USER MOD reduce.3.24.130724 H: found=0, std=0, add=1176, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1168 hydrogens (33 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 115 GLN : amide:sc= -1.94 K(o=-1.9,f=-3.7!) USER MOD Set 1.2: A 117 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 98 ASN : amide:sc= 1.09 K(o=-0.78,f=-3.9) USER MOD Set 2.2: A 100 ASN : amide:sc= -1.87! C(o=-0.78!,f=-4!) USER MOD Set 3.1: A 67 THR OG1 : rot -29:sc= 0.0466 USER MOD Set 3.2: A 81 THR OG1 : rot 148:sc= -2.81! USER MOD Set 4.1: A 4 SER OG : rot 122:sc= 0.442 USER MOD Set 4.2: A 130 LYS NZ :NH3+ 167:sc= 0.426 (180deg=-0.105) USER MOD Single : A 0 GLN : amide:sc= -0.232 X(o=-0.23,f=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -1.93! USER MOD Single : A 7 LYS NZ :NH3+ 177:sc= 1.26 (180deg=1.22) USER MOD Single : A -1 THR OG1 : rot 180:sc= 0 USER MOD Single : A -4 HIS : no HD1:sc= -0.0894 X(o=-0.089,f=-0.096) USER MOD Single : A -5 HIS : no HD1:sc= -0.307 X(o=-0.31,f=-0.58) USER MOD Single : A -6 HIS : no HD1:sc= 0.0529 K(o=0.053,f=-0.79) USER MOD Single : A -7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -8 HIS : no HD1:sc= -0.302 X(o=-0.3,f=-0.13) USER MOD Single : A -9 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 11 SER OG : rot -7:sc= 0.33 USER MOD Single : A 13 ASN :FLIP amide:sc= -1.3 F(o=-7.2!,f=-1.3) USER MOD Single : A 14 TYR OH : rot 163:sc= 0.127 USER MOD Single : A 16 LYS NZ :NH3+ -151:sc= -0.305 (180deg=-1.33!) USER MOD Single : A 18 MET CE :methyl 164:sc= -0.023 (180deg=-0.429) USER MOD Single : A 20 LYS NZ :NH3+ 161:sc= 1.06 (180deg=0.842) USER MOD Single : A 21 MET CE :methyl 174:sc= 0 (180deg=-0.0323) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.0703 F(o=-0.96,f=-0.07) USER MOD Single : A 27 LYS NZ :NH3+ -140:sc= -0.0123 (180deg=-0.543) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS :FLIP no HE2:sc= 0.293 F(o=-1,f=0.29) USER MOD Single : A 35 ASN : amide:sc= -0.3 X(o=-0.3,f=-0.00058) USER MOD Single : A 37 LYS NZ :NH3+ 175:sc= 1.33 (180deg=1.22) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 53:sc= 0.175 USER MOD Single : A 42 GLN : amide:sc= -1.17 K(o=-1.2,f=-2.1) USER MOD Single : A 45 ASN : amide:sc= -0.858 X(o=-0.86,f=-0.46) USER MOD Single : A 46 LYS NZ :NH3+ -155:sc= 1.24 (180deg=0.287) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 50 LYS NZ :NH3+ -153:sc= 1.1 (180deg=0.251) USER MOD Single : A 52 SER OG : rot 180:sc= -0.48 USER MOD Single : A 53 SER OG : rot -75:sc= 0.222 USER MOD Single : A 57 ASN : amide:sc= -0.836 K(o=-0.84,f=-2.7!) USER MOD Single : A 69 ASN : amide:sc= -3.84! C(o=-3.8!,f=-9.4!) USER MOD Single : A 70 TYR OH : rot 30:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.37 K(o=-0.37,f=-2.1!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0268 USER MOD Single : A 83 SER OG : rot 23:sc= -0.353 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ -127:sc= 1.24 (180deg=-0.299) USER MOD Single : A 92 LYS NZ :NH3+ 146:sc= 1.18 (180deg=0.102!) USER MOD Single : A 94 LYS NZ :NH3+ 177:sc= 0.208 (180deg=0.184) USER MOD Single : A 96 THR OG1 : rot -41:sc= 0.025 USER MOD Single : A -10 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -2.36 X(o=-2.4,f=-2!) USER MOD Single : A 104 THR OG1 : rot -85:sc= 1.29 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ -167:sc= 1.05 (180deg=0.667) USER MOD Single : A 129 LYS NZ :NH3+ -158:sc= 0.648 (180deg=0.278) USER MOD Single : A 201 OLA O2 : rot -120:sc= 0.703 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A -10 -46.243 12.199 -9.770 1.00 41.55 N ATOM 2 CA ALA A -10 -46.987 11.528 -8.669 1.00 62.53 C ATOM 3 C ALA A -10 -46.030 10.980 -7.604 1.00 64.32 C ATOM 4 O ALA A -10 -45.846 11.602 -6.557 1.00 33.34 O ATOM 5 CB ALA A -10 -47.871 10.415 -9.225 1.00 3.13 C ATOM 0 H1 ALA A -10 -46.917 12.559 -10.475 1.00 41.55 H new ATOM 0 H2 ALA A -10 -45.690 12.990 -9.383 1.00 41.55 H new ATOM 0 H3 ALA A -10 -45.601 11.517 -10.222 1.00 41.55 H new ATOM 0 HA ALA A -10 -47.624 12.272 -8.190 1.00 62.53 H new ATOM 0 HB1 ALA A -10 -48.408 9.934 -8.407 1.00 3.13 H new ATOM 0 HB2 ALA A -10 -48.586 10.837 -9.931 1.00 3.13 H new ATOM 0 HB3 ALA A -10 -47.251 9.678 -9.734 1.00 3.13 H new ATOM 13 N HIS A -9 -45.421 9.816 -7.876 1.00 45.23 N ATOM 14 CA HIS A -9 -44.484 9.194 -6.934 1.00 2.01 C ATOM 15 C HIS A -9 -43.775 7.984 -7.555 1.00 13.41 C ATOM 16 O HIS A -9 -44.393 7.189 -8.268 1.00 33.13 O ATOM 17 CB HIS A -9 -45.214 8.763 -5.657 1.00 1.42 C ATOM 18 CG HIS A -9 -44.292 8.493 -4.509 1.00 0.42 C ATOM 19 ND1 HIS A -9 -43.624 7.299 -4.344 1.00 24.23 N ATOM 20 CD2 HIS A -9 -43.918 9.276 -3.469 1.00 41.32 C ATOM 21 CE1 HIS A -9 -42.880 7.356 -3.254 1.00 41.11 C ATOM 22 NE2 HIS A -9 -43.039 8.546 -2.704 1.00 52.35 N ATOM 0 H HIS A -9 -45.561 9.289 -8.738 1.00 45.23 H new ATOM 0 HA HIS A -9 -43.730 9.941 -6.687 1.00 2.01 H new ATOM 0 HB2 HIS A -9 -45.921 9.542 -5.371 1.00 1.42 H new ATOM 0 HB3 HIS A -9 -45.796 7.865 -5.865 1.00 1.42 H new ATOM 0 HD2 HIS A -9 -44.249 10.286 -3.276 1.00 41.32 H new ATOM 0 HE1 HIS A -9 -42.249 6.564 -2.877 1.00 41.11 H new ATOM 0 HE2 HIS A -9 -42.584 8.871 -1.851 1.00 52.35 H new ATOM 30 N HIS A -8 -42.472 7.853 -7.267 1.00 40.01 N ATOM 31 CA HIS A -8 -41.658 6.743 -7.782 1.00 51.32 C ATOM 32 C HIS A -8 -40.226 6.815 -7.234 1.00 0.25 C ATOM 33 O HIS A -8 -39.714 7.905 -6.969 1.00 72.14 O ATOM 34 CB HIS A -8 -41.632 6.767 -9.316 1.00 4.02 C ATOM 35 CG HIS A -8 -42.119 5.498 -9.949 1.00 40.21 C ATOM 36 ND1 HIS A -8 -41.665 5.042 -11.168 1.00 71.21 N ATOM 37 CD2 HIS A -8 -43.031 4.588 -9.528 1.00 25.15 C ATOM 38 CE1 HIS A -8 -42.274 3.910 -11.471 1.00 13.51 C ATOM 39 NE2 HIS A -8 -43.107 3.613 -10.492 1.00 4.00 N ATOM 0 H HIS A -8 -41.957 8.506 -6.677 1.00 40.01 H new ATOM 0 HA HIS A -8 -42.110 5.809 -7.448 1.00 51.32 H new ATOM 0 HB2 HIS A -8 -42.246 7.596 -9.668 1.00 4.02 H new ATOM 0 HB3 HIS A -8 -40.613 6.961 -9.650 1.00 4.02 H new ATOM 0 HD2 HIS A -8 -43.593 4.623 -8.606 1.00 25.15 H new ATOM 0 HE1 HIS A -8 -42.117 3.327 -12.367 1.00 13.51 H new ATOM 0 HE2 HIS A -8 -43.710 2.791 -10.457 1.00 4.00 H new ATOM 47 N HIS A -7 -39.582 5.650 -7.067 1.00 0.41 N ATOM 48 CA HIS A -7 -38.205 5.593 -6.551 1.00 40.03 C ATOM 49 C HIS A -7 -37.612 4.175 -6.642 1.00 23.34 C ATOM 50 O HIS A -7 -38.310 3.220 -6.990 1.00 75.22 O ATOM 51 CB HIS A -7 -38.161 6.093 -5.099 1.00 41.13 C ATOM 52 CG HIS A -7 -38.617 5.086 -4.087 1.00 34.40 C ATOM 53 ND1 HIS A -7 -37.748 4.396 -3.270 1.00 44.42 N ATOM 54 CD2 HIS A -7 -39.859 4.660 -3.754 1.00 34.13 C ATOM 55 CE1 HIS A -7 -38.432 3.589 -2.480 1.00 32.30 C ATOM 56 NE2 HIS A -7 -39.717 3.730 -2.752 1.00 25.31 N ATOM 0 H HIS A -7 -39.989 4.739 -7.280 1.00 0.41 H new ATOM 0 HA HIS A -7 -37.595 6.244 -7.177 1.00 40.03 H new ATOM 0 HB2 HIS A -7 -37.141 6.394 -4.861 1.00 41.13 H new ATOM 0 HB3 HIS A -7 -38.784 6.984 -5.014 1.00 41.13 H new ATOM 0 HD2 HIS A -7 -40.788 4.990 -4.194 1.00 34.13 H new ATOM 0 HE1 HIS A -7 -38.012 2.926 -1.738 1.00 32.30 H new ATOM 0 HE2 HIS A -7 -40.479 3.230 -2.293 1.00 25.31 H new ATOM 64 N HIS A -6 -36.312 4.055 -6.326 1.00 12.01 N ATOM 65 CA HIS A -6 -35.607 2.764 -6.368 1.00 45.03 C ATOM 66 C HIS A -6 -34.417 2.750 -5.387 1.00 51.21 C ATOM 67 O HIS A -6 -34.350 3.583 -4.481 1.00 55.12 O ATOM 68 CB HIS A -6 -35.130 2.475 -7.797 1.00 74.24 C ATOM 69 CG HIS A -6 -35.481 1.102 -8.281 1.00 31.35 C ATOM 70 ND1 HIS A -6 -34.628 0.025 -8.172 1.00 4.01 N ATOM 71 CD2 HIS A -6 -36.599 0.633 -8.884 1.00 21.22 C ATOM 72 CE1 HIS A -6 -35.204 -1.046 -8.687 1.00 11.51 C ATOM 73 NE2 HIS A -6 -36.402 -0.705 -9.126 1.00 13.40 N ATOM 0 H HIS A -6 -35.727 4.839 -6.038 1.00 12.01 H new ATOM 0 HA HIS A -6 -36.301 1.982 -6.061 1.00 45.03 H new ATOM 0 HB2 HIS A -6 -35.566 3.211 -8.472 1.00 74.24 H new ATOM 0 HB3 HIS A -6 -34.048 2.602 -7.842 1.00 74.24 H new ATOM 0 HD2 HIS A -6 -37.482 1.205 -9.129 1.00 21.22 H new ATOM 0 HE1 HIS A -6 -34.769 -2.033 -8.740 1.00 11.51 H new ATOM 0 HE2 HIS A -6 -37.071 -1.332 -9.572 1.00 13.40 H new ATOM 81 N HIS A -5 -33.485 1.797 -5.561 1.00 52.33 N ATOM 82 CA HIS A -5 -32.315 1.688 -4.674 1.00 44.14 C ATOM 83 C HIS A -5 -31.194 0.836 -5.301 1.00 21.10 C ATOM 84 O HIS A -5 -31.407 0.167 -6.316 1.00 13.21 O ATOM 85 CB HIS A -5 -32.740 1.088 -3.330 1.00 0.53 C ATOM 86 CG HIS A -5 -31.808 1.411 -2.204 1.00 51.34 C ATOM 87 ND1 HIS A -5 -31.221 2.647 -2.042 1.00 31.44 N ATOM 88 CD2 HIS A -5 -31.359 0.649 -1.179 1.00 3.01 C ATOM 89 CE1 HIS A -5 -30.451 2.633 -0.970 1.00 33.22 C ATOM 90 NE2 HIS A -5 -30.517 1.432 -0.427 1.00 63.34 N ATOM 0 H HIS A -5 -33.519 1.097 -6.302 1.00 52.33 H new ATOM 0 HA HIS A -5 -31.917 2.691 -4.522 1.00 44.14 H new ATOM 0 HB2 HIS A -5 -33.737 1.450 -3.080 1.00 0.53 H new ATOM 0 HB3 HIS A -5 -32.811 0.005 -3.432 1.00 0.53 H new ATOM 0 HD2 HIS A -5 -31.615 -0.383 -0.988 1.00 3.01 H new ATOM 0 HE1 HIS A -5 -29.867 3.463 -0.600 1.00 33.22 H new ATOM 0 HE2 HIS A -5 -30.023 1.134 0.414 1.00 63.34 H new ATOM 98 N HIS A -4 -29.994 0.869 -4.689 1.00 60.22 N ATOM 99 CA HIS A -4 -28.840 0.104 -5.191 1.00 43.42 C ATOM 100 C HIS A -4 -27.855 -0.271 -4.062 1.00 73.41 C ATOM 101 O HIS A -4 -28.210 -0.234 -2.881 1.00 45.34 O ATOM 102 CB HIS A -4 -28.112 0.904 -6.276 1.00 61.51 C ATOM 103 CG HIS A -4 -27.321 2.064 -5.746 1.00 42.01 C ATOM 104 ND1 HIS A -4 -27.903 3.207 -5.242 1.00 32.30 N ATOM 105 CD2 HIS A -4 -25.983 2.248 -5.636 1.00 44.41 C ATOM 106 CE1 HIS A -4 -26.961 4.044 -4.846 1.00 62.32 C ATOM 107 NE2 HIS A -4 -25.786 3.485 -5.073 1.00 43.04 N ATOM 0 H HIS A -4 -29.801 1.415 -3.850 1.00 60.22 H new ATOM 0 HA HIS A -4 -29.223 -0.825 -5.614 1.00 43.42 H new ATOM 0 HB2 HIS A -4 -27.442 0.237 -6.818 1.00 61.51 H new ATOM 0 HB3 HIS A -4 -28.844 1.273 -6.994 1.00 61.51 H new ATOM 0 HD2 HIS A -4 -25.214 1.551 -5.936 1.00 44.41 H new ATOM 0 HE1 HIS A -4 -27.124 5.019 -4.411 1.00 62.32 H new ATOM 0 HE2 HIS A -4 -24.880 3.904 -4.864 1.00 43.04 H new ATOM 115 N VAL A -3 -26.616 -0.640 -4.444 1.00 42.54 N ATOM 116 CA VAL A -3 -25.576 -1.029 -3.480 1.00 0.43 C ATOM 117 C VAL A -3 -24.164 -0.913 -4.093 1.00 41.01 C ATOM 118 O VAL A -3 -24.025 -0.765 -5.310 1.00 53.33 O ATOM 119 CB VAL A -3 -25.817 -2.473 -2.980 1.00 20.50 C ATOM 120 CG1 VAL A -3 -25.149 -3.498 -3.890 1.00 1.30 C ATOM 121 CG2 VAL A -3 -25.342 -2.633 -1.543 1.00 12.22 C ATOM 0 H VAL A -3 -26.314 -0.676 -5.418 1.00 42.54 H new ATOM 0 HA VAL A -3 -25.636 -0.342 -2.636 1.00 0.43 H new ATOM 0 HB VAL A -3 -26.891 -2.658 -3.009 1.00 20.50 H new ATOM 0 HG11 VAL A -3 -25.339 -4.501 -3.509 1.00 1.30 H new ATOM 0 HG12 VAL A -3 -25.555 -3.410 -4.898 1.00 1.30 H new ATOM 0 HG13 VAL A -3 -24.074 -3.317 -3.915 1.00 1.30 H new ATOM 0 HG21 VAL A -3 -25.521 -3.656 -1.212 1.00 12.22 H new ATOM 0 HG22 VAL A -3 -24.276 -2.415 -1.486 1.00 12.22 H new ATOM 0 HG23 VAL A -3 -25.888 -1.943 -0.900 1.00 12.22 H new ATOM 131 N GLY A -2 -23.119 -0.979 -3.245 1.00 51.43 N ATOM 132 CA GLY A -2 -21.748 -0.876 -3.729 1.00 1.55 C ATOM 133 C GLY A -2 -20.888 -2.073 -3.339 1.00 54.31 C ATOM 134 O GLY A -2 -21.394 -3.193 -3.262 1.00 13.10 O ATOM 0 H GLY A -2 -23.206 -1.102 -2.236 1.00 51.43 H new ATOM 0 HA2 GLY A -2 -21.758 -0.781 -4.815 1.00 1.55 H new ATOM 0 HA3 GLY A -2 -21.296 0.034 -3.333 1.00 1.55 H new ATOM 138 N THR A -1 -19.587 -1.817 -3.092 1.00 4.01 N ATOM 139 CA THR A -1 -18.606 -2.850 -2.704 1.00 63.24 C ATOM 140 C THR A -1 -17.191 -2.473 -3.187 1.00 75.34 C ATOM 141 O THR A -1 -16.896 -2.533 -4.383 1.00 13.20 O ATOM 142 CB THR A -1 -18.982 -4.234 -3.265 1.00 5.43 C ATOM 143 OG1 THR A -1 -18.029 -5.213 -2.889 1.00 71.24 O ATOM 144 CG2 THR A -1 -19.091 -4.261 -4.774 1.00 73.13 C ATOM 0 H THR A -1 -19.186 -0.882 -3.157 1.00 4.01 H new ATOM 0 HA THR A -1 -18.617 -2.903 -1.615 1.00 63.24 H new ATOM 0 HB THR A -1 -19.961 -4.454 -2.839 1.00 5.43 H new ATOM 0 HG1 THR A -1 -18.291 -6.083 -3.256 1.00 71.24 H new ATOM 0 HG21 THR A -1 -19.358 -5.266 -5.102 1.00 73.13 H new ATOM 0 HG22 THR A -1 -19.859 -3.558 -5.096 1.00 73.13 H new ATOM 0 HG23 THR A -1 -18.134 -3.979 -5.213 1.00 73.13 H new ATOM 152 N GLN A 0 -16.324 -2.088 -2.246 1.00 60.44 N ATOM 153 CA GLN A 0 -14.931 -1.707 -2.564 1.00 61.24 C ATOM 154 C GLN A 0 -14.136 -2.900 -3.114 1.00 12.20 C ATOM 155 O GLN A 0 -14.572 -4.049 -3.013 1.00 22.10 O ATOM 156 CB GLN A 0 -14.213 -1.134 -1.331 1.00 71.13 C ATOM 157 CG GLN A 0 -14.581 0.315 -1.027 1.00 5.53 C ATOM 158 CD GLN A 0 -14.648 0.604 0.460 1.00 15.54 C ATOM 159 OE1 GLN A 0 -15.731 0.727 1.034 1.00 60.43 O ATOM 160 NE2 GLN A 0 -13.486 0.714 1.092 1.00 54.33 N ATOM 0 H GLN A 0 -16.556 -2.030 -1.254 1.00 60.44 H new ATOM 0 HA GLN A 0 -14.981 -0.935 -3.332 1.00 61.24 H new ATOM 0 HB2 GLN A 0 -14.451 -1.750 -0.464 1.00 71.13 H new ATOM 0 HB3 GLN A 0 -13.136 -1.202 -1.484 1.00 71.13 H new ATOM 0 HG2 GLN A 0 -13.847 0.976 -1.488 1.00 5.53 H new ATOM 0 HG3 GLN A 0 -15.545 0.543 -1.481 1.00 5.53 H new ATOM 0 HE21 GLN A 0 -12.613 0.605 0.576 1.00 54.33 H new ATOM 0 HE22 GLN A 0 -13.466 0.908 2.093 1.00 54.33 H new ATOM 169 N ALA A 1 -12.968 -2.614 -3.705 1.00 1.21 N ATOM 170 CA ALA A 1 -12.118 -3.659 -4.284 1.00 51.03 C ATOM 171 C ALA A 1 -10.831 -3.875 -3.489 1.00 53.42 C ATOM 172 O ALA A 1 -10.481 -5.011 -3.168 1.00 62.43 O ATOM 173 CB ALA A 1 -11.774 -3.320 -5.732 1.00 43.55 C ATOM 0 H ALA A 1 -12.592 -1.670 -3.794 1.00 1.21 H new ATOM 0 HA ALA A 1 -12.689 -4.587 -4.245 1.00 51.03 H new ATOM 0 HB1 ALA A 1 -11.143 -4.104 -6.149 1.00 43.55 H new ATOM 0 HB2 ALA A 1 -12.691 -3.244 -6.316 1.00 43.55 H new ATOM 0 HB3 ALA A 1 -11.242 -2.369 -5.767 1.00 43.55 H new ATOM 179 N PHE A 2 -10.119 -2.789 -3.200 1.00 12.32 N ATOM 180 CA PHE A 2 -8.849 -2.870 -2.470 1.00 61.12 C ATOM 181 C PHE A 2 -9.032 -3.303 -1.015 1.00 42.03 C ATOM 182 O PHE A 2 -8.127 -3.901 -0.434 1.00 2.02 O ATOM 183 CB PHE A 2 -8.117 -1.526 -2.515 1.00 20.43 C ATOM 184 CG PHE A 2 -7.570 -1.188 -3.872 1.00 25.30 C ATOM 185 CD1 PHE A 2 -6.313 -1.626 -4.254 1.00 43.11 C ATOM 186 CD2 PHE A 2 -8.313 -0.436 -4.767 1.00 54.23 C ATOM 187 CE1 PHE A 2 -5.807 -1.320 -5.504 1.00 23.22 C ATOM 188 CE2 PHE A 2 -7.814 -0.128 -6.017 1.00 4.22 C ATOM 189 CZ PHE A 2 -6.559 -0.570 -6.386 1.00 35.41 C ATOM 0 H PHE A 2 -10.396 -1.842 -3.458 1.00 12.32 H new ATOM 0 HA PHE A 2 -8.253 -3.634 -2.969 1.00 61.12 H new ATOM 0 HB2 PHE A 2 -8.801 -0.738 -2.201 1.00 20.43 H new ATOM 0 HB3 PHE A 2 -7.298 -1.543 -1.796 1.00 20.43 H new ATOM 0 HD1 PHE A 2 -5.721 -2.213 -3.568 1.00 43.11 H new ATOM 0 HD2 PHE A 2 -9.295 -0.086 -4.484 1.00 54.23 H new ATOM 0 HE1 PHE A 2 -4.825 -1.667 -5.790 1.00 23.22 H new ATOM 0 HE2 PHE A 2 -8.405 0.458 -6.705 1.00 4.22 H new ATOM 0 HZ PHE A 2 -6.166 -0.329 -7.363 1.00 35.41 H new ATOM 199 N ASP A 3 -10.193 -2.994 -0.431 1.00 52.44 N ATOM 200 CA ASP A 3 -10.477 -3.344 0.965 1.00 71.12 C ATOM 201 C ASP A 3 -10.603 -4.857 1.150 1.00 12.10 C ATOM 202 O ASP A 3 -11.709 -5.393 1.245 1.00 13.51 O ATOM 203 CB ASP A 3 -11.755 -2.651 1.430 1.00 72.23 C ATOM 204 CG ASP A 3 -11.483 -1.381 2.218 1.00 2.24 C ATOM 205 OD1 ASP A 3 -10.699 -0.534 1.739 1.00 42.25 O ATOM 206 OD2 ASP A 3 -12.058 -1.231 3.316 1.00 51.42 O ATOM 0 H ASP A 3 -10.952 -2.502 -0.903 1.00 52.44 H new ATOM 0 HA ASP A 3 -9.639 -3.002 1.572 1.00 71.12 H new ATOM 0 HB2 ASP A 3 -12.369 -2.410 0.562 1.00 72.23 H new ATOM 0 HB3 ASP A 3 -12.332 -3.339 2.047 1.00 72.23 H new ATOM 211 N SER A 4 -9.462 -5.540 1.193 1.00 65.31 N ATOM 212 CA SER A 4 -9.435 -6.993 1.365 1.00 13.01 C ATOM 213 C SER A 4 -8.210 -7.432 2.172 1.00 4.51 C ATOM 214 O SER A 4 -7.539 -6.613 2.801 1.00 13.23 O ATOM 215 CB SER A 4 -9.441 -7.701 -0.001 1.00 23.22 C ATOM 216 OG SER A 4 -10.221 -7.002 -0.960 1.00 34.23 O ATOM 0 H SER A 4 -8.540 -5.111 1.111 1.00 65.31 H new ATOM 0 HA SER A 4 -10.331 -7.277 1.916 1.00 13.01 H new ATOM 0 HB2 SER A 4 -8.418 -7.795 -0.365 1.00 23.22 H new ATOM 0 HB3 SER A 4 -9.832 -8.712 0.116 1.00 23.22 H new ATOM 0 HG SER A 4 -9.662 -6.772 -1.731 1.00 34.23 H new ATOM 222 N THR A 5 -7.915 -8.730 2.124 1.00 11.40 N ATOM 223 CA THR A 5 -6.763 -9.293 2.817 1.00 54.54 C ATOM 224 C THR A 5 -5.894 -10.058 1.820 1.00 53.03 C ATOM 225 O THR A 5 -6.265 -11.144 1.370 1.00 21.32 O ATOM 226 CB THR A 5 -7.220 -10.215 3.957 1.00 4.00 C ATOM 227 OG1 THR A 5 -7.890 -9.474 4.965 1.00 55.32 O ATOM 228 CG2 THR A 5 -6.084 -10.964 4.624 1.00 64.44 C ATOM 0 H THR A 5 -8.465 -9.415 1.606 1.00 11.40 H new ATOM 0 HA THR A 5 -6.176 -8.485 3.253 1.00 54.54 H new ATOM 0 HB THR A 5 -7.884 -10.940 3.486 1.00 4.00 H new ATOM 0 HG1 THR A 5 -8.175 -10.079 5.681 1.00 55.32 H new ATOM 0 HG21 THR A 5 -6.481 -11.595 5.419 1.00 64.44 H new ATOM 0 HG22 THR A 5 -5.576 -11.586 3.887 1.00 64.44 H new ATOM 0 HG23 THR A 5 -5.376 -10.251 5.047 1.00 64.44 H new ATOM 236 N TRP A 6 -4.745 -9.479 1.464 1.00 12.00 N ATOM 237 CA TRP A 6 -3.834 -10.101 0.509 1.00 43.53 C ATOM 238 C TRP A 6 -2.470 -10.364 1.145 1.00 40.31 C ATOM 239 O TRP A 6 -1.828 -9.451 1.664 1.00 40.14 O ATOM 240 CB TRP A 6 -3.669 -9.238 -0.759 1.00 43.22 C ATOM 241 CG TRP A 6 -4.785 -8.267 -1.019 1.00 0.41 C ATOM 242 CD1 TRP A 6 -5.233 -7.252 -0.218 1.00 72.24 C ATOM 243 CD2 TRP A 6 -5.579 -8.227 -2.192 1.00 1.31 C ATOM 244 NE1 TRP A 6 -6.277 -6.599 -0.832 1.00 3.32 N ATOM 245 CE2 TRP A 6 -6.507 -7.183 -2.050 1.00 51.03 C ATOM 246 CE3 TRP A 6 -5.586 -8.989 -3.346 1.00 31.30 C ATOM 247 CZ2 TRP A 6 -7.443 -6.884 -3.036 1.00 20.11 C ATOM 248 CZ3 TRP A 6 -6.511 -8.701 -4.331 1.00 20.32 C ATOM 249 CH2 TRP A 6 -7.432 -7.654 -4.170 1.00 71.32 C ATOM 0 H TRP A 6 -4.426 -8.580 1.825 1.00 12.00 H new ATOM 0 HA TRP A 6 -4.274 -11.055 0.217 1.00 43.53 H new ATOM 0 HB2 TRP A 6 -2.735 -8.682 -0.682 1.00 43.22 H new ATOM 0 HB3 TRP A 6 -3.576 -9.900 -1.620 1.00 43.22 H new ATOM 0 HD1 TRP A 6 -4.828 -7.001 0.751 1.00 72.24 H new ATOM 0 HE1 TRP A 6 -6.794 -5.810 -0.444 1.00 3.32 H new ATOM 0 HE3 TRP A 6 -4.880 -9.796 -3.475 1.00 31.30 H new ATOM 0 HZ2 TRP A 6 -8.150 -6.077 -2.912 1.00 20.11 H new ATOM 0 HZ3 TRP A 6 -6.526 -9.289 -5.237 1.00 20.32 H new ATOM 0 HH2 TRP A 6 -8.146 -7.451 -4.955 1.00 71.32 H new ATOM 260 N LYS A 7 -2.037 -11.622 1.093 1.00 60.22 N ATOM 261 CA LYS A 7 -0.749 -12.031 1.652 1.00 24.32 C ATOM 262 C LYS A 7 0.300 -12.127 0.555 1.00 55.24 C ATOM 263 O LYS A 7 -0.030 -12.380 -0.607 1.00 63.54 O ATOM 264 CB LYS A 7 -0.899 -13.377 2.376 1.00 64.51 C ATOM 265 CG LYS A 7 -0.932 -14.588 1.452 1.00 73.52 C ATOM 266 CD LYS A 7 -0.071 -15.720 1.991 1.00 63.34 C ATOM 267 CE LYS A 7 0.314 -16.706 0.898 1.00 44.11 C ATOM 268 NZ LYS A 7 1.793 -16.841 0.761 1.00 63.22 N ATOM 0 H LYS A 7 -2.565 -12.383 0.665 1.00 60.22 H new ATOM 0 HA LYS A 7 -0.421 -11.280 2.371 1.00 24.32 H new ATOM 0 HB2 LYS A 7 -0.073 -13.493 3.077 1.00 64.51 H new ATOM 0 HB3 LYS A 7 -1.816 -13.359 2.964 1.00 64.51 H new ATOM 0 HG2 LYS A 7 -1.960 -14.933 1.338 1.00 73.52 H new ATOM 0 HG3 LYS A 7 -0.580 -14.301 0.461 1.00 73.52 H new ATOM 0 HD2 LYS A 7 0.831 -15.307 2.443 1.00 63.34 H new ATOM 0 HD3 LYS A 7 -0.611 -16.244 2.780 1.00 63.34 H new ATOM 0 HE2 LYS A 7 -0.120 -17.681 1.120 1.00 44.11 H new ATOM 0 HE3 LYS A 7 -0.109 -16.378 -0.051 1.00 44.11 H new ATOM 0 HZ1 LYS A 7 2.011 -17.559 0.041 1.00 63.22 H new ATOM 0 HZ2 LYS A 7 2.200 -15.928 0.474 1.00 63.22 H new ATOM 0 HZ3 LYS A 7 2.201 -17.130 1.673 1.00 63.22 H new ATOM 282 N VAL A 8 1.567 -11.926 0.922 1.00 72.24 N ATOM 283 CA VAL A 8 2.646 -12.000 -0.052 1.00 61.43 C ATOM 284 C VAL A 8 2.578 -13.307 -0.817 1.00 22.33 C ATOM 285 O VAL A 8 2.666 -14.392 -0.237 1.00 12.22 O ATOM 286 CB VAL A 8 4.048 -11.898 0.584 1.00 12.31 C ATOM 287 CG1 VAL A 8 5.112 -12.414 -0.380 1.00 15.10 C ATOM 288 CG2 VAL A 8 4.381 -10.480 0.962 1.00 1.21 C ATOM 0 H VAL A 8 1.864 -11.714 1.874 1.00 72.24 H new ATOM 0 HA VAL A 8 2.506 -11.145 -0.714 1.00 61.43 H new ATOM 0 HB VAL A 8 4.037 -12.510 1.486 1.00 12.31 H new ATOM 0 HG11 VAL A 8 6.094 -12.334 0.086 1.00 15.10 H new ATOM 0 HG12 VAL A 8 4.909 -13.457 -0.622 1.00 15.10 H new ATOM 0 HG13 VAL A 8 5.094 -11.820 -1.294 1.00 15.10 H new ATOM 0 HG21 VAL A 8 5.375 -10.446 1.407 1.00 1.21 H new ATOM 0 HG22 VAL A 8 4.360 -9.852 0.072 1.00 1.21 H new ATOM 0 HG23 VAL A 8 3.649 -10.114 1.682 1.00 1.21 H new ATOM 298 N ASP A 9 2.438 -13.191 -2.117 1.00 13.03 N ATOM 299 CA ASP A 9 2.382 -14.352 -2.975 1.00 45.52 C ATOM 300 C ASP A 9 3.593 -14.387 -3.900 1.00 52.21 C ATOM 301 O ASP A 9 3.916 -15.433 -4.465 1.00 1.15 O ATOM 302 CB ASP A 9 1.084 -14.342 -3.766 1.00 72.11 C ATOM 303 CG ASP A 9 0.204 -15.522 -3.412 1.00 25.33 C ATOM 304 OD1 ASP A 9 -0.398 -15.506 -2.317 1.00 3.20 O ATOM 305 OD2 ASP A 9 0.127 -16.469 -4.220 1.00 43.25 O ATOM 0 H ASP A 9 2.360 -12.299 -2.606 1.00 13.03 H new ATOM 0 HA ASP A 9 2.406 -15.254 -2.364 1.00 45.52 H new ATOM 0 HB2 ASP A 9 0.546 -13.415 -3.570 1.00 72.11 H new ATOM 0 HB3 ASP A 9 1.308 -14.362 -4.833 1.00 72.11 H new ATOM 310 N ARG A 10 4.270 -13.237 -4.044 1.00 71.31 N ATOM 311 CA ARG A 10 5.447 -13.149 -4.895 1.00 41.02 C ATOM 312 C ARG A 10 6.022 -11.735 -4.929 1.00 34.12 C ATOM 313 O ARG A 10 5.480 -10.811 -4.317 1.00 0.20 O ATOM 314 CB ARG A 10 5.097 -13.594 -6.317 1.00 41.02 C ATOM 315 CG ARG A 10 3.801 -12.981 -6.834 1.00 34.10 C ATOM 316 CD ARG A 10 2.867 -14.041 -7.397 1.00 23.53 C ATOM 317 NE ARG A 10 3.185 -14.362 -8.788 1.00 62.43 N ATOM 318 CZ ARG A 10 2.574 -13.820 -9.847 1.00 74.41 C ATOM 319 NH1 ARG A 10 1.586 -12.941 -9.686 1.00 40.23 N ATOM 320 NH2 ARG A 10 2.954 -14.166 -11.073 1.00 71.31 N ATOM 0 H ARG A 10 4.017 -12.364 -3.581 1.00 71.31 H new ATOM 0 HA ARG A 10 6.206 -13.809 -4.474 1.00 41.02 H new ATOM 0 HB2 ARG A 10 5.913 -13.323 -6.987 1.00 41.02 H new ATOM 0 HB3 ARG A 10 5.013 -14.680 -6.341 1.00 41.02 H new ATOM 0 HG2 ARG A 10 3.302 -12.448 -6.025 1.00 34.10 H new ATOM 0 HG3 ARG A 10 4.028 -12.247 -7.607 1.00 34.10 H new ATOM 0 HD2 ARG A 10 2.935 -14.944 -6.791 1.00 23.53 H new ATOM 0 HD3 ARG A 10 1.837 -13.690 -7.331 1.00 23.53 H new ATOM 0 HE ARG A 10 3.922 -15.045 -8.962 1.00 62.43 H new ATOM 0 HH11 ARG A 10 1.288 -12.675 -8.747 1.00 40.23 H new ATOM 0 HH12 ARG A 10 1.127 -12.534 -10.501 1.00 40.23 H new ATOM 0 HH21 ARG A 10 3.708 -14.841 -11.202 1.00 71.31 H new ATOM 0 HH22 ARG A 10 2.492 -13.756 -11.885 1.00 71.31 H new ATOM 334 N SER A 11 7.127 -11.584 -5.657 1.00 53.11 N ATOM 335 CA SER A 11 7.795 -10.297 -5.797 1.00 4.00 C ATOM 336 C SER A 11 8.577 -10.240 -7.105 1.00 54.52 C ATOM 337 O SER A 11 8.758 -11.258 -7.776 1.00 54.02 O ATOM 338 CB SER A 11 8.746 -10.049 -4.619 1.00 44.14 C ATOM 339 OG SER A 11 8.870 -8.666 -4.327 1.00 42.23 O ATOM 0 H SER A 11 7.580 -12.346 -6.162 1.00 53.11 H new ATOM 0 HA SER A 11 7.030 -9.520 -5.804 1.00 4.00 H new ATOM 0 HB2 SER A 11 8.379 -10.575 -3.738 1.00 44.14 H new ATOM 0 HB3 SER A 11 9.728 -10.461 -4.851 1.00 44.14 H new ATOM 0 HG SER A 11 8.402 -8.144 -5.012 1.00 42.23 H new ATOM 345 N GLU A 12 9.047 -9.047 -7.455 1.00 12.23 N ATOM 346 CA GLU A 12 9.819 -8.855 -8.675 1.00 60.12 C ATOM 347 C GLU A 12 10.913 -7.815 -8.456 1.00 60.42 C ATOM 348 O GLU A 12 10.618 -6.654 -8.169 1.00 61.43 O ATOM 349 CB GLU A 12 8.907 -8.412 -9.823 1.00 64.25 C ATOM 350 CG GLU A 12 8.030 -9.523 -10.381 1.00 53.14 C ATOM 351 CD GLU A 12 6.948 -9.002 -11.310 1.00 60.25 C ATOM 352 OE1 GLU A 12 6.008 -8.345 -10.815 1.00 0.03 O ATOM 353 OE2 GLU A 12 7.044 -9.242 -12.532 1.00 22.13 O ATOM 0 H GLU A 12 8.906 -8.197 -6.909 1.00 12.23 H new ATOM 0 HA GLU A 12 10.282 -9.806 -8.938 1.00 60.12 H new ATOM 0 HB2 GLU A 12 8.269 -7.600 -9.474 1.00 64.25 H new ATOM 0 HB3 GLU A 12 9.522 -8.010 -10.628 1.00 64.25 H new ATOM 0 HG2 GLU A 12 8.653 -10.237 -10.920 1.00 53.14 H new ATOM 0 HG3 GLU A 12 7.566 -10.064 -9.556 1.00 53.14 H new ATOM 360 N ASN A 13 12.171 -8.239 -8.609 1.00 31.20 N ATOM 361 CA ASN A 13 13.325 -7.348 -8.451 1.00 42.23 C ATOM 362 C ASN A 13 13.658 -7.045 -6.977 1.00 61.22 C ATOM 363 O ASN A 13 14.444 -6.141 -6.693 1.00 22.31 O ATOM 364 CB ASN A 13 13.079 -6.038 -9.209 1.00 75.24 C ATOM 365 CG ASN A 13 14.355 -5.267 -9.459 1.00 53.02 C ATOM 366 OD1 ASN A 13 14.695 -4.386 -8.531 1.00 53.23 O flip ATOM 367 ND2 ASN A 13 15.027 -5.464 -10.472 1.00 4.24 N flip ATOM 0 H ASN A 13 12.417 -9.201 -8.844 1.00 31.20 H new ATOM 0 HA ASN A 13 14.186 -7.870 -8.868 1.00 42.23 H new ATOM 0 HB2 ASN A 13 12.598 -6.258 -10.162 1.00 75.24 H new ATOM 0 HB3 ASN A 13 12.388 -5.416 -8.640 1.00 75.24 H new ATOM 0 HD21 ASN A 13 14.724 -6.154 -11.159 1.00 4.24 H new ATOM 0 HD22 ASN A 13 15.887 -4.937 -10.624 1.00 4.24 H new ATOM 374 N TYR A 14 13.078 -7.793 -6.039 1.00 43.02 N ATOM 375 CA TYR A 14 13.348 -7.566 -4.615 1.00 4.22 C ATOM 376 C TYR A 14 14.844 -7.622 -4.310 1.00 1.00 C ATOM 377 O TYR A 14 15.353 -6.843 -3.500 1.00 20.22 O ATOM 378 CB TYR A 14 12.629 -8.618 -3.765 1.00 75.13 C ATOM 379 CG TYR A 14 12.289 -8.167 -2.359 1.00 40.31 C ATOM 380 CD1 TYR A 14 11.516 -7.035 -2.131 1.00 44.41 C ATOM 381 CD2 TYR A 14 12.742 -8.883 -1.257 1.00 32.44 C ATOM 382 CE1 TYR A 14 11.206 -6.630 -0.845 1.00 63.31 C ATOM 383 CE2 TYR A 14 12.436 -8.486 0.030 1.00 42.42 C ATOM 384 CZ TYR A 14 11.668 -7.358 0.231 1.00 34.41 C ATOM 385 OH TYR A 14 11.361 -6.958 1.511 1.00 23.24 O ATOM 0 H TYR A 14 12.426 -8.553 -6.233 1.00 43.02 H new ATOM 0 HA TYR A 14 12.979 -6.570 -4.370 1.00 4.22 H new ATOM 0 HB2 TYR A 14 11.709 -8.909 -4.272 1.00 75.13 H new ATOM 0 HB3 TYR A 14 13.255 -9.508 -3.706 1.00 75.13 H new ATOM 0 HD1 TYR A 14 11.151 -6.462 -2.971 1.00 44.41 H new ATOM 0 HD2 TYR A 14 13.344 -9.766 -1.410 1.00 32.44 H new ATOM 0 HE1 TYR A 14 10.605 -5.747 -0.685 1.00 63.31 H new ATOM 0 HE2 TYR A 14 12.796 -9.055 0.874 1.00 42.42 H new ATOM 0 HH TYR A 14 11.518 -7.700 2.132 1.00 23.24 H new ATOM 395 N ASP A 15 15.530 -8.566 -4.949 1.00 23.35 N ATOM 396 CA ASP A 15 16.960 -8.762 -4.746 1.00 72.42 C ATOM 397 C ASP A 15 17.748 -7.455 -4.866 1.00 14.04 C ATOM 398 O ASP A 15 18.561 -7.134 -3.999 1.00 21.24 O ATOM 399 CB ASP A 15 17.500 -9.790 -5.746 1.00 2.15 C ATOM 400 CG ASP A 15 17.313 -9.362 -7.193 1.00 40.42 C ATOM 401 OD1 ASP A 15 16.158 -9.367 -7.670 1.00 21.43 O ATOM 402 OD2 ASP A 15 18.320 -9.020 -7.849 1.00 0.44 O ATOM 0 H ASP A 15 15.112 -9.213 -5.618 1.00 23.35 H new ATOM 0 HA ASP A 15 17.093 -9.133 -3.730 1.00 72.42 H new ATOM 0 HB2 ASP A 15 18.561 -9.953 -5.555 1.00 2.15 H new ATOM 0 HB3 ASP A 15 16.997 -10.744 -5.586 1.00 2.15 H new ATOM 407 N LYS A 16 17.513 -6.714 -5.946 1.00 23.40 N ATOM 408 CA LYS A 16 18.214 -5.454 -6.179 1.00 32.21 C ATOM 409 C LYS A 16 17.923 -4.435 -5.079 1.00 43.24 C ATOM 410 O LYS A 16 18.827 -3.734 -4.630 1.00 11.02 O ATOM 411 CB LYS A 16 17.825 -4.874 -7.539 1.00 74.53 C ATOM 412 CG LYS A 16 18.735 -3.749 -8.007 1.00 53.44 C ATOM 413 CD LYS A 16 18.602 -3.509 -9.504 1.00 13.01 C ATOM 414 CE LYS A 16 19.545 -4.397 -10.303 1.00 5.42 C ATOM 415 NZ LYS A 16 20.943 -4.349 -9.784 1.00 13.00 N ATOM 0 H LYS A 16 16.843 -6.964 -6.673 1.00 23.40 H new ATOM 0 HA LYS A 16 19.283 -5.666 -6.168 1.00 32.21 H new ATOM 0 HB2 LYS A 16 17.837 -5.672 -8.281 1.00 74.53 H new ATOM 0 HB3 LYS A 16 16.801 -4.503 -7.487 1.00 74.53 H new ATOM 0 HG2 LYS A 16 18.490 -2.834 -7.468 1.00 53.44 H new ATOM 0 HG3 LYS A 16 19.770 -3.993 -7.767 1.00 53.44 H new ATOM 0 HD2 LYS A 16 17.574 -3.699 -9.813 1.00 13.01 H new ATOM 0 HD3 LYS A 16 18.813 -2.463 -9.725 1.00 13.01 H new ATOM 0 HE2 LYS A 16 19.184 -5.425 -10.274 1.00 5.42 H new ATOM 0 HE3 LYS A 16 19.537 -4.085 -11.347 1.00 5.42 H new ATOM 0 HZ1 LYS A 16 21.609 -4.526 -10.563 1.00 13.00 H new ATOM 0 HZ2 LYS A 16 21.130 -3.411 -9.376 1.00 13.00 H new ATOM 0 HZ3 LYS A 16 21.066 -5.076 -9.051 1.00 13.00 H new ATOM 429 N PHE A 17 16.663 -4.352 -4.652 1.00 21.32 N ATOM 430 CA PHE A 17 16.270 -3.406 -3.607 1.00 53.14 C ATOM 431 C PHE A 17 17.047 -3.656 -2.311 1.00 54.05 C ATOM 432 O PHE A 17 17.615 -2.726 -1.736 1.00 22.43 O ATOM 433 CB PHE A 17 14.761 -3.493 -3.346 1.00 53.54 C ATOM 434 CG PHE A 17 14.243 -2.450 -2.388 1.00 63.54 C ATOM 435 CD1 PHE A 17 14.243 -2.687 -1.023 1.00 2.03 C ATOM 436 CD2 PHE A 17 13.751 -1.238 -2.852 1.00 14.05 C ATOM 437 CE1 PHE A 17 13.763 -1.738 -0.140 1.00 31.31 C ATOM 438 CE2 PHE A 17 13.271 -0.287 -1.974 1.00 5.21 C ATOM 439 CZ PHE A 17 13.276 -0.537 -0.616 1.00 2.31 C ATOM 0 H PHE A 17 15.900 -4.925 -5.011 1.00 21.32 H new ATOM 0 HA PHE A 17 16.511 -2.402 -3.957 1.00 53.14 H new ATOM 0 HB2 PHE A 17 14.232 -3.395 -4.294 1.00 53.54 H new ATOM 0 HB3 PHE A 17 14.527 -4.482 -2.952 1.00 53.54 H new ATOM 0 HD1 PHE A 17 14.623 -3.624 -0.644 1.00 2.03 H new ATOM 0 HD2 PHE A 17 13.744 -1.036 -3.913 1.00 14.05 H new ATOM 0 HE1 PHE A 17 13.769 -1.936 0.922 1.00 31.31 H new ATOM 0 HE2 PHE A 17 12.892 0.652 -2.349 1.00 5.21 H new ATOM 0 HZ PHE A 17 12.900 0.205 0.072 1.00 2.31 H new ATOM 449 N MET A 18 17.069 -4.912 -1.856 1.00 12.41 N ATOM 450 CA MET A 18 17.777 -5.268 -0.624 1.00 32.52 C ATOM 451 C MET A 18 19.291 -5.159 -0.797 1.00 1.44 C ATOM 452 O MET A 18 19.989 -4.669 0.094 1.00 55.44 O ATOM 453 CB MET A 18 17.404 -6.682 -0.162 1.00 14.21 C ATOM 454 CG MET A 18 17.590 -7.753 -1.224 1.00 20.12 C ATOM 455 SD MET A 18 17.659 -9.414 -0.530 1.00 35.30 S ATOM 456 CE MET A 18 15.989 -9.980 -0.836 1.00 2.42 C ATOM 0 H MET A 18 16.608 -5.695 -2.319 1.00 12.41 H new ATOM 0 HA MET A 18 17.467 -4.556 0.141 1.00 32.52 H new ATOM 0 HB2 MET A 18 18.009 -6.939 0.708 1.00 14.21 H new ATOM 0 HB3 MET A 18 16.363 -6.684 0.162 1.00 14.21 H new ATOM 0 HG2 MET A 18 16.770 -7.696 -1.939 1.00 20.12 H new ATOM 0 HG3 MET A 18 18.509 -7.556 -1.776 1.00 20.12 H new ATOM 0 HE1 MET A 18 15.947 -11.064 -0.730 1.00 2.42 H new ATOM 0 HE2 MET A 18 15.311 -9.518 -0.118 1.00 2.42 H new ATOM 0 HE3 MET A 18 15.690 -9.703 -1.847 1.00 2.42 H new ATOM 466 N GLU A 19 19.794 -5.620 -1.942 1.00 33.14 N ATOM 467 CA GLU A 19 21.226 -5.574 -2.219 1.00 12.13 C ATOM 468 C GLU A 19 21.713 -4.131 -2.386 1.00 73.11 C ATOM 469 O GLU A 19 22.825 -3.798 -1.973 1.00 14.15 O ATOM 470 CB GLU A 19 21.561 -6.391 -3.472 1.00 43.55 C ATOM 471 CG GLU A 19 21.338 -7.889 -3.306 1.00 64.34 C ATOM 472 CD GLU A 19 22.630 -8.656 -3.091 1.00 11.02 C ATOM 473 OE1 GLU A 19 23.283 -9.014 -4.095 1.00 3.41 O ATOM 474 OE2 GLU A 19 22.983 -8.908 -1.918 1.00 42.41 O ATOM 0 H GLU A 19 19.232 -6.028 -2.689 1.00 33.14 H new ATOM 0 HA GLU A 19 21.742 -6.012 -1.365 1.00 12.13 H new ATOM 0 HB2 GLU A 19 20.952 -6.032 -4.302 1.00 43.55 H new ATOM 0 HB3 GLU A 19 22.603 -6.216 -3.741 1.00 43.55 H new ATOM 0 HG2 GLU A 19 20.674 -8.061 -2.459 1.00 64.34 H new ATOM 0 HG3 GLU A 19 20.834 -8.277 -4.191 1.00 64.34 H new ATOM 481 N LYS A 20 20.877 -3.276 -2.989 1.00 34.31 N ATOM 482 CA LYS A 20 21.229 -1.871 -3.204 1.00 75.12 C ATOM 483 C LYS A 20 21.487 -1.155 -1.884 1.00 52.41 C ATOM 484 O LYS A 20 22.528 -0.518 -1.712 1.00 0.31 O ATOM 485 CB LYS A 20 20.127 -1.146 -3.968 1.00 1.30 C ATOM 486 CG LYS A 20 20.633 0.088 -4.687 1.00 71.41 C ATOM 487 CD LYS A 20 20.296 0.048 -6.166 1.00 42.03 C ATOM 488 CE LYS A 20 19.873 1.414 -6.687 1.00 31.24 C ATOM 489 NZ LYS A 20 20.496 1.731 -8.004 1.00 51.13 N ATOM 0 H LYS A 20 19.953 -3.535 -3.336 1.00 34.31 H new ATOM 0 HA LYS A 20 22.145 -1.855 -3.795 1.00 75.12 H new ATOM 0 HB2 LYS A 20 19.683 -1.828 -4.693 1.00 1.30 H new ATOM 0 HB3 LYS A 20 19.337 -0.860 -3.274 1.00 1.30 H new ATOM 0 HG2 LYS A 20 20.194 0.978 -4.237 1.00 71.41 H new ATOM 0 HG3 LYS A 20 21.713 0.167 -4.561 1.00 71.41 H new ATOM 0 HD2 LYS A 20 21.163 -0.302 -6.727 1.00 42.03 H new ATOM 0 HD3 LYS A 20 19.494 -0.670 -6.337 1.00 42.03 H new ATOM 0 HE2 LYS A 20 18.788 1.444 -6.784 1.00 31.24 H new ATOM 0 HE3 LYS A 20 20.150 2.179 -5.962 1.00 31.24 H new ATOM 0 HZ1 LYS A 20 19.957 2.489 -8.470 1.00 51.13 H new ATOM 0 HZ2 LYS A 20 21.477 2.043 -7.858 1.00 51.13 H new ATOM 0 HZ3 LYS A 20 20.489 0.882 -8.605 1.00 51.13 H new ATOM 503 N MET A 21 20.534 -1.263 -0.957 1.00 1.05 N ATOM 504 CA MET A 21 20.656 -0.624 0.354 1.00 41.22 C ATOM 505 C MET A 21 21.931 -1.068 1.070 1.00 13.10 C ATOM 506 O MET A 21 22.526 -0.299 1.825 1.00 1.00 O ATOM 507 CB MET A 21 19.444 -0.957 1.227 1.00 53.53 C ATOM 508 CG MET A 21 18.139 -0.360 0.727 1.00 51.42 C ATOM 509 SD MET A 21 16.741 -1.478 0.937 1.00 13.44 S ATOM 510 CE MET A 21 16.684 -1.625 2.720 1.00 34.41 C ATOM 0 H MET A 21 19.669 -1.787 -1.090 1.00 1.05 H new ATOM 0 HA MET A 21 20.703 0.453 0.191 1.00 41.22 H new ATOM 0 HB2 MET A 21 19.337 -2.040 1.285 1.00 53.53 H new ATOM 0 HB3 MET A 21 19.630 -0.601 2.240 1.00 53.53 H new ATOM 0 HG2 MET A 21 17.940 0.569 1.261 1.00 51.42 H new ATOM 0 HG3 MET A 21 18.241 -0.105 -0.328 1.00 51.42 H new ATOM 0 HE1 MET A 21 15.805 -2.200 3.010 1.00 34.41 H new ATOM 0 HE2 MET A 21 17.582 -2.133 3.072 1.00 34.41 H new ATOM 0 HE3 MET A 21 16.631 -0.632 3.165 1.00 34.41 H new ATOM 520 N GLY A 22 22.334 -2.317 0.831 1.00 11.42 N ATOM 521 CA GLY A 22 23.528 -2.866 1.463 1.00 24.52 C ATOM 522 C GLY A 22 23.192 -3.767 2.640 1.00 42.12 C ATOM 523 O GLY A 22 23.935 -3.820 3.624 1.00 14.01 O ATOM 0 H GLY A 22 21.851 -2.963 0.206 1.00 11.42 H new ATOM 0 HA2 GLY A 22 24.100 -3.431 0.727 1.00 24.52 H new ATOM 0 HA3 GLY A 22 24.165 -2.050 1.803 1.00 24.52 H new ATOM 527 N VAL A 23 22.059 -4.465 2.537 1.00 74.24 N ATOM 528 CA VAL A 23 21.589 -5.363 3.588 1.00 22.24 C ATOM 529 C VAL A 23 22.541 -6.541 3.806 1.00 4.44 C ATOM 530 O VAL A 23 23.112 -7.083 2.857 1.00 54.54 O ATOM 531 CB VAL A 23 20.176 -5.900 3.259 1.00 62.42 C ATOM 532 CG1 VAL A 23 19.676 -6.828 4.354 1.00 63.14 C ATOM 533 CG2 VAL A 23 19.199 -4.750 3.046 1.00 52.34 C ATOM 0 H VAL A 23 21.445 -4.422 1.724 1.00 74.24 H new ATOM 0 HA VAL A 23 21.553 -4.779 4.508 1.00 22.24 H new ATOM 0 HB VAL A 23 20.242 -6.473 2.334 1.00 62.42 H new ATOM 0 HG11 VAL A 23 18.681 -7.191 4.097 1.00 63.14 H new ATOM 0 HG12 VAL A 23 20.356 -7.674 4.453 1.00 63.14 H new ATOM 0 HG13 VAL A 23 19.632 -6.286 5.298 1.00 63.14 H new ATOM 0 HG21 VAL A 23 18.211 -5.150 2.816 1.00 52.34 H new ATOM 0 HG22 VAL A 23 19.144 -4.147 3.952 1.00 52.34 H new ATOM 0 HG23 VAL A 23 19.542 -4.130 2.218 1.00 52.34 H new ATOM 543 N ASN A 24 22.689 -6.935 5.072 1.00 11.41 N ATOM 544 CA ASN A 24 23.547 -8.050 5.449 1.00 23.14 C ATOM 545 C ASN A 24 22.899 -9.382 5.076 1.00 0.10 C ATOM 546 O ASN A 24 21.674 -9.506 5.081 1.00 72.22 O ATOM 547 CB ASN A 24 23.819 -7.996 6.950 1.00 54.24 C ATOM 548 CG ASN A 24 24.655 -9.157 7.426 1.00 14.23 C ATOM 549 OD1 ASN A 24 24.106 -9.936 8.338 1.00 55.42 O flip ATOM 550 ND2 ASN A 24 25.783 -9.356 6.975 1.00 33.20 N flip ATOM 0 H ASN A 24 22.218 -6.489 5.859 1.00 11.41 H new ATOM 0 HA ASN A 24 24.489 -7.970 4.907 1.00 23.14 H new ATOM 0 HB2 ASN A 24 24.328 -7.063 7.191 1.00 54.24 H new ATOM 0 HB3 ASN A 24 22.871 -7.990 7.488 1.00 54.24 H new ATOM 0 HD21 ASN A 24 26.169 -8.728 6.270 1.00 33.20 H new ATOM 0 HD22 ASN A 24 26.332 -10.149 7.306 1.00 33.20 H new ATOM 557 N ILE A 25 23.734 -10.370 4.755 1.00 54.42 N ATOM 558 CA ILE A 25 23.264 -11.705 4.373 1.00 72.22 C ATOM 559 C ILE A 25 22.141 -12.207 5.288 1.00 12.24 C ATOM 560 O ILE A 25 21.160 -12.785 4.814 1.00 42.11 O ATOM 561 CB ILE A 25 24.431 -12.721 4.377 1.00 13.12 C ATOM 562 CG1 ILE A 25 23.974 -14.082 3.829 1.00 61.22 C ATOM 563 CG2 ILE A 25 25.027 -12.858 5.774 1.00 44.35 C ATOM 564 CD1 ILE A 25 23.538 -15.070 4.894 1.00 52.24 C ATOM 0 H ILE A 25 24.749 -10.271 4.752 1.00 54.42 H new ATOM 0 HA ILE A 25 22.862 -11.619 3.363 1.00 72.22 H new ATOM 0 HB ILE A 25 25.213 -12.344 3.718 1.00 13.12 H new ATOM 0 HG12 ILE A 25 23.147 -13.923 3.137 1.00 61.22 H new ATOM 0 HG13 ILE A 25 24.789 -14.521 3.255 1.00 61.22 H new ATOM 0 HG21 ILE A 25 25.845 -13.578 5.751 1.00 44.35 H new ATOM 0 HG22 ILE A 25 25.404 -11.890 6.105 1.00 44.35 H new ATOM 0 HG23 ILE A 25 24.258 -13.204 6.465 1.00 44.35 H new ATOM 0 HD11 ILE A 25 23.232 -16.003 4.421 1.00 52.24 H new ATOM 0 HD12 ILE A 25 24.368 -15.263 5.573 1.00 52.24 H new ATOM 0 HD13 ILE A 25 22.700 -14.655 5.454 1.00 52.24 H new ATOM 576 N VAL A 26 22.289 -11.984 6.593 1.00 2.11 N ATOM 577 CA VAL A 26 21.285 -12.420 7.569 1.00 13.11 C ATOM 578 C VAL A 26 20.032 -11.540 7.519 1.00 2.32 C ATOM 579 O VAL A 26 18.910 -12.035 7.656 1.00 72.11 O ATOM 580 CB VAL A 26 21.845 -12.424 9.010 1.00 65.13 C ATOM 581 CG1 VAL A 26 20.877 -13.116 9.957 1.00 20.43 C ATOM 582 CG2 VAL A 26 23.210 -13.099 9.060 1.00 61.24 C ATOM 0 H VAL A 26 23.092 -11.505 7.001 1.00 2.11 H new ATOM 0 HA VAL A 26 21.016 -13.440 7.294 1.00 13.11 H new ATOM 0 HB VAL A 26 21.964 -11.389 9.330 1.00 65.13 H new ATOM 0 HG11 VAL A 26 21.288 -13.109 10.966 1.00 20.43 H new ATOM 0 HG12 VAL A 26 19.923 -12.590 9.950 1.00 20.43 H new ATOM 0 HG13 VAL A 26 20.726 -14.146 9.634 1.00 20.43 H new ATOM 0 HG21 VAL A 26 23.583 -13.089 10.084 1.00 61.24 H new ATOM 0 HG22 VAL A 26 23.119 -14.129 8.716 1.00 61.24 H new ATOM 0 HG23 VAL A 26 23.905 -12.562 8.415 1.00 61.24 H new ATOM 592 N LYS A 27 20.229 -10.238 7.309 1.00 23.21 N ATOM 593 CA LYS A 27 19.120 -9.293 7.228 1.00 0.55 C ATOM 594 C LYS A 27 18.254 -9.582 6.001 1.00 35.41 C ATOM 595 O LYS A 27 17.035 -9.406 6.039 1.00 2.44 O ATOM 596 CB LYS A 27 19.647 -7.856 7.178 1.00 75.22 C ATOM 597 CG LYS A 27 20.160 -7.340 8.514 1.00 2.03 C ATOM 598 CD LYS A 27 19.107 -7.458 9.607 1.00 3.04 C ATOM 599 CE LYS A 27 19.337 -6.443 10.716 1.00 63.21 C ATOM 600 NZ LYS A 27 18.688 -5.134 10.420 1.00 32.42 N ATOM 0 H LYS A 27 21.150 -9.815 7.192 1.00 23.21 H new ATOM 0 HA LYS A 27 18.504 -9.410 8.120 1.00 0.55 H new ATOM 0 HB2 LYS A 27 20.452 -7.800 6.445 1.00 75.22 H new ATOM 0 HB3 LYS A 27 18.851 -7.199 6.828 1.00 75.22 H new ATOM 0 HG2 LYS A 27 21.049 -7.901 8.803 1.00 2.03 H new ATOM 0 HG3 LYS A 27 20.461 -6.298 8.410 1.00 2.03 H new ATOM 0 HD2 LYS A 27 18.117 -7.310 9.177 1.00 3.04 H new ATOM 0 HD3 LYS A 27 19.126 -8.465 10.024 1.00 3.04 H new ATOM 0 HE2 LYS A 27 18.947 -6.837 11.654 1.00 63.21 H new ATOM 0 HE3 LYS A 27 20.408 -6.294 10.854 1.00 63.21 H new ATOM 0 HZ1 LYS A 27 19.317 -4.360 10.714 1.00 32.42 H new ATOM 0 HZ2 LYS A 27 18.504 -5.061 9.399 1.00 32.42 H new ATOM 0 HZ3 LYS A 27 17.790 -5.066 10.940 1.00 32.42 H new ATOM 614 N ARG A 28 18.889 -10.045 4.920 1.00 35.42 N ATOM 615 CA ARG A 28 18.167 -10.378 3.696 1.00 73.41 C ATOM 616 C ARG A 28 17.397 -11.695 3.867 1.00 21.31 C ATOM 617 O ARG A 28 16.421 -11.947 3.159 1.00 20.24 O ATOM 618 CB ARG A 28 19.127 -10.482 2.498 1.00 14.03 C ATOM 619 CG ARG A 28 20.050 -9.276 2.327 1.00 43.03 C ATOM 620 CD ARG A 28 20.738 -9.264 0.967 1.00 43.33 C ATOM 621 NE ARG A 28 21.158 -10.599 0.537 1.00 51.53 N ATOM 622 CZ ARG A 28 22.397 -11.084 0.677 1.00 40.33 C ATOM 623 NH1 ARG A 28 23.348 -10.362 1.266 1.00 72.33 N ATOM 624 NH2 ARG A 28 22.681 -12.304 0.232 1.00 53.35 N ATOM 0 H ARG A 28 19.897 -10.196 4.871 1.00 35.42 H new ATOM 0 HA ARG A 28 17.457 -9.575 3.499 1.00 73.41 H new ATOM 0 HB2 ARG A 28 19.737 -11.378 2.612 1.00 14.03 H new ATOM 0 HB3 ARG A 28 18.541 -10.609 1.588 1.00 14.03 H new ATOM 0 HG2 ARG A 28 19.473 -8.359 2.448 1.00 43.03 H new ATOM 0 HG3 ARG A 28 20.805 -9.284 3.114 1.00 43.03 H new ATOM 0 HD2 ARG A 28 20.060 -8.844 0.224 1.00 43.33 H new ATOM 0 HD3 ARG A 28 21.609 -8.609 1.010 1.00 43.33 H new ATOM 0 HE ARG A 28 20.459 -11.200 0.101 1.00 51.53 H new ATOM 0 HH11 ARG A 28 23.136 -9.428 1.617 1.00 72.33 H new ATOM 0 HH12 ARG A 28 24.289 -10.743 1.367 1.00 72.33 H new ATOM 0 HH21 ARG A 28 21.956 -12.866 -0.214 1.00 53.35 H new ATOM 0 HH22 ARG A 28 23.624 -12.678 0.336 1.00 53.35 H new ATOM 638 N LYS A 29 17.848 -12.532 4.812 1.00 42.34 N ATOM 639 CA LYS A 29 17.216 -13.823 5.080 1.00 71.22 C ATOM 640 C LYS A 29 15.787 -13.669 5.599 1.00 43.34 C ATOM 641 O LYS A 29 14.868 -14.273 5.049 1.00 45.01 O ATOM 642 CB LYS A 29 18.045 -14.633 6.083 1.00 55.42 C ATOM 643 CG LYS A 29 19.382 -15.109 5.533 1.00 13.50 C ATOM 644 CD LYS A 29 19.679 -16.547 5.936 1.00 64.11 C ATOM 645 CE LYS A 29 20.106 -17.385 4.739 1.00 44.41 C ATOM 646 NZ LYS A 29 20.970 -18.534 5.135 1.00 25.21 N ATOM 0 H LYS A 29 18.654 -12.332 5.405 1.00 42.34 H new ATOM 0 HA LYS A 29 17.172 -14.356 4.130 1.00 71.22 H new ATOM 0 HB2 LYS A 29 18.224 -14.023 6.969 1.00 55.42 H new ATOM 0 HB3 LYS A 29 17.466 -15.499 6.404 1.00 55.42 H new ATOM 0 HG2 LYS A 29 19.377 -15.030 4.446 1.00 13.50 H new ATOM 0 HG3 LYS A 29 20.177 -14.458 5.896 1.00 13.50 H new ATOM 0 HD2 LYS A 29 20.466 -16.560 6.690 1.00 64.11 H new ATOM 0 HD3 LYS A 29 18.793 -16.988 6.393 1.00 64.11 H new ATOM 0 HE2 LYS A 29 19.220 -17.759 4.225 1.00 44.41 H new ATOM 0 HE3 LYS A 29 20.644 -16.755 4.030 1.00 44.41 H new ATOM 0 HZ1 LYS A 29 21.236 -19.076 4.288 1.00 25.21 H new ATOM 0 HZ2 LYS A 29 21.828 -18.178 5.602 1.00 25.21 H new ATOM 0 HZ3 LYS A 29 20.449 -19.150 5.791 1.00 25.21 H new ATOM 660 N LEU A 30 15.585 -12.883 6.663 1.00 0.04 N ATOM 661 CA LEU A 30 14.233 -12.719 7.207 1.00 2.32 C ATOM 662 C LEU A 30 13.411 -11.687 6.441 1.00 0.13 C ATOM 663 O LEU A 30 12.189 -11.821 6.336 1.00 63.51 O ATOM 664 CB LEU A 30 14.227 -12.374 8.684 1.00 20.41 C ATOM 665 CG LEU A 30 15.364 -11.514 9.204 1.00 54.54 C ATOM 666 CD1 LEU A 30 