1.00 0.37 H new ATOM 0 HG13 ILE A 48 -7.238 9.117 1.801 1.00 0.37 H new ATOM 0 HG21 ILE A 48 -8.452 9.149 5.312 1.00 0.39 H new ATOM 0 HG22 ILE A 48 -9.975 8.296 4.968 1.00 0.39 H new ATOM 0 HG23 ILE A 48 -8.429 7.419 4.895 1.00 0.39 H new ATOM 0 HD11 ILE A 48 -5.613 10.148 3.312 1.00 0.42 H new ATOM 0 HD12 ILE A 48 -7.173 11.000 3.399 1.00 0.42 H new ATOM 0 HD13 ILE A 48 -6.701 9.873 4.693 1.00 0.42 H new ATOM 493 N LYS A 49 -11.755 8.042 2.818 1.00 0.31 N ATOM 494 CA LYS A 49 -13.081 7.783 3.349 1.00 0.32 C ATOM 495 C LYS A 49 -13.703 6.537 2.721 1.00 0.27 C ATOM 496 O LYS A 49 -14.224 5.677 3.426 1.00 0.27 O ATOM 497 CB LYS A 49 -13.955 9.009 3.093 1.00 0.39 C ATOM 498 CG LYS A 49 -15.418 8.837 3.451 1.00 0.44 C ATOM 499 CD LYS A 49 -16.165 10.147 3.261 1.00 0.63 C ATOM 500 CE LYS A 49 -16.451 10.419 1.794 1.00 1.02 C ATOM 501 NZ LYS A 49 -17.178 11.700 1.602 1.00 1.50 N ATOM 0 H LYS A 49 -11.671 8.940 2.341 1.00 0.31 H new ATOM 0 HA LYS A 49 -13.006 7.595 4.420 1.00 0.32 H new ATOM 0 HB2 LYS A 49 -13.553 9.848 3.661 1.00 0.39 H new ATOM 0 HB3 LYS A 49 -13.883 9.274 2.038 1.00 0.39 H new ATOM 0 HG2 LYS A 49 -15.864 8.063 2.827 1.00 0.44 H new ATOM 0 HG3 LYS A 49 -15.510 8.505 4.485 1.00 0.44 H new ATOM 0 HD2 LYS A 49 -17.103 10.116 3.816 1.00 0.63 H new ATOM 0 HD3 LYS A 49 -15.577 10.966 3.676 1.00 0.63 H new ATOM 0 HE2 LYS A 49 -15.513 10.447 1.240 1.00 1.02 H new ATOM 0 HE3 LYS A 49 -17.041 9.601 1.381 1.00 1.02 H new ATOM 0 HZ1 LYS A 49 -18.017 11.538 1.009 1.00 1.50 H new ATOM 0 HZ2 LYS A 49 -17.475 12.073 2.526 1.00 1.50 H new ATOM 0 HZ3 LYS A 49 -16.552 12.388 1.136 1.00 1.50 H new ATOM 515 N PHE A 50 -13.635 6.437 1.398 1.00 0.27 N ATOM 516 CA PHE A 50 -14.239 5.311 0.686 1.00 0.27 C ATOM 517 C PHE A 50 -13.511 4.001 0.978 1.00 0.23 C ATOM 518 O PHE A 50 -14.121 2.932 0.967 1.00 0.25 O ATOM 519 CB PHE A 50 -14.291 5.583 -0.819 1.00 0.35 C ATOM 520 CG PHE A 50 -15.376 6.551 -1.204 1.00 0.43 C ATOM 521 CD1 PHE A 50 -15.141 7.914 -1.213 1.00 0.71 C ATOM 522 CD2 PHE A 50 -16.635 6.094 -1.547 1.00 0.56 C ATOM 523 CE1 PHE A 50 -16.140 8.804 -1.554 1.00 0.81 C ATOM 524 CE2 PHE A 50 -17.640 6.978 -1.891 1.00 0.65 C ATOM 525 CZ PHE A 50 -17.392 8.334 -1.895 1.00 0.66 C ATOM 0 H PHE A 50 -13.170 7.118 0.797 1.00 0.27 H new ATOM 0 HA PHE A 50 -15.261 5.204 1.051 1.00 0.27 H new ATOM 0 HB2 PHE A 50 -13.328 5.976 -1.145 1.00 0.35 H new ATOM 0 HB3 PHE A 50 -14.446 4.642 -1.347 1.00 0.35 H new ATOM 0 HD1 PHE A 50 -14.162 8.287 -0.950 1.00 0.71 H new ATOM 0 HD2 PHE A 50 -16.836 5.033 -1.546 1.00 0.56 H new ATOM 0 HE1 PHE A 50 -15.942 9.866 -1.554 1.00 0.81 H new ATOM 0 HE2 PHE A 50 -18.619 6.607 -2.156 1.00 0.65 H new ATOM 0 HZ PHE A 50 -18.175 9.027 -2.164 1.00 0.66 H new ATOM 535 N TYR A 51 -12.216 4.079 1.253 1.00 0.23 N ATOM 536 CA TYR A 51 -11.468 2.897 1.666 1.00 0.25 C ATOM 537 C TYR A 51 -11.969 2.416 3.025 1.00 0.21 C ATOM 538 O TYR A 51 -12.232 1.227 3.220 1.00 0.23 O ATOM 539 CB TYR A 51 -9.964 3.176 1.747 1.00 0.31 C ATOM 540 CG TYR A 51 -9.291 3.471 0.424 1.00 0.43 C ATOM 541 CD1 TYR A 51 -9.413 2.606 -0.659 1.00 0.53 C ATOM 542 CD2 TYR A 51 -8.523 4.615 0.262 1.00 0.51 C ATOM 543 CE1 TYR A 51 -8.787 2.878 -1.862 1.00 0.67 C ATOM 544 CE2 TYR A 51 -7.896 4.891 -0.934 1.00 0.65 C ATOM 545 CZ TYR A 51 -8.030 4.024 -1.992 1.00 0.72 C ATOM 546 OH TYR A 51 -7.397 4.301 -3.182 1.00 0.88 O ATOM 0 H TYR A 51 -11.666 4.936 1.199 1.00 0.23 H new ATOM 0 HA TYR A 51 -11.628 2.125 0.914 1.00 0.25 H new ATOM 0 HB2 TYR A 51 -9.803 4.022 2.415 1.00 0.31 H new ATOM 0 HB3 TYR A 51 -9.475 2.314 2.201 1.00 0.31 H new ATOM 0 HD1 TYR A 51 -10.005 1.709 -0.559 1.00 0.53 H new ATOM 0 HD2 TYR A 51 -8.414 5.302 1.088 1.00 0.51 H new ATOM 0 HE1 TYR A 51 -8.890 2.198 -2.694 1.00 0.67 H new ATOM 0 HE2 TYR A 51 -7.301 5.786 -1.040 1.00 0.65 H new ATOM 0 HH TYR A 51 -7.745 3.711 -3.883 1.00 0.88 H new ATOM 556 N SER A 52 -12.120 3.352 3.954 1.00 0.20 N ATOM 557 CA SER A 52 -12.603 3.031 5.286 1.00 0.22 C ATOM 558 C SER A 52 -14.016 2.469 5.196 1.00 0.22 C ATOM 559 O SER A 52 -14.358 1.504 5.875 1.00 0.23 O ATOM 560 CB SER A 52 -12.575 4.278 6.170 1.00 0.25 C ATOM 561 OG SER A 52 -11.274 4.845 6.208 1.00 0.56 O ATOM 0 H SER A 52 -11.914 4.340 3.807 1.00 0.20 H new ATOM 0 HA SER A 52 -11.953 2.279 5.734 1.00 0.22 H new ATOM 0 HB2 SER A 52 -13.285 5.013 5.791 1.00 0.25 H new ATOM 0 HB3 SER A 52 -12.893 4.019 7.180 1.00 0.25 H new ATOM 0 HG SER A 52 -11.087 5.293 5.357 1.00 0.56 H new ATOM 567 N GLN A 53 -14.813 3.063 4.313 1.00 0.24 N ATOM 568 CA GLN A 53 -16.178 2.618 4.076 1.00 0.27 C ATOM 569 C GLN A 53 -16.215 1.173 3.566 1.00 0.26 C ATOM 570 O GLN A 53 -17.144 0.424 3.869 1.00 0.30 O ATOM 571 CB GLN A 53 -16.867 3.561 3.089 1.00 0.31 C ATOM 572 CG GLN A 53 -17.282 4.881 3.713 1.00 0.37 C ATOM 573 CD GLN A 53 -18.066 5.758 2.756 1.00 0.49 C ATOM 574 OE1 GLN A 53 -18.723 5.266 1.839 1.00 1.12 O ATOM 575 NE2 GLN A 53 -18.033 7.059 2.986 1.00 0.94 N ATOM 0 H GLN A 53 -14.531 3.862 3.745 1.00 0.24 H new ATOM 0 HA GLN A 53 -16.716 2.641 5.023 1.00 0.27 H new ATOM 0 HB2 GLN A 53 -16.194 3.757 2.254 1.00 0.31 H new ATOM 0 HB3 GLN A 53 -17.748 3.067 2.680 1.00 0.31 H new ATOM 0 HG2 GLN A 53 -17.886 4.686 4.599 1.00 0.37 H new ATOM 0 HG3 GLN A 53 -16.393 5.417 4.045 1.00 0.37 H new ATOM 0 HE21 GLN A 53 -17.475 7.427 3.757 1.00 0.94 H new ATOM 0 HE22 GLN A 53 -18.565 7.695 2.393 1.00 0.94 H new ATOM 584 N ALA A 54 -15.196 0.780 2.812 1.00 0.23 N ATOM 585 CA ALA A 54 -15.080 -0.595 2.339 1.00 0.24 C ATOM 586 C ALA A 54 -14.817 -1.542 3.507 1.00 0.23 C ATOM 587 O ALA A 54 -15.237 -2.699 3.496 1.00 0.25 O ATOM 588 CB ALA A 54 -13.972 -0.705 1.300 1.00 0.25 C ATOM 0 H ALA A 54 -14.437 1.394 2.514 1.00 0.23 H new ATOM 0 HA ALA A 54 -16.022 -0.882 1.871 1.00 0.24 H new ATOM 0 HB1 ALA A 54 -13.897 -1.737 0.956 1.00 0.25 H new ATOM 0 HB2 ALA A 54 -14.200 -0.056 0.454 1.00 0.25 H new ATOM 0 HB3 ALA A 54 -13.025 -0.401 1.745 1.00 0.25 H new ATOM 594 N ILE A 55 -14.136 -1.024 4.520 1.00 0.22 N ATOM 595 CA ILE A 55 -13.822 -1.785 5.730 1.00 0.22 C ATOM 596 C ILE A 55 -14.982 -1.692 6.722 1.00 0.24 C ATOM 597 O ILE A 55 -14.971 -2.288 7.802 1.00 0.27 O ATOM 598 CB ILE A 55 -12.532 -1.258 6.386 1.00 0.23 C ATOM 599 CG1 ILE A 55 -11.436 -1.138 5.333 1.00 0.24 C ATOM 600 CG2 ILE A 55 -12.076 -2.180 7.509 1.00 0.27 C ATOM 601 CD1 ILE A 55 -10.398 -0.110 5.682 1.00 0.28 C ATOM 0 H ILE A 55 -13.784 -0.067 4.530 1.00 0.22 H new ATOM 0 HA ILE A 55 -13.669 -2.827 5.450 1.00 0.22 H new ATOM 0 HB ILE A 55 -12.736 -0.277 6.814 1.00 0.23 H new ATOM 0 HG12 ILE A 55 -10.952 -2.107 5.208 1.00 0.24 H new ATOM 0 HG13 ILE A 55 -11.887 -0.880 4.375 1.00 0.24 H new ATOM 0 HG21 ILE A 55 -11.163 -1.786 7.956 1.00 0.27 H new ATOM 0 HG22 ILE A 55 -12.855 -2.241 8.269 1.00 0.27 H new ATOM 0 HG23 ILE A 55 -11.883 -3.175 7.107 1.00 0.27 H new ATOM 0 HD11 ILE A 55 -9.645 -0.071 4.895 1.00 0.28 H new ATOM 0 HD12 ILE A 55 -10.872 0.867 5.780 1.00 0.28 H new ATOM 0 HD13 ILE A 55 -9.923 -0.379 6.625 1.00 0.28 H new ATOM 613 N GLU A 56 -15.977 -0.918 6.356 1.00 0.27 N ATOM 614 CA GLU A 56 -17.228 -0.901 7.091 1.00 0.31 C ATOM 615 C GLU A 56 -18.134 -1.989 6.543 1.00 0.31 C ATOM 616 O GLU A 56 -18.948 -2.569 7.261 1.00 0.34 O ATOM 617 CB GLU A 56 -17.884 0.469 6.951 1.00 0.34 C ATOM 618 CG GLU A 56 -16.965 1.600 7.356 1.00 0.36 C ATOM 619 CD GLU A 56 -16.935 1.817 8.854 1.00 0.45 C ATOM 620 OE1 GLU A 56 -16.300 1.015 9.566 1.00 0.81 O ATOM 621 OE2 GLU A 56 -17.568 2.784 9.329 1.00 0.78 O ATOM 0 H GLU A 56 -15.948 -0.290 5.553 1.00 0.27 H new ATOM 0 HA GLU A 56 -17.046 -1.088 8.149 1.00 0.31 H new ATOM 0 HB2 GLU A 56 -18.197 0.613 5.917 1.00 0.34 H new ATOM 0 HB3 GLU A 56 -18.785 0.501 7.564 1.00 0.34 H new ATOM 0 HG2 GLU A 56 -15.956 1.388 7.003 1.00 0.36 H new ATOM 0 HG3 GLU A 56 -17.287 2.519 6.866 1.00 0.36 H new ATOM 628 N LEU A 57 -17.962 -2.271 5.262 1.00 0.31 N ATOM 629 CA LEU A 57 -18.722 -3.308 4.593 1.00 0.33 C ATOM 630 C LEU A 57 -18.104 -4.676 4.871 1.00 0.33 C ATOM 631 O LEU A 57 -18.757 -5.544 5.446 1.00 0.40 O ATOM 632 CB LEU A 57 -18.781 -3.017 3.097 1.00 0.34 C ATOM 633 CG LEU A 57 -19.256 -1.602 2.752 1.00 0.35 C ATOM 634 CD1 LEU A 57 -19.190 -1.359 1.267 1.00 0.37 C ATOM 635 CD2 LEU A 57 -20.666 -1.362 3.264 1.00 0.40 C ATOM 0 H LEU A 57 -17.294 -1.789 4.661 1.00 0.31 H new ATOM 0 HA LEU A 57 -19.741 -3.320 4.979 1.00 0.33 H new ATOM 0 HB2 LEU A 57 -17.790 -3.170 2.669 1.00 0.34 H new ATOM 0 HB3 LEU A 57 -19.448 -3.738 2.624 1.00 0.34 H new ATOM 0 HG LEU A 57 -18.587 -0.898 3.246 1.00 0.35 H new ATOM 0 HD11 LEU A 57 -19.532 -0.348 1.048 1.00 0.37 H new ATOM 0 HD12 LEU A 57 -18.162 -1.476 0.925 1.00 0.37 H new ATOM 0 HD13 LEU A 57 -19.828 -2.077 0.752 1.00 0.37 H new ATOM 0 HD21 LEU A 57 -20.979 -0.350 3.006 1.00 0.40 H new ATOM 0 HD22 LEU A 57 -21.346 -2.080 2.807 1.00 0.40 H new ATOM 0 HD23 LEU A 57 -20.685 -1.483 4.347 1.00 0.40 H new ATOM 647 N ASN A 58 -16.838 -4.856 4.504 1.00 0.29 N ATOM 648 CA ASN A 58 -16.117 -6.073 4.861 1.00 0.30 C ATOM 649 C ASN A 58 -15.188 -5.684 6.003 1.00 0.30 C ATOM 650 O ASN A 58 -15.088 -4.507 6.302 1.00 0.34 O ATOM 651 CB ASN A 58 -15.317 -6.545 3.627 1.00 0.35 C ATOM 652 CG ASN A 58 -14.927 -8.012 3.654 1.00 0.59 C ATOM 653 OD1 ASN A 58 -15.655 -8.861 4.166 1.00 1.53 O ATOM 654 ND2 ASN A 58 -13.772 -8.320 3.088 1.00 0.57 N ATOM 0 H ASN A 58 -16.295 -4.182 3.965 1.00 0.29 H new ATOM 0 HA ASN A 58 -16.775 -6.887 5.166 1.00 0.30 H new ATOM 0 HB2 ASN A 58 -15.909 -6.356 2.732 1.00 0.35 H new ATOM 0 HB3 ASN A 58 -14.412 -5.943 3.544 1.00 0.35 H new ATOM 0 HD21 ASN A 58 -13.458 -9.290 3.066 1.00 0.57 H new ATOM 0 HD22 ASN A 58 -13.196 -7.587 2.674 1.00 0.57 H new ATOM 661 N PRO A 59 -14.509 -6.607 6.675 1.00 0.31 N ATOM 662 CA PRO A 59 -13.475 -6.244 7.625 1.00 0.35 C ATOM 663 C PRO A 59 -12.040 -6.513 7.158 1.00 0.35 C ATOM 664 O PRO A 59 -11.364 -5.618 6.649 1.00 0.35 O ATOM 665 CB PRO A 59 -13.868 -7.108 8.811 1.00 0.41 C ATOM 666 CG PRO A 59 -14.475 -8.353 8.213 1.00 0.41 C ATOM 667 CD PRO A 59 -14.827 -8.027 6.775 1.00 0.34 C ATOM 0 HA PRO A 59 -13.437 -5.172 7.818 1.00 0.35 H new ATOM 0 HB2 PRO A 59 -13.001 -7.350 9.426 1.00 0.41 H new ATOM 0 HB3 PRO A 59 -14.581 -6.592 9.454 1.00 0.41 H new ATOM 0 HG2 PRO A 59 -13.772 -9.185 8.259 1.00 0.41 H new ATOM 0 HG3 PRO A 59 -15.363 -8.654 8.769 1.00 0.41 H new ATOM 0 HD2 PRO A 59 -14.244 -8.622 6.072 1.00 0.34 H new ATOM 0 HD3 PRO A 59 -15.878 -8.221 6.562 1.00 0.34 H new ATOM 675 N SER A 60 -11.585 -7.747 7.329 1.00 0.44 N ATOM 676 CA SER A 60 -10.197 -8.102 7.100 1.00 0.49 C ATOM 677 C SER A 60 -9.873 -8.249 5.617 1.00 0.49 C ATOM 678 O SER A 60 -9.927 -9.346 5.055 1.00 0.68 O ATOM 679 CB SER A 60 -9.873 -9.389 7.855 1.00 0.63 C ATOM 680 OG SER A 60 -11.033 -10.193 8.004 1.00 1.52 O ATOM 0 H SER A 60 -12.169 -8.527 7.630 1.00 0.44 H new ATOM 0 HA SER A 60 -9.575 -7.289 7.475 1.00 0.49 H new ATOM 0 HB2 SER A 60 -9.105 -9.947 7.319 1.00 0.63 H new ATOM 0 HB3 SER A 60 -9.465 -9.147 8.836 1.00 0.63 H new ATOM 0 HG SER A 60 -10.803 -11.013 8.489 1.00 1.52 H new ATOM 686 N ASN A 61 -9.576 -7.129 4.980 1.00 0.43 N ATOM 687 CA ASN A 61 -9.124 -7.135 3.602 1.00 0.45 C ATOM 688 C ASN A 61 -7.798 -6.401 3.483 1.00 0.38 C ATOM 689 O ASN A 61 -7.748 -5.172 3.598 1.00 0.34 O ATOM 690 CB ASN A 61 -10.153 -6.485 2.686 1.00 0.48 C ATOM 691 CG ASN A 61 -9.833 -6.702 1.220 1.00 0.79 C ATOM 692 OD1 ASN A 61 -9.116 -5.914 0.610 1.00 1.76 O ATOM 693 ND2 ASN A 61 -10.355 -7.774 0.648 1.00 1.07 N ATOM 0 H ASN A 61 -9.641 -6.201 5.399 1.00 0.43 H new ATOM 0 HA ASN A 61 -8.993 -8.173 3.295 1.00 0.45 H new ATOM 0 HB2 ASN A 61 -11.140 -6.892 2.905 1.00 0.48 H new ATOM 0 HB3 ASN A 61 -10.196 -5.416 2.892 1.00 0.48 H new ATOM 0 HD21 ASN A 61 -10.167 -7.970 -0.335 1.00 1.07 H new ATOM 0 HD22 ASN A 61 -10.946 -8.404 1.190 1.00 1.07 H new ATOM 700 N ALA A 62 -6.734 -7.164 3.261 1.00 0.42 N ATOM 701 CA ALA A 62 -5.380 -6.622 3.134 1.00 0.42 C ATOM 