15.346 -10.154 8.537 1.00 34.44 C ATOM 667 CD2 LEU A 30 15.218 -11.378 10.699 1.00 24.21 C ATOM 0 H LEU A 30 16.316 -12.365 7.152 1.00 0.04 H new ATOM 0 HA LEU A 30 13.765 -13.696 7.083 1.00 2.32 H new ATOM 0 HB2 LEU A 30 13.290 -11.864 8.907 1.00 20.41 H new ATOM 0 HB3 LEU A 30 14.225 -13.307 9.248 1.00 20.41 H new ATOM 0 HG LEU A 30 16.320 -11.983 8.972 1.00 54.54 H new ATOM 0 HD11 LEU A 30 16.168 -9.550 8.921 1.00 34.44 H new ATOM 0 HD12 LEU A 30 15.458 -10.276 7.460 1.00 34.44 H new ATOM 0 HD13 LEU A 30 14.400 -9.657 8.750 1.00 34.44 H new ATOM 0 HD21 LEU A 30 16.028 -10.762 11.089 1.00 24.21 H new ATOM 0 HD22 LEU A 30 14.262 -10.909 10.930 1.00 24.21 H new ATOM 0 HD23 LEU A 30 15.258 -12.365 11.160 1.00 24.21 H new ATOM 679 N ALA A 31 14.071 -10.663 5.901 1.00 13.00 N ATOM 680 CA ALA A 31 13.374 -9.628 5.141 1.00 53.21 C ATOM 681 C ALA A 31 12.802 -10.199 3.838 1.00 45.35 C ATOM 682 O ALA A 31 11.945 -9.578 3.208 1.00 64.14 O ATOM 683 CB ALA A 31 14.308 -8.463 4.848 1.00 32.31 C ATOM 0 H ALA A 31 15.079 -10.529 5.975 1.00 13.00 H new ATOM 0 HA ALA A 31 12.543 -9.263 5.745 1.00 53.21 H new ATOM 0 HB1 ALA A 31 13.773 -7.701 4.281 1.00 32.31 H new ATOM 0 HB2 ALA A 31 14.662 -8.036 5.786 1.00 32.31 H new ATOM 0 HB3 ALA A 31 15.159 -8.817 4.266 1.00 32.31 H new ATOM 689 N ALA A 32 13.276 -11.391 3.449 1.00 21.43 N ATOM 690 CA ALA A 32 12.808 -12.060 2.231 1.00 31.20 C ATOM 691 C ALA A 32 11.771 -13.135 2.565 1.00 72.33 C ATOM 692 O ALA A 32 10.848 -13.388 1.788 1.00 61.14 O ATOM 693 CB ALA A 32 13.980 -12.672 1.478 1.00 2.52 C ATOM 0 H ALA A 32 13.986 -11.912 3.964 1.00 21.43 H new ATOM 0 HA ALA A 32 12.334 -11.314 1.593 1.00 31.20 H new ATOM 0 HB1 ALA A 32 13.616 -13.165 0.577 1.00 2.52 H new ATOM 0 HB2 ALA A 32 14.685 -11.888 1.203 1.00 2.52 H new ATOM 0 HB3 ALA A 32 14.480 -13.403 2.114 1.00 2.52 H new ATOM 699 N HIS A 33 11.928 -13.748 3.739 1.00 43.24 N ATOM 700 CA HIS A 33 11.016 -14.779 4.219 1.00 1.23 C ATOM 701 C HIS A 33 10.244 -14.237 5.418 1.00 61.14 C ATOM 702 O HIS A 33 10.065 -14.928 6.422 1.00 14.32 O ATOM 703 CB HIS A 33 11.787 -16.039 4.630 1.00 41.43 C ATOM 704 CG HIS A 33 12.647 -16.618 3.548 1.00 14.22 C ATOM 705 ND1 HIS A 33 13.846 -16.223 3.056 1.00 52.35 N flip ATOM 706 CD2 HIS A 33 12.306 -17.754 2.847 1.00 0.13 C flip ATOM 707 CE1 HIS A 33 14.201 -17.120 2.080 1.00 13.42 C flip ATOM 708 NE2 HIS A 33 13.256 -18.034 1.974 1.00 43.33 N flip ATOM 0 H HIS A 33 12.692 -13.541 4.382 1.00 43.24 H new ATOM 0 HA HIS A 33 10.327 -15.045 3.417 1.00 1.23 H new ATOM 0 HB2 HIS A 33 12.415 -15.802 5.489 1.00 41.43 H new ATOM 0 HB3 HIS A 33 11.074 -16.797 4.955 1.00 41.43 H new ATOM 0 HD1 HIS A 33 14.385 -15.410 3.355 1.00 52.35 H new ATOM 0 HD2 HIS A 33 11.402 -18.327 2.990 1.00 0.13 H new ATOM 0 HE1 HIS A 33 15.107 -17.083 1.494 1.00 13.42 H new ATOM 716 N ASP A 34 9.816 -12.980 5.316 1.00 42.54 N ATOM 717 CA ASP A 34 9.095 -12.325 6.391 1.00 52.21 C ATOM 718 C ASP A 34 7.632 -12.778 6.443 1.00 21.13 C ATOM 719 O ASP A 34 7.011 -12.749 7.508 1.00 71.41 O ATOM 720 CB ASP A 34 9.212 -10.802 6.218 1.00 1.33 C ATOM 721 CG ASP A 34 7.925 -10.152 5.738 1.00 71.54 C ATOM 722 OD1 ASP A 34 7.685 -10.154 4.512 1.00 32.42 O ATOM 723 OD2 ASP A 34 7.163 -9.637 6.581 1.00 31.20 O ATOM 0 H ASP A 34 9.960 -12.397 4.492 1.00 42.54 H new ATOM 0 HA ASP A 34 9.539 -12.609 7.345 1.00 52.21 H new ATOM 0 HB2 ASP A 34 9.503 -10.356 7.169 1.00 1.33 H new ATOM 0 HB3 ASP A 34 10.009 -10.584 5.507 1.00 1.33 H new ATOM 728 N ASN A 35 7.085 -13.192 5.291 1.00 41.03 N ATOM 729 CA ASN A 35 5.690 -13.645 5.220 1.00 44.03 C ATOM 730 C ASN A 35 4.752 -12.499 5.598 1.00 60.43 C ATOM 731 O ASN A 35 3.884 -12.637 6.464 1.00 3.13 O ATOM 732 CB ASN A 35 5.456 -14.854 6.140 1.00 33.23 C ATOM 733 CG ASN A 35 6.506 -15.937 5.968 1.00 55.54 C ATOM 734 OD1 ASN A 35 6.424 -16.758 5.056 1.00 11.22 O ATOM 735 ND2 ASN A 35 7.502 -15.945 6.847 1.00 5.23 N ATOM 0 H ASN A 35 7.584 -13.222 4.402 1.00 41.03 H new ATOM 0 HA ASN A 35 5.479 -13.956 4.197 1.00 44.03 H new ATOM 0 HB2 ASN A 35 5.452 -14.520 7.177 1.00 33.23 H new ATOM 0 HB3 ASN A 35 4.471 -15.274 5.937 1.00 33.23 H new ATOM 0 HD21 ASN A 35 8.236 -16.650 6.780 1.00 5.23 H new ATOM 0 HD22 ASN A 35 7.533 -15.246 7.589 1.00 5.23 H new ATOM 742 N LEU A 36 4.962 -11.360 4.946 1.00 3.32 N ATOM 743 CA LEU A 36 4.182 -10.153 5.193 1.00 24.14 C ATOM 744 C LEU A 36 2.702 -10.340 4.856 1.00 43.34 C ATOM 745 O LEU A 36 2.338 -10.555 3.696 1.00 74.22 O ATOM 746 CB LEU A 36 4.767 -9.000 4.374 1.00 32.11 C ATOM 747 CG LEU A 36 4.054 -7.656 4.517 1.00 12.43 C ATOM 748 CD1 LEU A 36 4.404 -6.999 5.844 1.00 11.22 C ATOM 749 CD2 LEU A 36 4.417 -6.751 3.348 1.00 62.23 C ATOM 0 H LEU A 36 5.680 -11.248 4.230 1.00 3.32 H new ATOM 0 HA LEU A 36 4.240 -9.927 6.258 1.00 24.14 H new ATOM 0 HB2 LEU A 36 5.811 -8.869 4.660 1.00 32.11 H new ATOM 0 HB3 LEU A 36 4.758 -9.285 3.322 1.00 32.11 H new ATOM 0 HG LEU A 36 2.977 -7.825 4.505 1.00 12.43 H new ATOM 0 HD11 LEU A 36 3.886 -6.044 5.925 1.00 11.22 H new ATOM 0 HD12 LEU A 36 4.097 -7.649 6.664 1.00 11.22 H new ATOM 0 HD13 LEU A 36 5.480 -6.833 5.895 1.00 11.22 H new ATOM 0 HD21 LEU A 36 3.906 -5.795 3.456 1.00 62.23 H new ATOM 0 HD22 LEU A 36 5.495 -6.587 3.336 1.00 62.23 H new ATOM 0 HD23 LEU A 36 4.111 -7.223 2.414 1.00 62.23 H new ATOM 761 N LYS A 37 1.852 -10.226 5.878 1.00 71.12 N ATOM 762 CA LYS A 37 0.406 -10.350 5.697 1.00 60.54 C ATOM 763 C LYS A 37 -0.213 -8.958 5.596 1.00 24.21 C ATOM 764 O LYS A 37 -0.047 -8.137 6.498 1.00 3.53 O ATOM 765 CB LYS A 37 -0.222 -11.132 6.857 1.00 11.53 C ATOM 766 CG LYS A 37 -0.454 -12.603 6.543 1.00 13.02 C ATOM 767 CD LYS A 37 -1.854 -12.849 5.996 1.00 72.43 C ATOM 768 CE LYS A 37 -2.878 -13.002 7.113 1.00 71.34 C ATOM 769 NZ LYS A 37 -3.324 -14.415 7.273 1.00 32.13 N ATOM 0 H LYS A 37 2.141 -10.048 6.840 1.00 71.12 H new ATOM 0 HA LYS A 37 0.210 -10.900 4.777 1.00 60.54 H new ATOM 0 HB2 LYS A 37 0.425 -11.053 7.730 1.00 11.53 H new ATOM 0 HB3 LYS A 37 -1.173 -10.671 7.122 1.00 11.53 H new ATOM 0 HG2 LYS A 37 0.285 -12.941 5.816 1.00 13.02 H new ATOM 0 HG3 LYS A 37 -0.307 -13.195 7.446 1.00 13.02 H new ATOM 0 HD2 LYS A 37 -2.142 -12.020 5.349 1.00 72.43 H new ATOM 0 HD3 LYS A 37 -1.851 -13.748 5.380 1.00 72.43 H new ATOM 0 HE2 LYS A 37 -2.447 -12.650 8.050 1.00 71.34 H new ATOM 0 HE3 LYS A 37 -3.741 -12.371 6.902 1.00 71.34 H new ATOM 0 HZ1 LYS A 37 -3.955 -14.489 8.097 1.00 32.13 H new ATOM 0 HZ2 LYS A 37 -3.834 -14.717 6.418 1.00 32.13 H new ATOM 0 HZ3 LYS A 37 -2.495 -15.027 7.416 1.00 32.13 H new ATOM 783 N LEU A 38 -0.898 -8.687 4.484 1.00 53.05 N ATOM 784 CA LEU A 38 -1.505 -7.374 4.263 1.00 55.31 C ATOM 785 C LEU A 38 -3.027 -7.399 4.350 1.00 42.42 C ATOM 786 O LEU A 38 -3.691 -8.276 3.794 1.00 35.15 O ATOM 787 CB LEU A 38 -1.090 -6.827 2.898 1.00 51.31 C ATOM 788 CG LEU A 38 0.049 -5.811 2.922 1.00 54.31 C ATOM 789 CD1 LEU A 38 1.363 -6.493 3.258 1.00 13.53 C ATOM 790 CD2 LEU A 38 0.146 -5.086 1.589 1.00 32.41 C ATOM 0 H LEU A 38 -1.046 -9.354 3.727 1.00 53.05 H new ATOM 0 HA LEU A 38 -1.142 -6.727 5.061 1.00 55.31 H new ATOM 0 HB2 LEU A 38 -0.796 -7.663 2.264 1.00 51.31 H new ATOM 0 HB3 LEU A 38 -1.959 -6.363 2.431 1.00 51.31 H new ATOM 0 HG LEU A 38 -0.163 -5.074 3.697 1.00 54.31 H new ATOM 0 HD11 LEU A 38 2.164 -5.754 3.271 1.00 13.53 H new ATOM 0 HD12 LEU A 38 1.288 -6.964 4.238 1.00 13.53 H new ATOM 0 HD13 LEU A 38 1.582 -7.252 2.507 1.00 13.53 H new ATOM 0 HD21 LEU A 38 0.963 -4.366 1.625 1.00 32.41 H new ATOM 0 HD22 LEU A 38 0.334 -5.808 0.795 1.00 32.41 H new ATOM 0 HD23 LEU A 38 -0.790 -4.563 1.390 1.00 32.41 H new ATOM 802 N THR A 39 -3.557 -6.389 5.027 1.00 4.12 N ATOM 803 CA THR A 39 -4.998 -6.202 5.191 1.00 34.14 C ATOM 804 C THR A 39 -5.335 -4.761 4.855 1.00 60.12 C ATOM 805 O THR A 39 -4.731 -3.832 5.392 1.00 0.32 O ATOM 806 CB THR A 39 -5.444 -6.547 6.618 1.00 24.24 C ATOM 807 OG1 THR A 39 -4.585 -7.515 7.200 1.00 60.24 O ATOM 808 CG2 THR A 39 -6.855 -7.089 6.688 1.00 13.24 C ATOM 0 H THR A 39 -2.997 -5.669 5.483 1.00 4.12 H new ATOM 0 HA THR A 39 -5.531 -6.875 4.519 1.00 34.14 H new ATOM 0 HB THR A 39 -5.402 -5.605 7.165 1.00 24.24 H new ATOM 0 HG1 THR A 39 -4.889 -7.717 8.110 1.00 60.24 H new ATOM 0 HG21 THR A 39 -7.108 -7.313 7.724 1.00 13.24 H new ATOM 0 HG22 THR A 39 -7.550 -6.346 6.297 1.00 13.24 H new ATOM 0 HG23 THR A 39 -6.925 -7.999 6.093 1.00 13.24 H new ATOM 816 N ILE A 40 -6.265 -4.585 3.931 1.00 63.45 N ATOM 817 CA ILE A 40 -6.645 -3.259 3.479 1.00 32.40 C ATOM 818 C ILE A 40 -8.037 -2.857 3.968 1.00 3.04 C ATOM 819 O ILE A 40 -9.019 -3.566 3.739 1.00 63.13 O ATOM 820 CB ILE A 40 -6.610 -3.183 1.937 1.00 13.50 C ATOM 821 CG1 ILE A 40 -5.493 -4.066 1.358 1.00 43.23 C ATOM 822 CG2 ILE A 40 -6.444 -1.747 1.474 1.00 45.13 C ATOM 823 CD1 ILE A 40 -4.118 -3.438 1.421 1.00 40.54 C ATOM 0 H ILE A 40 -6.771 -5.346 3.479 1.00 63.45 H new ATOM 0 HA ILE A 40 -5.921 -2.563 3.904 1.00 32.40 H new ATOM 0 HB ILE A 40 -7.563 -3.561 1.566 1.00 13.50 H new ATOM 0 HG12 ILE A 40 -5.474 -5.012 1.899 1.00 43.23 H new ATOM 0 HG13 ILE A 40 -5.728 -4.297 0.319 1.00 43.23 H new ATOM 0 HG21 ILE A 40 -6.422 -1.716 0.385 1.00 45.13 H new ATOM 0 HG22 ILE A 40 -7.280 -1.149 1.837 1.00 45.13 H new ATOM 0 HG23 ILE A 40 -5.511 -1.343 1.867 1.00 45.13 H new ATOM 0 HD11 ILE A 40 -3.385 -4.123 0.994 1.00 40.54 H new ATOM 0 HD12 ILE A 40 -4.117 -2.506 0.855 1.00 40.54 H new ATOM 0 HD13 ILE A 40 -3.859 -3.232 2.460 1.00 40.54 H new ATOM 835 N THR A 41 -8.105 -1.702 4.632 1.00 54.24 N ATOM 836 CA THR A 41 -9.365 -1.166 5.150 1.00 51.53 C ATOM 837 C THR A 41 -9.314 0.366 5.175 1.00 13.25 C ATOM 838 O THR A 41 -8.411 0.952 5.776 1.00 34.23 O ATOM 839 CB THR A 41 -9.662 -1.723 6.550 1.00 54.44 C ATOM 840 OG1 THR A 41 -8.502 -2.303 7.129 1.00 3.41 O ATOM 841 CG2 THR A 41 -10.746 -2.780 6.547 1.00 35.25 C ATOM 0 H THR A 41 -7.294 -1.115 4.825 1.00 54.24 H new ATOM 0 HA THR A 41 -10.173 -1.478 4.488 1.00 51.53 H new ATOM 0 HB THR A 41 -10.001 -0.866 7.133 1.00 54.44 H new ATOM 0 HG1 THR A 41 -7.764 -1.659 7.099 1.00 3.41 H new ATOM 0 HG21 THR A 41 -10.911 -3.135 7.564 1.00 35.25 H new ATOM 0 HG22 THR A 41 -11.670 -2.352 6.158 1.00 35.25 H new ATOM 0 HG23 THR A 41 -10.439 -3.615 5.917 1.00 35.25 H new ATOM 849 N GLN A 42 -10.263 1.012 4.491 1.00 12.40 N ATOM 850 CA GLN A 42 -10.293 2.478 4.407 1.00 11.23 C ATOM 851 C GLN A 42 -11.656 3.055 4.776 1.00 64.22 C ATOM 852 O GLN A 42 -12.690 2.409 4.596 1.00 53.05 O ATOM 853 CB GLN A 42 -9.937 2.903 2.980 1.00 71.12 C ATOM 854 CG GLN A 42 -9.791 4.407 2.754 1.00 31.40 C ATOM 855 CD GLN A 42 -10.560 4.865 1.532 1.00 54.33 C ATOM 856 OE1 GLN A 42 -11.790 4.927 1.546 1.00 22.20 O ATOM 857 NE2 GLN A 42 -9.840 5.180 0.460 1.00 60.41 N ATOM 0 H GLN A 42 -11.019 0.546 3.989 1.00 12.40 H new ATOM 0 HA GLN A 42 -9.568 2.865 5.123 1.00 11.23 H new ATOM 0 HB2 GLN A 42 -9.001 2.419 2.699 1.00 71.12 H new ATOM 0 HB3 GLN A 42 -10.706 2.526 2.306 1.00 71.12 H new ATOM 0 HG2 GLN A 42 -10.149 4.944 3.632 1.00 31.40 H new ATOM 0 HG3 GLN A 42 -8.737 4.657 2.636 1.00 31.40 H new ATOM 0 HE21 GLN A 42 -8.823 5.114 0.492 1.00 60.41 H new ATOM 0 HE22 GLN A 42 -10.305 5.487 -0.394 1.00 60.41 H new ATOM 866 N GLU A 43 -11.640 4.294 5.261 1.00 44.32 N ATOM 867 CA GLU A 43 -12.858 5.007 5.628 1.00 55.23 C ATOM 868 C GLU A 43 -12.749 6.457 5.165 1.00 62.13 C ATOM 869 O GLU A 43 -12.503 7.364 5.963 1.00 44.33 O ATOM 870 CB GLU A 43 -13.108 4.946 7.143 1.00 52.44 C ATOM 871 CG GLU A 43 -12.107 4.093 7.910 1.00 11.51 C ATOM 872 CD GLU A 43 -11.677 4.730 9.217 1.00 4.24 C ATOM 873 OE1 GLU A 43 -11.146 5.861 9.178 1.00 12.14 O ATOM 874 OE2 GLU A 43 -11.861 4.098 10.277 1.00 11.50 O ATOM 0 H GLU A 43 -10.785 4.830 5.410 1.00 44.32 H new ATOM 0 HA GLU A 43 -13.705 4.527 5.138 1.00 55.23 H new ATOM 0 HB2 GLU A 43 -13.086 5.959 7.544 1.00 52.44 H new ATOM 0 HB3 GLU A 43 -14.110 4.555 7.318 1.00 52.44 H new ATOM 0 HG2 GLU A 43 -12.548 3.117 8.114 1.00 11.51 H new ATOM 0 HG3 GLU A 43 -11.229 3.922 7.287 1.00 11.51 H new ATOM 881 N GLY A 44 -12.913 6.660 3.859 1.00 54.53 N ATOM 882 CA GLY A 44 -12.815 7.997 3.292 1.00 74.33 C ATOM 883 C GLY A 44 -11.480 8.270 2.653 1.00 73.43 C ATOM 884 O GLY A 44 -11.061 7.578 1.728 1.00 0.12 O ATOM 0 H GLY A 44 -13.112 5.923 3.183 1.00 54.53 H new ATOM 0 HA2 GLY A 44 -13.601 8.128 2.548 1.00 74.33 H new ATOM 0 HA3 GLY A 44 -12.993 8.732 4.077 1.00 74.33 H new ATOM 888 N ASN A 45 -10.816 9.283 3.159 1.00 43.43 N ATOM 889 CA ASN A 45 -9.507 9.680 2.670 1.00 4.35 C ATOM 890 C ASN A 45 -8.440 9.255 3.677 1.00 15.04 C ATOM 891 O ASN A 45 -7.313 9.751 3.672 1.00 13.00 O ATOM 892 CB ASN A 45 -9.503 11.193 2.416 1.00 51.14 C ATOM 893 CG ASN A 45 -8.797 12.000 3.495 1.00 52.31 C ATOM 894 OD1 ASN A 45 -9.323 12.179 4.595 1.00 72.44 O ATOM 895 ND2 ASN A 45 -7.604 12.496 3.183 1.00 42.33 N ATOM 0 H ASN A 45 -11.166 9.860 3.924 1.00 43.43 H new ATOM 0 HA ASN A 45 -9.280 9.186 1.726 1.00 4.35 H new ATOM 0 HB2 ASN A 45 -9.022 11.389 1.457 1.00 51.14 H new ATOM 0 HB3 ASN A 45 -10.533 11.540 2.333 1.00 51.14 H new ATOM 0 HD21 ASN A 45 -7.087 13.049 3.866 1.00 42.33 H new ATOM 0 HD22 ASN A 45 -7.205 12.323 2.260 1.00 42.33 H new ATOM 902 N LYS A 46 -8.820 8.304 4.532 1.00 21.13 N ATOM 903 CA LYS A 46 -7.933 7.773 5.552 1.00 43.55 C ATOM 904 C LYS A 46 -7.901 6.256 5.443 1.00 42.34 C ATOM 905 O LYS A 46 -8.911 5.584 5.671 1.00 1.03 O ATOM 906 CB LYS A 46 -8.406 8.225 6.938 1.00 0.23 C ATOM 907 CG LYS A 46 -7.768 7.481 8.102 1.00 40.04 C ATOM 908 CD LYS A 46 -8.227 8.054 9.436 1.00 20.10 C ATOM 909 CE LYS A 46 -7.966 7.095 10.590 1.00 4.01 C ATOM 910 NZ LYS A 46 -8.728 5.821 10.451 