702 C ALA A 62 -5.328 -5.468 2.142 1.00 0.37 C ATOM 703 O ALA A 62 -4.652 -4.463 2.368 1.00 0.38 O ATOM 704 CB ALA A 62 -4.431 -7.725 2.692 1.00 0.52 C ATOM 0 H ALA A 62 -6.783 -8.178 3.163 1.00 0.42 H new ATOM 0 HA ALA A 62 -5.076 -6.238 4.108 1.00 0.42 H new ATOM 0 HB1 ALA A 62 -3.423 -7.321 2.597 1.00 0.52 H new ATOM 0 HB2 ALA A 62 -4.434 -8.525 3.432 1.00 0.52 H new ATOM 0 HB3 ALA A 62 -4.755 -8.120 1.729 1.00 0.52 H new ATOM 710 N ILE A 63 -6.070 -5.611 1.057 1.00 0.36 N ATOM 711 CA ILE A 63 -6.067 -4.634 -0.014 1.00 0.35 C ATOM 712 C ILE A 63 -6.673 -3.304 0.424 1.00 0.31 C ATOM 713 O ILE A 63 -6.128 -2.248 0.119 1.00 0.34 O ATOM 714 CB ILE A 63 -6.806 -5.184 -1.253 1.00 0.43 C ATOM 715 CG1 ILE A 63 -5.963 -6.286 -1.897 1.00 0.57 C ATOM 716 CG2 ILE A 63 -7.114 -4.078 -2.251 1.00 0.49 C ATOM 717 CD1 ILE A 63 -4.609 -5.800 -2.348 1.00 0.74 C ATOM 0 H ILE A 63 -6.689 -6.406 0.896 1.00 0.36 H new ATOM 0 HA ILE A 63 -5.026 -4.446 -0.279 1.00 0.35 H new ATOM 0 HB ILE A 63 -7.761 -5.603 -0.936 1.00 0.43 H new ATOM 0 HG12 ILE A 63 -5.832 -7.100 -1.184 1.00 0.57 H new ATOM 0 HG13 ILE A 63 -6.500 -6.695 -2.753 1.00 0.57 H new ATOM 0 HG21 ILE A 63 -7.634 -4.499 -3.111 1.00 0.49 H new ATOM 0 HG22 ILE A 63 -7.745 -3.326 -1.777 1.00 0.49 H new ATOM 0 HG23 ILE A 63 -6.183 -3.616 -2.580 1.00 0.49 H new ATOM 0 HD11 ILE A 63 -4.057 -6.626 -2.797 1.00 0.74 H new ATOM 0 HD12 ILE A 63 -4.734 -5.005 -3.083 1.00 0.74 H new ATOM 0 HD13 ILE A 63 -4.056 -5.417 -1.490 1.00 0.74 H new ATOM 729 N TYR A 64 -7.772 -3.349 1.165 1.00 0.29 N ATOM 730 CA TYR A 64 -8.444 -2.120 1.574 1.00 0.28 C ATOM 731 C TYR A 64 -7.596 -1.372 2.590 1.00 0.30 C ATOM 732 O TYR A 64 -7.540 -0.141 2.586 1.00 0.34 O ATOM 733 CB TYR A 64 -9.831 -2.410 2.150 1.00 0.26 C ATOM 734 CG TYR A 64 -10.755 -3.116 1.183 1.00 0.26 C ATOM 735 CD1 TYR A 64 -10.566 -3.019 -0.191 1.00 0.28 C ATOM 736 CD2 TYR A 64 -11.803 -3.902 1.644 1.00 0.38 C ATOM 737 CE1 TYR A 64 -11.395 -3.680 -1.073 1.00 0.30 C ATOM 738 CE2 TYR A 64 -12.631 -4.573 0.768 1.00 0.43 C ATOM 739 CZ TYR A 64 -12.421 -4.458 -0.590 1.00 0.35 C ATOM 740 OH TYR A 64 -13.233 -5.133 -1.469 1.00 0.42 O ATOM 0 H TYR A 64 -8.213 -4.209 1.492 1.00 0.29 H new ATOM 0 HA TYR A 64 -8.573 -1.496 0.690 1.00 0.28 H new ATOM 0 HB2 TYR A 64 -9.722 -3.021 3.046 1.00 0.26 H new ATOM 0 HB3 TYR A 64 -10.291 -1.471 2.458 1.00 0.26 H new ATOM 0 HD1 TYR A 64 -9.756 -2.416 -0.574 1.00 0.28 H new ATOM 0 HD2 TYR A 64 -11.973 -3.989 2.707 1.00 0.38 H new ATOM 0 HE1 TYR A 64 -11.239 -3.587 -2.138 1.00 0.30 H new ATOM 0 HE2 TYR A 64 -13.438 -5.184 1.143 1.00 0.43 H new ATOM 0 HH TYR A 64 -13.908 -5.638 -0.969 1.00 0.42 H new ATOM 750 N TYR A 65 -6.916 -2.125 3.445 1.00 0.30 N ATOM 751 CA TYR A 65 -6.003 -1.537 4.412 1.00 0.32 C ATOM 752 C TYR A 65 -4.776 -0.968 3.712 1.00 0.33 C ATOM 753 O TYR A 65 -4.366 0.159 3.990 1.00 0.37 O ATOM 754 CB TYR A 65 -5.603 -2.562 5.476 1.00 0.34 C ATOM 755 CG TYR A 65 -6.573 -2.621 6.635 1.00 0.36 C ATOM 756 CD1 TYR A 65 -7.790 -3.287 6.529 1.00 0.37 C ATOM 757 CD2 TYR A 65 -6.274 -1.988 7.833 1.00 0.51 C ATOM 758 CE1 TYR A 65 -8.679 -3.318 7.585 1.00 0.40 C ATOM 759 CE2 TYR A 65 -7.156 -2.018 8.895 1.00 0.58 C ATOM 760 CZ TYR A 65 -8.354 -2.685 8.767 1.00 0.47 C ATOM 761 OH TYR A 65 -9.237 -2.702 9.823 1.00 0.55 O ATOM 0 H TYR A 65 -6.980 -3.142 3.487 1.00 0.30 H new ATOM 0 HA TYR A 65 -6.517 -0.718 4.915 1.00 0.32 H new ATOM 0 HB2 TYR A 65 -5.535 -3.548 5.016 1.00 0.34 H new ATOM 0 HB3 TYR A 65 -4.610 -2.317 5.853 1.00 0.34 H new ATOM 0 HD1 TYR A 65 -8.043 -3.788 5.606 1.00 0.37 H new ATOM 0 HD2 TYR A 65 -5.336 -1.463 7.937 1.00 0.51 H new ATOM 0 HE1 TYR A 65 -9.622 -3.834 7.486 1.00 0.40 H new ATOM 0 HE2 TYR A 65 -6.908 -1.521 9.821 1.00 0.58 H new ATOM 0 HH TYR A 65 -8.853 -2.211 10.579 1.00 0.55 H new ATOM 771 N GLY A 66 -4.214 -1.733 2.780 1.00 0.35 N ATOM 772 CA GLY A 66 -3.082 -1.257 2.006 1.00 0.41 C ATOM 773 C GLY A 66 -3.440 -0.059 1.144 1.00 0.43 C ATOM 774 O GLY A 66 -2.606 0.811 0.891 1.00 0.51 O ATOM 0 H GLY A 66 -4.524 -2.676 2.547 1.00 0.35 H new ATOM 0 HA2 GLY A 66 -2.270 -0.987 2.681 1.00 0.41 H new ATOM 0 HA3 GLY A 66 -2.714 -2.063 1.371 1.00 0.41 H new ATOM 778 N ASN A 67 -4.686 -0.018 0.691 1.00 0.44 N ATOM 779 CA ASN A 67 -5.182 1.106 -0.091 1.00 0.57 C ATOM 780 C ASN A 67 -5.340 2.340 0.783 1.00 0.41 C ATOM 781 O ASN A 67 -5.054 3.456 0.342 1.00 0.38 O ATOM 782 CB ASN A 67 -6.507 0.757 -0.768 1.00 0.84 C ATOM 783 CG ASN A 67 -6.322 0.062 -2.108 1.00 1.28 C ATOM 784 OD1 ASN A 67 -5.224 -0.663 -2.266 1.00 2.28 O flip ATOM 785 ND2 ASN A 67 -7.158 0.182 -3.000 1.00 1.35 N flip ATOM 0 H ASN A 67 -5.374 -0.754 0.853 1.00 0.44 H new ATOM 0 HA ASN A 67 -4.450 1.325 -0.868 1.00 0.57 H new ATOM 0 HB2 ASN A 67 -7.088 0.113 -0.108 1.00 0.84 H new ATOM 0 HB3 ASN A 67 -7.086 1.669 -0.914 1.00 0.84 H new ATOM 0 HD21 ASN A 67 -7.992 0.748 -2.844 1.00 1.35 H new ATOM 0 HD22 ASN A 67 -7.018 -0.284 -3.896 1.00 1.35 H new ATOM 792 N ARG A 68 -5.790 2.148 2.024 1.00 0.39 N ATOM 793 CA ARG A 68 -5.820 3.247 2.978 1.00 0.39 C ATOM 794 C ARG A 68 -4.410 3.762 3.204 1.00 0.31 C ATOM 795 O ARG A 68 -4.170 4.966 3.131 1.00 0.32 O ATOM 796 CB ARG A 68 -6.454 2.849 4.317 1.00 0.53 C ATOM 797 CG ARG A 68 -7.952 3.111 4.378 1.00 0.80 C ATOM 798 CD ARG A 68 -8.398 3.545 5.771 1.00 0.48 C ATOM 799 NE ARG A 68 -8.374 2.451 6.744 1.00 0.94 N ATOM 800 CZ ARG A 68 -7.580 2.424 7.816 1.00 1.16 C ATOM 801 NH1 ARG A 68 -6.774 3.446 8.076 1.00 1.42 N ATOM 802 NH2 ARG A 68 -7.632 1.397 8.654 1.00 1.87 N ATOM 0 H ARG A 68 -6.132 1.257 2.383 1.00 0.39 H new ATOM 0 HA ARG A 68 -6.444 4.033 2.552 1.00 0.39 H new ATOM 0 HB2 ARG A 68 -6.270 1.790 4.497 1.00 0.53 H new ATOM 0 HB3 ARG A 68 -5.963 3.399 5.120 1.00 0.53 H new ATOM 0 HG2 ARG A 68 -8.215 3.884 3.656 1.00 0.80 H new ATOM 0 HG3 ARG A 68 -8.490 2.208 4.089 1.00 0.80 H new ATOM 0 HD2 ARG A 68 -7.750 4.349 6.120 1.00 0.48 H new ATOM 0 HD3 ARG A 68 -9.408 3.951 5.713 1.00 0.48 H new ATOM 0 HE ARG A 68 -9.002 1.662 6.593 1.00 0.94 H new ATOM 0 HH11 ARG A 68 -6.760 4.255 7.455 1.00 1.42 H new ATOM 0 HH12 ARG A 68 -6.168 3.422 8.896 1.00 1.42 H new ATOM 0 HH21 ARG A 68 -8.279 0.628 8.479 1.00 1.87 H new ATOM 0 HH22 ARG A 68 -7.025 1.376 9.474 1.00 1.87 H new ATOM 816 N SER A 69 -3.481 2.842 3.453 1.00 0.31 N ATOM 817 CA SER A 69 -2.073 3.184 3.612 1.00 0.32 C ATOM 818 C SER A 69 -1.592 4.052 2.452 1.00 0.27 C ATOM 819 O SER A 69 -1.007 5.107 2.664 1.00 0.27 O ATOM 820 CB SER A 69 -1.235 1.909 3.698 1.00 0.43 C ATOM 821 OG SER A 69 -1.679 1.083 4.759 1.00 1.16 O ATOM 0 H SER A 69 -3.682 1.847 3.549 1.00 0.31 H new ATOM 0 HA SER A 69 -1.957 3.752 4.535 1.00 0.32 H new ATOM 0 HB2 SER A 69 -1.298 1.364 2.756 1.00 0.43 H new ATOM 0 HB3 SER A 69 -0.187 2.167 3.847 1.00 0.43 H new ATOM 0 HG SER A 69 -1.220 1.338 5.586 1.00 1.16 H new ATOM 827 N LEU A 70 -1.866 3.606 1.233 1.00 0.28 N ATOM 828 CA LEU A 70 -1.502 4.346 0.032 1.00 0.31 C ATOM 829 C LEU A 70 -2.094 5.750 0.059 1.00 0.31 C ATOM 830 O LEU A 70 -1.395 6.706 -0.225 1.00 0.38 O ATOM 831 CB LEU A 70 -1.964 3.565 -1.204 1.00 0.36 C ATOM 832 CG LEU A 70 -1.173 3.812 -2.494 1.00 0.46 C ATOM 833 CD1 LEU A 70 -1.852 4.850 -3.362 1.00 1.25 C ATOM 834 CD2 LEU A 70 0.258 4.231 -2.186 1.00 1.16 C ATOM 0 H LEU A 70 -2.345 2.724 1.049 1.00 0.28 H new ATOM 0 HA LEU A 70 -0.418 4.457 -0.010 1.00 0.31 H new ATOM 0 HB2 LEU A 70 -1.920 2.501 -0.973 1.00 0.36 H new ATOM 0 HB3 LEU A 70 -3.010 3.807 -1.391 1.00 0.36 H new ATOM 0 HG LEU A 70 -1.144 2.873 -3.046 1.00 0.46 H new ATOM 0 HD11 LEU A 70 -1.268 5.004 -4.269 1.00 1.25 H new ATOM 0 HD12 LEU A 70 -2.851 4.505 -3.628 1.00 1.25 H new ATOM 0 HD13 LEU A 70 -1.926 5.790 -2.815 1.00 1.25 H new ATOM 0 HD21 LEU A 70 0.796 4.400 -3.119 1.00 1.16 H new ATOM 0 HD22 LEU A 70 0.250 5.150 -1.600 1.00 1.16 H new ATOM 0 HD23 LEU A 70 0.754 3.443 -1.618 1.00 1.16 H new ATOM 846 N ALA A 71 -3.370 5.871 0.410 1.00 0.26 N ATOM 847 CA ALA A 71 -4.027 7.164 0.525 1.00 0.30 C ATOM 848 C ALA A 71 -3.304 8.062 1.509 1.00 0.29 C ATOM 849 O ALA A 71 -3.105 9.249 1.257 1.00 0.36 O ATOM 850 CB ALA A 71 -5.467 6.988 0.956 1.00 0.32 C ATOM 0 H ALA A 71 -3.974 5.077 0.622 1.00 0.26 H new ATOM 0 HA ALA A 71 -4.001 7.638 -0.456 1.00 0.30 H new ATOM 0 HB1 ALA A 71 -5.944 7.965 1.037 1.00 0.32 H new ATOM 0 HB2 ALA A 71 -5.997 6.386 0.218 1.00 0.32 H new ATOM 0 HB3 ALA A 71 -5.499 6.487 1.924 1.00 0.32 H new ATOM 856 N TYR A 72 -2.917 7.483 2.630 1.00 0.25 N ATOM 857 CA TYR A 72 -2.161 8.195 3.643 1.00 0.25 C ATOM 858 C TYR A 72 -0.767 8.534 3.118 1.00 0.26 C ATOM 859 O TYR A 72 -0.168 9.542 3.492 1.00 0.30 O ATOM 860 CB TYR A 72 -2.066 7.340 4.900 1.00 0.25 C ATOM 861 CG TYR A 72 -3.400 7.062 5.556 1.00 0.29 C ATOM 862 CD1 TYR A 72 -4.284 8.092 5.853 1.00 0.34 C ATOM 863 CD2 TYR A 72 -3.780 5.765 5.860 1.00 0.41 C ATOM 864 CE1 TYR A 72 -5.507 7.832 6.441 1.00 0.41 C ATOM 865 CE2 TYR A 72 -4.999 5.498 6.442 1.00 0.47 C ATOM 866 CZ TYR A 72 -5.861 6.531 6.729 1.00 0.43 C ATOM 867 OH TYR A 72 -7.073 6.258 7.317 1.00 0.52 O ATOM 0 H TYR A 72 -3.117 6.510 2.863 1.00 0.25 H new ATOM 0 HA TYR A 72 -2.671 9.127 3.886 1.00 0.25 H new ATOM 0 HB2 TYR A 72 -1.592 6.391 4.647 1.00 0.25 H new ATOM 0 HB3 TYR A 72 -1.416 7.839 5.619 1.00 0.25 H new ATOM 0 HD1 TYR A 72 -4.011 9.111 5.621 1.00 0.34 H new ATOM 0 HD2 TYR A 72 -3.109 4.949 5.637 1.00 0.41 H new ATOM 0 HE1 TYR A 72 -6.181 8.643 6.674 1.00 0.41 H new ATOM 0 HE2 TYR A 72 -5.278 4.480 6.673 1.00 0.47 H new ATOM 0 HH TYR A 72 -7.728 6.935 7.046 1.00 0.52 H new ATOM 877 N LEU A 73 -0.274 7.671 2.246 1.00 0.26 N ATOM 878 CA LEU A 73 0.992 7.872 1.557 1.00 0.30 C ATOM 879 C LEU A 73 0.847 8.932 0.472 1.00 0.37 C ATOM 880 O LEU A 73 1.829 9.509 0.008 1.00 0.50 O ATOM 881 CB LEU A 73 1.444 6.537 0.956 1.00 0.31 C ATOM 882 CG LEU A 73 1.897 5.503 1.985 1.00 0.31 C ATOM 883 CD1 LEU A 73 2.208 4.171 1.317 1.00 0.33 C ATOM 884 CD2 LEU A 73 3.107 6.014 2.743 1.00 0.43 C ATOM 0 H LEU A 73 -0.745 6.802 1.993 1.00 0.26 H new ATOM 0 HA LEU A 73 1.743 8.224 2.264 1.00 0.30 H new ATOM 0 HB2 LEU A 73 0.623 6.118 0.375 1.00 0.31 H new ATOM 0 HB3 LEU A 73 2.263 6.724 0.262 1.00 0.31 H new ATOM 0 HG LEU A 73 1.083 5.343 2.692 1.00 0.31 H new ATOM 0 HD11 LEU A 73 2.528 3.452 2.071 1.00 0.33 H new ATOM 0 HD12 LEU A 73 1.315 3.798 0.816 1.00 0.33 H new ATOM 0 HD13 LEU A 73 3.004 4.308 0.585 1.00 0.33 H new ATOM 0 HD21 LEU A 73 3.420 5.268 3.473 1.00 0.43 H new ATOM 0 HD22 LEU A 73 3.922 6.202 2.044 1.00 0.43 H new ATOM 0 HD23 LEU A 73 2.850 6.940 3.257 1.00 0.43 H new ATOM 896 N ARG A 74 -0.394 9.176 0.077 1.00 0.38 N ATOM 897 CA ARG A 74 -0.713 10.197 -0.907 1.00 0.48 C ATOM 898 C ARG A 74 -0.789 11.566 -0.250 1.00 0.53 C ATOM 899 O ARG A 74 -0.377 12.569 -0.834 1.00 0.67 O ATOM 900 CB ARG A 74 -2.050 9.886 -1.592 1.00 0.51 C ATOM 901 CG ARG A 74 -1.971 8.795 -2.643 1.00 0.48 C ATOM 902 CD ARG A 74 -2.927 7.648 -2.377 1.00 1.19 C ATOM 903 NE ARG A 74 -4.337 7.996 -2.547 1.00 1.95 N ATOM 904 CZ ARG A 74 -5.312 7.089 -2.687 1.00 2.78 C ATOM 905 NH1 ARG A 74 -5.034 5.792 -2.649 1.00 3.07 N ATOM 906 NH2 ARG A 74 -6.567 7.478 -2.858 1.00 3.53 N ATOM 0 H ARG A 74 -1.207 8.671 0.430 1.00 0.38 H new ATOM 0 HA ARG A 74 0.080 10.202 -1.655 1.00 0.48 H new ATOM 0 HB2 ARG A 74 -2.775 9.592 -0.833 1.00 0.51 H new ATOM 0 HB3 ARG A 74 -2.428 10.797 -2.057 1.00 0.51 H new ATOM 0 HG2 ARG A 74 -2.189 9.224 -3.621 1.00 0.48 H new ATOM 0 HG3 ARG A 74 -0.952 8.410 -2.684 1.00 0.48 H new ATOM 0 HD2 ARG A 74 -2.684 6.823 -3.047 1.00 1.19 H new ATOM 0 HD3 ARG A 74 -2.772 7.288 -1.360 1.00 1.19 H new ATOM 0 HE ARG A 74 -4.592 8.984 -2.560 1.00 1.95 H new ATOM 0 HH11 ARG A 74 -4.072 5.480 -2.512 1.00 3.07 H new ATOM 0 HH12 ARG A 74 -5.782 5.107 -2.756 1.00 3.07 H new ATOM 0 HH21 ARG A 74 -6.794 8.472 -2.883 1.00 3.53 H new ATOM 0 HH22 ARG A 74 -7.306 6.783 -2.964 1.00 3.53 H new ATOM 920 N THR A 75 -1.314 11.602 0.965 1.00 0.48 N ATOM 921 CA THR A 75 -1.538 12.855 1.658 1.00 0.57 C ATOM 922 C THR A 75 -0.311 13.283 2.464 1.00 0.70 C ATOM 923 O THR A 75 0.514 14.061 1.983 1.00 1.53 O ATOM 924 CB THR A 75 -2.776 12.754 2.576 1.00 0.54 C ATOM 925 OG1 THR A 75 -2.646 11.643 3.479 1.00 0.55 O ATOM 926 CG2 THR A 75 -4.041 12.576 1.751 1.00 0.49 C ATOM 0 H THR A 75 -1.593 10.773 1.490 1.00 0.48 H new ATOM 0 HA THR A 75 -1.721 13.619 0.902 1.00 0.57 H new ATOM 0 HB THR A 75 -2.844 13.680 3.147 1.00 0.54 H new ATOM 0 HG1 THR A 75 -2.705 11.964 4.403 1.00 0.55 H new ATOM 0 HG21 THR A 75 -4.902 12.507 2.416 1.00 0.49 H new ATOM 0 HG22 THR A 75 -4.164 13.430 1.085 1.00 0.49 H new ATOM 0 HG23 THR A 75 -3.965 11.663 1.160 1.00 0.49 H new ATOM 934 N GLU A 76 -0.182 12.750 3.674 1.00 0.57 N ATOM 935 CA GLU A 76 0.906 13.126 4.576 1.00 0.59 C ATOM 936 C GLU A 76 0.883 12.264 5.836 1.00 0.42 C ATOM 937 O GLU A 76 1.422 12.645 6.877 1.00 0.45 O ATOM 938 CB GLU A 76 0.760 14.594 4.976 1.00 0.86 C ATOM 939 CG GLU A 76 -0.584 14.908 5.620 1.00 1.85 C ATOM 940 CD GLU A 76 -0.653 16.312 6.168 1.00 2.38 C ATOM 941 OE1 GLU A 76 -0.130 16.543 7.280 1.00 2.71 O ATOM 942 OE2 GLU A 76 -1.230 17.192 5.499 1.00 2.77 O ATOM 0 H GLU A 76 -0.820 12.052 4.056 1.00 0.57 H new ATOM 0 HA GLU A 76 1.851 12.973 4.056 1.00 0.59 H new ATOM 0 HB2 GLU A 76 1.559 14.856 5.670 1.00 0.86 H new ATOM 0 HB3 GLU A 76 0.887 15.219 4.092 1.00 0.86 H new ATOM 0 HG2 GLU A 76 -1.376 14.770 4.884 1.00 1.85 H new ATOM 0 HG3 GLU A 76 -0.771 14.198 6.426 1.00 1.85 H new ATOM 949 N CYS A 77 0.292 11.091 5.725 1.00 0.32 N ATOM 950 CA CYS A 77 -0.001 10.268 6.885 1.00 0.32 C ATOM 951 C CYS A 77 0.752 8.953 6.821 1.00 0.32 C ATOM 952 O CYS A 77 0.245 7.915 7.238 1.00 0.35 O ATOM 953 CB CYS A 77 -1.498 10.010 6.974 1.00 0.33 C ATOM 954 SG CYS A 77 -2.510 11.507 6.962 1.00 0.37 S ATOM 0 H CYS A 77 0.003 10.682 4.836 1.00 0.32 H new ATOM 0 HA CYS A 77 0.324 10.803 7.777 1.00 0.32 H new ATOM 0 HB2 CYS A 77 -1.796 9.377 6.139 1.00 0.33 H new ATOM 0 HB3 CYS A 77 -1.705 9.452 7.887 1.00 0.33 H new ATOM 0 HG CYS A 77 -3.766 11.182 7.039 1.00 0.37 H new ATOM 960 N TYR A 78 1.951 9.013 6.270 1.00 0.34 N ATOM 961 CA TYR A 78 2.800 7.839 6.081 1.00 0.38 C ATOM 962 C TYR A 78 2.918 7.003 7.360 1.00 0.41 C ATOM 963 O TYR A 78 3.040 5.777 7.295 1.00 0.43 O ATOM 964 CB TYR A 78 4.189 8.276 5.636 1.00 0.44 C ATOM 965 CG TYR A 78 4.212 9.583 4.872 1.00 0.42 C ATOM 966 CD1 TYR A 78 3.980 9.621 3.503 1.00 0.55 C ATOM 967 CD2 TYR A 78 4.480 10.780 5.525 1.00 0.54 C ATOM 968 CE1 TYR A 78 4.014 10.814 2.807 1.00 0.66 C ATOM 969 CE2 TYR A 78 4.520 11.976 4.835 1.00 0.66 C ATOM 970 CZ TYR A 78 4.286 11.987 3.477 1.00 0.66 C ATOM 971 OH TYR A 78 4.329 13.175 2.782 1.00 0.84 O ATOM 0 H TYR A 78 2.370 9.881 5.937 1.00 0.34 H new ATOM 0 HA TYR A 78 2.335 7.218 5.316 1.00 0.38 H new ATOM 0 HB2 TYR A 78 4.827 8.370 6.515 1.00 0.44 H new ATOM 0 HB3 TYR A 78 4.621 7.495 5.011 1.00 0.44 H new ATOM 0 HD1 TYR A 78 3.770 8.703 2.974 1.00 0.55 H new ATOM 0 HD2 TYR A 78 4.660 10.775 6.590 1.00 0.54 H new ATOM 0 HE1 TYR A 78 3.828 10.827 1.743 1.00 0.66 H new ATOM 0 HE2 TYR A 78 4.733 12.897 5.357 1.00 0.66 H new ATOM 0 HH TYR A 78 4.532 13.908 3.400 1.00 0.84 H new ATOM 981 N GLY A 79 2.886 7.664 8.512 1.00 0.43 N ATOM 982 CA GLY A 79 2.926 6.953 9.775 1.00 0.49 C ATOM 983 C GLY A 79 1.682 6.115 9.982 1.00 0.42 C ATOM 984 O GLY A 79 1.766 4.926 10.300 1.00 0.42 O ATOM 0 H GLY A 79 2.833 8.679 8.593 1.00 0.43 H new ATOM 0 HA2 GLY A 79 3.807 6.311 9.804 1.00 0.49 H new ATOM 0 HA3 GLY A 79 3.025 7.667 10.592 1.00 0.49 H new ATOM 988 N TYR A 80 0.522 6.733 9.780 1.00 0.38 N ATOM 989 CA TYR A 80 -0.751 6.031 9.865 1.00 0.36 C ATOM 990 C TYR A 80 -0.812 4.960 8.787 1.00 0.30 C ATOM 991 O TYR A 80 -1.382 3.888 8.983 1.00 0.32 O ATOM 992 CB TYR A 80 -1.915 7.010 9.689 1.00 0.40 C ATOM 993 CG TYR A 80 -3.182 6.561 10.376 1.00 0.56 C ATOM 994 CD1 TYR A 80 -3.216 6.349 11.744 1.00 1.06 C ATOM 995 CD2 TYR A 80 -4.341 6.336 9.649 1.00 0.96 C ATOM 996 CE1 TYR A 80 -4.371 5.932 12.373 1.00 1.34 C ATOM 997 CE2 TYR A 80 -5.500 5.917 10.270 1.00 1.28 C ATOM 998 CZ TYR A 80 -5.516 5.757 11.645 1.00 1.29 C ATOM 999 OH TYR A 80 -6.660 5.291 12.250 1.00 1.70 O ATOM 0 H TYR A 80 0.439 7.724 9.555 1.00 0.38 H new ATOM 0 HA TYR A 80 -0.833 5.566 10.848 1.00 0.36 H new ATOM 0 HB2 TYR A 80 -1.623 7.985 10.081 1.00 0.40 H new ATOM 0 HB3 TYR A 80 -2.113 7.140 8.625 1.00 0.40 H new ATOM 0 HD1 TYR A 80 -2.323 6.513 12.329 1.00 1.06 H new ATOM 0 HD2 TYR A 80 -4.337 6.491 8.580 1.00 0.96 H new ATOM 0 HE1 TYR A 80 -4.371 5.744 13.437 1.00 1.34 H new ATOM 0 HE2 TYR A 80 -6.387 5.716 9.688 1.00 1.28 H new ATOM 0 HH TYR A 80 -7.378 5.228 11.586 1.00 1.70 H new ATOM 1009 N ALA A 81 -0.205 5.271 7.648 1.00 0.28 N ATOM 1010 CA ALA A 81 -0.121 4.341 6.540 1.00 0.28 C ATOM 1011 C ALA A 81 0.575 3.064 6.964 1.00 0.29 C ATOM 1012 O ALA A 81 0.025 1.982 6.812 1.00 0.33 O ATOM 1013 CB ALA A 81 0.609 4.968 5.369 1.00 0.31 C ATOM 0 H ALA A 81 0.239 6.172 7.472 1.00 0.28 H new ATOM 0 HA ALA A 81 -1.136 4.097 6.227 1.00 0.28 H new ATOM 0 HB1 ALA A 81 0.661 4.253 4.548 1.00 0.31 H new ATOM 0 HB2 ALA A 81 0.073 5.859 5.041 1.00 0.31 H new ATOM 0 HB3 ALA A 81 1.618 5.243 5.675 1.00 0.31 H new ATOM 1019 N LEU A 82 1.776 3.199 7.517 1.00 0.30 N ATOM 1020 CA LEU A 82 2.544 2.044 7.968 1.00 0.34 C ATOM 1021 C LEU A 82 1.798 1.339 9.096 1.00 0.32 C ATOM 1022 O LEU A 82 1.812 0.114 9.185 1.00 0.37 O ATOM 1023 CB LEU A 82 3.952 2.479 8.417 1.00 0.42 C ATOM 1024 CG LEU A 82 4.990 1.354 8.615 1.00 0.49 C ATOM 1025 CD1 LEU A 82 4.744 0.572 9.887 1.00 0.49 C ATOM 1026 CD2 LEU A 82 4.999 0.403 7.430 1.00 0.52 C ATOM 0 H LEU A 82 2.238 4.096 7.664 1.00 0.30 H new ATOM 0 HA LEU A 82 2.661 1.343 7.141 1.00 0.34 H new ATOM 0 HB2 LEU A 82 4.344 3.179 7.679 1.00 0.42 H new ATOM 0 HB3 LEU A 82 3.857 3.025 9.356 1.00 0.42 H new ATOM 0 HG LEU A 82 5.963 1.839 8.694 1.00 0.49 H new ATOM 0 HD11 LEU A 82 5.498 -0.209 9.985 1.00 0.49 H new ATOM 0 HD12 LEU A 82 4.803 1.243 10.744 1.00 0.49 H new ATOM 0 HD13 LEU A 82 3.754 0.118 9.849 1.00 0.49 H new ATOM 0 HD21 LEU A 82 5.740 -0.379 7.597 1.00 0.52 H new ATOM 0 HD22 LEU A 82 4.013 -0.048 7.318 1.00 0.52 H new ATOM 0 HD23 LEU A 82 5.251 0.954 6.524 1.00 0.52 H new ATOM 1038 N ASN A 83 1.139 2.118 9.945 1.00 0.32 N ATOM 1039 CA ASN A 83 0.329 1.569 11.030 1.00 0.39 C ATOM 1040 C ASN A 83 -0.727 0.603 10.492 1.00 0.38 C ATOM 1041 O ASN A 83 -0.803 -0.556 10.913 1.00 0.42 O ATOM 1042 CB ASN A 83 -0.338 2.706 11.818 1.00 0.47 C ATOM 1043 CG ASN A 83 -1.425 2.224 12.768 1.00 1.25 C ATOM 1044 OD1 ASN A 83 -1.145 1.788 13.884 1.00 1.86 O ATOM 1045 ND2 ASN A 83 -2.677 2.327 12.341 1.00 2.09 N ATOM 0 H ASN A 83 1.149 3.137 9.904 1.00 0.32 H new ATOM 0 HA ASN A 83 0.985 1.012 11.699 1.00 0.39 H new ATOM 0 HB2 ASN A 83 0.423 3.238 12.388 1.00 0.47 H new ATOM 0 HB3 ASN A 83 -0.769 3.421 11.117 1.00 0.47 H new ATOM 0 HD21 ASN A 83 -3.447 2.040 12.945 1.00 2.09 H new ATOM 0 HD22 ASN A 83 -2.869 2.694 11.409 1.00 2.09 H new ATOM 1052 N ASP A 84 -1.523 1.072 9.545 1.00 0.39 N ATOM 1053 CA ASP A 84 -2.583 0.252 8.971 1.00 0.45 C ATOM 1054 C ASP A 84 -2.032 -0.732 7.946 1.00 0.42 C ATOM 1055 O ASP A 84 -2.672 -1.729 7.620 1.00 0.44 O ATOM 1056 CB ASP A 84 -3.665 1.133 8.356 1.00 0.55 C ATOM 1057 CG ASP A 84 -4.565 1.735 9.418 1.00 0.74 C ATOM 1058 OD1 ASP A 84 -5.305 0.981 10.079 1.00 1.19 O ATOM 1059 OD2 ASP A 84 -4.532 2.972 9.602 1.00 1.10 O ATOM 0 H ASP A 84 -1.458 2.013 9.157 1.00 0.39 H new ATOM 0 HA ASP A 84 -3.030 -0.331 9.776 1.00 0.45 H new ATOM 0 HB2 ASP A 84 -3.200 1.931 7.777 1.00 0.55 H new ATOM 0 HB3 ASP A 84 -4.264 0.544 7.662 1.00 0.55 H new ATOM 1064 N ALA A 85 -0.834 -0.463 7.454 1.00 0.41 N ATOM 1065 CA ALA A 85 -0.159 -1.386 6.557 1.00 0.43 C ATOM 1066 C ALA A 85 0.425 -2.551 7.347 1.00 0.42 C ATOM 1067 O ALA A 85 0.550 -3.661 6.839 1.00 0.42 O ATOM 1068 CB ALA A 85 0.923 -0.675 5.766 1.00 0.48 C ATOM 0 H ALA A 85 -0.309 0.387 7.661 1.00 0.41 H new ATOM 0 HA ALA A 85 -0.888 -1.778 5.848 1.00 0.43 H new ATOM 0 HB1 ALA A 85 1.414 -1.386 5.102 1.00 0.48 H new ATOM 0 HB2 ALA A 85 0.476 0.125 5.175 1.00 0.48 H new ATOM 0 HB3 ALA A 85 1.657 -0.252 6.452 1.00 0.48 H new ATOM 1074 N THR A 86 0.781 -2.288 8.597 1.00 0.42 N ATOM 1075 CA THR A 86 1.167 -3.342 9.521 1.00 0.44 C ATOM 1076 C THR A 86 -0.038 -4.224 9.797 1.00 0.43 C ATOM 1077 O THR A 86 0.074 -5.448 9.919 1.00 0.44 O ATOM 1078 CB THR A 86 1.708 -2.758 10.843 1.00 0.47 C ATOM 1079 OG1 THR A 86 2.890 -1.989 10.588 1.00 0.47 O ATOM 1080 CG2 THR A 86 2.025 -3.855 11.847 1.00 0.55 C ATOM 0 H THR A 86 0.810 -1.349 8.994 1.00 0.42 H new ATOM 0 HA THR A 86 1.965 -3.930 9.067 1.00 0.44 H new ATOM 0 HB THR A 86 0.934 -2.119 11.268 1.00 0.47 H new ATOM 0 HG1 THR A 86 3.228 -1.619 11.430 1.00 0.47 H new ATOM 0 HG21 THR A 86 2.404 -3.408 12.766 1.00 0.55 H new ATOM 0 HG22 THR A 86 1.120 -4.422 12.065 1.00 0.55 H new ATOM 0 HG23 THR A 86 2.779 -4.523 11.430 1.00 0.55 H new ATOM 1088 N ARG A 87 -1.199 -3.586 9.871 1.00 0.43 N ATOM 1089 CA ARG A 87 -2.448 -4.306 10.009 1.00 0.43 C ATOM 1090 C ARG A 87 -2.681 -5.150 8.777 1.00 0.39 C ATOM 1091 O ARG A 87 -3.143 -6.287 8.861 1.00 0.38 O ATOM 1092 CB ARG A 87 -3.612 -3.340 10.184 1.00 0.47 C ATOM 1093 CG ARG A 87 -4.803 -3.974 10.865 1.00 0.58 C ATOM 1094 CD ARG A 87 -4.453 -4.299 12.298 1.00 0.71 C ATOM 1095 NE ARG A 87 -4.042 -3.093 13.017 1.00 1.63 N ATOM 1096 CZ ARG A 87 -3.153 -3.072 14.007 1.00 2.24 C ATOM 1097 NH1 ARG A 87 -2.684 -4.200 14.522 1.00 2.10 N ATOM 1098 NH2 ARG A 87 -2.755 -1.911 14.507 1.00 3.28 N ATOM 0 H ARG A 87 -1.297 -2.571 9.837 1.00 0.43 H new ATOM 0 HA ARG A 87 -2.386 -4.942 10.892 1.00 0.43 H new ATOM 0 HB2 ARG A 87 -3.281 -2.481 10.767 1.00 0.47 H new ATOM 0 HB3 ARG A 87 -3.916 -2.964 9.207 1.00 0.47 H new ATOM 0 HG2 ARG A 87 -5.656 -3.296 10.833 1.00 0.58 H new ATOM 0 HG3 ARG A 87 -5.096 -4.881 10.337 1.00 0.58 H new ATOM 0 HD2 ARG A 87 -5.313 -4.749 12.794 1.00 0.71 H new ATOM 0 HD3 ARG A 87 -3.649 -5.035 12.323 1.00 0.71 H new ATOM 0 HE ARG A 87 -4.466 -2.207 12.740 1.00 1.63 H new ATOM 0 HH11 ARG A 87 -3.004 -5.098 14.160 1.00 2.10 H new ATOM 0 HH12 ARG A 87 -2.003 -4.170 15.281 1.00 2.10 H new ATOM 0 HH21 ARG A 87 -3.130 -1.039 14.133 1.00 3.28 H new ATOM 0 HH22 ARG A 87 -2.074 -1.889 15.266 1.00 3.28 H new ATOM 1112 N ALA A 88 -2.379 -4.567 7.634 1.00 0.39 N ATOM 1113 CA ALA A 88 -2.406 -5.295 6.389 1.00 0.38 C ATOM 1114 C ALA A 88 -1.564 -6.562 6.499 1.00 0.39 C ATOM 1115 O ALA A 88 -2.056 -7.614 6.176 1.00 0.41 O ATOM 1116 CB ALA A 88 -1.962 -4.423 5.227 1.00 0.42 C ATOM 0 H ALA A 88 -2.111 -3.587 7.546 1.00 0.39 H new ATOM 0 HA ALA A 88 -3.435 -5.591 6.186 1.00 0.38 H new ATOM 0 HB1 ALA A 88 -1.994 -5.002 4.304 1.00 0.42 H new ATOM 0 HB2 ALA A 88 -2.629 -3.565 5.140 1.00 0.42 H new ATOM 0 HB3 ALA A 88 -0.944 -4.075 5.402 1.00 0.42 H new ATOM 1122 N ILE A 89 -0.315 -6.472 6.987 1.00 0.42 N ATOM 1123 CA ILE A 89 0.500 -7.685 7.231 1.00 0.47 C ATOM 1124 C ILE A 89 -0.269 -8.741 8.031 1.00 0.47 C ATOM 1125 O ILE A 89 -0.123 -9.941 7.801 1.00 0.59 O ATOM 1126 CB ILE A 89 1.800 -7.400 8.015 1.00 0.60 C ATOM 1127 CG1 ILE A 89 2.506 -6.153 7.480 1.00 0.73 C ATOM 1128 CG2 ILE A 89 2.715 -8.621 7.952 1.00 0.66 C ATOM 1129 CD1 ILE A 89 3.975 -6.357 7.142 1.00 1.15 C ATOM 0 H ILE A 89 0.149 -5.594 7.218 1.00 0.42 H new ATOM 0 HA ILE A 89 0.743 -8.047 6.232 1.00 0.47 H new ATOM 0 HB ILE A 89 1.546 -7.204 9.057 1.00 0.60 H new ATOM 0 HG12 ILE A 89 1.984 -5.811 6.586 1.00 0.73 H new ATOM 0 HG13 ILE A 89 2.424 -5.358 8.221 1.00 0.73 H new ATOM 0 HG21 ILE A 89 3.632 -8.418 8.506 1.00 0.66 H new ATOM 0 HG22 ILE A 89 2.208 -9.479 8.393 1.00 0.66 H new ATOM 0 HG23 ILE A 89 2.960 -8.839 6.912 1.00 0.66 H new ATOM 0 HD11 ILE A 89 4.396 -5.423 6.770 1.00 1.15 H new ATOM 0 HD12 ILE A 89 4.515 -6.667 8.037 1.00 1.15 H new ATOM 0 HD13 ILE A 89 4.069 -7.127 6.376 1.00 1.15 H new ATOM 1141 N GLU A 90 -1.077 -8.295 8.981 1.00 0.42 N ATOM 1142 CA GLU A 90 -1.853 -9.210 9.806 1.00 0.43 C ATOM 1143 C GLU A 90 -2.942 -9.886 8.976 1.00 0.40 C ATOM 1144 O GLU A 90 -3.423 -10.968 9.314 1.00 0.47 O ATOM 1145 CB GLU A 90 -2.466 -8.447 10.977 1.00 0.44 C ATOM 1146 CG GLU A 90 -1.431 -7.742 11.845 1.00 0.50 C ATOM 1147 CD GLU A 90 -0.575 -8.696 12.660 1.00 0.58 C ATOM 1148 OE1 GLU A 90 -0.009 -9.636 12.067 1.00 0.73 O ATOM 1149 OE2 GLU A 90 -0.489 -8.530 13.894 1.00 0.82 O ATOM 0 H GLU A 90 -1.213 -7.308 9.200 1.00 0.42 H new ATOM 0 HA GLU A 90 -1.194 -9.987 10.194 1.00 0.43 H new ATOM 0 HB2 GLU A 90 -3.170 -7.709 10.592 1.00 0.44 H new ATOM 0 HB3 GLU A 90 -3.036 -9.141 11.595 1.00 0.44 H new ATOM 0 HG2 GLU A 90 -0.784 -7.139 11.208 1.00 0.50 H new ATOM 0 HG3 GLU A 90 -1.941 -7.056 12.521 1.00 0.50 H new ATOM 1156 N LEU A 91 -3.312 -9.232 7.888 1.00 0.38 N ATOM 1157 CA LEU A 91 -4.323 -9.736 6.966 1.00 0.39 C ATOM 1158 C LEU A 91 -3.663 -10.507 5.811 1.00 0.43 C ATOM 1159 O LEU A 91 -4.186 -11.518 5.331 1.00 0.51 O ATOM 1160 CB LEU A 91 -5.117 -8.553 6.417 1.00 0.36 C ATOM 1161 CG LEU A 91 -5.659 -7.584 7.472 1.00 0.37 C ATOM 1162 CD1 LEU A 91 -6.237 -6.349 6.806 1.00 0.39 C ATOM 1163 CD2 LEU A 91 -6.710 -8.252 8.337 1.00 0.45 C ATOM 0 H LEU A 91 -2.919 -8.331 7.615 1.00 0.38 H new ATOM 0 HA LEU A 91 -4.988 -10.419 7.494 1.00 0.39 H new ATOM 0 HB2 LEU A 91 -4.480 -7.997 5.729 1.00 0.36 H new ATOM 0 HB3 LEU A 91 -5.955 -8.937 5.835 1.00 0.36 H new ATOM 0 HG LEU A 91 -4.830 -7.285 8.114 1.00 0.37 H new ATOM 0 HD11 LEU A 91 -6.618 -5.669 7.568 1.00 0.39 H new ATOM 0 HD12 LEU A 91 -5.459 -5.848 6.230 1.00 0.39 H new ATOM 0 HD13 LEU A 91 -7.050 -6.641 6.141 1.00 0.39 H new ATOM 0 HD21 LEU A 91 -7.077 -7.541 9.077 1.00 0.45 H new ATOM 0 HD22 LEU A 91 -7.538 -8.585 7.711 1.00 0.45 H new ATOM 0 HD23 LEU A 91 -6.271 -9.111 8.845 1.00 0.45 H new ATOM 1175 N ASP A 92 -2.509 -10.011 5.385 1.00 0.46 N ATOM 1176 CA ASP A 92 -1.705 -10.615 4.346 1.00 0.53 C ATOM 1177 C ASP A 92 -0.342 -10.909 4.927 1.00 0.56 C ATOM 1178 O ASP A 92 0.544 -10.062 4.962 1.00 0.82 O ATOM 1179 CB ASP A 92 -1.588 -9.723 3.082 1.00 0.66 C ATOM 1180 CG ASP A 92 -0.885 -8.366 3.276 1.00 1.77 C ATOM 1181 OD1 ASP A 92 0.359 -8.286 3.134 1.00 2.32 O ATOM 1182 OD2 ASP A 92 -1.576 -7.359 3.514 1.00 2.34 O ATOM 0 H ASP A 92 -2.102 -9.157 5.765 1.00 0.46 H new ATOM 0 HA ASP A 92 -2.190 -11.533 4.014 1.00 0.53 H new ATOM 0 HB2 ASP A 92 -1.051 -10.282 2.316 1.00 0.66 H new ATOM 0 HB3 ASP A 92 -2.591 -9.538 2.698 1.00 0.66 H new ATOM 1187 N LYS A 93 -0.192 -12.096 5.461 1.00 0.48 N ATOM 1188 CA LYS A 93 1.045 -12.427 6.111 1.00 0.50 C ATOM 1189 C LYS A 93 2.171 -12.425 5.095 1.00 0.55 C ATOM 1190 O LYS A 93 3.226 -11.858 5.351 1.00 0.64 O ATOM 1191 CB LYS A 93 0.945 -13.756 6.838 1.00 0.55 C ATOM 1192 CG LYS A 93 2.070 -13.971 7.834 1.00 0.73 C ATOM 1193 CD LYS A 93 2.175 -12.787 8.785 1.00 1.22 C ATOM 1194 CE LYS A 93 3.158 -13.049 9.912 1.00 1.76 C ATOM 1195 NZ LYS A 93 3.052 -12.019 10.979 1.00 2.61 N ATOM 0 H LYS A 93 -0.897 -12.833 5.458 1.00 0.48 H new ATOM 0 HA LYS A 93 1.262 -11.672 6.866 1.00 0.50 H new ATOM 0 HB2 LYS A 93 -0.010 -13.808 7.360 1.00 0.55 H new ATOM 0 HB3 LYS A 93 0.953 -14.565 6.108 1.00 0.55 H new ATOM 0 HG2 LYS A 93 1.892 -14.885 8.400 1.00 0.73 H new ATOM 0 HG3 LYS A 93 3.013 -14.103 7.303 1.00 0.73 H new ATOM 0 HD2 LYS A 93 2.487 -11.902 8.230 1.00 1.22 H new ATOM 0 HD3 LYS A 93 1.192 -12.570 9.204 1.00 1.22 H new ATOM 0 HE2 LYS A 93 2.971 -14.035 10.337 1.00 1.76 H new ATOM 0 HE3 LYS A 93 4.173 -13.060 9.515 1.00 1.76 H new ATOM 0 HZ1 LYS A 93 3.737 -12.228 11.733 1.00 2.61 H new ATOM 0 HZ2 LYS A 93 3.255 -11.081 10.578 1.00 2.61 H new ATOM 0 HZ3 LYS A 93 2.090 -12.026 11.374 1.00 2.61 H new ATOM 1209 N LYS A 94 1.956 -13.065 3.949 1.00 0.55 N ATOM 1210 CA LYS A 94 2.847 -12.868 2.815 1.00 0.61 C ATOM 1211 C LYS A 94 2.081 -12.311 1.623 1.00 0.60 C ATOM 1212 O LYS A 94 1.378 -13.042 0.920 1.00 0.69 O ATOM 1213 CB LYS A 94 3.560 -14.163 2.412 1.00 0.76 C ATOM 1214 CG LYS A 94 4.534 -14.686 3.454 1.00 0.96 C ATOM 1215 CD LYS A 94 5.465 -15.737 2.869 1.00 1.17 C ATOM 1216 CE LYS A 94 6.404 -15.131 1.837 1.00 1.41 C ATOM 1217 NZ LYS A 94 7.302 -16.147 1.229 1.00 2.11 N ATOM 0 H LYS A 94 1.186 -13.713 3.784 1.00 0.55 H new ATOM 0 HA LYS A 94 3.606 -12.150 3.127 1.00 0.61 H new ATOM 0 HB2 LYS A 94 2.812 -14.930 2.213 1.00 0.76 H new ATOM 0 HB3 LYS A 94 4.099 -13.993 1.480 1.00 0.76 H new ATOM 0 HG2 LYS A 94 5.122 -13.859 3.852 1.00 0.96 H new ATOM 0 HG3 LYS A 94 3.980 -15.114 4.289 1.00 0.96 H new ATOM 0 HD2 LYS A 94 6.047 -16.196 3.668 1.00 1.17 H new ATOM 0 HD3 LYS A 94 4.877 -16.530 2.407 1.00 1.17 H new ATOM 0 HE2 LYS A 94 5.818 -14.651 1.053 1.00 1.41 H new ATOM 0 HE3 LYS A 94 7.005 -14.353 2.308 1.00 1.41 H new ATOM 0 HZ1 LYS A 94 7.923 -15.689 0.532 1.00 2.11 H new ATOM 0 HZ2 LYS A 94 7.881 -16.588 1.972 1.00 2.11 H new ATOM 0 HZ3 LYS A 94 6.731 -16.877 0.756 1.00 2.11 H new ATOM 1231 N TYR A 95 2.234 -11.022 1.398 1.00 0.53 N ATOM 1232 CA TYR A 95 1.736 -10.374 0.198 1.00 0.58 C ATOM 1233 C TYR A 95 2.799 -9.397 -0.285 1.00 0.55 C ATOM 1234 O TYR A 95 3.069 -8.403 0.387 1.00 0.55 O ATOM 1235 CB TYR A 95 0.409 -9.659 0.489 1.00 0.63 C ATOM 1236 CG TYR A 95 -0.257 -9.013 -0.710 1.00 0.81 C ATOM 1237 CD1 TYR A 95 -0.221 -9.604 -1.967 1.00 0.99 C ATOM 1238 CD2 TYR A 95 -0.917 -7.798 -0.579 1.00 0.91 C ATOM 1239 CE1 TYR A 95 -0.823 -8.999 -3.055 1.00 1.19 C ATOM 1240 CE2 TYR A 95 -1.514 -7.187 -1.658 1.00 1.12 C ATOM 1241 CZ TYR A 95 -1.466 -7.789 -2.894 1.00 1.23 C ATOM 1242 OH TYR A 95 -2.049 -7.171 -3.976 1.00 1.46 O ATOM 0 H TYR A 95 2.709 -10.391 2.043 1.00 0.53 H new ATOM 0 HA TYR A 95 1.539 -11.111 -0.581 1.00 0.58 H new ATOM 0 HB2 TYR A 95 -0.284 -10.379 0.925 1.00 0.63 H new ATOM 0 HB3 TYR A 95 0.587 -8.891 1.242 1.00 0.63 H new ATOM 0 HD1 TYR A 95 0.284 -10.550 -2.096 1.00 0.99 H new ATOM 0 HD2 TYR A 95 -0.963 -7.323 0.390 1.00 0.91 H new ATOM 0 HE1 TYR A 95 -0.790 -9.471 -4.026 1.00 1.19 H new ATOM 0 HE2 TYR A 95 -2.018 -6.240 -1.535 1.00 1.12 H new ATOM 0 HH TYR A 95 -2.348 -7.849 -4.618 1.00 1.46 H new ATOM 1252 N ILE A 96 3.432 -9.698 -1.413 1.00 0.56 N ATOM 1253 CA ILE A 96 4.517 -8.862 -1.921 1.00 0.55 C ATOM 1254 C ILE A 96 4.059 -7.423 -2.115 1.00 0.49 C ATOM 1255 O ILE A 96 4.685 -6.498 -1.604 1.00 0.45 O ATOM 1256 CB ILE A 96 5.112 -9.424 -3.241 1.00 0.64 C ATOM 1257 CG1 ILE A 96 6.365 -10.248 -2.959 1.00 0.87 C ATOM 1258 CG2 ILE A 96 5.460 -8.306 -4.205 1.00 0.59 C ATOM 1259 CD1 ILE A 96 6.199 -11.269 -1.866 1.00 0.83 C ATOM 0 H ILE A 96 3.215 -10.510 -1.992 1.00 0.56 H new ATOM 0 HA ILE A 96 5.306 -8.875 -1.169 1.00 0.55 H new ATOM 0 HB ILE A 96 4.352 -10.060 -3.695 1.00 0.64 H new ATOM 0 HG12 ILE A 96 6.665 -10.758 -3.875 1.00 0.87 H new ATOM 0 HG13 ILE A 96 7.177 -9.573 -2.690 1.00 0.87 H new ATOM 0 HG21 ILE A 96 5.874 -8.730 -5.120 1.00 0.59 H new ATOM 0 HG22 ILE A 96 4.561 -7.738 -4.443 1.00 0.59 H new ATOM 0 HG23 ILE A 96 6.195 -7.645 -3.746 1.00 0.59 H new ATOM 0 HD11 ILE A 96 7.135 -11.811 -1.729 1.00 0.83 H new ATOM 0 HD12 ILE A 96 5.931 -10.767 -0.936 1.00 0.83 H new ATOM 0 HD13 ILE A 96 5.411 -11.970 -2.140 1.00 0.83 H new ATOM 1271 N LYS A 97 2.955 -7.237 -2.832 1.00 0.54 N ATOM 1272 CA LYS A 97 2.425 -5.901 -3.075 1.00 0.55 C ATOM 1273 C LYS A 97 1.960 -5.259 -1.767 1.00 0.50 C ATOM 1274 O LYS A 97 1.836 -4.034 -1.667 1.00 0.51 O ATOM 1275 CB LYS A 97 1.285 -5.962 -4.092 1.00 0.71 C ATOM 1276 CG LYS A 97 1.729 -6.452 -5.465 1.00 1.28 C ATOM 1277 CD LYS A 97 0.545 -6.751 -6.374 1.00 1.65 C ATOM 1278 CE LYS A 97 -0.307 -5.517 -6.619 1.00 1.73 C ATOM 1279 NZ LYS A 97 0.398 -4.494 -7.442 1.00 1.59 N ATOM 0 H LYS A 97 2.413 -7.991 -3.253 1.00 0.54 H new ATOM 0 HA LYS A 97 3.219 -5.280 -3.488 1.00 0.55 H new ATOM 0 HB2 LYS A 97 0.504 -6.622 -3.713 1.00 0.71 H new ATOM 0 HB3 LYS A 97 0.844 -4.971 -4.193 1.00 0.71 H new ATOM 0 HG2 LYS A 97 2.363 -5.698 -5.932 1.00 1.28 H new ATOM 0 HG3 LYS A 97 2.335 -7.351 -5.351 1.00 1.28 H new ATOM 0 HD2 LYS A 97 0.907 -7.137 -7.327 1.00 1.65 H new ATOM 0 HD3 LYS A 97 -0.068 -7.533 -5.926 1.00 1.65 H new ATOM 0 HE2 LYS A 97 -1.230 -5.810 -7.120 1.00 1.73 H new ATOM 0 HE3 LYS A 97 -0.589 -5.078 -5.662 1.00 1.73 H new ATOM 0 HZ1 LYS A 97 -0.189 -3.639 -7.510 1.00 1.59 H new ATOM 0 HZ2 LYS A 97 1.307 -4.255 -6.996 1.00 1.59 H new ATOM 0 HZ3 LYS A 97 0.570 -4.873 -8.395 1.00 1.59 H new ATOM 1293 N GLY A 98 1.737 -6.100 -0.763 1.00 0.51 N ATOM 1294 CA GLY A 98 1.382 -5.621 0.553 1.00 0.52 C ATOM 1295 C GLY A 98 2.586 -5.037 1.249 1.00 0.43 C ATOM 1296 O GLY A 98 2.613 -3.838 1.544 1.00 0.48 O ATOM 0 H GLY A 98 1.798 -7.115 -0.843 1.00 0.51 H new ATOM 0 HA2 GLY A 98 0.600 -4.866 0.472 1.00 0.52 H new ATOM 0 HA3 GLY A 98 0.974 -6.440 1.146 1.00 0.52 H new ATOM 1300 N TYR A 99 3.586 -5.892 1.510 1.00 0.35 N ATOM 1301 CA TYR A 99 4.870 -5.444 2.052 1.00 0.29 C ATOM 1302 C TYR A 99 5.350 -4.212 1.291 1.00 0.31 C ATOM 1303 O TYR A 99 5.880 -3.272 1.861 1.00 0.32 O ATOM 1304 CB TYR A 99 5.967 -6.499 1.877 1.00 0.30 C ATOM 1305 CG TYR A 99 5.761 -7.860 2.511 1.00 0.38 C ATOM 1306 CD1 TYR A 99 5.155 -8.035 3.756 1.00 0.64 C ATOM 1307 CD2 TYR A 99 6.242 -8.987 1.855 1.00 0.98 C ATOM 1308 CE1 TYR A 99 5.036 -9.295 4.311 1.00 0.71 C ATOM 1309 CE2 TYR A 99 6.134 -10.240 2.410 1.00 1.11 C ATOM 1310 CZ TYR A 99 5.532 -10.391 3.633 1.00 0.72 C ATOM 1311 OH TYR A 99 5.447 -11.640 4.189 1.00 0.92 O ATOM 0 H TYR A 99 3.526 -6.898 1.353 1.00 0.35 H new ATOM 0 HA TYR A 99 4.705 -5.243 3.110 1.00 0.29 H new ATOM 0 HB2 TYR A 99 6.117 -6.649 0.808 1.00 0.30 H new ATOM 0 HB3 TYR A 99 6.894 -6.084 2.273 1.00 0.30 H new ATOM 0 HD1 TYR A 99 4.775 -7.177 4.291 1.00 0.64 H new ATOM 0 HD2 TYR A 99 6.711 -8.876 0.888 1.00 0.98 H new ATOM 0 HE1 TYR A 99 4.557 -9.422 5.271 1.00 0.71 H new ATOM 0 HE2 TYR A 99 6.521 -11.101 1.886 1.00 1.11 H new ATOM 0 HH TYR A 99 4.812 -11.623 4.935 1.00 0.92 H new ATOM 1321 N TYR A 100 5.144 -4.260 -0.015 1.00 0.34 N ATOM 1322 CA TYR A 100 5.598 -3.233 -0.944 1.00 0.37 C ATOM 1323 C TYR A 100 5.104 -1.850 -0.528 1.00 0.39 C ATOM 1324 O TYR A 100 5.891 -0.914 -0.374 1.00 0.42 O ATOM 1325 CB TYR A 100 5.080 -3.583 -2.340 1.00 0.42 C ATOM 1326 CG TYR A 100 5.644 -2.753 -3.465 1.00 0.43 C ATOM 1327 CD1 TYR A 100 6.839 -3.107 -4.073 1.00 0.46 C ATOM 1328 CD2 TYR A 100 4.970 -1.635 -3.935 1.00 0.51 C ATOM 1329 CE1 TYR A 100 7.346 -2.367 -5.121 1.00 0.55 C ATOM 1330 CE2 TYR A 100 5.472 -0.888 -4.980 1.00 0.60 C ATOM 1331 CZ TYR A 100 6.659 -1.259 -5.570 1.00 0.60 C ATOM 1332 OH TYR A 100 7.156 -0.528 -6.622 1.00 0.73 O ATOM 0 H TYR A 100 4.648 -5.027 -0.469 1.00 0.34 H new ATOM 0 HA TYR A 100 6.688 -3.202 -0.941 1.00 0.37 H new ATOM 0 HB2 TYR A 100 5.301 -4.632 -2.539 1.00 0.42 H new ATOM 0 HB3 TYR A 100 3.995 -3.479 -2.343 1.00 0.42 H new ATOM 0 HD1 TYR A 100 7.380 -3.973 -3.721 1.00 0.46 H new ATOM 0 HD2 TYR A 100 4.037 -1.345 -3.475 1.00 0.51 H new ATOM 0 HE1 TYR A 100 8.277 -2.654 -5.588 1.00 0.55 H new ATOM 0 HE2 TYR A 100 4.938 -0.018 -5.333 1.00 0.60 H new ATOM 0 HH TYR A 100 7.743 -1.094 -7.165 1.00 0.73 H new ATOM 1342 N ARG A 101 3.799 -1.733 -0.328 1.00 0.41 N ATOM 1343 CA ARG A 101 3.198 -0.450 0.021 1.00 0.46 C ATOM 1344 C ARG A 101 3.625 0.019 1.410 1.00 0.43 C ATOM 1345 O ARG A 101 3.809 1.214 1.642 1.00 0.46 O ATOM 1346 CB ARG A 101 1.674 -0.527 -0.070 1.00 0.53 C ATOM 1347 CG ARG A 101 1.127 -0.116 -1.431 1.00 0.82 C ATOM 1348 CD ARG A 101 1.715 -0.946 -2.561 1.00 1.06 C ATOM 1349 NE ARG A 101 1.346 -0.423 -3.874 1.00 1.18 N ATOM 1350 CZ ARG A 101 0.579 -1.072 -4.746 1.00 1.58 C ATOM 1351 NH1 ARG A 101 0.074 -2.261 -4.437 1.00 2.34 N ATOM 1352 NH2 ARG A 101 0.304 -0.533 -5.928 1.00 1.89 N ATOM 0 H ARG A 101 3.137 -2.506 -0.401 1.00 0.41 H new ATOM 0 HA ARG A 101 3.558 0.284 -0.700 1.00 0.46 H new ATOM 0 HB2 ARG A 101 1.356 -1.546 0.148 1.00 0.53 H new ATOM 0 HB3 ARG A 101 1.239 0.114 0.697 1.00 0.53 H new ATOM 