1.00 33.42 N ATOM 0 H LYS A 46 -9.750 7.885 4.532 1.00 21.13 H new ATOM 0 HA LYS A 46 -6.922 8.152 5.405 1.00 43.55 H new ATOM 0 HB2 LYS A 46 -8.199 9.290 7.048 1.00 0.23 H new ATOM 0 HB3 LYS A 46 -9.488 8.103 6.995 1.00 0.23 H new ATOM 0 HG2 LYS A 46 -8.028 6.424 8.048 1.00 40.04 H new ATOM 0 HG3 LYS A 46 -6.682 7.547 8.029 1.00 40.04 H new ATOM 0 HD2 LYS A 46 -7.710 8.995 9.623 1.00 20.10 H new ATOM 0 HD3 LYS A 46 -9.292 8.280 9.386 1.00 20.10 H new ATOM 0 HE2 LYS A 46 -6.900 6.874 10.642 1.00 4.01 H new ATOM 0 HE3 LYS A 46 -8.238 7.578 11.529 1.00 4.01 H new ATOM 0 HZ1 LYS A 46 -8.871 5.398 11.390 1.00 33.42 H new ATOM 0 HZ2 LYS A 46 -9.652 6.015 10.015 1.00 33.42 H new ATOM 0 HZ3 LYS A 46 -8.194 5.161 9.851 1.00 33.42 H new ATOM 924 N PHE A 47 -6.749 5.728 5.057 1.00 54.12 N ATOM 925 CA PHE A 47 -6.588 4.295 4.880 1.00 23.11 C ATOM 926 C PHE A 47 -5.756 3.685 5.990 1.00 33.44 C ATOM 927 O PHE A 47 -4.779 4.277 6.447 1.00 43.04 O ATOM 928 CB PHE A 47 -5.927 4.012 3.537 1.00 1.40 C ATOM 929 CG PHE A 47 -6.617 2.959 2.729 1.00 51.31 C ATOM 930 CD1 PHE A 47 -6.818 1.693 3.247 1.00 71.12 C ATOM 931 CD2 PHE A 47 -7.073 3.243 1.452 1.00 62.42 C ATOM 932 CE1 PHE A 47 -7.463 0.726 2.502 1.00 25.43 C ATOM 933 CE2 PHE A 47 -7.716 2.279 0.701 1.00 40.13 C ATOM 934 CZ PHE A 47 -7.912 1.019 1.227 1.00 72.21 C ATOM 0 H PHE A 47 -5.910 6.274 4.860 1.00 54.12 H new ATOM 0 HA PHE A 47 -7.579 3.843 4.911 1.00 23.11 H new ATOM 0 HB2 PHE A 47 -5.893 4.935 2.959 1.00 1.40 H new ATOM 0 HB3 PHE A 47 -4.895 3.706 3.709 1.00 1.40 H new ATOM 0 HD1 PHE A 47 -6.468 1.459 4.242 1.00 71.12 H new ATOM 0 HD2 PHE A 47 -6.924 4.230 1.039 1.00 62.42 H new ATOM 0 HE1 PHE A 47 -7.617 -0.260 2.915 1.00 25.43 H new ATOM 0 HE2 PHE A 47 -8.064 2.511 -0.295 1.00 40.13 H new ATOM 0 HZ PHE A 47 -8.415 0.262 0.644 1.00 72.21 H new ATOM 944 N THR A 48 -6.143 2.484 6.392 1.00 41.33 N ATOM 945 CA THR A 48 -5.432 1.756 7.430 1.00 22.53 C ATOM 946 C THR A 48 -5.154 0.333 6.970 1.00 32.44 C ATOM 947 O THR A 48 -6.075 -0.401 6.602 1.00 34.13 O ATOM 948 CB THR A 48 -6.225 1.745 8.741 1.00 32.31 C ATOM 949 OG1 THR A 48 -6.632 3.055 9.101 1.00 52.13 O ATOM 950 CG2 THR A 48 -5.444 1.172 9.906 1.00 42.12 C ATOM 0 H THR A 48 -6.951 1.991 6.012 1.00 41.33 H new ATOM 0 HA THR A 48 -4.485 2.264 7.615 1.00 22.53 H new ATOM 0 HB THR A 48 -7.087 1.106 8.548 1.00 32.31 H new ATOM 0 HG1 THR A 48 -7.138 3.022 9.940 1.00 52.13 H new ATOM 0 HG21 THR A 48 -6.062 1.193 10.804 1.00 42.12 H new ATOM 0 HG22 THR A 48 -5.162 0.143 9.684 1.00 42.12 H new ATOM 0 HG23 THR A 48 -4.546 1.767 10.070 1.00 42.12 H new ATOM 958 N VAL A 49 -3.881 -0.047 6.980 1.00 51.55 N ATOM 959 CA VAL A 49 -3.480 -1.376 6.552 1.00 11.04 C ATOM 960 C VAL A 49 -2.624 -2.067 7.611 1.00 32.14 C ATOM 961 O VAL A 49 -1.600 -1.532 8.047 1.00 64.22 O ATOM 962 CB VAL A 49 -2.716 -1.322 5.213 1.00 63.23 C ATOM 963 CG1 VAL A 49 -3.659 -0.946 4.077 1.00 24.14 C ATOM 964 CG2 VAL A 49 -1.550 -0.347 5.281 1.00 12.03 C ATOM 0 H VAL A 49 -3.110 0.550 7.281 1.00 51.55 H new ATOM 0 HA VAL A 49 -4.391 -1.957 6.412 1.00 11.04 H new ATOM 0 HB VAL A 49 -2.311 -2.315 5.018 1.00 63.23 H new ATOM 0 HG11 VAL A 49 -3.104 -0.912 3.139 1.00 24.14 H new ATOM 0 HG12 VAL A 49 -4.453 -1.689 4.002 1.00 24.14 H new ATOM 0 HG13 VAL A 49 -4.096 0.033 4.275 1.00 24.14 H new ATOM 0 HG21 VAL A 49 -1.032 -0.332 4.322 1.00 12.03 H new ATOM 0 HG22 VAL A 49 -1.924 0.652 5.507 1.00 12.03 H new ATOM 0 HG23 VAL A 49 -0.858 -0.661 6.062 1.00 12.03 H new ATOM 974 N LYS A 50 -3.059 -3.255 8.028 1.00 51.25 N ATOM 975 CA LYS A 50 -2.345 -4.024 9.044 1.00 34.22 C ATOM 976 C LYS A 50 -1.359 -4.996 8.403 1.00 73.11 C ATOM 977 O LYS A 50 -1.756 -5.903 7.664 1.00 25.42 O ATOM 978 CB LYS A 50 -3.332 -4.785 9.933 1.00 34.45 C ATOM 979 CG LYS A 50 -2.931 -4.809 11.400 1.00 53.15 C ATOM 980 CD LYS A 50 -4.118 -4.544 12.311 1.00 3.50 C ATOM 981 CE LYS A 50 -3.670 -4.124 13.703 1.00 13.15 C ATOM 982 NZ LYS A 50 -4.531 -3.048 14.272 1.00 34.21 N ATOM 0 H LYS A 50 -3.904 -3.706 7.677 1.00 51.25 H new ATOM 0 HA LYS A 50 -1.783 -3.323 9.661 1.00 34.22 H new ATOM 0 HB2 LYS A 50 -4.318 -4.329 9.841 1.00 34.45 H new ATOM 0 HB3 LYS A 50 -3.420 -5.810 9.571 1.00 34.45 H new ATOM 0 HG2 LYS A 50 -2.495 -5.778 11.642 1.00 53.15 H new ATOM 0 HG3 LYS A 50 -2.160 -4.059 11.579 1.00 53.15 H new ATOM 0 HD2 LYS A 50 -4.743 -3.763 11.878 1.00 3.50 H new ATOM 0 HD3 LYS A 50 -4.732 -5.442 12.381 1.00 3.50 H new ATOM 0 HE2 LYS A 50 -3.688 -4.990 14.365 1.00 13.15 H new ATOM 0 HE3 LYS A 50 -2.638 -3.777 13.661 1.00 13.15 H new ATOM 0 HZ1 LYS A 50 -3.981 -2.486 14.953 1.00 34.21 H new ATOM 0 HZ2 LYS A 50 -4.867 -2.431 13.506 1.00 34.21 H new ATOM 0 HZ3 LYS A 50 -5.347 -3.475 14.755 1.00 34.21 H new ATOM 996 N GLU A 51 -0.073 -4.798 8.693 1.00 41.41 N ATOM 997 CA GLU A 51 0.982 -5.647 8.151 1.00 2.42 C ATOM 998 C GLU A 51 1.748 -6.344 9.271 1.00 40.32 C ATOM 999 O GLU A 51 2.118 -5.717 10.266 1.00 43.43 O ATOM 1000 CB GLU A 51 1.948 -4.815 7.304 1.00 24.43 C ATOM 1001 CG GLU A 51 1.468 -4.591 5.879 1.00 2.05 C ATOM 1002 CD GLU A 51 0.421 -3.499 5.782 1.00 1.34 C ATOM 1003 OE1 GLU A 51 0.796 -2.311 5.863 1.00 43.54 O ATOM 1004 OE2 GLU A 51 -0.772 -3.833 5.626 1.00 61.22 O ATOM 0 H GLU A 51 0.262 -4.053 9.303 1.00 41.41 H new ATOM 0 HA GLU A 51 0.516 -6.407 7.523 1.00 2.42 H new ATOM 0 HB2 GLU A 51 2.099 -3.848 7.784 1.00 24.43 H new ATOM 0 HB3 GLU A 51 2.917 -5.313 7.278 1.00 24.43 H new ATOM 0 HG2 GLU A 51 2.319 -4.330 5.250 1.00 2.05 H new ATOM 0 HG3 GLU A 51 1.055 -5.521 5.488 1.00 2.05 H new ATOM 1011 N SER A 52 1.989 -7.639 9.099 1.00 34.51 N ATOM 1012 CA SER A 52 2.720 -8.418 10.091 1.00 24.54 C ATOM 1013 C SER A 52 3.910 -9.119 9.448 1.00 41.21 C ATOM 1014 O SER A 52 3.773 -9.771 8.410 1.00 12.32 O ATOM 1015 CB SER A 52 1.803 -9.448 10.752 1.00 0.53 C ATOM 1016 OG SER A 52 0.636 -8.837 11.279 1.00 74.44 O ATOM 0 H SER A 52 1.689 -8.171 8.282 1.00 34.51 H new ATOM 0 HA SER A 52 3.085 -7.734 10.857 1.00 24.54 H new ATOM 0 HB2 SER A 52 1.521 -10.207 10.023 1.00 0.53 H new ATOM 0 HB3 SER A 52 2.342 -9.958 11.551 1.00 0.53 H new ATOM 0 HG SER A 52 0.068 -9.520 11.694 1.00 74.44 H new ATOM 1022 N SER A 53 5.077 -8.979 10.071 1.00 31.11 N ATOM 1023 CA SER A 53 6.298 -9.594 9.570 1.00 14.42 C ATOM 1024 C SER A 53 6.833 -10.621 10.563 1.00 73.11 C ATOM 1025 O SER A 53 6.309 -10.767 11.671 1.00 45.21 O ATOM 1026 CB SER A 53 7.363 -8.526 9.299 1.00 24.21 C ATOM 1027 OG SER A 53 6.843 -7.475 8.500 1.00 41.33 O ATOM 0 H SER A 53 5.201 -8.441 10.929 1.00 31.11 H new ATOM 0 HA SER A 53 6.062 -10.103 8.636 1.00 14.42 H new ATOM 0 HB2 SER A 53 7.726 -8.122 10.244 1.00 24.21 H new ATOM 0 HB3 SER A 53 8.217 -8.980 8.797 1.00 24.21 H new ATOM 0 HG SER A 53 6.768 -7.777 7.571 1.00 41.33 H new ATOM 1033 N ALA A 54 7.876 -11.334 10.153 1.00 53.43 N ATOM 1034 CA ALA A 54 8.490 -12.360 10.990 1.00 52.45 C ATOM 1035 C ALA A 54 9.080 -11.789 12.282 1.00 3.21 C ATOM 1036 O ALA A 54 9.070 -12.459 13.317 1.00 22.41 O ATOM 1037 CB ALA A 54 9.571 -13.083 10.203 1.00 53.02 C ATOM 0 H ALA A 54 8.317 -11.220 9.240 1.00 53.43 H new ATOM 0 HA ALA A 54 7.704 -13.058 11.278 1.00 52.45 H new ATOM 0 HB1 ALA A 54 10.028 -13.848 10.831 1.00 53.02 H new ATOM 0 HB2 ALA A 54 9.129 -13.551 9.323 1.00 53.02 H new ATOM 0 HB3 ALA A 54 10.333 -12.369 9.890 1.00 53.02 H new ATOM 1043 N PHE A 55 9.613 -10.563 12.220 1.00 40.31 N ATOM 1044 CA PHE A 55 10.226 -9.941 13.400 1.00 4.13 C ATOM 1045 C PHE A 55 9.406 -8.784 13.985 1.00 13.44 C ATOM 1046 O PHE A 55 9.849 -8.148 14.945 1.00 34.45 O ATOM 1047 CB PHE A 55 11.649 -9.463 13.082 1.00 55.21 C ATOM 1048 CG PHE A 55 11.767 -8.611 11.848 1.00 23.13 C ATOM 1049 CD1 PHE A 55 11.924 -9.195 10.602 1.00 2.34 C ATOM 1050 CD2 PHE A 55 11.737 -7.229 11.937 1.00 11.33 C ATOM 1051 CE1 PHE A 55 12.046 -8.417 9.466 1.00 64.22 C ATOM 1052 CE2 PHE A 55 11.862 -6.445 10.806 1.00 72.12 C ATOM 1053 CZ PHE A 55 12.017 -7.039 9.568 1.00 72.43 C ATOM 0 H PHE A 55 9.633 -9.988 11.378 1.00 40.31 H new ATOM 0 HA PHE A 55 10.256 -10.719 14.163 1.00 4.13 H new ATOM 0 HB2 PHE A 55 12.026 -8.898 13.934 1.00 55.21 H new ATOM 0 HB3 PHE A 55 12.293 -10.335 12.967 1.00 55.21 H new ATOM 0 HD1 PHE A 55 11.951 -10.271 10.517 1.00 2.34 H new ATOM 0 HD2 PHE A 55 11.614 -6.759 12.902 1.00 11.33 H new ATOM 0 HE1 PHE A 55 12.164 -8.885 8.500 1.00 64.22 H new ATOM 0 HE2 PHE A 55 11.839 -5.368 10.890 1.00 72.12 H new ATOM 0 HZ PHE A 55 12.115 -6.428 8.683 1.00 72.43 H new ATOM 1063 N ARG A 56 8.223 -8.502 13.426 1.00 34.30 N ATOM 1064 CA ARG A 56 7.389 -7.408 13.939 1.00 13.05 C ATOM 1065 C ARG A 56 6.063 -7.285 13.186 1.00 72.24 C ATOM 1066 O ARG A 56 5.981 -7.586 11.999 1.00 13.31 O ATOM 1067 CB ARG A 56 8.143 -6.074 13.851 1.00 13.22 C ATOM 1068 CG ARG A 56 8.366 -5.584 12.425 1.00 32.30 C ATOM 1069 CD ARG A 56 8.414 -4.065 12.362 1.00 24.50 C ATOM 1070 NE ARG A 56 7.673 -3.532 11.216 1.00 53.23 N ATOM 1071 CZ ARG A 56 7.106 -2.321 11.192 1.00 71.23 C ATOM 1072 NH1 ARG A 56 7.169 -1.524 12.257 1.00 1.03 N ATOM 1073 NH2 ARG A 56 6.471 -1.905 10.100 1.00 24.10 N ATOM 0 H ARG A 56 7.827 -9.006 12.633 1.00 34.30 H new ATOM 0 HA ARG A 56 7.166 -7.645 14.979 1.00 13.05 H new ATOM 0 HB2 ARG A 56 7.586 -5.316 14.402 1.00 13.22 H new ATOM 0 HB3 ARG A 56 9.110 -6.181 14.343 1.00 13.22 H new ATOM 0 HG2 ARG A 56 9.299 -5.995 12.039 1.00 32.30 H new ATOM 0 HG3 ARG A 56 7.565 -5.951 11.783 1.00 32.30 H new ATOM 0 HD2 ARG A 56 8.001 -3.652 13.282 1.00 24.50 H new ATOM 0 HD3 ARG A 56 9.452 -3.739 12.304 1.00 24.50 H new ATOM 0 HE ARG A 56 7.584 -4.120 10.387 1.00 53.23 H new ATOM 0 HH11 ARG A 56 7.652 -1.836 13.099 1.00 1.03 H new ATOM 0 HH12 ARG A 56 6.734 -0.602 12.230 1.00 1.03 H new ATOM 0 HH21 ARG A 56 6.416 -2.510 9.280 1.00 24.10 H new ATOM 0 HH22 ARG A 56 6.039 -0.981 10.082 1.00 24.10 H new ATOM 1087 N ASN A 57 5.039 -6.806 13.892 1.00 31.42 N ATOM 1088 CA ASN A 57 3.710 -6.598 13.312 1.00 54.41 C ATOM 1089 C ASN A 57 3.147 -5.269 13.812 1.00 74.24 C ATOM 1090 O ASN A 57 3.114 -5.029 15.021 1.00 24.15 O ATOM 1091 CB ASN A 57 2.751 -7.739 13.689 1.00 24.20 C ATOM 1092 CG ASN A 57 3.463 -9.052 13.971 1.00 73.23 C ATOM 1093 OD1 ASN A 57 4.013 -9.679 13.068 1.00 51.04 O ATOM 1094 ND2 ASN A 57 3.454 -9.475 15.231 1.00 62.42 N ATOM 0 H ASN A 57 5.105 -6.552 14.878 1.00 31.42 H new ATOM 0 HA ASN A 57 3.805 -6.582 12.226 1.00 54.41 H new ATOM 0 HB2 ASN A 57 2.178 -7.447 14.569 1.00 24.20 H new ATOM 0 HB3 ASN A 57 2.037 -7.887 12.879 1.00 24.20 H new ATOM 0 HD21 ASN A 57 3.915 -10.350 15.478 1.00 62.42 H new ATOM 0 HD22 ASN A 57 2.986 -8.924 15.951 1.00 62.42 H new ATOM 1101 N ILE A 58 2.716 -4.399 12.895 1.00 25.12 N ATOM 1102 CA ILE A 58 2.175 -3.094 13.288 1.00 3.13 C ATOM 1103 C ILE A 58 1.015 -2.646 12.392 1.00 64.23 C ATOM 1104 O ILE A 58 0.693 -3.294 11.392 1.00 22.31 O ATOM 1105 CB ILE A 58 3.271 -1.995 13.292 1.00 20.51 C ATOM 1106 CG1 ILE A 58 3.633 -1.562 11.865 1.00 52.23 C ATOM 1107 CG2 ILE A 58 4.513 -2.479 14.028 1.00 75.41 C ATOM 1108 CD1 ILE A 58 4.017 -0.099 11.758 1.00 21.30 C ATOM 0 H ILE A 58 2.730 -4.570 11.890 1.00 25.12 H new ATOM 0 HA ILE A 58 1.796 -3.226 14.301 1.00 3.13 H new ATOM 0 HB ILE A 58 2.868 -1.128 13.816 1.00 20.51 H new ATOM 0 HG12 ILE A 58 4.461 -2.174 11.507 1.00 52.23 H new ATOM 0 HG13 ILE A 58 2.785 -1.756 11.208 1.00 52.23 H new ATOM 0 HG21 ILE A 58 5.270 -1.694 14.020 1.00 75.41 H new ATOM 0 HG22 ILE A 58 4.254 -2.722 15.058 1.00 75.41 H new ATOM 0 HG23 ILE A 58 4.906 -3.367 13.533 1.00 75.41 H new ATOM 0 HD11 ILE A 58 4.261 0.138 10.722 1.00 21.30 H new ATOM 0 HD12 ILE A 58 3.183 0.521 12.086 1.00 21.30 H new ATOM 0 HD13 ILE A 58 4.884 0.097 12.389 1.00 21.30 H new ATOM 1120 N GLU A 59 0.405 -1.521 12.771 1.00 54.42 N ATOM 1121 CA GLU A 59 -0.714 -0.938 12.035 1.00 12.40 C ATOM 1122 C GLU A 59 -0.327 0.442 11.506 1.00 51.03 C ATOM 1123 O GLU A 59 0.175 1.281 12.259 1.00 71.13 O ATOM 1124 CB GLU A 59 -1.938 -0.822 12.948 1.00 32.22 C ATOM 1125 CG GLU A 59 -3.128 -0.131 12.300 1.00 25.31 C ATOM 1126 CD GLU A 59 -4.037 -1.095 11.571 1.00 15.25 C ATOM 1127 OE1 GLU A 59 -3.641 -1.586 10.496 1.00 33.42 O ATOM 1128 OE2 GLU A 59 -5.148 -1.361 12.078 1.00 51.24 O ATOM 0 H GLU A 59 0.675 -0.989 13.599 1.00 54.42 H new ATOM 0 HA GLU A 59 -0.960 -1.586 11.193 1.00 12.40 H new ATOM 0 HB2 GLU A 59 -2.239 -1.821 13.265 1.00 32.22 H new ATOM 0 HB3 GLU A 59 -1.657 -0.274 13.847 1.00 32.22 H new ATOM 0 HG2 GLU A 59 -3.700 0.393 13.066 1.00 25.31 H new ATOM 0 HG3 GLU A 59 -2.768 0.623 11.600 1.00 25.31 H new ATOM 1135 N VAL A 60 -0.556 0.676 10.214 1.00 43.31 N ATOM 1136 CA VAL A 60 -0.224 1.959 9.604 1.00 60.32 C ATOM 1137 C VAL A 60 -1.455 2.601 8.968 1.00 25.40 C ATOM 1138 O VAL A 60 -2.137 1.982 8.148 1.00 41.11 O ATOM 1139 CB VAL A 60 0.889 1.810 8.540 1.00 33.43 C ATOM 1140 CG1 VAL A 60 1.134 3.128 7.814 1.00 11.33 C ATOM 1141 CG2 VAL A 60 2.178 1.310 9.179 1.00 22.33 C ATOM 0 H VAL A 60 -0.968 -0.003 9.574 1.00 43.31 H new ATOM 0 HA VAL A 60 0.142 2.605 10.402 1.00 60.32 H new ATOM 0 HB VAL A 60 0.555 1.075 7.807 1.00 33.43 H new ATOM 0 HG11 VAL A 60 1.921 2.994 7.072 1.00 11.33 H new ATOM 0 HG12 VAL A 60 0.217 3.446 7.317 1.00 11.33 H new ATOM 0 HG13 VAL A 60 1.439 3.888 8.533 1.00 11.33 H new ATOM 0 HG21 VAL A 60 2.949 1.212 8.415 1.00 22.33 H new ATOM 0 HG22 VAL A 60 2.508 2.020 9.937 1.00 22.33 H new ATOM 0 HG23 VAL A 60 2.001 0.340 9.643 1.00 22.33 H new ATOM 1151 N VAL A 61 -1.724 3.850 9.349 1.00 51.31 N ATOM 1152 CA VAL A 61 -2.862 4.594 8.817 1.00 14.14 C ATOM 1153 C VAL A 61 -2.398 5.924 8.224 1.00 23.40 C ATOM 1154 O VAL A 61 -1.692 6.692 8.881 1.00 4.12 O