0 HG2 ARG A 101 0.042 -0.222 -1.432 1.00 0.82 H new ATOM 0 HG3 ARG A 101 1.345 0.938 -1.605 1.00 0.82 H new ATOM 0 HD2 ARG A 101 2.801 -0.964 -2.470 1.00 1.06 H new ATOM 0 HD3 ARG A 101 1.370 -1.976 -2.471 1.00 1.06 H new ATOM 0 HE ARG A 101 1.698 0.497 -4.139 1.00 1.18 H new ATOM 0 HH11 ARG A 101 0.274 -2.679 -3.529 1.00 2.34 H new ATOM 0 HH12 ARG A 101 -0.514 -2.756 -5.108 1.00 2.34 H new ATOM 0 HH21 ARG A 101 0.681 0.383 -6.171 1.00 1.89 H new ATOM 0 HH22 ARG A 101 -0.285 -1.035 -6.593 1.00 1.89 H new ATOM 1366 N ARG A 102 3.801 -0.916 2.332 1.00 0.41 N ATOM 1367 CA ARG A 102 4.190 -0.555 3.690 1.00 0.43 C ATOM 1368 C ARG A 102 5.684 -0.257 3.767 1.00 0.37 C ATOM 1369 O ARG A 102 6.122 0.557 4.581 1.00 0.38 O ATOM 1370 CB ARG A 102 3.780 -1.641 4.682 1.00 0.52 C ATOM 1371 CG ARG A 102 4.337 -3.010 4.383 1.00 0.87 C ATOM 1372 CD ARG A 102 3.506 -4.088 5.046 1.00 1.12 C ATOM 1373 NE ARG A 102 2.182 -4.230 4.431 1.00 1.87 N ATOM 1374 CZ ARG A 102 1.581 -5.403 4.165 1.00 2.58 C ATOM 1375 NH1 ARG A 102 2.192 -6.555 4.395 1.00 2.78 N ATOM 1376 NH2 ARG A 102 0.369 -5.423 3.635 1.00 3.57 N ATOM 0 H ARG A 102 3.683 -1.916 2.170 1.00 0.41 H new ATOM 0 HA ARG A 102 3.660 0.356 3.966 1.00 0.43 H new ATOM 0 HB2 ARG A 102 4.102 -1.343 5.680 1.00 0.52 H new ATOM 0 HB3 ARG A 102 2.692 -1.703 4.703 1.00 0.52 H new ATOM 0 HG2 ARG A 102 4.357 -3.172 3.305 1.00 0.87 H new ATOM 0 HG3 ARG A 102 5.367 -3.072 4.733 1.00 0.87 H new ATOM 0 HD2 ARG A 102 4.035 -5.039 4.987 1.00 1.12 H new ATOM 0 HD3 ARG A 102 3.389 -3.854 6.104 1.00 1.12 H new ATOM 0 HE ARG A 102 1.680 -3.376 4.187 1.00 1.87 H new ATOM 0 HH11 ARG A 102 3.136 -6.563 4.781 1.00 2.78 H new ATOM 0 HH12 ARG A 102 1.719 -7.434 4.186 1.00 2.78 H new ATOM 0 HH21 ARG A 102 -0.111 -4.547 3.427 1.00 3.57 H new ATOM 0 HH22 ARG A 102 -0.085 -6.314 3.434 1.00 3.57 H new ATOM 1390 N ALA A 103 6.456 -0.895 2.900 1.00 0.34 N ATOM 1391 CA ALA A 103 7.864 -0.571 2.752 1.00 0.32 C ATOM 1392 C ALA A 103 7.998 0.887 2.338 1.00 0.33 C ATOM 1393 O ALA A 103 8.902 1.593 2.779 1.00 0.35 O ATOM 1394 CB ALA A 103 8.514 -1.473 1.715 1.00 0.33 C ATOM 0 H ALA A 103 6.128 -1.642 2.287 1.00 0.34 H new ATOM 0 HA ALA A 103 8.371 -0.729 3.704 1.00 0.32 H new ATOM 0 HB1 ALA A 103 9.569 -1.215 1.618 1.00 0.33 H new ATOM 0 HB2 ALA A 103 8.422 -2.513 2.028 1.00 0.33 H new ATOM 0 HB3 ALA A 103 8.018 -1.339 0.754 1.00 0.33 H new ATOM 1400 N ALA A 104 7.058 1.333 1.510 1.00 0.33 N ATOM 1401 CA ALA A 104 7.029 2.708 1.045 1.00 0.35 C ATOM 1402 C ALA A 104 6.661 3.644 2.185 1.00 0.35 C ATOM 1403 O ALA A 104 7.127 4.779 2.241 1.00 0.38 O ATOM 1404 CB ALA A 104 6.050 2.858 -0.111 1.00 0.39 C ATOM 0 H ALA A 104 6.302 0.753 1.147 1.00 0.33 H new ATOM 0 HA ALA A 104 8.023 2.976 0.688 1.00 0.35 H new ATOM 0 HB1 ALA A 104 6.040 3.895 -0.448 1.00 0.39 H new ATOM 0 HB2 ALA A 104 6.357 2.212 -0.934 1.00 0.39 H new ATOM 0 HB3 ALA A 104 5.051 2.575 0.219 1.00 0.39 H new ATOM 1410 N SER A 105 5.832 3.159 3.100 1.00 0.34 N ATOM 1411 CA SER A 105 5.450 3.944 4.261 1.00 0.36 C ATOM 1412 C SER A 105 6.664 4.190 5.154 1.00 0.34 C ATOM 1413 O SER A 105 6.904 5.314 5.593 1.00 0.33 O ATOM 1414 CB SER A 105 4.339 3.241 5.041 1.00 0.40 C ATOM 1415 OG SER A 105 3.354 2.713 4.166 1.00 0.64 O ATOM 0 H SER A 105 5.414 2.229 3.059 1.00 0.34 H new ATOM 0 HA SER A 105 5.070 4.907 3.921 1.00 0.36 H new ATOM 0 HB2 SER A 105 4.765 2.437 5.641 1.00 0.40 H new ATOM 0 HB3 SER A 105 3.876 3.944 5.733 1.00 0.40 H new ATOM 0 HG SER A 105 2.656 2.267 4.690 1.00 0.64 H new ATOM 1421 N ASN A 106 7.442 3.138 5.400 1.00 0.36 N ATOM 1422 CA ASN A 106 8.682 3.267 6.162 1.00 0.37 C ATOM 1423 C ASN A 106 9.670 4.147 5.411 1.00 0.36 C ATOM 1424 O ASN A 106 10.327 5.006 6.000 1.00 0.37 O ATOM 1425 CB ASN A 106 9.309 1.894 6.428 1.00 0.40 C ATOM 1426 CG ASN A 106 8.637 1.138 7.559 1.00 0.43 C ATOM 1427 OD1 ASN A 106 8.168 1.858 8.568 1.00 1.09 O flip ATOM 1428 ND2 ASN A 106 8.554 -0.090 7.535 1.00 1.32 N flip ATOM 0 H ASN A 106 7.237 2.190 5.084 1.00 0.36 H new ATOM 0 HA ASN A 106 8.443 3.729 7.120 1.00 0.37 H new ATOM 0 HB2 ASN A 106 9.257 1.296 5.518 1.00 0.40 H new ATOM 0 HB3 ASN A 106 10.365 2.024 6.664 1.00 0.40 H new ATOM 0 HD21 ASN A 106 8.927 -0.611 6.741 1.00 1.32 H new ATOM 0 HD22 ASN A 106 8.113 -0.587 8.309 1.00 1.32 H new ATOM 1435 N MET A 107 9.746 3.934 4.103 1.00 0.38 N ATOM 1436 CA MET A 107 10.645 4.685 3.234 1.00 0.40 C ATOM 1437 C MET A 107 10.330 6.180 3.302 1.00 0.40 C ATOM 1438 O MET A 107 11.229 7.013 3.415 1.00 0.45 O ATOM 1439 CB MET A 107 10.494 4.171 1.797 1.00 0.46 C ATOM 1440 CG MET A 107 11.749 4.282 0.945 1.00 0.44 C ATOM 1441 SD MET A 107 12.154 5.972 0.479 1.00 1.26 S ATOM 1442 CE MET A 107 13.561 5.667 -0.582 1.00 0.70 C ATOM 0 H MET A 107 9.186 3.236 3.614 1.00 0.38 H new ATOM 0 HA MET A 107 11.674 4.543 3.565 1.00 0.40 H new ATOM 0 HB2 MET A 107 10.186 3.126 1.830 1.00 0.46 H new ATOM 0 HB3 MET A 107 9.691 4.725 1.310 1.00 0.46 H new ATOM 0 HG2 MET A 107 12.589 3.853 1.492 1.00 0.44 H new ATOM 0 HG3 MET A 107 11.619 3.686 0.042 1.00 0.44 H new ATOM 0 HE1 MET A 107 13.679 6.498 -1.278 1.00 0.70 H new ATOM 0 HE2 MET A 107 14.461 5.572 0.026 1.00 0.70 H new ATOM 0 HE3 MET A 107 13.402 4.745 -1.141 1.00 0.70 H new ATOM 1452 N ALA A 108 9.043 6.499 3.254 1.00 0.36 N ATOM 1453 CA ALA A 108 8.581 7.880 3.294 1.00 0.38 C ATOM 1454 C ALA A 108 8.832 8.515 4.661 1.00 0.39 C ATOM 1455 O ALA A 108 9.141 9.703 4.756 1.00 0.43 O ATOM 1456 CB ALA A 108 7.101 7.936 2.946 1.00 0.38 C ATOM 0 H ALA A 108 8.293 5.811 3.187 1.00 0.36 H new ATOM 0 HA ALA A 108 9.147 8.451 2.558 1.00 0.38 H new ATOM 0 HB1 ALA A 108 6.759 8.970 2.977 1.00 0.38 H new ATOM 0 HB2 ALA A 108 6.947 7.533 1.945 1.00 0.38 H new ATOM 0 HB3 ALA A 108 6.535 7.345 3.666 1.00 0.38 H new ATOM 1462 N LEU A 109 8.705 7.719 5.718 1.00 0.38 N ATOM 1463 CA LEU A 109 8.920 8.207 7.079 1.00 0.40 C ATOM 1464 C LEU A 109 10.386 8.554 7.318 1.00 0.43 C ATOM 1465 O LEU A 109 10.704 9.412 8.140 1.00 0.65 O ATOM 1466 CB LEU A 109 8.463 7.163 8.099 1.00 0.38 C ATOM 1467 CG LEU A 109 6.952 6.962 8.192 1.00 0.48 C ATOM 1468 CD1 LEU A 109 6.626 5.792 9.110 1.00 0.75 C ATOM 1469 CD2 LEU A 109 6.283 8.235 8.692 1.00 0.82 C ATOM 0 H LEU A 109 8.454 6.732 5.660 1.00 0.38 H new ATOM 0 HA LEU A 109 8.328 9.114 7.203 1.00 0.40 H new ATOM 0 HB2 LEU A 109 8.926 6.208 7.850 1.00 0.38 H new ATOM 0 HB3 LEU A 109 8.836 7.451 9.082 1.00 0.38 H new ATOM 0 HG LEU A 109 6.568 6.734 7.198 1.00 0.48 H new ATOM 0 HD11 LEU A 109 5.545 5.663 9.165 1.00 0.75 H new ATOM 0 HD12 LEU A 109 7.081 4.883 8.716 1.00 0.75 H new ATOM 0 HD13 LEU A 109 7.019 5.991 10.107 1.00 0.75 H new ATOM 0 HD21 LEU A 109 5.206 8.080 8.754 1.00 0.82 H new ATOM 0 HD22 LEU A 109 6.671 8.486 9.679 1.00 0.82 H new ATOM 0 HD23 LEU A 109 6.492 9.052 8.001 1.00 0.82 H new ATOM 1481 N GLY A 110 11.272 7.888 6.593 1.00 0.39 N ATOM 1482 CA GLY A 110 12.693 8.102 6.776 1.00 0.41 C ATOM 1483 C GLY A 110 13.392 6.842 7.234 1.00 0.39 C ATOM 1484 O GLY A 110 14.618 6.799 7.344 1.00 0.47 O ATOM 0 H GLY A 110 11.031 7.201 5.879 1.00 0.39 H new ATOM 0 HA2 GLY A 110 13.134 8.443 5.839 1.00 0.41 H new ATOM 0 HA3 GLY A 110 12.851 8.893 7.509 1.00 0.41 H new ATOM 1488 N LYS A 111 12.603 5.810 7.498 1.00 0.36 N ATOM 1489 CA LYS A 111 13.134 4.520 7.909 1.00 0.38 C ATOM 1490 C LYS A 111 13.592 3.731 6.692 1.00 0.30 C ATOM 1491 O LYS A 111 12.955 2.753 6.301 1.00 0.32 O ATOM 1492 CB LYS A 111 12.083 3.716 8.678 1.00 0.53 C ATOM 1493 CG LYS A 111 11.756 4.272 10.050 1.00 0.74 C ATOM 1494 CD LYS A 111 10.614 3.503 10.693 1.00 0.54 C ATOM 1495 CE LYS A 111 10.338 3.987 12.105 1.00 1.22 C ATOM 1496 NZ LYS A 111 9.231 3.227 12.742 1.00 1.73 N ATOM 0 H LYS A 111 11.586 5.843 7.434 1.00 0.36 H new ATOM 0 HA LYS A 111 13.985 4.698 8.567 1.00 0.38 H new ATOM 0 HB2 LYS A 111 11.168 3.676 8.087 1.00 0.53 H new ATOM 0 HB3 LYS A 111 12.436 2.691 8.789 1.00 0.53 H new ATOM 0 HG2 LYS A 111 12.639 4.219 10.687 1.00 0.74 H new ATOM 0 HG3 LYS A 111 11.487 5.325 9.965 1.00 0.74 H new ATOM 0 HD2 LYS A 111 9.714 3.613 10.088 1.00 0.54 H new ATOM 0 HD3 LYS A 111 10.856 2.440 10.713 1.00 0.54 H new ATOM 0 HE2 LYS A 111 11.241 3.887 12.707 1.00 1.22 H new ATOM 0 HE3 LYS A 111 10.086 5.047 12.083 1.00 1.22 H new ATOM 0 HZ1 LYS A 111 9.072 3.586 13.705 1.00 1.73 H new ATOM 0 HZ2 LYS A 111 8.363 3.343 12.182 1.00 1.73 H new ATOM 0 HZ3 LYS A 111 9.482 2.219 12.786 1.00 1.73 H new ATOM 1510 N PHE A 112 14.681 4.174 6.085 1.00 0.30 N ATOM 1511 CA PHE A 112 15.206 3.525 4.893 1.00 0.29 C ATOM 1512 C PHE A 112 15.685 2.116 5.207 1.00 0.30 C ATOM 1513 O PHE A 112 15.573 1.223 4.382 1.00 0.34 O ATOM 1514 CB PHE A 112 16.344 4.349 4.290 1.00 0.35 C ATOM 1515 CG PHE A 112 15.949 5.765 3.997 1.00 0.39 C ATOM 1516 CD1 PHE A 112 14.965 6.043 3.064 1.00 0.41 C ATOM 1517 CD2 PHE A 112 16.549 6.818 4.666 1.00 0.48 C ATOM 1518 CE1 PHE A 112 14.588 7.345 2.803 1.00 0.48 C ATOM 1519 CE2 PHE A 112 16.174 8.121 4.412 1.00 0.54 C ATOM 1520 CZ PHE A 112 15.192 8.384 3.479 1.00 0.53 C ATOM 0 H PHE A 112 15.220 4.981 6.398 1.00 0.30 H new ATOM 0 HA PHE A 112 14.399 3.457 4.164 1.00 0.29 H new ATOM 0 HB2 PHE A 112 17.190 4.348 4.977 1.00 0.35 H new ATOM 0 HB3 PHE A 112 16.681 3.874 3.369 1.00 0.35 H new ATOM 0 HD1 PHE A 112 14.487 5.232 2.534 1.00 0.41 H new ATOM 0 HD2 PHE A 112 17.320 6.617 5.395 1.00 0.48 H new ATOM 0 HE1 PHE A 112 13.821 7.550 2.070 1.00 0.48 H new ATOM 0 HE2 PHE A 112 16.648 8.934 4.942 1.00 0.54 H new ATOM 0 HZ PHE A 112 14.897 9.403 3.278 1.00 0.53 H new ATOM 1530 N ARG A 113 16.201 1.908 6.408 1.00 0.34 N ATOM 1531 CA ARG A 113 16.656 0.579 6.796 1.00 0.38 C ATOM 1532 C ARG A 113 15.465 -0.369 6.876 1.00 0.34 C ATOM 1533 O ARG A 113 15.520 -1.498 6.390 1.00 0.34 O ATOM 1534 CB ARG A 113 17.362 0.601 8.147 1.00 0.49 C ATOM 1535 CG ARG A 113 18.385 1.713 8.313 1.00 1.21 C ATOM 1536 CD ARG A 113 19.592 1.522 7.409 1.00 1.58 C ATOM 1537 NE ARG A 113 20.572 2.594 7.591 1.00 2.42 N ATOM 1538 CZ ARG A 113 21.853 2.509 7.228 1.00 3.14 C ATOM 1539 NH1 ARG A 113 22.329 1.379 6.725 1.00 3.25 N ATOM 1540 NH2 ARG A 113 22.664 3.547 7.393 1.00 4.15 N ATOM 0 H ARG A 113 16.315 2.628 7.122 1.00 0.34 H new ATOM 0 HA ARG A 113 17.364 0.237 6.041 1.00 0.38 H new ATOM 0 HB2 ARG A 113 16.612 0.696 8.932 1.00 0.49 H new ATOM 0 HB3 ARG A 113 17.860 -0.357 8.297 1.00 0.49 H new ATOM 0 HG2 ARG A 113 17.916 2.672 8.092 1.00 1.21 H new ATOM 0 HG3 ARG A 113 18.713 1.750 9.352 1.00 1.21 H new ATOM 0 HD2 ARG A 113 20.059 0.560 7.622 1.00 1.58 H new ATOM 0 HD3 ARG A 113 19.268 1.496 6.368 1.00 1.58 H new ATOM 0 HE ARG A 113 20.255 3.462 8.023 1.00 2.42 H new ATOM 0 HH11 ARG A 113 21.716 0.572 6.615 1.00 3.25 H new ATOM 0 HH12 ARG A 113 23.309 1.317 6.448 1.00 3.25 H new ATOM 0 HH21 ARG A 113 22.308 4.413 7.798 1.00 4.15 H new ATOM 0 HH22 ARG A 113 23.643 3.479 7.114 1.00 4.15 H new ATOM 1554 N ALA A 114 14.384 0.112 7.491 1.00 0.34 N ATOM 1555 CA ALA A 114 13.161 -0.671 7.630 1.00 0.34 C ATOM 1556 C ALA A 114 12.544 -0.936 6.265 1.00 0.28 C ATOM 1557 O ALA A 114 12.164 -2.064 5.948 1.00 0.30 O ATOM 1558 CB ALA A 114 12.168 0.046 8.535 1.00 0.40 C ATOM 0 H ALA A 114 14.333 1.044 7.902 1.00 0.34 H new ATOM 0 HA ALA A 114 13.413 -1.628 8.087 1.00 0.34 H new ATOM 0 HB1 ALA A 114 11.262 -0.553 8.627 1.00 0.40 H new ATOM 0 HB2 ALA A 114 12.611 0.188 9.521 1.00 0.40 H new ATOM 0 HB3 ALA A 114 11.920 1.017 8.106 1.00 0.40 H new ATOM 1564 N ALA A 115 12.484 0.109 5.448 1.00 0.26 N ATOM 1565 CA ALA A 115 11.947 0.003 4.102 1.00 0.23 C ATOM 1566 C ALA A 115 12.752 -0.997 3.296 1.00 0.23 C ATOM 1567 O ALA A 115 12.203 -1.785 2.527 1.00 0.25 O ATOM 1568 CB ALA A 115 11.967 1.360 3.418 1.00 0.23 C ATOM 0 H ALA A 115 12.804 1.044 5.699 1.00 0.26 H new ATOM 0 HA ALA A 115 10.915 -0.343 4.165 1.00 0.23 H new ATOM 0 HB1 ALA A 115 11.562 1.266 2.410 1.00 0.23 H new ATOM 0 HB2 ALA A 115 11.361 2.064 3.988 1.00 0.23 H new ATOM 0 HB3 ALA A 115 12.993 1.725 3.364 1.00 