ATOM 1155 CB VAL A 61 -3.940 4.849 9.898 1.00 72.31 C ATOM 1156 CG1 VAL A 61 -3.338 5.503 11.134 1.00 62.11 C ATOM 1157 CG2 VAL A 61 -5.074 5.697 9.338 1.00 63.33 C ATOM 0 H VAL A 61 -1.165 4.368 10.027 1.00 51.31 H new ATOM 0 HA VAL A 61 -3.311 3.984 8.033 1.00 14.14 H new ATOM 0 HB VAL A 61 -4.348 3.883 10.197 1.00 72.31 H new ATOM 0 HG11 VAL A 61 -4.120 5.669 11.875 1.00 62.11 H new ATOM 0 HG12 VAL A 61 -2.572 4.851 11.554 1.00 62.11 H new ATOM 0 HG13 VAL A 61 -2.890 6.458 10.859 1.00 62.11 H new ATOM 0 HG21 VAL A 61 -5.821 5.864 10.114 1.00 63.33 H new ATOM 0 HG22 VAL A 61 -4.679 6.656 9.001 1.00 63.33 H new ATOM 0 HG23 VAL A 61 -5.535 5.179 8.497 1.00 63.33 H new ATOM 1167 N PHE A 62 -2.787 6.181 6.976 1.00 52.13 N ATOM 1168 CA PHE A 62 -2.400 7.408 6.286 1.00 12.54 C ATOM 1169 C PHE A 62 -3.623 8.225 5.853 1.00 3.10 C ATOM 1170 O PHE A 62 -4.764 7.768 5.959 1.00 42.14 O ATOM 1171 CB PHE A 62 -1.541 7.061 5.058 1.00 24.43 C ATOM 1172 CG PHE A 62 -2.294 7.126 3.755 1.00 24.13 C ATOM 1173 CD1 PHE A 62 -3.279 6.196 3.458 1.00 73.34 C ATOM 1174 CD2 PHE A 62 -2.031 8.132 2.842 1.00 32.33 C ATOM 1175 CE1 PHE A 62 -3.985 6.271 2.272 1.00 40.54 C ATOM 1176 CE2 PHE A 62 -2.732 8.208 1.656 1.00 5.22 C ATOM 1177 CZ PHE A 62 -3.710 7.277 1.371 1.00 2.24 C ATOM 0 H PHE A 62 -3.371 5.554 6.422 1.00 52.13 H new ATOM 0 HA PHE A 62 -1.823 8.018 6.981 1.00 12.54 H new ATOM 0 HB2 PHE A 62 -0.694 7.746 5.013 1.00 24.43 H new ATOM 0 HB3 PHE A 62 -1.133 6.058 5.182 1.00 24.43 H new ATOM 0 HD1 PHE A 62 -3.497 5.405 4.161 1.00 73.34 H new ATOM 0 HD2 PHE A 62 -1.269 8.866 3.060 1.00 32.33 H new ATOM 0 HE1 PHE A 62 -4.751 5.542 2.052 1.00 40.54 H new ATOM 0 HE2 PHE A 62 -2.515 8.996 0.950 1.00 5.22 H new ATOM 0 HZ PHE A 62 -4.259 7.337 0.443 1.00 2.24 H new ATOM 1187 N GLU A 63 -3.355 9.423 5.336 1.00 63.42 N ATOM 1188 CA GLU A 63 -4.394 10.321 4.841 1.00 3.42 C ATOM 1189 C GLU A 63 -3.979 10.869 3.477 1.00 41.15 C ATOM 1190 O GLU A 63 -2.858 11.363 3.323 1.00 14.31 O ATOM 1191 CB GLU A 63 -4.620 11.472 5.823 1.00 15.30 C ATOM 1192 CG GLU A 63 -5.965 11.427 6.528 1.00 5.21 C ATOM 1193 CD GLU A 63 -6.321 12.749 7.178 1.00 21.41 C ATOM 1194 OE1 GLU A 63 -5.911 12.970 8.337 1.00 73.55 O ATOM 1195 OE2 GLU A 63 -7.005 13.566 6.528 1.00 23.24 O ATOM 0 H GLU A 63 -2.410 9.798 5.249 1.00 63.42 H new ATOM 0 HA GLU A 63 -5.328 9.767 4.743 1.00 3.42 H new ATOM 0 HB2 GLU A 63 -3.828 11.458 6.572 1.00 15.30 H new ATOM 0 HB3 GLU A 63 -4.534 12.417 5.286 1.00 15.30 H new ATOM 0 HG2 GLU A 63 -6.740 11.158 5.810 1.00 5.21 H new ATOM 0 HG3 GLU A 63 -5.948 10.645 7.287 1.00 5.21 H new ATOM 1202 N LEU A 64 -4.867 10.767 2.486 1.00 41.24 N ATOM 1203 CA LEU A 64 -4.558 11.245 1.137 1.00 25.31 C ATOM 1204 C LEU A 64 -4.172 12.722 1.147 1.00 64.21 C ATOM 1205 O LEU A 64 -5.022 13.597 1.328 1.00 75.33 O ATOM 1206 CB LEU A 64 -5.743 11.032 0.184 1.00 72.43 C ATOM 1207 CG LEU A 64 -5.853 9.643 -0.459 1.00 43.35 C ATOM 1208 CD1 LEU A 64 -7.006 9.611 -1.449 1.00 25.50 C ATOM 1209 CD2 LEU A 64 -4.550 9.267 -1.151 1.00 34.21 C ATOM 0 H LEU A 64 -5.797 10.362 2.590 1.00 41.24 H new ATOM 0 HA LEU A 64 -3.710 10.661 0.780 1.00 25.31 H new ATOM 0 HB2 LEU A 64 -6.664 11.230 0.733 1.00 72.43 H new ATOM 0 HB3 LEU A 64 -5.681 11.774 -0.612 1.00 72.43 H new ATOM 0 HG LEU A 64 -6.046 8.913 0.327 1.00 43.35 H new ATOM 0 HD11 LEU A 64 -7.073 8.620 -1.898 1.00 25.50 H new ATOM 0 HD12 LEU A 64 -7.937 9.838 -0.930 1.00 25.50 H new ATOM 0 HD13 LEU A 64 -6.836 10.352 -2.230 1.00 25.50 H new ATOM 0 HD21 LEU A 64 -4.649 8.279 -1.600 1.00 34.21 H new ATOM 0 HD22 LEU A 64 -4.326 9.998 -1.928 1.00 34.21 H new ATOM 0 HD23 LEU A 64 -3.741 9.254 -0.421 1.00 34.21 H new ATOM 1221 N GLY A 65 -2.885 12.986 0.935 1.00 13.13 N ATOM 1222 CA GLY A 65 -2.388 14.356 0.901 1.00 61.23 C ATOM 1223 C GLY A 65 -1.966 14.895 2.260 1.00 33.40 C ATOM 1224 O GLY A 65 -1.863 16.110 2.433 1.00 31.14 O ATOM 0 H GLY A 65 -2.172 12.272 0.785 1.00 13.13 H new ATOM 0 HA2 GLY A 65 -1.537 14.406 0.221 1.00 61.23 H new ATOM 0 HA3 GLY A 65 -3.163 15.003 0.490 1.00 61.23 H new ATOM 1228 N VAL A 66 -1.719 14.007 3.224 1.00 54.12 N ATOM 1229 CA VAL A 66 -1.305 14.426 4.563 1.00 53.02 C ATOM 1230 C VAL A 66 0.035 13.794 4.943 1.00 43.05 C ATOM 1231 O VAL A 66 0.086 12.649 5.396 1.00 34.55 O ATOM 1232 CB VAL A 66 -2.371 14.057 5.618 1.00 4.02 C ATOM 1233 CG1 VAL A 66 -2.045 14.692 6.962 1.00 63.24 C ATOM 1234 CG2 VAL A 66 -3.754 14.479 5.145 1.00 60.25 C ATOM 0 H VAL A 66 -1.798 12.997 3.103 1.00 54.12 H new ATOM 0 HA VAL A 66 -1.193 15.510 4.544 1.00 53.02 H new ATOM 0 HB VAL A 66 -2.366 12.975 5.746 1.00 4.02 H new ATOM 0 HG11 VAL A 66 -2.810 14.418 7.689 1.00 63.24 H new ATOM 0 HG12 VAL A 66 -1.073 14.337 7.306 1.00 63.24 H new ATOM 0 HG13 VAL A 66 -2.018 15.776 6.855 1.00 63.24 H new ATOM 0 HG21 VAL A 66 -4.494 14.212 5.900 1.00 60.25 H new ATOM 0 HG22 VAL A 66 -3.771 15.557 4.986 1.00 60.25 H new ATOM 0 HG23 VAL A 66 -3.990 13.971 4.210 1.00 60.25 H new ATOM 1244 N THR A 67 1.119 14.547 4.743 1.00 22.33 N ATOM 1245 CA THR A 67 2.466 14.062 5.050 1.00 62.25 C ATOM 1246 C THR A 67 2.696 13.951 6.554 1.00 44.54 C ATOM 1247 O THR A 67 2.406 14.880 7.310 1.00 11.02 O ATOM 1248 CB THR A 67 3.525 14.976 4.420 1.00 75.24 C ATOM 1249 OG1 THR A 67 3.452 14.926 3.006 1.00 3.31 O ATOM 1250 CG2 THR A 67 4.946 14.620 4.812 1.00 44.42 C ATOM 0 H THR A 67 1.090 15.496 4.369 1.00 22.33 H new ATOM 0 HA THR A 67 2.558 13.064 4.623 1.00 62.25 H new ATOM 0 HB THR A 67 3.300 15.973 4.799 1.00 75.24 H new ATOM 0 HG1 THR A 67 3.111 14.051 2.727 1.00 3.31 H new ATOM 0 HG21 THR A 67 5.640 15.308 4.329 1.00 44.42 H new ATOM 0 HG22 THR A 67 5.055 14.695 5.894 1.00 44.42 H new ATOM 0 HG23 THR A 67 5.166 13.601 4.495 1.00 44.42 H new ATOM 1258 N PHE A 68 3.233 12.805 6.974 1.00 31.50 N ATOM 1259 CA PHE A 68 3.523 12.559 8.384 1.00 0.00 C ATOM 1260 C PHE A 68 4.926 11.972 8.548 1.00 75.51 C ATOM 1261 O PHE A 68 5.605 11.676 7.561 1.00 12.33 O ATOM 1262 CB PHE A 68 2.470 11.622 8.996 1.00 52.04 C ATOM 1263 CG PHE A 68 2.713 10.161 8.727 1.00 41.54 C ATOM 1264 CD1 PHE A 68 2.375 9.602 7.506 1.00 12.23 C ATOM 1265 CD2 PHE A 68 3.280 9.349 9.697 1.00 20.41 C ATOM 1266 CE1 PHE A 68 2.597 8.262 7.257 1.00 43.01 C ATOM 1267 CE2 PHE A 68 3.504 8.008 9.454 1.00 5.12 C ATOM 1268 CZ PHE A 68 3.162 7.463 8.231 1.00 44.54 C ATOM 0 H PHE A 68 3.476 12.032 6.355 1.00 31.50 H new ATOM 0 HA PHE A 68 3.485 13.510 8.914 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.441 11.781 10.074 1.00 52.04 H new ATOM 0 HB3 PHE A 68 1.489 11.893 8.607 1.00 52.04 H new ATOM 0 HD1 PHE A 68 1.933 10.221 6.740 1.00 12.23 H new ATOM 0 HD2 PHE A 68 3.550 9.770 10.654 1.00 20.41 H new ATOM 0 HE1 PHE A 68 2.329 7.839 6.300 1.00 43.01 H new ATOM 0 HE2 PHE A 68 3.946 7.386 10.219 1.00 5.12 H new ATOM 0 HZ PHE A 68 3.336 6.415 8.038 1.00 44.54 H new ATOM 1278 N ASN A 69 5.354 11.807 9.796 1.00 43.12 N ATOM 1279 CA ASN A 69 6.673 11.260 10.087 1.00 25.13 C ATOM 1280 C ASN A 69 6.590 9.773 10.431 1.00 33.41 C ATOM 1281 O ASN A 69 5.925 9.387 11.394 1.00 42.23 O ATOM 1282 CB ASN A 69 7.321 12.026 11.244 1.00 45.42 C ATOM 1283 CG ASN A 69 8.726 11.542 11.538 1.00 0.14 C ATOM 1284 OD1 ASN A 69 9.703 12.207 11.200 1.00 45.12 O ATOM 1285 ND2 ASN A 69 8.833 10.375 12.170 1.00 22.53 N ATOM 0 H ASN A 69 4.805 12.045 10.622 1.00 43.12 H new ATOM 0 HA ASN A 69 7.287 11.371 9.193 1.00 25.13 H new ATOM 0 HB2 ASN A 69 7.348 13.089 11.003 1.00 45.42 H new ATOM 0 HB3 ASN A 69 6.707 11.917 12.138 1.00 45.42 H new ATOM 0 HD21 ASN A 69 9.754 9.998 12.393 1.00 22.53 H new ATOM 0 HD22 ASN A 69 7.994 9.858 12.431 1.00 22.53 H new ATOM 1292 N TYR A 70 7.283 8.947 9.648 1.00 24.33 N ATOM 1293 CA TYR A 70 7.299 7.504 9.880 1.00 33.55 C ATOM 1294 C TYR A 70 8.655 7.064 10.430 1.00 23.32 C ATOM 1295 O TYR A 70 9.698 7.555 9.992 1.00 71.21 O ATOM 1296 CB TYR A 70 6.972 6.751 8.583 1.00 55.41 C ATOM 1297 CG TYR A 70 7.007 5.243 8.722 1.00 73.43 C ATOM 1298 CD1 TYR A 70 5.937 4.551 9.276 1.00 51.04 C ATOM 1299 CD2 TYR A 70 8.111 4.512 8.296 1.00 40.22 C ATOM 1300 CE1 TYR A 70 5.966 3.175 9.403 1.00 13.53 C ATOM 1301 CE2 TYR A 70 8.146 3.136 8.418 1.00 25.40 C ATOM 1302 CZ TYR A 70 7.071 2.472 8.973 1.00 2.22 C ATOM 1303 OH TYR A 70 7.101 1.100 9.096 1.00 53.12 O ATOM 0 H TYR A 70 7.839 9.252 8.849 1.00 24.33 H new ATOM 0 HA TYR A 70 6.536 7.264 10.620 1.00 33.55 H new ATOM 0 HB2 TYR A 70 5.982 7.051 8.240 1.00 55.41 H new ATOM 0 HB3 TYR A 70 7.681 7.051 7.812 1.00 55.41 H new ATOM 0 HD1 TYR A 70 5.068 5.097 9.613 1.00 51.04 H new ATOM 0 HD2 TYR A 70 8.955 5.028 7.863 1.00 40.22 H new ATOM 0 HE1 TYR A 70 5.126 2.653 9.837 1.00 13.53 H new ATOM 0 HE2 TYR A 70 9.010 2.583 8.081 1.00 25.40 H new ATOM 0 HH TYR A 70 6.189 0.746 9.036 1.00 53.12 H new ATOM 1313 N ASN A 71 8.632 6.145 11.399 1.00 0.22 N ATOM 1314 CA ASN A 71 9.860 5.651 12.017 1.00 4.24 C ATOM 1315 C ASN A 71 10.281 4.304 11.436 1.00 61.42 C ATOM 1316 O ASN A 71 9.438 3.467 11.108 1.00 34.32 O ATOM 1317 CB ASN A 71 9.681 5.534 13.533 1.00 22.50 C ATOM 1318 CG ASN A 71 10.926 5.946 14.292 1.00 0.31 C ATOM 1319 OD1 ASN A 71 11.589 5.117 14.915 1.00 1.51 O ATOM 1320 ND2 ASN A 71 11.252 7.233 14.245 1.00 31.50 N ATOM 0 H ASN A 71 7.777 5.730 11.770 1.00 0.22 H new ATOM 0 HA ASN A 71 10.650 6.370 11.801 1.00 4.24 H new ATOM 0 HB2 ASN A 71 8.844 6.157 13.847 1.00 22.50 H new ATOM 0 HB3 ASN A 71 9.426 4.505 13.788 1.00 22.50 H new ATOM 0 HD21 ASN A 71 12.080 7.568 14.737 1.00 31.50 H new ATOM 0 HD22 ASN A 71 10.674 7.886 13.716 1.00 31.50 H new ATOM 1327 N LEU A 72 11.595 4.107 11.317 1.00 4.10 N ATOM 1328 CA LEU A 72 12.153 2.868 10.779 1.00 63.14 C ATOM 1329 C LEU A 72 12.472 1.870 11.896 1.00 51.42 C ATOM 1330 O LEU A 72 12.257 2.154 13.077 1.00 45.31 O ATOM 1331 CB LEU A 72 13.422 3.171 9.975 1.00 43.25 C ATOM 1332 CG LEU A 72 13.194 3.528 8.505 1.00 71.12 C ATOM 1333 CD1 LEU A 72 14.516 3.843 7.823 1.00 33.34 C ATOM 1334 CD2 LEU A 72 12.475 2.399 7.780 1.00 72.12 C ATOM 0 H LEU A 72 12.296 4.796 11.589 1.00 4.10 H new ATOM 0 HA LEU A 72 11.406 2.418 10.125 1.00 63.14 H new ATOM 0 HB2 LEU A 72 13.948 3.996 10.455 1.00 43.25 H new ATOM 0 HB3 LEU A 72 14.079 2.303 10.023 1.00 43.25 H new ATOM 0 HG LEU A 72 12.563 4.416 8.463 1.00 71.12 H new ATOM 0 HD11 LEU A 72 14.335 4.095 6.778 1.00 33.34 H new ATOM 0 HD12 LEU A 72 14.991 4.687 8.323 1.00 33.34 H new ATOM 0 HD13 LEU A 72 15.170 2.973 7.879 1.00 33.34 H new ATOM 0 HD21 LEU A 72 12.324 2.675 6.736 1.00 72.12 H new ATOM 0 HD22 LEU A 72 13.077 1.492 7.832 1.00 72.12 H new ATOM 0 HD23 LEU A 72 11.509 2.221 8.252 1.00 72.12 H new ATOM 1346 N ALA A 73 12.993 0.701 11.510 1.00 21.44 N ATOM 1347 CA ALA A 73 13.349 -0.346 12.471 1.00 34.41 C ATOM 1348 C ALA A 73 14.557 0.054 13.332 1.00 52.04 C ATOM 1349 O ALA A 73 14.763 -0.505 14.412 1.00 12.52 O ATOM 1350 CB ALA A 73 13.624 -1.660 11.741 1.00 51.52 C ATOM 0 H ALA A 73 13.178 0.456 10.537 1.00 21.44 H new ATOM 0 HA ALA A 73 12.501 -0.481 13.143 1.00 34.41 H new ATOM 0 HB1 ALA A 73 13.888 -2.431 12.466 1.00 51.52 H new ATOM 0 HB2 ALA A 73 12.732 -1.966 11.194 1.00 51.52 H new ATOM 0 HB3 ALA A 73 14.449 -1.522 11.042 1.00 51.52 H new ATOM 1356 N ASP A 74 15.352 1.017 12.851 1.00 74.13 N ATOM 1357 CA ASP A 74 16.537 1.480 13.580 1.00 25.12 C ATOM 1358 C ASP A 74 16.277 2.790 14.335 1.00 64.22 C ATOM 1359 O ASP A 74 17.079 3.182 15.187 1.00 4.40 O ATOM 1360 CB ASP A 74 17.709 1.675 12.615 1.00 60.12 C ATOM 1361 CG ASP A 74 18.005 0.433 11.798 1.00 61.21 C ATOM 1362 OD1 ASP A 74 18.766 -0.430 12.283 1.00 1.00 O ATOM 1363 OD2 ASP A 74 17.479 0.323 10.671 1.00 5.34 O ATOM 0 H ASP A 74 15.196 1.490 11.961 1.00 74.13 H new ATOM 0 HA ASP A 74 16.782 0.712 14.314 1.00 25.12 H new ATOM 0 HB2 ASP A 74 17.487 2.503 11.942 1.00 60.12 H new ATOM 0 HB3 ASP A 74 18.598 1.954 13.181 1.00 60.12 H new ATOM 1368 N GLY A 75 15.169 3.468 14.016 1.00 41.01 N ATOM 1369 CA GLY A 75 14.850 4.726 14.674 1.00 0.13 C ATOM 1370 C GLY A 75 14.783 5.906 13.712 1.00 72.32 C ATOM 1371 O GLY A 75 14.325 6.984 14.091 1.00 65.34 O ATOM 0 H GLY A 75 14.491 3.167 13.316 1.00 41.01 H new ATOM 0 HA2 GLY A 75 13.893 4.628 15.186 1.00 0.13 H new ATOM 0 HA3 GLY A 75 15.601 4.930 15.437 1.00 0.13 H new ATOM 1375 N THR A 76 15.241 5.706 12.468 1.00 71.52 N ATOM 1376 CA THR A 76 15.231 6.768 11.456 1.00 14.02 C ATOM 1377 C THR A 76 13.820 7.321 11.251 1.00 24.24 C ATOM 1378 O THR A 76 12.832 6.604 11.421 1.00 72.14 O ATOM 1379 CB THR A 76 15.780 6.242 10.123 1.00 43.14 C ATOM 1380 OG1 THR A 76 16.884 5.377 10.342 1.00 2.34 O ATOM 1381 CG2 THR A 76 16.231 7.343 9.178 1.00 5.13 C ATOM 0 H THR A 76 15.622 4.819 12.140 1.00 71.52 H new ATOM 0 HA THR A 76 15.870 7.575 11.814 1.00 14.02 H new ATOM 0 HB THR A 76 14.949 5.711 9.658 1.00 43.14 H new ATOM 0 HG1 THR A 76 17.219 5.050 9.481 1.00 2.34 H new ATOM 0 HG21 THR A 76 16.607 6.900 8.256 1.00 5.13 H new ATOM 0 HG22 THR A 76 15.388 7.994 8.949 1.00 5.13 H new ATOM 0 HG23 THR A 76 17.022 7.926 9.650 1.00 5.13 H new ATOM 1389 N GLU A 77 13.734 8.600 10.885 1.00 21.10 N ATOM 1390 CA GLU A 77 12.445 9.246 10.661 1.00 65.25 C ATOM 1391 C GLU A 77 12.364 9.863 9.268 1.00 53.33 C ATOM 1392 O GLU A 77 13.145 10.753 8.925 1.00 12.43 O ATOM 1393 CB GLU A 77 12.189 10.315 11.730 1.00 4.23 C ATOM 1394 CG GLU A 77 13.345 11.286 11.937 1.00 42.22 C ATOM 1395 CD GLU A 77 12.951 12.491 12.770 1.00 55.32 C ATOM 1396 OE1 GLU A 77 13.053 12.410 14.011 1.00 41.12 O ATOM 1397 OE2 GLU A 77 12.541 13.515 12.181 1.00 73.52 O ATOM 0 H GLU A 77 14.541 9.206 10.738 1.00 21.10 H new ATOM 0 HA GLU A 77 11.673 8.480 10.734 1.00 65.25 H new ATOM 0 HB2 GLU A 77 11.299 10.881 11.455 1.00 4.23 H new ATOM 0 HB3 GLU A 77 11.972 9.820 12.677 1.00 4.23 H new ATOM 0 HG2 GLU A 77 14.169 10.765 12.425 1.00 42.22 H new ATOM 0 HG3 GLU A 77 13.710 11.623 10.967 1.00 42.22 H new ATOM 1404 N LEU A 78 11.408 9.388 8.469 1.00 44.02 N ATOM 1405 CA LEU A 78 11.217 9.900 7.113 1.00 74.41 C ATOM 1406 C LEU A 78 9.860 10.579 6.987 1.00 65.44 C ATOM 1407 O LEU A 78 8.926 10.264 7.729 1.00 53.24 O ATOM 1408 CB LEU A 78 11.310 8.786 6.054 1.00 53.34 C ATOM 1409 CG LEU A 78 12.258 7.615 6.346 1.00 24.10 C ATOM 1410 CD1 LEU A 78 13.467 8.056 7.160 1.00 43.13 C ATOM 1411 CD2 LEU A 78 11.506 6.492 7.042 1.00 53.31 C ATOM 0 H LEU A 78 10.756 8.651 8.737 1.00 44.02 H new ATOM 0 HA LEU A 78 12.018 10.618 6.933 1.00 74.41 H new ATOM 0 HB2 LEU A 78 10.310 8.380 5.902 1.00 53.34 H new ATOM 0 HB3 LEU A 78 11.616 9.241 5.112 1.00 53.34 H new ATOM 0 HG LEU A 78 12.636 7.242 5.394 1.00 24.10 H new ATOM 0 HD11 LEU A 78 14.113 7.198 7.346 1.00 43.13 H new ATOM 0 HD12 LEU A 78 14.021 8.815 6.607 1.00 43.13 H new ATOM 0 HD13 LEU A 78 13.133 8.471 8.111 1.00 43.13 H new ATOM 0 HD21 LEU A 78 12.189 5.667 7.244 1.00 53.31 H new ATOM 0 HD22 LEU A 78 11.092 6.859 7.981 1.00 53.31 H new ATOM 0 HD23 LEU A 78 10.696 6.144 6.400 1.00 53.31 H new ATOM 1423 N ARG A 79 9.751 11.493 6.030 1.00 45.21 N ATOM 1424 CA ARG A 79 8.501 12.196 5.787 1.00 51.34 C ATOM 1425 C ARG A 79 7.936 11.786 4.443 1.00 35.54 C ATOM 1426 O ARG A 79 8.590 11.950 3.411 1.00 14.43 O ATOM 1427 CB ARG A 79 8.706 13.709 5.822 1.00 45.42 C ATOM 1428 CG ARG A 79 8.106 14.364 7.053 1.00 13.20 C ATOM 1429 CD ARG A 79 9.171 15.050 7.899 1.00 13.10 C ATOM 1430 NE ARG A 79 10.327 14.180 8.140 1.00 40.04 N ATOM 1431 CZ ARG A 79 10.995 14.110 9.294 1.00 14.34 C ATOM 1432 NH1 ARG A 79 10.659 14.879 10.327 1.00 31.25 N ATOM 1433 NH2 ARG A 79 12.016 13.269 9.413 1.00 63.35 N ATOM 0 H ARG A 79 10.515 11.763 5.410 1.00 45.21 H new ATOM 0 HA ARG A 79 7.799 11.928 6.576 1.00 51.34 H new ATOM 0 HB2 ARG A 79 9.774 13.926 5.787 1.00 45.42 H new ATOM 0 HB3 ARG A 79 8.261 14.150 4.930 1.00 45.42 H new ATOM 0 HG2 ARG A 79 7.356 15.094 6.748 1.00 13.20 H new ATOM 0 HG3 ARG A 79 7.593 13.612 7.652 1.00 13.20 H new ATOM 0 HD2 ARG A 79 9.501 15.960 7.398 1.00 13.10 H new ATOM 0 HD3 ARG A 79 8.738 15.350 8.853 1.00 13.10 H new ATOM 0 HE ARG A 79 10.643 13.587 7.372 1.00 40.04 H new ATOM 0 HH11 ARG A 79 9.881 15.534 10.244 1.00 31.25 H new ATOM 0 HH12 ARG A 79 11.179 14.814 11.202 1.00 31.25 H new ATOM 0 HH21 ARG A 79 12.286 12.681 8.625 1.00 63.35 H new ATOM 0 HH22 ARG A 79 12.530 13.212 10.292 1.00 63.35 H new ATOM 1447 N GLY A 80 6.725 11.248 4.452 1.00 20.12 N ATOM 1448 CA GLY A 80 6.116 10.827 3.212 1.00 5.12 C ATOM 1449 C GLY A 80 4.668 10.400 3.372 1.00 23.10 C ATOM 1450 O GLY A 80 4.146 10.358 4.490 1.00 3.42 O ATOM 0 H GLY A 80 6.160 11.097 5.288 1.00 20.12 H new ATOM 0 HA2 GLY A 80 6.170 11.644 2.492 1.00 5.12 H new ATOM 0 HA3 GLY A 80 6.689 9.998 2.796 1.00 5.12 H new ATOM 1454 N THR A 81 4.028 10.069 2.244 1.00 23.20 N ATOM 1455 CA THR A 81 2.627 9.623 2.233 1.00 3.01 C ATOM 1456 C THR A 81 2.148 9.339 0.808 1.00 23.23 C ATOM 1457 O THR A 81 2.954 9.275 -0.124 1.00 65.31 O ATOM 1458 CB THR A 81 1.698 10.656 2.892 1.00 44.13 C ATOM 1459 OG1 THR A 81 2.314 11.929 2.976 1.00 5.01 O ATOM 1460 CG2 THR A 81 1.260 10.250 4.283 1.00 53.55 C ATOM 0 H THR A 81 4.460 10.102 1.321 1.00 23.20 H new ATOM 0 HA THR A 81 2.585 8.700 2.812 1.00 3.01 H new ATOM 0 HB THR A 81 0.820 10.705 2.248 1.00 44.13 H new ATOM 0 HG1 THR A 81 1.632 12.628 2.897 1.00 5.01 H new ATOM 0 HG21 THR A 81 0.606 11.018 4.697 1.00 53.55 H new ATOM 0 HG22 THR A 81 0.722 9.303 4.233 1.00 53.55 H new ATOM 0 HG23 THR A 81 2.136 10.136 4.922 1.00 53.55 H new ATOM 1468 N TRP A 82 0.831 9.162 0.649 1.00 2.44 N ATOM 1469 CA TRP A 82 0.243 8.878 -0.656 1.00 71.44 C ATOM 1470 C TRP A 82 -0.752 9.960 -1.079 1.00 1.42 C ATOM 1471 O TRP A 82 -1.410 10.580 -0.241 1.00 12.53 O ATOM 1472 CB TRP A 82 -0.450 7.514 -0.631 1.00 1.30 C ATOM 1473 CG TRP A 82 0.509 6.367 -0.681 1.00 33.42 C ATOM 1474 CD1 TRP A 82 1.276 5.893 0.345 1.00 4.21 C ATOM 1475 CD2 TRP A 82 0.810 5.555 -1.818 1.00 22.31 C ATOM 1476 NE1 TRP A 82 2.036 4.833 -0.088 1.00 0.34 N ATOM 1477 CE2 TRP A 82 1.768 4.609 -1.413 1.00 33.30 C ATOM 1478 CE3 TRP A 82 0.362 5.537 -3.141 1.00 34.10 C ATOM 1479 CZ2 TRP A 82 2.284 3.656 -2.285 1.00 32.11 C ATOM 1480 CZ3 TRP A 82 0.877 4.593 -4.003 1.00 51.42 C ATOM 1481 CH2 TRP A 82 1.831 3.664 -3.572 1.00 21.24 C ATOM 0 H TRP A 82 0.156 9.211 1.412 1.00 2.44 H new ATOM 0 HA TRP A 82 1.051 8.866 -1.387 1.00 71.44 H new ATOM 0 HB2 TRP A 82 -1.053 7.436 0.274 1.00 1.30 H new ATOM 0 HB3 TRP A 82 -1.134 7.445 -1.477 1.00 1.30 H new ATOM 0 HD1 TRP A 82 1.284 6.292 1.348 1.00 4.21 H new ATOM 0 HE1 TRP A 82 2.692 4.300 0.483 1.00 0.34 H new ATOM 0 HE3 TRP A 82 -0.374 6.250 -3.482 1.00 34.10 H new ATOM 0 HZ2 TRP A 82 3.017 2.935 -1.955 1.00 32.11 H new ATOM 0 HZ3 TRP A 82 0.539 4.570 -5.028 1.00 51.42 H new ATOM 0 HH2 TRP A 82 2.217 2.938 -4.273 1.00 21.24 H new ATOM 1492 N SER A 83 -0.854 10.169 -2.391 1.00 0.45 N ATOM 1493 CA SER A 83 -1.763 11.163 -2.962 1.00 45.33 C ATOM 1494 C SER A 83 -2.113 10.798 -4.405 1.00 14.00 C ATOM 1495 O SER A 83 -1.225 10.635 -5.241 1.00 21.33 O ATOM 1496 CB SER A 83 -1.130 12.558 -2.915 1.00 45.54 C ATOM 1497 OG SER A 83 -1.230 13.124 -1.619 1.00 64.21 O ATOM 0 H SER A 83 -0.311 9.656 -3.086 1.00 0.45 H new ATOM 0 HA SER A 83 -2.677 11.172 -2.369 1.00 45.33 H new ATOM 0 HB2 SER A 83 -0.082 12.494 -3.207 1.00 45.54 H new ATOM 0 HB3 SER A 83 -1.623 13.208 -3.638 1.00 45.54 H new ATOM 0 HG SER A 83 -1.339 12.409 -0.957 1.00 64.21 H new ATOM 1503 N LEU A 84 -3.409 10.664 -4.694 1.00 31.40 N ATOM 1504 CA LEU A 84 -3.855 10.312 -6.039 1.00 34.22 C ATOM 1505 C LEU A 84 -3.860 11.533 -6.952 1.00 61.13 C ATOM 1506 O LEU A 84 -4.385 12.590 -6.596 1.00 43.23 O ATOM 1507 CB LEU A 84 -5.251 9.678 -5.992 1.00 23.12 C ATOM 1508 CG LEU A 84 -6.102 9.839 -7.260 1.00 1.51 C ATOM 1509 CD1 LEU A 84 -5.724 8.800 -8.311 1.00 32.23 C ATOM 1510 CD2 LEU A 84 -7.578 9.737 -6.910 1.00 4.53 C ATOM 0 H LEU A 84 -4.162 10.793 -4.018 1.00 31.40 H new ATOM 0 HA LEU A 84 -3.152 9.585 -6.447 1.00 34.22 H new ATOM 0 HB2 LEU A 84 -5.139 8.614 -5.785 1.00 23.12 H new ATOM 0 HB3 LEU A 84 -5.797 10.110 -5.153 1.00 23.12 H new ATOM 0 HG LEU A 84 -5.907 10.824 -7.684 1.00 1.51 H new ATOM 0 HD11 LEU A 84 -6.343 8.938 -9.198 1.00 32.23 H new ATOM 0 HD12 LEU A 84 -4.674 8.919 -8.579 1.00 32.23 H new ATOM 0 HD13 LEU A 84 -5.885 7.800 -7.908 1.00 32.23 H new ATOM 0 HD21 LEU A 84 -8.175 9.852 -7.815 1.00 4.53 H new ATOM 0 HD22 LEU A 84 -7.780 8.763 -6.464 1.00 4.53 H new ATOM 0 HD23 LEU A 84 -7.839 10.522 -6.201 1.00 4.53 H new ATOM 1522 N GLU A 85 -3.287 11.364 -8.139 1.00 64.11 N ATOM 1523 CA GLU A 85 -3.231 12.436 -9.129 1.00 75.32 C ATOM 1524 C GLU A 85 -3.751 11.941 -10.466 1.00 62.42 C ATOM 1525 O GLU A 85 -3.343 10.884 -10.951 1.00 4.22 O ATOM 1526 CB GLU A 85 -1.808 12.965 -9.284 1.00 42.01 C ATOM 1527 CG GLU A 85 -1.288 13.659 -8.038 1.00 31.23 C ATOM 1528 CD GLU A 85 -0.851 15.086 -8.302 1.00 52.24 C ATOM 1529 OE1 GLU A 85 -1.703 15.993 -8.206 1.00 22.42 O ATOM 1530 OE2 GLU A 85 0.342 15.296 -8.606 1.00 72.51 O ATOM 0 H GLU A 85 -2.853 10.492 -8.441 1.00 64.11 H new ATOM 0 HA GLU A 85 -3.862 13.253 -8.780 1.00 75.32 H new ATOM 0 HB2 GLU A 85 -1.145 12.137 -9.534 1.00 42.01 H new ATOM 0 HB3 GLU A 85 -1.776 13.663 -10.121 1.00 42.01 H new ATOM 0 HG2 GLU A 85 -2.066 13.657 -7.275 1.00 31.23 H new ATOM 0 HG3 GLU A 85 -0.447 13.094 -7.637 1.00 31.23 H new ATOM 1537 N GLY A 86 -4.665 12.706 -11.046 1.00 12.52 N ATOM 1538 CA GLY A 86 -5.254 12.335 -12.316 1.00 64.22 C ATOM 1539 C GLY A 86 -5.950 10.998 -12.242 1.00 60.35 C ATOM 1540 O GLY A 86 -7.056 10.882 -11.710 1.00 22.34 O ATOM 0 H GLY A 86 -5.011 13.583 -10.656 1.00 12.52 H new ATOM 0 HA2 GLY A 86 -5.968 13.100 -12.623 1.00 64.22 H new ATOM 0 HA3 GLY A 86 -4.477 12.299 -13.080 1.00 64.22 H new ATOM 1544 N ASN A 87 -5.282 9.997 -12.774 1.00 1.24 N ATOM 1545 CA ASN A 87 -5.795 8.629 -12.786 1.00 21.44 C ATOM 1546 C ASN A 87 -4.774 7.645 -12.203 1.00 4.41 C ATOM 1547 O ASN A 87 -4.784 6.460 -12.544 1.00 23.54 O ATOM 1548 CB ASN A 87 -6.146 8.221 -14.216 1.00 60.33 C ATOM 1549 CG ASN A 87 -7.599 8.488 -14.563 1.00 23.22 C ATOM 1550 OD1 ASN A 87 -8.435 7.584 -14.523 1.00 61.22 O ATOM 1551 ND2 ASN A 87 -7.910 9.734 -14.904 1.00 63.23 N ATOM 0 H ASN A 87 -4.367 10.101 -13.212 1.00 1.24 H new ATOM 0 HA ASN A 87 -6.690 8.598 -12.164 1.00 21.44 H new ATOM 0 HB2 ASN A 87 -5.505 8.763 -14.911 1.00 60.33 H new ATOM 0 HB3 ASN A 87 -5.934 7.160 -14.349 1.00 60.33 H new ATOM 0 HD21 ASN A 87 -8.872 9.972 -15.145 1.00 63.23 H new ATOM 0 HD22 ASN A 87 -7.187 10.453 -14.924 1.00 63.23 H new ATOM 1558 N LYS A 88 -3.889 8.136 -11.333 1.00 64.32 N ATOM 1559 CA LYS A 88 -2.862 7.284 -10.723 1.00 52.43 C ATOM 1560 C LYS A 88 -2.604 7.664 -9.264 1.00 52.45 C ATOM 1561 O LYS A 88 -2.770 8.822 -8.880 1.00 52.42 O ATOM 1562 CB LYS A 88 -1.559 7.381 -11.521 1.00 32.32 C ATOM 1563 CG LYS A 88 -1.336 6.211 -12.464 1.00 55.01 C ATOM 1564 CD LYS A 88 -0.879 4.968 -11.717 1.00 71.31 C ATOM 1565 CE LYS A 88 -0.060 4.052 -12.614 1.00 53.02 C ATOM 1566 NZ LYS A 88 0.222 2.738 -11.970 1.00 72.34 N ATOM 0 H LYS A 88 -3.861 9.111 -11.036 1.00 64.32 H new ATOM 0 HA LYS A 88 -3.230 6.258 -10.742 1.00 52.43 H new ATOM 0 HB2 LYS A 88 -1.564 8.306 -12.098 1.00 32.32 H new ATOM 0 HB3 LYS A 88 -0.721 7.442 -10.827 1.00 32.32 H new ATOM 0 HG2 LYS A 88 -2.260 5.994 -13.001 1.00 55.01 H new ATOM 0 HG3 LYS A 88 -0.590 6.482 -13.211 1.00 55.01 H new ATOM 0 HD2 LYS A 88 -0.284 5.260 -10.852 1.00 71.31 H new ATOM 0 HD3 LYS A 88 -1.748 4.429 -11.339 1.00 71.31 H new ATOM 0 HE2 LYS A 88 -0.595 3.889 -13.549 1.00 53.02 H new ATOM 0 HE3 LYS A 88 0.881 4.540 -12.867 1.00 53.02 H new ATOM 0 HZ1 LYS A 88 1.245 2.552 -11.995 1.00 72.34 H new ATOM 0 HZ2 LYS A 88 -0.102 2.759 -10.982 1.00 72.34 H new ATOM 0 HZ3 LYS A 88 -0.279 1.985 -12.483 1.00 72.34 H new ATOM 1580 N LEU A 89 -2.191 6.683 -8.452 1.00 61.13 N ATOM 1581 CA LEU A 89 -1.910 6.939 -7.041 1.00 43.02 C ATOM 1582 C LEU A 89 -0.419 7.085 -6.786 1.00 44.33 C ATOM 1583 O LEU A 89 0.373 6.185 -7.084 1.00 32.12 O ATOM 1584 CB LEU A 89 -2.498 5.853 -6.145 1.00 42.03 C ATOM 1585 CG LEU A 89 -3.510 6.387 -5.138 1.00 14.45 C ATOM 1586 CD1 LEU A 89 -4.566 5.351 -4.817 1.00 0.51 C ATOM 1587 CD2 LEU A 89 -2.818 6.867 -3.872 1.00 0.44 C ATOM 0 H LEU A 89 -2.046 5.717 -8.746 1.00 61.13 H new ATOM 0 HA LEU A 89 -2.392 7.884 -6.790 1.00 43.02 H new ATOM 0 HB2 LEU A 89 -2.978 5.098 -6.768 1.00 42.03 H new ATOM 0 HB3 LEU A 89 -1.689 5.356 -5.609 1.00 42.03 H new ATOM 0 HG LEU A 89 -4.011 7.241 -5.594 1.00 14.45 H new ATOM 0 HD11 LEU A 89 -5.272 5.763 -4.096 1.00 0.51 H new ATOM 0 HD12 LEU A 89 -5.096 5.077 -5.729 1.00 0.51 H new ATOM 0 HD13 LEU A 89 -4.091 4.466 -4.394 1.00 0.51 H new ATOM 0 HD21 LEU A 89 -3.563 7.243 -3.170 1.00 0.44 H new ATOM 0 HD22 LEU A 89 -2.276 6.038 -3.417 1.00 0.44 H new ATOM 0 HD23 LEU A 89 -2.118 7.665 -4.120 1.00 0.44 H new ATOM 1599 N ILE A 90 -0.059 8.246 -6.245 1.00 20.31 N ATOM 1600 CA ILE A 90 1.326 8.588 -5.947 1.00 1.33 C ATOM 1601 C ILE A 90 1.680 8.356 -4.478 1.00 73.44 C ATOM 1602 O ILE A 90 0.892 8.655 -3.583 1.00 20.44 O ATOM 1603 CB ILE A 90 1.587 10.073 -6.286 1.00 4.10 C ATOM 1604 CG1 ILE A 90 1.174 10.377 -7.732 1.00 51.03 C ATOM 1605 CG2 ILE A 90 3.051 10.432 -6.063 1.00 1.00 C ATOM 1606 CD1 ILE A 90 1.649 9.344 -8.736 1.00 22.33 C ATOM 0 H ILE A 90 -0.725 8.979 -6.000 1.00 20.31 H new ATOM 0 HA ILE A 90 1.951 7.935 -6.557 1.00 1.33 H new ATOM 0 HB ILE A 90 0.981 10.684 -5.617 1.00 4.10 H new ATOM 0 HG12 ILE A 90 0.087 10.446 -7.782 1.00 51.03 H new ATOM 0 HG13 ILE A 90 1.569 11.353 -8.015 1.00 51.03 H new ATOM 0 HG21 ILE A 90 3.210 11.482 -6.308 1.00 1.00 H new ATOM 0 HG22 ILE A 90 3.313 10.260 -5.019 1.00 1.00 H new ATOM 0 HG23 ILE A 90 3.679 9.811 -6.702 1.00 1.00 H new ATOM 0 HD11 ILE A 90 1.318 9.628 -9.735 1.00 22.33 H new ATOM 0 HD12 ILE A 90 2.738 9.291 -8.716 1.00 22.33 H new ATOM 0 HD13 ILE A 90 1.233 8.370 -8.480 1.00 22.33 H new ATOM 1618 N GLY A 91 2.890 7.846 -4.249 1.00 11.44 N ATOM 1619 CA GLY A 91 3.375 7.607 -2.902 1.00 34.30 C ATOM 1620 C GLY A 91 4.850 7.941 -2.806 1.00 1.33 C ATOM 1621 O GLY A 91 5.644 7.447 -3.607 1.00 53.25 O ATOM 0 H GLY A 91 3.549 7.592 -4.985 1.00 11.44 H new ATOM 0 HA2 GLY A 91 2.811 8.213 -2.193 1.00 34.30 H new ATOM 0 HA3 GLY A 91 3.213 6.564 -2.630 1.00 34.30 H new ATOM 1625 N LYS A 92 5.227 8.803 -1.864 1.00 23.42 N ATOM 1626 CA LYS A 92 6.631 9.197 -1.740 1.00 62.21 C ATOM 1627 C LYS A 92 7.070 9.420 -0.295 1.00 60.24 C ATOM 1628 O LYS A 92 6.376 10.067 0.490 1.00 45.22 O ATOM 1629 CB LYS A 92 6.890 10.466 -2.554 1.00 51.24 C ATOM 1630 CG LYS A 92 7.597 10.204 -3.873 1.00 23.40 C ATOM 1631 CD LYS A 92 7.667 11.457 -4.731 1.00 20.43 C ATOM 1632 CE LYS A 92 8.552 11.246 -5.951 1.00 73.31 C ATOM 1633 NZ LYS A 92 9.517 12.365 -6.147 1.00 21.42 N ATOM 0 H LYS A 92 4.597 9.235 -1.188 1.00 23.42 H new ATOM 0 HA LYS A 92 7.222 8.367 -2.127 1.00 62.21 H new ATOM 0 HB2 LYS A 92 5.940 10.962 -2.752 1.00 51.24 H new ATOM 0 HB3 LYS A 92 7.491 11.154 -1.959 1.00 51.24 H new ATOM 0 HG2 LYS A 92 8.605 9.839 -3.679 1.00 23.40 H new ATOM 0 HG3 LYS A 92 7.073 9.419 -4.417 1.00 23.40 H new ATOM 0 HD2 LYS A 92 6.663 11.737 -5.052 1.00 20.43 H new ATOM 0 HD3 LYS A 92 8.054 12.285 -4.137 1.00 20.43 H new ATOM 0 HE2 LYS A 92 9.100 10.310 -5.842 1.00 73.31 H new ATOM 0 HE3 LYS A 92 7.927 