0.23 H new ATOM 1574 N LEU A 116 14.059 -0.964 3.501 1.00 0.24 N ATOM 1575 CA LEU A 116 14.968 -1.855 2.811 1.00 0.28 C ATOM 1576 C LEU A 116 14.657 -3.307 3.133 1.00 0.29 C ATOM 1577 O LEU A 116 14.734 -4.156 2.265 1.00 0.30 O ATOM 1578 CB LEU A 116 16.412 -1.560 3.202 1.00 0.32 C ATOM 1579 CG LEU A 116 17.451 -2.283 2.349 1.00 0.40 C ATOM 1580 CD1 LEU A 116 17.393 -1.784 0.916 1.00 0.47 C ATOM 1581 CD2 LEU A 116 18.840 -2.107 2.927 1.00 0.49 C ATOM 0 H LEU A 116 14.515 -0.321 4.148 1.00 0.24 H new ATOM 0 HA LEU A 116 14.838 -1.689 1.742 1.00 0.28 H new ATOM 0 HB2 LEU A 116 16.584 -0.486 3.131 1.00 0.32 H new ATOM 0 HB3 LEU A 116 16.558 -1.838 4.246 1.00 0.32 H new ATOM 0 HG LEU A 116 17.221 -3.348 2.353 1.00 0.40 H new ATOM 0 HD11 LEU A 116 18.139 -2.307 0.318 1.00 0.47 H new ATOM 0 HD12 LEU A 116 16.401 -1.972 0.505 1.00 0.47 H new ATOM 0 HD13 LEU A 116 17.597 -0.714 0.895 1.00 0.47 H new ATOM 0 HD21 LEU A 116 19.563 -2.631 2.302 1.00 0.49 H new ATOM 0 HD22 LEU A 116 19.089 -1.046 2.959 1.00 0.49 H new ATOM 0 HD23 LEU A 116 18.869 -2.517 3.937 1.00 0.49 H new ATOM 1593 N ARG A 117 14.306 -3.580 4.383 1.00 0.34 N ATOM 1594 CA ARG A 117 14.038 -4.948 4.822 1.00 0.40 C ATOM 1595 C ARG A 117 12.758 -5.475 4.186 1.00 0.34 C ATOM 1596 O ARG A 117 12.657 -6.659 3.845 1.00 0.35 O ATOM 1597 CB ARG A 117 13.934 -5.001 6.346 1.00 0.57 C ATOM 1598 CG ARG A 117 15.174 -4.473 7.043 1.00 0.70 C ATOM 1599 CD ARG A 117 14.986 -4.389 8.546 1.00 1.01 C ATOM 1600 NE ARG A 117 16.087 -3.661 9.179 1.00 1.90 N ATOM 1601 CZ ARG A 117 16.079 -3.241 10.442 1.00 2.55 C ATOM 1602 NH1 ARG A 117 15.069 -3.547 11.247 1.00 2.45 N ATOM 1603 NH2 ARG A 117 17.095 -2.525 10.904 1.00 3.56 N ATOM 0 H ARG A 117 14.200 -2.875 5.112 1.00 0.34 H new ATOM 0 HA ARG A 117 14.865 -5.582 4.503 1.00 0.40 H new ATOM 0 HB2 ARG A 117 13.069 -4.420 6.666 1.00 0.57 H new ATOM 0 HB3 ARG A 117 13.760 -6.031 6.657 1.00 0.57 H new ATOM 0 HG2 ARG A 117 16.021 -5.122 6.819 1.00 0.70 H new ATOM 0 HG3 ARG A 117 15.417 -3.485 6.652 1.00 0.70 H new ATOM 0 HD2 ARG A 117 14.042 -3.892 8.770 1.00 1.01 H new ATOM 0 HD3 ARG A 117 14.924 -5.394 8.964 1.00 1.01 H new ATOM 0 HE ARG A 117 16.914 -3.463 8.616 1.00 1.90 H new ATOM 0 HH11 ARG A 117 14.291 -4.108 10.899 1.00 2.45 H new ATOM 0 HH12 ARG A 117 15.070 -3.221 12.214 1.00 2.45 H new ATOM 0 HH21 ARG A 117 17.879 -2.298 10.292 1.00 3.56 H new ATOM 0 HH22 ARG A 117 17.093 -2.201 11.871 1.00 3.56 H new ATOM 1617 N ASP A 118 11.790 -4.590 4.011 1.00 0.33 N ATOM 1618 CA ASP A 118 10.535 -4.964 3.382 1.00 0.33 C ATOM 1619 C ASP A 118 10.710 -5.096 1.875 1.00 0.28 C ATOM 1620 O ASP A 118 10.276 -6.083 1.282 1.00 0.31 O ATOM 1621 CB ASP A 118 9.433 -3.964 3.731 1.00 0.40 C ATOM 1622 CG ASP A 118 8.748 -4.307 5.041 1.00 0.63 C ATOM 1623 OD1 ASP A 118 9.325 -4.027 6.116 1.00 1.06 O ATOM 1624 OD2 ASP A 118 7.636 -4.877 5.003 1.00 0.77 O ATOM 0 H ASP A 118 11.849 -3.612 4.294 1.00 0.33 H new ATOM 0 HA ASP A 118 10.231 -5.937 3.769 1.00 0.33 H new ATOM 0 HB2 ASP A 118 9.859 -2.963 3.796 1.00 0.40 H new ATOM 0 HB3 ASP A 118 8.694 -3.944 2.930 1.00 0.40 H new ATOM 1629 N TYR A 119 11.385 -4.124 1.264 1.00 0.24 N ATOM 1630 CA TYR A 119 11.699 -4.185 -0.164 1.00 0.26 C ATOM 1631 C TYR A 119 12.599 -5.375 -0.464 1.00 0.28 C ATOM 1632 O TYR A 119 12.470 -6.011 -1.509 1.00 0.33 O ATOM 1633 CB TYR A 119 12.380 -2.900 -0.640 1.00 0.28 C ATOM 1634 CG TYR A 119 11.448 -1.718 -0.788 1.00 0.33 C ATOM 1635 CD1 TYR A 119 10.222 -1.850 -1.428 1.00 0.38 C ATOM 1636 CD2 TYR A 119 11.799 -0.472 -0.290 1.00 0.38 C ATOM 1637 CE1 TYR A 119 9.371 -0.770 -1.566 1.00 0.46 C ATOM 1638 CE2 TYR A 119 10.956 0.613 -0.425 1.00 0.47 C ATOM 1639 CZ TYR A 119 9.744 0.460 -1.062 1.00 0.50 C ATOM 1640 OH TYR A 119 8.905 1.541 -1.203 1.00 0.60 O ATOM 0 H TYR A 119 11.725 -3.285 1.734 1.00 0.24 H new ATOM 0 HA TYR A 119 10.757 -4.299 -0.700 1.00 0.26 H new ATOM 0 HB2 TYR A 119 13.169 -2.639 0.065 1.00 0.28 H new ATOM 0 HB3 TYR A 119 12.860 -3.091 -1.600 1.00 0.28 H new ATOM 0 HD1 TYR A 119 9.930 -2.811 -1.824 1.00 0.38 H new ATOM 0 HD2 TYR A 119 12.747 -0.348 0.212 1.00 0.38 H new ATOM 0 HE1 TYR A 119 8.420 -0.887 -2.065 1.00 0.46 H new ATOM 0 HE2 TYR A 119 11.245 1.577 -0.033 1.00 0.47 H new ATOM 0 HH TYR A 119 8.220 1.338 -1.874 1.00 0.60 H new ATOM 1650 N GLU A 120 13.508 -5.666 0.458 1.00 0.28 N ATOM 1651 CA GLU A 120 14.415 -6.792 0.319 1.00 0.34 C ATOM 1652 C GLU A 120 13.622 -8.079 0.207 1.00 0.37 C ATOM 1653 O GLU A 120 13.870 -8.895 -0.669 1.00 0.43 O ATOM 1654 CB GLU A 120 15.354 -6.881 1.520 1.00 0.36 C ATOM 1655 CG GLU A 120 16.586 -7.729 1.266 1.00 0.42 C ATOM 1656 CD GLU A 120 17.377 -8.023 2.525 1.00 0.48 C ATOM 1657 OE1 GLU A 120 17.095 -9.049 3.182 1.00 0.61 O ATOM 1658 OE2 GLU A 120 18.299 -7.246 2.853 1.00 0.58 O ATOM 0 H GLU A 120 13.635 -5.131 1.317 1.00 0.28 H new ATOM 0 HA GLU A 120 15.009 -6.645 -0.583 1.00 0.34 H new ATOM 0 HB2 GLU A 120 15.667 -5.875 1.801 1.00 0.36 H new ATOM 0 HB3 GLU A 120 14.808 -7.294 2.368 1.00 0.36 H new ATOM 0 HG2 GLU A 120 16.283 -8.670 0.807 1.00 0.42 H new ATOM 0 HG3 GLU A 120 17.230 -7.218 0.551 1.00 0.42 H new ATOM 1665 N THR A 121 12.656 -8.242 1.096 1.00 0.36 N ATOM 1666 CA THR A 121 11.806 -9.415 1.079 1.00 0.40 C ATOM 1667 C THR A 121 11.058 -9.518 -0.248 1.00 0.40 C ATOM 1668 O THR A 121 11.030 -10.577 -0.882 1.00 0.45 O ATOM 1669 CB THR A 121 10.800 -9.380 2.236 1.00 0.41 C ATOM 1670 OG1 THR A 121 11.498 -9.347 3.493 1.00 0.43 O ATOM 1671 CG2 THR A 121 9.886 -10.594 2.175 1.00 0.47 C ATOM 0 H THR A 121 12.443 -7.575 1.838 1.00 0.36 H new ATOM 0 HA THR A 121 12.445 -10.290 1.197 1.00 0.40 H new ATOM 0 HB THR A 121 10.191 -8.480 2.146 1.00 0.41 H new ATOM 0 HG1 THR A 121 11.878 -8.455 3.633 1.00 0.43 H new ATOM 0 HG21 THR A 121 9.177 -10.557 3.002 1.00 0.47 H new ATOM 0 HG22 THR A 121 9.343 -10.593 1.230 1.00 0.47 H new ATOM 0 HG23 THR A 121 10.483 -11.503 2.249 1.00 0.47 H new ATOM 1679 N VAL A 122 10.480 -8.402 -0.670 1.00 0.37 N ATOM 1680 CA VAL A 122 9.771 -8.327 -1.941 1.00 0.39 C ATOM 1681 C VAL A 122 10.678 -8.760 -3.095 1.00 0.44 C ATOM 1682 O VAL A 122 10.274 -9.543 -3.959 1.00 0.50 O ATOM 1683 CB VAL A 122 9.250 -6.895 -2.194 1.00 0.38 C ATOM 1684 CG1 VAL A 122 8.582 -6.797 -3.551 1.00 0.43 C ATOM 1685 CG2 VAL A 122 8.279 -6.475 -1.100 1.00 0.36 C ATOM 0 H VAL A 122 10.489 -7.528 -0.145 1.00 0.37 H new ATOM 0 HA VAL A 122 8.920 -9.006 -1.889 1.00 0.39 H new ATOM 0 HB VAL A 122 10.105 -6.219 -2.179 1.00 0.38 H new ATOM 0 HG11 VAL A 122 8.223 -5.780 -3.707 1.00 0.43 H new ATOM 0 HG12 VAL A 122 9.301 -7.052 -4.330 1.00 0.43 H new ATOM 0 HG13 VAL A 122 7.741 -7.489 -3.593 1.00 0.43 H new ATOM 0 HG21 VAL A 122 7.924 -5.463 -1.297 1.00 0.36 H new ATOM 0 HG22 VAL A 122 7.431 -7.160 -1.083 1.00 0.36 H new ATOM 0 HG23 VAL A 122 8.785 -6.500 -0.135 1.00 0.36 H new ATOM 1695 N VAL A 123 11.918 -8.283 -3.080 1.00 0.44 N ATOM 1696 CA VAL A 123 12.861 -8.571 -4.154 1.00 0.51 C ATOM 1697 C VAL A 123 13.523 -9.942 -3.963 1.00 0.57 C ATOM 1698 O VAL A 123 14.299 -10.392 -4.802 1.00 0.67 O ATOM 1699 CB VAL A 123 13.942 -7.468 -4.267 1.00 0.50 C ATOM 1700 CG1 VAL A 123 15.037 -7.650 -3.229 1.00 0.48 C ATOM 1701 CG2 VAL A 123 14.521 -7.417 -5.674 1.00 0.59 C ATOM 0 H VAL A 123 12.293 -7.695 -2.336 1.00 0.44 H new ATOM 0 HA VAL A 123 12.292 -8.590 -5.083 1.00 0.51 H new ATOM 0 HB VAL A 123 13.460 -6.512 -4.065 1.00 0.50 H new ATOM 0 HG11 VAL A 123 15.778 -6.858 -3.339 1.00 0.48 H new ATOM 0 HG12 VAL A 123 14.603 -7.605 -2.230 1.00 0.48 H new ATOM 0 HG13 VAL A 123 15.517 -8.618 -3.372 1.00 0.48 H new ATOM 0 HG21 VAL A 123 15.278 -6.635 -5.728 1.00 0.59 H new ATOM 0 HG22 VAL A 123 14.975 -8.378 -5.916 1.00 0.59 H new ATOM 0 HG23 VAL A 123 13.725 -7.202 -6.387 1.00 0.59 H new ATOM 1711 N LYS A 124 13.228 -10.603 -2.852 1.00 0.55 N ATOM 1712 CA LYS A 124 13.714 -11.960 -2.632 1.00 0.61 C ATOM 1713 C LYS A 124 12.666 -12.977 -3.058 1.00 0.63 C ATOM 1714 O LYS A 124 12.966 -14.159 -3.238 1.00 0.72 O ATOM 1715 CB LYS A 124 14.121 -12.172 -1.169 1.00 0.62 C ATOM 1716 CG LYS A 124 15.386 -11.415 -0.802 1.00 0.67 C ATOM 1717 CD LYS A 124 15.870 -11.720 0.606 1.00 0.75 C ATOM 1718 CE LYS A 124 14.899 -11.232 1.667 1.00 0.67 C ATOM 1719 NZ LYS A 124 15.507 -11.264 3.024 1.00 1.07 N ATOM 0 H LYS A 124 12.659 -10.226 -2.094 1.00 0.55 H new ATOM 0 HA LYS A 124 14.603 -12.105 -3.246 1.00 0.61 H new ATOM 0 HB2 LYS A 124 13.307 -11.851 -0.519 1.00 0.62 H new ATOM 0 HB3 LYS A 124 14.273 -13.236 -0.988 1.00 0.62 H new ATOM 0 HG2 LYS A 124 16.173 -11.666 -1.514 1.00 0.67 H new ATOM 0 HG3 LYS A 124 15.202 -10.345 -0.894 1.00 0.67 H new ATOM 0 HD2 LYS A 124 16.013 -12.795 0.714 1.00 0.75 H new ATOM 0 HD3 LYS A 124 16.842 -11.252 0.763 1.00 0.75 H new ATOM 0 HE2 LYS A 124 14.585 -10.215 1.433 1.00 0.67 H new ATOM 0 HE3 LYS A 124 14.003 -11.853 1.654 1.00 0.67 H new ATOM 0 HZ1 LYS A 124 14.790 -11.005 3.732 1.00 1.07 H new ATOM 0 HZ2 LYS A 124 15.861 -12.221 3.223 1.00 1.07 H new ATOM 0 HZ3 LYS A 124 16.296 -10.587 3.067 1.00 1.07 H new ATOM 1733 N VAL A 125 11.437 -12.511 -3.225 1.00 0.59 N ATOM 1734 CA VAL A 125 10.356 -13.359 -3.713 1.00 0.63 C ATOM 1735 C VAL A 125 10.237 -13.257 -5.234 1.00 0.69 C ATOM 1736 O VAL A 125 10.025 -14.259 -5.921 1.00 0.75 O ATOM 1737 CB VAL A 125 9.018 -12.993 -3.047 1.00 0.60 C ATOM 1738 CG1 VAL A 125 7.879 -13.816 -3.628 1.00 0.66 C ATOM 1739 CG2 VAL A 125 9.113 -13.193 -1.541 1.00 0.59 C ATOM 0 H VAL A 125 11.162 -11.548 -3.030 1.00 0.59 H new ATOM 0 HA VAL A 125 10.595 -14.389 -3.449 1.00 0.63 H new ATOM 0 HB VAL A 125 8.807 -11.943 -3.248 1.00 0.60 H new ATOM 0 HG11 VAL A 125 6.944 -13.539 -3.141 1.00 0.66 H new ATOM 0 HG12 VAL A 125 7.801 -13.625 -4.698 1.00 0.66 H new ATOM 0 HG13 VAL A 125 8.074 -14.875 -3.462 1.00 0.66 H new ATOM 0 HG21 VAL A 125 8.161 -12.931 -1.078 1.00 0.59 H new ATOM 0 HG22 VAL A 125 9.346 -14.236 -1.326 1.00 0.59 H new ATOM 0 HG23 VAL A 125 9.900 -12.555 -1.138 1.00 0.59 H new ATOM 1749 N LYS A 126 10.369 -12.048 -5.761 1.00 0.68 N ATOM 1750 CA LYS A 126 10.477 -11.863 -7.199 1.00 0.76 C ATOM 1751 C LYS A 126 11.666 -10.950 -7.527 1.00 0.75 C ATOM 1752 O LYS A 126 11.527 -9.746 -7.735 1.00 0.73 O ATOM 1753 CB LYS A 126 9.148 -11.388 -7.836 1.00 0.80 C ATOM 1754 CG LYS A 126 8.266 -10.486 -6.973 1.00 0.73 C ATOM 1755 CD LYS A 126 8.816 -9.078 -6.898 1.00 0.71 C ATOM 1756 CE LYS A 126 7.780 -8.054 -6.461 1.00 0.73 C ATOM 1757 NZ LYS A 126 6.847 -7.667 -7.552 1.00 1.12 N ATOM 0 H LYS A 126 10.404 -11.186 -5.217 1.00 0.68 H new ATOM 0 HA LYS A 126 10.675 -12.833 -7.655 1.00 0.76 H new ATOM 0 HB2 LYS A 126 9.382 -10.856 -8.758 1.00 0.80 H new ATOM 0 HB3 LYS A 126 8.568 -12.268 -8.114 1.00 0.80 H new ATOM 0 HG2 LYS A 126 7.257 -10.462 -7.384 1.00 0.73 H new ATOM 0 HG3 LYS A 126 8.191 -10.902 -5.968 1.00 0.73 H new ATOM 0 HD2 LYS A 126 9.654 -9.058 -6.201 1.00 0.71 H new ATOM 0 HD3 LYS A 126 9.208 -8.795 -7.875 1.00 0.71 H new ATOM 0 HE2 LYS A 126 7.207 -8.459 -5.627 1.00 0.73 H new ATOM 0 HE3 LYS A 126 8.290 -7.163 -6.094 1.00 0.73 H new ATOM 0 HZ1 LYS A 126 6.413 -6.748 -7.328 1.00 1.12 H new ATOM 0 HZ2 LYS A 126 7.371 -7.594 -8.447 1.00 1.12 H new ATOM 0 HZ3 LYS A 126 6.103 -8.388 -7.644 1.00 1.12 H new ATOM 1771 N PRO A 127 12.873 -11.546 -7.547 1.00 0.80 N ATOM 1772 CA PRO A 127 14.144 -10.813 -7.660 1.00 0.83 C ATOM 1773 C PRO A 127 14.384 -10.198 -9.030 1.00 0.92 C ATOM 1774 O PRO A 127 15.143 -9.239 -9.161 1.00 0.96 O ATOM 1775 CB PRO A 127 15.196 -11.892 -7.386 1.00 0.87 C ATOM 1776 CG PRO A 127 14.541 -13.161 -7.801 1.00 0.97 C ATOM 1777 CD PRO A 127 13.089 -13.000 -7.450 1.00 0.86 C ATOM 0 HA PRO A 127 14.164 -9.965 -6.975 1.00 0.83 H new ATOM 0 HB2 PRO A 127 16.108 -11.711 -7.955 1.00 0.87 H new ATOM 0 HB3 PRO A 127 15.476 -11.915 -6.333 1.00 0.87 H new ATOM 0 HG2 PRO A 127 14.669 -13.337 -8.869 1.00 0.97 H new ATOM 0 HG3 PRO A 127 14.977 -14.015 -7.283 1.00 0.97 H new ATOM 0 HD2 PRO A 127 12.446 -13.548 -8.138 1.00 0.86 H new ATOM 0 HD3 PRO A 127 12.874 -13.372 -6.448 1.00 0.86 H new ATOM 1785 N HIS A 128 13.751 -10.747 -10.051 1.00 0.99 N ATOM 1786 CA HIS A 128 13.968 -10.274 -11.408 1.00 1.12 C ATOM 1787 C HIS A 128 12.778 -9.454 -11.863 1.00 1.04 C ATOM 1788 O HIS A 128 12.640 -9.122 -13.038 1.00 1.11 O ATOM 1789 CB HIS A 128 14.223 -11.451 -12.354 1.00 1.33 C ATOM 1790 CG HIS A 128 15.515 -12.158 -12.077 1.00 2.00 C ATOM 1791 ND1 HIS A 128 15.883 -13.336 -12.683 1.00 2.75 N ATOM 1792 CD2 HIS A 128 16.537 -11.828 -11.255 1.00 2.49 C ATOM 1793 CE1 HIS A 128 17.076 -13.698 -12.249 1.00 3.56 C ATOM 1794 NE2 HIS A 128 17.498 -12.799 -11.382 1.00 3.37 N ATOM 0 H HIS A 128 13.086 -11.516 -9.969 1.00 0.99 H new ATOM 0 HA HIS A 128 14.853 -9.637 -11.426 1.00 1.12 H new ATOM 0 HB2 HIS A 128 13.401 -12.162 -12.270 1.00 1.33 H new ATOM 0 HB3 HIS A 128 14.227 -11.089 -13.382 1.00 1.33 H new ATOM 0 HD2 HIS A 128 16.587 -10.959 -10.616 1.00 2.49 H new ATOM 0 HE1 HIS A 128 17.616 -14.583 -12.553 1.00 3.56 H new ATOM 0 HE2 HIS A 128 18.390 -12.822 -10.888 1.00 3.37 H new ATOM 1803 N ASP A 129 11.934 -9.119 -10.903 1.00 0.92 N ATOM 1804 CA ASP A 129 10.747 -8.325 -11.157 1.00 0.89 C ATOM 1805 C ASP A 129 11.027 -6.851 -10.867 1.00 0.83 C ATOM 1806 O ASP A 129 11.350 -6.482 -9.736 1.00 0.80 O ATOM 1807 CB ASP A 129 9.600 -8.846 -10.297 1.00 0.89 C ATOM 1808 CG ASP A 129 8.299 -8.131 -10.549 1.00 0.89 C ATOM 1809 OD1 ASP A 129 7.530 -8.560 -11.435 1.00 1.09 O ATOM 1810 OD2 ASP A 129 8.022 -7.150 -9.847 1.00 1.11 O ATOM 0 H ASP A 129 12.053 -9.390 -9.927 1.00 0.92 H new ATOM 0 HA ASP A 129 10.465 -8.410 -12.206 1.00 0.89 H new ATOM 0 HB2 ASP A 129 9.465 -9.911 -10.488 1.00 0.89 H new ATOM 0 HB3 ASP A 129 9.867 -8.742 -9.245 1.00 0.89 H new ATOM 1815 N LYS A 130 10.936 -6.026 -11.911 1.00 0.85 N ATOM 1816 CA LYS A 130 11.256 -4.593 -11.832 1.00 0.89 C ATOM 1817 C LYS A 130 10.494 -3.884 -10.717 1.00 0.84 C ATOM 1818 O LYS A 130 11.004 -2.934 -10.132 1.00 0.84 O ATOM 1819 CB LYS A 130 10.977 -3.883 -13.171 1.00 1.04 C ATOM 1820 CG LYS A 130 9.504 -3.592 -13.455 1.00 1.18 C ATOM 1821 CD LYS A 130 8.730 -4.832 -13.885 1.00 1.44 C ATOM 1822 CE LYS A 130 9.163 -5.321 -15.261 1.00 2.28 C ATOM 1823 NZ LYS A 130 8.977 -4.283 -16.311 1.00 3.05 N ATOM 0 H LYS A 130 10.638 -6.329 -12.838 1.00 0.85 H new ATOM 0 HA LYS A 130 12.321 -4.535 -11.605 1.00 0.89 H new ATOM 0 HB2 LYS A 130 11.527 -2.942 -13.187 1.00 1.04 H new ATOM 0 HB3 LYS A 130 11.373 -4.497 -13.980 1.00 1.04 H new ATOM 0 HG2 LYS A 130 9.042 -3.173 -12.561 1.00 1.18 H new ATOM 0 HG3 LYS A 130 9.432 -2.835 -14.236 1.00 1.18 H new ATOM 0 HD2 LYS A 130 8.880 -5.626 -13.153 1.00 1.44 H new ATOM 0 HD3 LYS A 130 7.663 -4.608 -13.898 1.00 1.44 H new ATOM 0 HE2 LYS A 130 10.212 -5.616 -15.226 1.00 2.28 H new ATOM 0 HE3 LYS A 130 8.590 -6.210 -15.526 1.00 2.28 H new ATOM 0 HZ1 LYS A 130 8.556 -4.717 -17.157 1.00 3.05 H new ATOM 0 HZ2 LYS A 130 8.346 -3.537 -15.954 1.00 3.05 H new ATOM 0 HZ3 LYS A 130 9.899 -3.869 -16.557 1.00 3.05 H new ATOM 1837 N ASP A 131 9.285 -4.348 -10.432 1.00 0.86 N ATOM 1838 CA ASP A 131 8.453 -3.750 -9.393 1.00 0.90 C ATOM 1839 C ASP A 131 9.166 -3.825 -8.052 1.00 0.77 C ATOM 1840 O ASP A 131 9.250 -2.836 -7.323 1.00 0.80 O ATOM 1841 CB ASP A 131 7.104 -4.481 -9.352 1.00 1.05 C ATOM 1842 CG ASP A 131 6.234 -4.120 -8.165 1.00 1.45 C ATOM 1843 OD1 ASP A 131 5.658 -3.013 -8.159 1.00 1.60 O ATOM 1844 OD2 ASP A 131 6.083 -4.978 -7.261 1.00 1.82 O ATOM 0 H ASP A 131 8.855 -5.141 -10.908 1.00 0.86 H new ATOM 0 HA ASP A 131 8.273 -2.698 -9.614 1.00 0.90 H new ATOM 0 HB2 ASP A 131 6.557 -4.261 -10.269 1.00 1.05 H new ATOM 0 HB3 ASP A 131 7.287 -5.556 -9.340 1.00 1.05 H new ATOM 1849 N ALA A 132 9.735 -4.986 -7.766 1.00 0.69 N ATOM 1850 CA ALA A 132 10.517 -5.171 -6.554 1.00 0.62 C ATOM 1851 C ALA A 132 11.818 -4.405 -6.644 1.00 0.59 C ATOM 1852 O ALA A 132 12.143 -3.604 -5.767 1.00 0.56 O ATOM 1853 CB ALA A 132 10.822 -6.636 -6.330 1.00 0.65 C ATOM 0 H ALA A 132 9.670 -5.815 -8.357 1.00 0.69 H new ATOM 0 HA ALA A 132 9.928 -4.795 -5.717 1.00 0.62 H new ATOM 0 HB1 ALA A 132 11.408 -6.750 -5.418 1.00 0.65 H new ATOM 0 HB2 ALA A 132 9.889 -7.191 -6.234 1.00 0.65 H new ATOM 0 HB3 ALA A 132 11.389 -7.023 -7.176 1.00 0.65 H new ATOM 1859 N LYS A 133 12.550 -4.660 -7.727 1.00 0.63 N ATOM 1860 CA LYS A 133 13.866 -4.075 -7.924 1.00 0.66 C ATOM 1861 C LYS A 133 13.819 -2.566 -7.781 1.00 0.65 C ATOM 1862 O LYS A 133 14.510 -2.011 -6.944 1.00 0.63 O ATOM 1863 CB LYS A 133 14.437 -4.447 -9.297 1.00 0.74 C ATOM 1864 CG LYS A 133 14.627 -5.939 -9.495 1.00 0.75 C ATOM 1865 CD LYS A 133 15.444 -6.262 -10.740 1.00 0.95 C ATOM 1866 CE LYS A 133 14.737 -5.860 -12.029 1.00 1.21 C ATOM 1867 NZ LYS A 133 15.030 -4.456 -12.430 1.00 1.93 N ATOM 0 H LYS A 133 12.247 -5.273 -8.484 1.00 0.63 H new ATOM 0 HA LYS A 133 14.520 -4.481 -7.152 1.00 0.66 H new ATOM 0 HB2 LYS A 133 13.771 -4.069 -10.072 1.00 0.74 H new ATOM 0 HB3 LYS A 133 15.396 -3.947 -9.429 1.00 0.74 H new ATOM 0 HG2 LYS A 133 15.123 -6.358 -8.620 1.00 0.75 H new ATOM 0 HG3 LYS A 133 13.652 -6.420 -9.569 1.00 0.75 H new ATOM 0 HD2 LYS A 133 16.404 -5.750 -10.682 1.00 0.95 H new ATOM 0 HD3 LYS A 133 15.654 -7.331 -10.764 1.00 0.95 H new ATOM 0 HE2 LYS A 133 15.040 -6.534 -12.831 1.00 1.21 H new ATOM 0 HE3 LYS A 133 13.661 -5.980 -11.902 1.00 1.21 H new ATOM 0 HZ1 LYS A 133 14.137 -3.940 -12.566 1.00 1.93 H new ATOM 0 HZ2 LYS A 133 15.588 -3.991 -11.685 1.00 1.93 H new ATOM 0 HZ3 LYS A 133 15.570 -4.454 -13.319 1.00 1.93 H new ATOM 1881 N MET A 134 12.963 -1.925 -8.560 1.00 0.68 N ATOM 1882 CA MET A 134 12.924 -0.468 -8.647 1.00 0.72 C ATOM 1883 C MET A 134 13.014 0.197 -7.279 1.00 0.65 C ATOM 1884 O MET A 134 13.866 1.056 -7.049 1.00 0.68 O ATOM 1885 CB MET A 134 11.639 -0.013 -9.334 1.00 0.78 C ATOM 1886 CG MET A 134 11.485 1.497 -9.381 1.00 0.84 C ATOM 1887 SD MET A 134 9.940 2.020 -10.153 1.00 0.97 S ATOM 1888 CE MET A 134 10.066 1.199 -11.743 1.00 1.61 C ATOM 0 H MET A 134 12.276 -2.395 -9.150 1.00 0.68 H new ATOM 0 HA MET A 134 13.793 -0.165 -9.230 1.00 0.72 H new ATOM 0 HB2 MET A 134 11.621 -0.405 -10.351 1.00 0.78 H new ATOM 0 HB3 MET A 134 10.784 -0.442 -8.811 1.00 0.78 H new ATOM 0 HG2 MET A 134 11.531 1.894 -8.367 1.00 0.84 H new ATOM 0 HG3 MET A 134 12.323 1.926 -9.930 1.00 0.84 H new ATOM 0 HE1 MET A 134 9.373 1.661 -12.447 1.00 1.61 H new ATOM 0 HE2 MET A 134 11.084 1.293 -12.121 1.00 1.61 H new ATOM 0 HE3 MET A 134 9.817 0.144 -11.628 1.00 1.61 H new ATOM 1898 N LYS A 135 12.142 -0.217 -6.375 1.00 0.59 N ATOM 1899 CA LYS A 135 12.090 0.368 -5.046 1.00 0.54 C ATOM 1900 C LYS A 135 13.157 -0.235 -4.135 1.00 0.48 C ATOM 1901 O LYS A 135 13.678 0.447 -3.251 1.00 0.46 O ATOM 1902 CB LYS A 135 10.701 0.188 -4.444 1.00 0.54 C ATOM 1903 CG LYS A 135 9.736 1.327 -4.749 1.00 0.65 C ATOM 1904 CD LYS A 135 9.406 1.414 -6.230 1.00 0.76 C ATOM 1905 CE LYS A 135 8.383 2.504 -6.509 1.00 1.05 C ATOM 1906 NZ LYS A 135 7.933 2.496 -7.926 1.00 1.94 N ATOM 0 H LYS A 135 11.459 -0.957 -6.538 1.00 0.59 H new ATOM 0 HA LYS A 135 12.296 1.435 -5.135 1.00 0.54 H new ATOM 0 HB2 LYS A 135 10.274 -0.744 -4.815 1.00 0.54 H new ATOM 0 HB3 LYS A 135 10.796 0.087 -3.363 1.00 0.54 H new ATOM 0 HG2 LYS A 135 8.817 1.185 -4.181 1.00 0.65 H new ATOM 0 HG3 LYS A 135 10.172 2.270 -4.419 1.00 0.65 H new ATOM 0 HD2 LYS A 135 10.316 1.614 -6.796 1.00 0.76 H new ATOM 0 HD3 LYS A 135 9.021 0.455 -6.575 1.00 0.76 H new ATOM 0 HE2 LYS A 135 7.522 2.369 -5.854 1.00 1.05 H new ATOM 0 HE3 LYS A 135 8.815 3.476 -6.271 1.00 1.05 H new ATOM 0 HZ1 LYS A 135 7.566 3.436 -8.179 1.00 1.94 H new ATOM 0 HZ2 LYS A 135 8.736 2.260 -8.544 1.00 1.94 H new ATOM 0 HZ3 LYS A 135 7.182 1.787 -8.048 1.00 1.94 H new ATOM 1920 N TYR A 136 13.489 -1.504 -4.357 1.00 0.48 N ATOM 1921 CA TYR A 136 14.557 -2.153 -3.604 1.00 0.46 C ATOM 1922 C TYR A 136 15.866 -1.408 -3.791 1.00 0.47 C ATOM 1923 O TYR A 136 16.526 -1.047 -2.828 1.00 0.48 O ATOM 1924 CB TYR A 136 14.756 -3.607 -4.045 1.00 0.48 C ATOM 1925 CG TYR A 136 16.000 -4.235 -3.447 1.00 0.48 C ATOM 1926 CD1 TYR A 136 16.113 -4.440 -2.075 1.00 0.48 C ATOM 1927 CD2 TYR A 136 17.070 -4.598 -4.254 1.00 0.54 C ATOM 1928 CE1 TYR A 136 17.258 -4.989 -1.529 1.00 0.51 C ATOM 1929 CE2 TYR A 136 18.215 -5.152 -3.716 1.00 0.57 C ATOM 1930 CZ TYR A 136 18.307 -5.343 -2.354 1.00 0.54 C ATOM 1931 OH TYR A 136 19.454 -5.885 -1.816 1.00 0.59 O ATOM 0 H TYR A 136 13.036 -2.101 -5.049 1.00 0.48 H new ATOM 0 HA TYR A 136 14.262 -2.138 -2.555 1.00 0.46 H new ATOM 0 HB2 TYR A 136 13.883 -4.193 -3.756 1.00 0.48 H new ATOM 0 HB3 TYR A 136 14.821 -3.647 -5.132 1.00 0.48 H new ATOM 0 HD1 TYR A 136 15.294 -4.166 -1.427 1.00 0.48 H new ATOM 0 HD2 TYR A 136 17.006 -4.444 -5.321 1.00 0.54 H new ATOM 0 HE1 TYR A 136 17.332 -5.140 -0.462 1.00 0.51 H new ATOM 0 HE2 TYR A 136 19.035 -5.434 -4.360 1.00 0.57 H new ATOM 0 HH TYR A 136 20.092 -6.078 -2.534 1.00 0.59 H new ATOM 1941 N GLN A 137 16.216 -1.175 -5.042 1.00 0.49 N ATOM 1942 CA GLN A 137 17.487 -0.565 -5.392 1.00 0.51 C ATOM 1943 C GLN A 137 17.436 0.916 -5.071 1.00 0.53 C ATOM 1944 O GLN A 137 18.452 1.530 -4.764 1.00 0.57 O ATOM 1945 CB GLN A 137 17.776 -0.796 -6.877 1.00 0.55 C ATOM 1946 CG GLN A 137 17.244 -2.132 -7.366 1.00 0.61 C ATOM 1947 CD GLN A 137 17.327 -2.317 -8.860 1.00 1.17 C ATOM 1948 OE1 GLN A 137 16.481 -1.833 -9.608 1.00 2.09 O ATOM 1949 NE2 GLN A 137 18.290 -3.087 -9.294 1.00 1.24 N ATOM 0 H GLN A 137 15.629 -1.403 -5.844 1.00 0.49 H new ATOM 0 HA GLN A 137 18.292 -1.019 -4.813 1.00 0.51 H new ATOM 0 HB2 GLN A 137 17.327 0.007 -7.462 1.00 0.55 H new ATOM 0 HB3 GLN A 137 18.852 -0.751 -7.047 1.00 0.55 H new ATOM 0 HG2 GLN A 137 17.801 -2.933 -6.880 1.00 0.61 H new ATOM 0 HG3 GLN A 137 16.204 -2.233 -7.055 1.00 0.61 H new ATOM 0 HE21 GLN A 137 18.972 -3.469 -8.639 1.00 1.24 H new ATOM 0 HE22 GLN A 137 18.359 -3.306 -10.288 1.00 1.24 H new ATOM 1958 N GLU A 138 16.228 1.472 -5.120 1.00 0.53 N ATOM 1959 CA GLU A 138 16.001 2.855 -4.734 1.00 0.57 C ATOM 1960 C GLU A 138 16.348 3.039 -3.263 1.00 0.54 C ATOM 1961 O GLU A 138 17.060 3.967 -2.887 1.00 0.60 O ATOM 1962 CB GLU A 138 14.540 3.238 -4.961 1.00 0.60 C ATOM 1963 CG GLU A 138 14.308 4.736 -4.955 1.00 0.69 C ATOM 1964 CD GLU A 138 14.022 5.275 -6.339 1.00 1.33 C ATOM 1965 OE1 GLU A 138 14.975 5.407 -7.135 1.00 1.46 O ATOM 1966 OE2 GLU A 138 12.844 5.559 -6.642 1.00 2.04 O ATOM 0 H GLU A 138 15.389 0.979 -5.426 1.00 0.53 H new ATOM 0 HA GLU A 138 16.635 3.497 -5.345 1.00 0.57 H new ATOM 0 HB2 GLU A 138 14.208 2.829 -5.915 1.00 0.60 H new ATOM 0 HB3 GLU A 138 13.926 2.779 -4.186 1.00 0.60 H new ATOM 0 HG2 GLU A 138 13.472 4.970 -4.296 1.00 0.69 H new ATOM 0 HG3 GLU A 138 15.186 5.236 -4.546 1.00 0.69 H new ATOM 1973 N CYS A 139 15.837 2.140 -2.436 1.00 0.47 N ATOM 1974 CA CYS A 139 16.131 2.160 -1.016 1.00 0.44 C ATOM 1975 C CYS A 139 17.579 1.752 -0.782 1.00 0.43 C ATOM 1976 O CYS A 139 18.285 2.365 0.013 1.00 0.42 O ATOM 1977 CB CYS A 139 15.200 1.213 -0.260 1.00 0.42 C ATOM 1978 SG CYS A 139 15.395 1.282 1.525 1.00 1.06 S ATOM 0 H CYS A 139 15.215 1.386 -2.727 1.00 0.47 H new ATOM 0 HA CYS A 139 15.975 3.173 -0.644 1.00 0.44 H new ATOM 0 HB2 CYS A 139 14.168 1.453 -0.514 1.00 0.42 H new ATOM 0 HB3 CYS A 139 15.382 0.193 -0.597 1.00 0.42 H new ATOM 0 HG CYS A 139 14.759 2.315 1.991 1.00 1.06 H new ATOM 1984 N ASN A 140 18.006 0.719 -1.498 1.00 0.45 N ATOM 1985 CA ASN A 140 19.360 0.187 -1.390 1.00 0.48 C ATOM 1986 C ASN A 140 20.395 1.283 -1.593 1.00 0.52 C ATOM 1987 O ASN A 140 21.266 1.480 -0.746 1.00 0.54 O ATOM 1988 CB ASN A 140 19.561 -0.937 -2.415 1.00 0.52 C ATOM 1989 CG ASN A 140 20.976 -1.479 -2.443 1.00 0.60 C ATOM 1990 OD1 ASN A 140 21.814 -1.007 -3.206 1.00 1.22 O ATOM 1991 ND2 ASN A 140 21.242 -2.485 -1.627 1.00 1.13 N ATOM 0 H ASN A 140 17.422 0.225 -2.172 1.00 0.45 H new ATOM 0 HA ASN A 140 19.494 -0.217 -0.387 1.00 0.48 H new ATOM 0 HB2 ASN A 140 18.872 -1.751 -2.190 1.00 0.52 H new ATOM 0 HB3 ASN A 140 19.302 -0.565 -3.406 1.00 0.52 H new ATOM 0 HD21 ASN A 140 22.174 -2.900 -1.615 1.00 1.13 H new ATOM 0 HD22 ASN A 140 20.515 -2.846 -1.009 1.00 1.13 H new ATOM 1998 N LYS A 141 20.280 2.011 -2.699 1.00 0.56 N ATOM 1999 CA LYS A 141 21.208 3.094 -2.985 1.00 0.63 C ATOM 2000 C LYS A 141 21.123 4.168 -1.910 1.00 0.60 C ATOM 2001 O LYS A 141 22.142 4.683 -1.470 1.00 0.65 O ATOM 2002 CB LYS A 141 20.938 3.720 -4.356 1.00 0.70 C ATOM 2003 CG LYS A 141 19.573 4.373 -4.469 1.00 0.69 C ATOM 2004 CD LYS A 141 19.498 5.311 -5.654 1.00 0.81 C ATOM 2005 CE LYS A 141 18.115 5.930 -5.780 1.00 0.85 C ATOM 2006 NZ LYS A 141 17.939 6.635 -7.076 1.00 1.15 N ATOM 0 H LYS A 141 19.558 1.871 -3.406 1.00 0.56 H new ATOM 0 HA LYS A 141 22.211 2.668 -2.994 1.00 0.63 H new ATOM 0 HB2 LYS A 141 21.706 4.465 -4.563 1.00 0.70 H new ATOM 0 HB3 LYS A 141 21.027 2.949 -5.122 1.00 0.70 H new ATOM 0 HG2 LYS A 141 18.808 3.603 -4.566 1.00 0.69 H new ATOM 0 HG3 LYS A 141 19.356 4.924 -3.554 1.00 0.69 H new ATOM 0 HD2 LYS A 141 20.243 6.099 -5.545 1.00 0.81 H new ATOM 0 HD3 LYS A 141 19.740 4.767 -6.567 1.00 0.81 H new ATOM 0 HE2 LYS A 141 17.359 5.151 -5.685 1.00 0.85 H new ATOM 0 HE3 LYS A 141 17.955 6.631 -4.961 1.00 0.85 H new ATOM 0 HZ1 LYS A 141 16.983 6.454 -7.443 1.00 1.15 H new ATOM 0 HZ2 LYS A 141 18.068 7.657 -6.935 1.00 1.15 H new ATOM 0 HZ3 LYS A 141 18.643 6.288 -7.758 1.00 1.15 H new ATOM 2020 N ILE A 142 19.902 4.485 -1.476 1.00 0.54 N ATOM 2021 CA ILE A 142 19.690 5.530 -0.485 1.00 0.52 C ATOM 2022 C ILE A 142 20.293 5.148 0.861 1.00 0.49 C ATOM 2023 O ILE A 142 20.831 5.995 1.581 1.00 0.51 O ATOM 2024 CB ILE A 142 18.194 5.887 -0.347 1.00 0.50 C ATOM 2025 CG1 ILE A 142 17.757 6.680 -1.586 1.00 0.58 C ATOM 2026 CG2 ILE A 142 17.927 6.666 0.937 1.00 0.49 C ATOM 2027 CD1 ILE A 142 16.398 7.333 -1.465 1.00 0.60 C ATOM 0 H ILE A 142 19.048 4.030 -1.798 1.00 0.54 H new ATOM 0 HA ILE A 142 20.207 6.422 -0.838 1.00 0.52 H new ATOM 0 HB ILE A 142 17.608 4.970 -0.284 1.00 0.50 H new ATOM 0 HG12 ILE A 142 18.500 7.451 -1.789 1.00 0.58 H new ATOM 0 HG13 ILE A 142 17.749 6.011 -2.446 1.00 0.58 H new ATOM 0 HG21 ILE A 142 16.865 6.902 1.005 1.00 0.49 H new ATOM 0 HG22 ILE A 142 18.220 6.063 1.796 1.00 0.49 H new ATOM 0 HG23 ILE A 142 18.505 7.590 0.929 1.00 0.49 H new ATOM 0 HD11 ILE A 142 16.170 7.872 -2.385 1.00 0.60 H new ATOM 0 HD12 ILE A 142 15.641 6.568 -1.295 1.00 0.60 H new ATOM 0 HD13 ILE A 142 16.403 8.031 -0.628 1.00 0.60 H new ATOM 2039 N VAL A 143 20.237 3.872 1.182 1.00 0.46 N ATOM 2040 CA VAL A 143 20.902 3.370 2.365 1.00 0.47 C ATOM 2041 C VAL A 143 22.409 3.601 2.255 1.00 0.56 C ATOM 2042 O VAL A 143 23.073 3.893 3.244 1.00 0.59 O ATOM 2043 CB VAL A 143 20.608 1.872 2.590 1.00 0.47 C ATOM 2044 CG1 VAL A 143 21.455 1.326 3.719 1.00 0.55 C ATOM 2045 CG2 VAL A 143 19.131 1.658 2.888 1.00 0.41 C ATOM 0 H VAL A 143 19.739 3.165 0.641 1.00 0.46 H new ATOM 0 HA VAL A 143 20.514 3.916 3.225 1.00 0.47 H new ATOM 0 HB VAL A 143 20.861 1.333 1.677 1.00 0.47 H new ATOM 0 HG11 VAL A 143 21.233 0.268 3.862 1.00 0.55 H new ATOM 0 HG12 VAL A 143 22.510 1.445 3.473 1.00 0.55 H new ATOM 0 HG13 VAL A 143 21.233 1.871 4.637 1.00 0.55 H new ATOM 0 HG21 VAL A 143 18.941 0.596 3.044 1.00 0.41 H new ATOM 0 HG22 VAL A 143 18.857 2.211 3.786 1.00 0.41 H new ATOM 0 HG23 VAL A 143 18.535 2.013 2.047 1.00 0.41 H new ATOM 2055 N LYS A 144 22.935 3.506 1.037 1.00 0.63 N ATOM 2056 CA LYS A 144 24.359 3.725 0.797 1.00 0.74 C ATOM 2057 C LYS A 144 24.682 5.201 0.774 1.00 0.76 C ATOM 2058 O LYS A 144 25.821 5.594 1.032 1.00 0.85 O ATOM 2059 CB LYS A 144 24.790 3.104 -0.525 1.00 0.84 C ATOM 2060 CG LYS A 144 24.298 1.692 -0.688 1.00 0.83 C ATOM 2061 CD LYS A 144 24.805 1.051 -1.967 1.00 1.10 C ATOM 2062 CE LYS A 144 24.549 -0.446 -1.970 1.00 1.57 C ATOM 2063 NZ LYS A 144 25.435 -1.169 -1.019 1.00 2.23 N ATOM 0 H LYS A 144 22.397 3.279 0.201 1.00 0.63 H new ATOM 0 HA LYS A 144 24.902 3.249 1.614 1.00 0.74 H new ATOM 0 HB2 LYS A 144 24.415 3.713 -1.348 1.00 0.84 H new ATOM 0 HB3 LYS A 144 25.878 3.116 -0.590 1.00 0.84 H new ATOM 0 HG2 LYS A 144 24.619 1.096 0.167 1.00 0.83 H new ATOM 0 HG3 LYS A 144 23.208 1.687 -0.689 1.00 0.83 H new ATOM 0 HD2 LYS A 144 24.314 1.508 -2.826 1.00 1.10 H new ATOM 0 HD3 LYS A 144 25.873 1.240 -2.073 1.00 1.10 H new ATOM 0 HE2 LYS A 144 23.508 -0.635 -1.709 1.00 1.57 H new ATOM 0 HE3 LYS A 144 24.702 -0.837 -2.976 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 25.413 -2.187 -1.229 1.00 2.23 H new ATOM 0 HZ2 LYS A 144 26.409 -0.817 -1.116 1.00 2.23 H new ATOM 0 HZ3 LYS A 144 25.104 -1.009 -0.046 1.00 2.23 H new ATOM 2077 N GLN A 145 23.688 6.016 0.434 1.00 0.70 N ATOM 2078 CA GLN A 145 23.848 7.456 0.496 1.00 0.74 C ATOM 2079 C GLN A 145 24.204 7.835 1.918 1.00 0.75 C ATOM 2080 O GLN A 145 25.020 8.724 2.175 1.00 0.84 O ATOM 2081 CB GLN A 145 22.563 8.171 0.090 1.00 0.71 C ATOM 2082 CG GLN A 145 21.940 7.603 -1.161 1.00 0.72 C ATOM 2083 CD GLN A 145 22.661 7.992 -2.436 1.00 0.94 C ATOM 2084 OE1 GLN A 145 23.876 8.195 -2.449 1.00 1.36 O ATOM 2085 NE2 GLN A 145 21.912 8.099 -3.521 1.00 1.27 N ATOM 0 H GLN A 145 22.771 5.702 0.115 1.00 0.70 H new ATOM 0 HA GLN A 145 24.635 7.757 -0.195 1.00 0.74 H new ATOM 0 HB2 GLN A 145 21.845 8.107 0.908 1.00 0.71 H new ATOM 0 HB3 GLN A 145 22.776 9.229 -0.065 1.00 0.71 H new ATOM 0 HG2 GLN A 145 21.919 6.516 -1.084 1.00 0.72 H new ATOM 0 HG3 GLN A 145 20.905 7.938 -1.224 1.00 0.72 H new ATOM 0 HE21 GLN A 145 20.909 7.922 -3.468 1.00 1.27 H new ATOM 0 HE22 GLN A 145 22.338 8.358 -4.411 1.00 1.27 H new ATOM 2094 N LYS A 146 23.580 7.112 2.831 1.00 0.67 N ATOM 2095 CA LYS A 146 23.807 7.281 4.248 1.00 0.70 C ATOM 2096 C LYS A 146 25.044 6.515 4.702 1.00 0.84 C ATOM 2097 O LYS A 146 25.919 7.072 5.366 1.00 0.94 O ATOM 2098 CB LYS A 146 22.591 6.784 5.018 1.00 0.58 C ATOM 2099 CG LYS A 146 21.316 7.547 4.707 1.00 0.58 C ATOM 2100 CD LYS A 146 20.180 7.130 5.626 1.00 0.64 C ATOM 2101 CE LYS A 146 20.463 7.529 7.065 1.00 1.40 C ATOM 2102 NZ LYS A 146 19.301 7.277 7.953 1.00 1.73 N ATOM 0 H LYS A 146 22.898 6.388 2.605 1.00 0.67 H new ATOM 0 HA LYS A 146 23.968 8.341 4.446 1.00 0.70 H new ATOM 0 HB2 LYS A 146 22.436 5.729 4.793 1.00 0.58 H new ATOM 0 HB3 LYS A 146 22.795 6.855 6.086 1.00 0.58 H new ATOM 0 HG2 LYS A 146 21.496 8.617 4.812 1.00 0.58 H new ATOM 0 HG3 LYS A 146 21.030 7.372 3.670 1.00 0.58 H new ATOM 0 HD2 LYS A 146 19.251 7.593 5.293 1.00 0.64 H new ATOM 0 HD3 LYS A 146 20.038 6.051 5.566 1.00 0.64 H new ATOM 0 HE2 LYS A 146 21.326 6.973 7.432 1.00 1.40 H new ATOM 0 HE3 LYS A 146 20.725 8.586 7.103 1.00 1.40 H new ATOM 0 HZ1 LYS A 146 19.538 7.563 8.924 1.00 1.73 H new ATOM 0 HZ2 LYS A 146 18.484 7.827 7.620 1.00 1.73 H new ATOM 0 HZ3 LYS A 146 19.066 6.264 7.938 1.00 1.73 H new ATOM 2116 N ALA A 147 25.086 5.235 4.339 1.00 1.04 N ATOM 2117 CA ALA A 147 26.168 4.330 4.711 1.00 1.25 C ATOM 2118 C ALA A 147 26.179 4.091 6.218 1.00 1.72 C ATOM 2119 O ALA A 147 27.046 4.653 6.917 1.00 2.32 O ATOM 2120 CB ALA A 147 27.514 4.851 4.218 1.00 1.87 C ATOM 2121 OXT ALA A 147 25.291 3.348 6.703 1.00 2.18 O ATOM 0 H ALA A 147 24.362 4.794 3.772 1.00 1.04 H new ATOM 0 HA ALA A 147 25.992 3.371 4.224 1.00 1.25 H new ATOM 0 HB1 ALA A 147 28.302 4.156 4.510 1.00 1.87 H new ATOM 0 HB2 ALA A 147 27.494 4.941 3.132 1.00 1.87 H new ATOM 0 HB3 ALA A 147 27.710 5.828 4.660 1.00 1.87 H new TER 2127 ALA A 147 HETATM 2128 C ACE B 0 0.326 2.832 -14.809 1.00 5.84 C HETATM 2129 O ACE B 0 -0.488 2.971 -13.898 1.00 5.72 O HETATM 2130 CH3 ACE B 0 0.083 1.820 -15.900 1.00 6.73 C HETATM 0 H1 ACE B 0 0.039 2.327 -16.864 1.00 6.73 H new HETATM 0 H2 ACE B 0 0.895 1.093 -15.910 1.00 6.73 H new HETATM 0 H3 ACE B 0 -0.861 1.307 -15.716 1.00 6.73 H new ATOM 2134 N MET B 1 1.479 3.510 -14.892 1.00 5.58 N ATOM 2135 CA MET B 1 1.865 4.617 -13.993 1.00 5.12 C ATOM 2136 C MET B 1 1.885 4.208 -12.514 1.00 4.50 C ATOM 2137 O MET B 1 2.022 5.064 -11.638 1.00 4.70 O ATOM 2138 CB MET B 1 0.957 5.846 -14.209 1.00 5.46 C ATOM 2139 CG MET B 1 -0.390 5.786 -13.494 1.00 6.11 C ATOM 2140 SD MET B 1 -1.716 6.582 -14.425 1.00 6.75 S ATOM 2141 CE MET B 1 -3.122 6.236 -13.367 1.00 6.84 C ATOM 0 H MET B 1 2.186 3.304 -15.598 1.00 5.58 H new ATOM 0 HA MET B 1 2.888 4.885 -14.256 1.00 5.12 H new ATOM 0 HB2 MET B 1 1.490 6.736 -13.874 1.00 5.46 H new ATOM 0 HB3 MET B 1 0.779 5.964 -15.278 1.00 5.46 H new ATOM 0 HG2 MET B 1 -0.654 4.744 -13.314 1.00 6.11 H new ATOM 0 HG3 MET B 1 -0.300 6.265 -12.519 1.00 6.11 H new ATOM 0 HE1 MET B 1 -4.023 6.665 -13.807 1.00 6.84 H new ATOM 0 HE2 MET B 1 -3.245 5.158 -13.267 1.00 6.84 H new ATOM 0 HE3 MET B 1 -2.954 6.675 -12.384 1.00 6.84 H new ATOM 2151 N GLU B 2 1.805 2.900 -12.258 1.00 4.17 N ATOM 2152 CA GLU B 2 1.769 2.349 -10.900 1.00 3.92 C ATOM 2153 C GLU B 2 0.540 2.846 -10.136 1.00 3.09 C ATOM 2154 O GLU B 2 0.544 3.930 -9.549 1.00 3.38 O ATOM 2155 CB GLU B 2 3.058 2.672 -10.134 1.00 4.79 C ATOM 2156 CG GLU B 2 4.310 2.140 -10.817 1.00 5.50 C ATOM 2157 CD GLU B 2 5.566 2.356 -10.000 1.00 6.27 C ATOM 2158 OE1 GLU B 2 6.090 3.490 -9.987 1.00 6.64 O ATOM 2159 OE2 GLU B 2 6.048 1.391 -9.375 1.00 6.76 O ATOM 0 H GLU B 2 1.763 2.190 -12.989 1.00 4.17 H new ATOM 0 HA GLU B 2 1.696 1.265 -10.986 1.00 3.92 H new ATOM 0 HB2 GLU B 2 3.145 3.753 -10.021 1.00 4.79 H new ATOM 0 HB3 GLU B 2 2.992 2.251 -9.131 1.00 4.79 H new ATOM 0 HG2 GLU B 2 4.187 1.074 -11.010 1.00 5.50 H new ATOM 0 HG3 GLU B 2 4.424 2.628 -11.785 1.00 5.50 H new ATOM 2166 N GLU B 3 -0.515 2.041 -10.162 1.00 2.63 N ATOM 2167 CA GLU B 3 -1.792 2.418 -9.562 1.00 2.33 C ATOM 2168 C GLU B 3 -1.807 2.168 -8.053 1.00 1.99 C ATOM 2169 O GLU B 3 -0.785 1.816 -7.457 1.00 2.69 O ATOM 2170 CB GLU B 3 -2.924 1.646 -10.237 1.00 2.76 C ATOM 2171 CG GLU B 3 -3.064 1.953 -11.721 1.00 3.28 C ATOM 2172 CD GLU B 3 -3.921 0.939 -12.446 1.00 3.76 C ATOM 2173 OE1 GLU B 3 -5.154 1.127 -12.503 1.00 4.29 O ATOM 2174 OE2 GLU B 3 -3.361 -0.055 -12.964 1.00 4.07 O ATOM 0 H GLU B 3 -0.512 1.117 -10.595 1.00 2.63 H new ATOM 0 HA GLU B 3 -1.934 3.488 -9.716 1.00 2.33 H new ATOM 0 HB2 GLU B 3 -2.752 0.577 -10.109 1.00 2.76 H new ATOM 0 HB3 GLU B 3 -3.863 1.880 -9.735 1.00 2.76 H new ATOM 0 HG2 GLU B 3 -3.499 2.945 -11.844 1.00 3.28 H new ATOM 0 HG3 GLU B 3 -2.075 1.980 -12.178 1.00 3.28 H new ATOM 2181 N VAL B 4 -2.982 2.348 -7.455 1.00 1.33 N ATOM 2182 CA VAL B 4 -3.156 2.242 -6.008 1.00 1.08 C ATOM 2183 C VAL B 4 -2.800 0.850 -5.499 1.00 0.96 C ATOM 2184 O VAL B 4 -1.972 0.702 -4.603 1.00 1.58 O ATOM 2185 CB VAL B 4 -4.610 2.559 -5.599 1.00 1.16 C ATOM 2186 CG1 VAL B 4 -4.769 2.525 -4.088 1.00 1.73 C ATOM 2187 CG2 VAL B 4 -5.040 3.908 -6.154 1.00 1.88 C ATOM 0 H VAL B 4 -3.840 2.571 -7.959 1.00 1.33 H new ATOM 0 HA VAL B 4 -2.480 2.970 -5.559 1.00 1.08 H new ATOM 0 HB VAL B 4 -5.256 1.791 -6.023 1.00 1.16 H new ATOM 0 HG11 VAL B 4 -5.802 2.752 -3.826 1.00 1.73 H new ATOM 0 HG12 VAL B 4 -4.510 1.533 -3.717 1.00 1.73 H new ATOM 0 HG13 VAL B 4 -4.109 3.266 -3.636 1.00 1.73 H new ATOM 0 HG21 VAL B 4 -6.068 4.114 -5.855 1.00 1.88 H new ATOM 0 HG22 VAL B 4 -4.386 4.687 -5.764 1.00 1.88 H new ATOM 0 HG23 VAL B 4 -4.975 3.891 -7.242 1.00 1.88 H new ATOM 2197 N ASP B 5 -3.442 -0.160 -6.064 1.00 0.80 N ATOM 2198 CA ASP B 5 -3.186 -1.534 -5.678 1.00 0.80 C ATOM 2199 C ASP B 5 -2.579 -2.305 -6.841 1.00 1.61 C ATOM 2200 O ASP B 5 -1.359 -2.574 -6.794 1.00 2.34 O ATOM 2201 CB ASP B 5 -4.465 -2.214 -5.151 1.00 1.41 C ATOM 2202 CG ASP B 5 -5.641 -2.160 -6.115 1.00 2.34 C ATOM 2203 OD1 ASP B 5 -6.121 -1.044 -6.426 1.00 3.06 O ATOM 2204 OD2 ASP B 5 -6.123 -3.233 -6.534 1.00 2.81 O ATOM 2205 OXT ASP B 5 -3.299 -2.605 -7.814 1.00 2.28 O ATOM 0 H ASP B 5 -4.146 -0.051 -6.794 1.00 0.80 H new ATOM 0 HA ASP B 5 -2.465 -1.534 -4.861 1.00 0.80 H new ATOM 0 HB2 ASP B 5 -4.242 -3.257 -4.925 1.00 1.41 H new ATOM 0 HB3 ASP B 5 -4.756 -1.740 -4.214 1.00 1.41 H new TER 2210 ASP B 5