11.148 -6.839 1.00 73.31 H new ATOM 0 HZ1 LYS A 92 10.405 11.993 -6.541 1.00 21.42 H new ATOM 0 HZ2 LYS A 92 9.112 13.062 -6.804 1.00 21.42 H new ATOM 0 HZ3 LYS A 92 9.709 12.822 -5.233 1.00 21.42 H new ATOM 1647 N PHE A 93 8.262 8.906 0.019 1.00 55.42 N ATOM 1648 CA PHE A 93 8.874 9.057 1.341 1.00 52.52 C ATOM 1649 C PHE A 93 10.363 9.348 1.160 1.00 0.02 C ATOM 1650 O PHE A 93 10.985 8.818 0.237 1.00 21.33 O ATOM 1651 CB PHE A 93 8.700 7.793 2.196 1.00 22.45 C ATOM 1652 CG PHE A 93 7.272 7.473 2.538 1.00 11.02 C ATOM 1653 CD1 PHE A 93 6.431 6.893 1.602 1.00 61.11 C ATOM 1654 CD2 PHE A 93 6.775 7.748 3.801 1.00 4.00 C ATOM 1655 CE1 PHE A 93 5.119 6.595 1.920 1.00 3.31 C ATOM 1656 CE2 PHE A 93 5.464 7.452 4.124 1.00 14.40 C ATOM 1657 CZ PHE A 93 4.636 6.874 3.182 1.00 43.22 C ATOM 0 H PHE A 93 8.831 8.372 -0.638 1.00 55.42 H new ATOM 0 HA PHE A 93 8.379 9.878 1.859 1.00 52.52 H new ATOM 0 HB2 PHE A 93 9.133 6.946 1.664 1.00 22.45 H new ATOM 0 HB3 PHE A 93 9.265 7.912 3.120 1.00 22.45 H new ATOM 0 HD1 PHE A 93 6.804 6.671 0.613 1.00 61.11 H new ATOM 0 HD2 PHE A 93 7.419 8.199 4.542 1.00 4.00 H new ATOM 0 HE1 PHE A 93 4.473 6.144 1.181 1.00 3.31 H new ATOM 0 HE2 PHE A 93 5.088 7.673 5.112 1.00 14.40 H new ATOM 0 HZ PHE A 93 3.612 6.641 3.433 1.00 43.22 H new ATOM 1667 N LYS A 94 10.937 10.197 2.013 1.00 20.41 N ATOM 1668 CA LYS A 94 12.364 10.537 1.877 1.00 73.43 C ATOM 1669 C LYS A 94 13.134 10.445 3.192 1.00 0.35 C ATOM 1670 O LYS A 94 12.681 10.943 4.226 1.00 11.12 O ATOM 1671 CB LYS A 94 12.532 11.945 1.303 1.00 3.53 C ATOM 1672 CG LYS A 94 11.730 12.189 0.034 1.00 3.51 C ATOM 1673 CD LYS A 94 11.532 13.674 -0.230 1.00 21.40 C ATOM 1674 CE LYS A 94 10.057 14.051 -0.236 1.00 74.22 C ATOM 1675 NZ LYS A 94 9.324 13.433 -1.378 1.00 44.32 N ATOM 0 H LYS A 94 10.456 10.654 2.788 1.00 20.41 H new ATOM 0 HA LYS A 94 12.781 9.796 1.196 1.00 73.43 H new ATOM 0 HB2 LYS A 94 12.232 12.673 2.057 1.00 3.53 H new ATOM 0 HB3 LYS A 94 13.588 12.119 1.094 1.00 3.53 H new ATOM 0 HG2 LYS A 94 12.243 11.734 -0.814 1.00 3.51 H new ATOM 0 HG3 LYS A 94 10.759 11.702 0.118 1.00 3.51 H new ATOM 0 HD2 LYS A 94 12.053 14.252 0.533 1.00 21.40 H new ATOM 0 HD3 LYS A 94 11.979 13.936 -1.189 1.00 21.40 H new ATOM 0 HE2 LYS A 94 9.599 13.735 0.701 1.00 74.22 H new ATOM 0 HE3 LYS A 94 9.961 15.135 -0.289 1.00 74.22 H new ATOM 0 HZ1 LYS A 94 8.315 13.675 -1.314 1.00 44.32 H new ATOM 0 HZ2 LYS A 94 9.710 13.793 -2.274 1.00 44.32 H new ATOM 0 HZ3 LYS A 94 9.435 12.400 -1.343 1.00 44.32 H new ATOM 1689 N ARG A 95 14.325 9.832 3.126 1.00 20.31 N ATOM 1690 CA ARG A 95 15.194 9.702 4.296 1.00 34.34 C ATOM 1691 C ARG A 95 15.620 11.082 4.794 1.00 4.43 C ATOM 1692 O ARG A 95 15.952 11.959 3.994 1.00 43.14 O ATOM 1693 CB ARG A 95 16.439 8.886 3.942 1.00 61.13 C ATOM 1694 CG ARG A 95 16.160 7.412 3.711 1.00 63.13 C ATOM 1695 CD ARG A 95 17.170 6.791 2.760 1.00 21.50 C ATOM 1696 NE ARG A 95 17.830 5.624 3.341 1.00 13.12 N ATOM 1697 CZ ARG A 95 18.980 5.673 4.020 1.00 2.33 C ATOM 1698 NH1 ARG A 95 19.601 6.835 4.220 1.00 45.44 N ATOM 1699 NH2 ARG A 95 19.508 4.555 4.506 1.00 1.10 N ATOM 0 H ARG A 95 14.705 9.420 2.274 1.00 20.31 H new ATOM 0 HA ARG A 95 14.638 9.191 5.082 1.00 34.34 H new ATOM 0 HB2 ARG A 95 16.894 9.305 3.044 1.00 61.13 H new ATOM 0 HB3 ARG A 95 17.169 8.987 4.746 1.00 61.13 H new ATOM 0 HG2 ARG A 95 16.185 6.883 4.664 1.00 63.13 H new ATOM 0 HG3 ARG A 95 15.156 7.291 3.305 1.00 63.13 H new ATOM 0 HD2 ARG A 95 16.667 6.500 1.838 1.00 21.50 H new ATOM 0 HD3 ARG A 95 17.920 7.535 2.493 1.00 21.50 H new ATOM 0 HE ARG A 95 17.385 4.714 3.221 1.00 13.12 H new ATOM 0 HH11 ARG A 95 19.199 7.698 3.854 1.00 45.44 H new ATOM 0 HH12 ARG A 95 20.478 6.862 4.740 1.00 45.44 H new ATOM 0 HH21 ARG A 95 19.036 3.663 4.360 1.00 1.10 H new ATOM 0 HH22 ARG A 95 20.386 4.589 5.025 1.00 1.10 H new ATOM 1713 N THR A 96 15.618 11.269 6.112 1.00 12.42 N ATOM 1714 CA THR A 96 16.014 12.549 6.702 1.00 71.44 C ATOM 1715 C THR A 96 17.543 12.682 6.800 1.00 43.04 C ATOM 1716 O THR A 96 18.052 13.744 7.162 1.00 55.51 O ATOM 1717 CB THR A 96 15.368 12.721 8.083 1.00 14.53 C ATOM 1718 OG1 THR A 96 15.294 14.092 8.436 1.00 23.42 O ATOM 1719 CG2 THR A 96 16.101 11.995 9.196 1.00 13.31 C ATOM 0 H THR A 96 15.348 10.556 6.790 1.00 12.42 H new ATOM 0 HA THR A 96 15.659 13.342 6.044 1.00 71.44 H new ATOM 0 HB THR A 96 14.375 12.282 7.987 1.00 14.53 H new ATOM 0 HG1 THR A 96 16.121 14.544 8.168 1.00 23.42 H new ATOM 0 HG21 THR A 96 15.585 12.163 10.141 1.00 13.31 H new ATOM 0 HG22 THR A 96 16.124 10.927 8.980 1.00 13.31 H new ATOM 0 HG23 THR A 96 17.121 12.373 9.267 1.00 13.31 H new ATOM 1727 N ASP A 97 18.270 11.606 6.476 1.00 52.55 N ATOM 1728 CA ASP A 97 19.731 11.620 6.532 1.00 20.54 C ATOM 1729 C ASP A 97 20.318 12.435 5.384 1.00 75.24 C ATOM 1730 O ASP A 97 20.859 13.519 5.599 1.00 61.44 O ATOM 1731 CB ASP A 97 20.288 10.193 6.484 1.00 0.20 C ATOM 1732 CG ASP A 97 19.776 9.325 7.615 1.00 24.51 C ATOM 1733 OD1 ASP A 97 18.627 8.844 7.522 1.00 61.23 O ATOM 1734 OD2 ASP A 97 20.526 9.120 8.591 1.00 60.22 O ATOM 0 H ASP A 97 17.869 10.718 6.173 1.00 52.55 H new ATOM 0 HA ASP A 97 20.019 12.086 7.475 1.00 20.54 H new ATOM 0 HB2 ASP A 97 20.021 9.735 5.531 1.00 0.20 H new ATOM 0 HB3 ASP A 97 21.377 10.231 6.525 1.00 0.20 H new ATOM 1739 N ASN A 98 20.215 11.902 4.165 1.00 54.01 N ATOM 1740 CA ASN A 98 20.748 12.580 2.983 1.00 64.15 C ATOM 1741 C ASN A 98 19.635 13.055 2.043 1.00 33.43 C ATOM 1742 O ASN A 98 19.902 13.815 1.110 1.00 60.31 O ATOM 1743 CB ASN A 98 21.716 11.664 2.216 1.00 55.15 C ATOM 1744 CG ASN A 98 22.091 10.406 2.983 1.00 41.12 C ATOM 1745 OD1 ASN A 98 22.990 10.422 3.824 1.00 42.33 O ATOM 1746 ND2 ASN A 98 21.398 9.308 2.696 1.00 12.13 N ATOM 0 H ASN A 98 19.769 11.006 3.971 1.00 54.01 H new ATOM 0 HA ASN A 98 21.288 13.457 3.339 1.00 64.15 H new ATOM 0 HB2 ASN A 98 21.261 11.380 1.267 1.00 55.15 H new ATOM 0 HB3 ASN A 98 22.623 12.221 1.981 1.00 55.15 H new ATOM 0 HD21 ASN A 98 21.603 8.434 3.180 1.00 12.13 H new ATOM 0 HD22 ASN A 98 20.661 9.340 1.992 1.00 12.13 H new ATOM 1753 N GLY A 99 18.392 12.611 2.278 1.00 14.42 N ATOM 1754 CA GLY A 99 17.294 13.020 1.426 1.00 60.44 C ATOM 1755 C GLY A 99 17.034 12.042 0.296 1.00 33.13 C ATOM 1756 O GLY A 99 16.687 12.459 -0.811 1.00 20.23 O ATOM 0 H GLY A 99 18.136 11.981 3.038 1.00 14.42 H new ATOM 0 HA2 GLY A 99 16.391 13.122 2.028 1.00 60.44 H new ATOM 0 HA3 GLY A 99 17.511 14.003 1.008 1.00 60.44 H new ATOM 1760 N ASN A 100 17.199 10.741 0.559 1.00 74.43 N ATOM 1761 CA ASN A 100 16.970 9.734 -0.473 1.00 44.31 C ATOM 1762 C ASN A 100 15.495 9.690 -0.836 1.00 43.34 C ATOM 1763 O ASN A 100 14.655 9.292 -0.026 1.00 1.23 O ATOM 1764 CB ASN A 100 17.438 8.356 -0.020 1.00 32.25 C ATOM 1765 CG ASN A 100 18.877 8.368 0.448 1.00 2.45 C ATOM 1766 OD1 ASN A 100 19.194 8.951 1.482 1.00 53.33 O ATOM 1767 ND2 ASN A 100 19.758 7.734 -0.317 1.00 24.11 N ATOM 0 H ASN A 100 17.486 10.368 1.464 1.00 74.43 H new ATOM 0 HA ASN A 100 17.552 10.013 -1.351 1.00 44.31 H new ATOM 0 HB2 ASN A 100 16.797 8.004 0.789 1.00 32.25 H new ATOM 0 HB3 ASN A 100 17.331 7.649 -0.843 1.00 32.25 H new ATOM 0 HD21 ASN A 100 20.743 7.718 -0.054 1.00 24.11 H new ATOM 0 HD22 ASN A 100 19.449 7.263 -1.168 1.00 24.11 H new ATOM 1774 N GLU A 101 15.188 10.124 -2.050 1.00 22.52 N ATOM 1775 CA GLU A 101 13.816 10.167 -2.529 1.00 32.12 C ATOM 1776 C GLU A 101 13.357 8.822 -3.067 1.00 22.24 C ATOM 1777 O GLU A 101 13.793 8.385 -4.136 1.00 42.32 O ATOM 1778 CB GLU A 101 13.663 11.232 -3.619 1.00 2.45 C ATOM 1779 CG GLU A 101 12.860 12.439 -3.173 1.00 1.02 C ATOM 1780 CD GLU A 101 11.364 12.282 -3.390 1.00 13.44 C ATOM 1781 OE1 GLU A 101 10.817 11.201 -3.074 1.00 74.23 O ATOM 1782 OE2 GLU A 101 10.733 13.251 -3.863 1.00 64.13 O ATOM 0 H GLU A 101 15.878 10.454 -2.725 1.00 22.52 H new ATOM 0 HA GLU A 101 13.188 10.421 -1.675 1.00 32.12 H new ATOM 0 HB2 GLU A 101 14.652 11.560 -3.937 1.00 2.45 H new ATOM 0 HB3 GLU A 101 13.181 10.785 -4.488 1.00 2.45 H new ATOM 0 HG2 GLU A 101 13.049 12.621 -2.115 1.00 1.02 H new ATOM 0 HG3 GLU A 101 13.208 13.318 -3.715 1.00 1.02 H new ATOM 1789 N LEU A 102 12.435 8.192 -2.344 1.00 41.21 N ATOM 1790 CA LEU A 102 11.870 6.925 -2.778 1.00 2.00 C ATOM 1791 C LEU A 102 10.486 7.175 -3.323 1.00 35.24 C ATOM 1792 O LEU A 102 9.745 8.010 -2.796 1.00 65.52 O ATOM 1793 CB LEU A 102 11.785 5.904 -1.650 1.00 20.22 C ATOM 1794 CG LEU A 102 11.356 4.502 -2.100 1.00 63.55 C ATOM 1795 CD1 LEU A 102 12.561 3.676 -2.520 1.00 24.43 C ATOM 1796 CD2 LEU A 102 10.578 3.801 -1.002 1.00 61.14 C ATOM 0 H LEU A 102 12.067 8.539 -1.459 1.00 41.21 H new ATOM 0 HA LEU A 102 12.529 6.511 -3.541 1.00 2.00 H new ATOM 0 HB2 LEU A 102 12.758 5.835 -1.164 1.00 20.22 H new ATOM 0 HB3 LEU A 102 11.079 6.265 -0.901 1.00 20.22 H new ATOM 0 HG LEU A 102 10.702 4.609 -2.966 1.00 63.55 H new ATOM 0 HD11 LEU A 102 12.232 2.686 -2.835 1.00 24.43 H new ATOM 0 HD12 LEU A 102 13.070 4.170 -3.348 1.00 24.43 H new ATOM 0 HD13 LEU A 102 13.247 3.579 -1.679 1.00 24.43 H new ATOM 0 HD21 LEU A 102 10.283 2.808 -1.342 1.00 61.14 H new ATOM 0 HD22 LEU A 102 11.204 3.710 -0.114 1.00 61.14 H new ATOM 0 HD23 LEU A 102 9.687 4.381 -0.760 1.00 61.14 H new ATOM 1808 N ASN A 103 10.142 6.470 -4.384 1.00 22.34 N ATOM 1809 CA ASN A 103 8.844 6.652 -4.998 1.00 0.05 C ATOM 1810 C ASN A 103 8.080 5.338 -5.049 1.00 32.40 C ATOM 1811 O ASN A 103 8.673 4.274 -5.212 1.00 33.12 O ATOM 1812 CB ASN A 103 8.985 7.263 -6.402 1.00 52.15 C ATOM 1813 CG ASN A 103 10.411 7.702 -6.722 1.00 74.21 C ATOM 1814 OD1 ASN A 103 11.009 7.235 -7.692 1.00 52.44 O ATOM 1815 ND2 ASN A 103 10.965 8.605 -5.908 1.00 22.52 N ATOM 0 H ASN A 103 10.737 5.774 -4.833 1.00 22.34 H new ATOM 0 HA ASN A 103 8.273 7.348 -4.384 1.00 0.05 H new ATOM 0 HB2 ASN A 103 8.661 6.533 -7.144 1.00 52.15 H new ATOM 0 HB3 ASN A 103 8.319 8.122 -6.487 1.00 52.15 H new ATOM 0 HD21 ASN A 103 11.916 8.931 -6.080 1.00 22.52 H new ATOM 0 HD22 ASN A 103 10.437 8.968 -5.115 1.00 22.52 H new ATOM 1822 N THR A 104 6.762 5.417 -4.883 1.00 21.42 N ATOM 1823 CA THR A 104 5.925 4.223 -4.888 1.00 25.23 C ATOM 1824 C THR A 104 4.567 4.475 -5.544 1.00 51.23 C ATOM 1825 O THR A 104 3.975 5.543 -5.388 1.00 61.42 O ATOM 1826 CB THR A 104 5.736 3.720 -3.453 1.00 42.52 C ATOM 1827 OG1 THR A 104 4.937 2.550 -3.420 1.00 23.22 O ATOM 1828 CG2 THR A 104 5.096 4.735 -2.532 1.00 24.22 C ATOM 0 H THR A 104 6.254 6.291 -4.744 1.00 21.42 H new ATOM 0 HA THR A 104 6.433 3.462 -5.481 1.00 25.23 H new ATOM 0 HB THR A 104 6.746 3.517 -3.097 1.00 42.52 H new ATOM 0 HG1 THR A 104 3.990 2.801 -3.412 1.00 23.22 H new ATOM 0 HG21 THR A 104 4.995 4.308 -1.534 1.00 24.22 H new ATOM 0 HG22 THR A 104 5.721 5.627 -2.483 1.00 24.22 H new ATOM 0 HG23 THR A 104 4.111 5.003 -2.914 1.00 24.22 H new ATOM 1836 N VAL A 105 4.083 3.469 -6.270 1.00 20.15 N ATOM 1837 CA VAL A 105 2.784 3.548 -6.952 1.00 20.20 C ATOM 1838 C VAL A 105 1.879 2.382 -6.532 1.00 42.35 C ATOM 1839 O VAL A 105 2.360 1.266 -6.320 1.00 42.25 O ATOM 1840 CB VAL A 105 2.939 3.536 -8.491 1.00 0.21 C ATOM 1841 CG1 VAL A 105 1.781 4.269 -9.153 1.00 73.52 C ATOM 1842 CG2 VAL A 105 4.270 4.146 -8.912 1.00 34.11 C ATOM 0 H VAL A 105 4.571 2.583 -6.404 1.00 20.15 H new ATOM 0 HA VAL A 105 2.330 4.494 -6.656 1.00 20.20 H new ATOM 0 HB VAL A 105 2.924 2.498 -8.822 1.00 0.21 H new ATOM 0 HG11 VAL A 105 1.909 4.249 -10.235 1.00 73.52 H new ATOM 0 HG12 VAL A 105 0.843 3.780 -8.889 1.00 73.52 H new ATOM 0 HG13 VAL A 105 1.761 5.303 -8.809 1.00 73.52 H new ATOM 0 HG21 VAL A 105 4.353 4.125 -9.999 1.00 34.11 H new ATOM 0 HG22 VAL A 105 4.324 5.178 -8.564 1.00 34.11 H new ATOM 0 HG23 VAL A 105 5.087 3.573 -8.475 1.00 34.11 H new ATOM 1852 N ARG A 106 0.569 2.640 -6.403 1.00 13.20 N ATOM 1853 CA ARG A 106 -0.379 1.591 -5.998 1.00 34.51 C ATOM 1854 C ARG A 106 -1.329 1.234 -7.138 1.00 60.22 C ATOM 1855 O ARG A 106 -2.025 2.108 -7.657 1.00 12.12 O ATOM 1856 CB ARG A 106 -1.203 2.053 -4.792 1.00 32.31 C ATOM 1857 CG ARG A 106 -0.664 1.579 -3.453 1.00 51.51 C ATOM 1858 CD ARG A 106 -1.784 1.402 -2.440 1.00 54.04 C ATOM 1859 NE ARG A 106 -1.971 2.586 -1.600 1.00 40.21 N ATOM 1860 CZ ARG A 106 -1.212 2.887 -0.541 1.00 73.12 C ATOM 1861 NH1 ARG A 106 -0.173 2.124 -0.209 1.00 4.01 N ATOM 1862 NH2 ARG A 106 -1.493 3.962 0.188 1.00 12.20 N ATOM 0 H ARG A 106 0.146 3.553 -6.571 1.00 13.20 H new ATOM 0 HA ARG A 106 0.204 0.709 -5.732 1.00 34.51 H new ATOM 0 HB2 ARG A 106 -1.244 3.142 -4.790 1.00 32.31 H new ATOM 0 HB3 ARG A 106 -2.226 1.696 -4.907 1.00 32.31 H new ATOM 0 HG2 ARG A 106 -0.137 0.634 -3.584 1.00 51.51 H new ATOM 0 HG3 ARG A 106 0.061 2.299 -3.075 1.00 51.51 H new ATOM 0 HD2 ARG A 106 -2.714 1.182 -2.965 1.00 54.04 H new ATOM 0 HD3 ARG A 106 -1.565 0.542 -1.807 1.00 54.04 H new ATOM 0 HE ARG A 106 -2.731 3.224 -1.838 1.00 40.21 H new ATOM 0 HH11 ARG A 106 0.052 1.299 -0.765 1.00 4.01 H new ATOM 0 HH12 ARG A 106 0.398 2.365 0.601 1.00 4.01 H new ATOM 0 HH21 ARG A 106 -2.285 4.554 -0.061 1.00 12.20 H new ATOM 0 HH22 ARG A 106 -0.916 4.195 0.997 1.00 12.20 H new ATOM 1876 N GLU A 107 -1.369 -0.046 -7.529 1.00 44.54 N ATOM 1877 CA GLU A 107 -2.259 -0.473 -8.609 1.00 24.13 C ATOM 1878 C GLU A 107 -2.706 -1.922 -8.422 1.00 22.43 C ATOM 1879 O GLU A 107 -2.073 -2.689 -7.697 1.00 22.14 O ATOM 1880 CB GLU A 107 -1.551 -0.317 -9.961 1.00 31.42 C ATOM 1881 CG GLU A 107 -2.483 -0.387 -11.162 1.00 32.33 C ATOM 1882 CD GLU A 107 -1.736 -0.446 -12.480 1.00 55.31 C ATOM 1883 OE1 GLU A 107 -1.324 0.624 -12.976 1.00 4.10 O ATOM 1884 OE2 GLU A 107 -1.564 -1.561 -13.017 1.00 42.53 O ATOM 0 H GLU A 107 -0.805 -0.791 -7.120 1.00 44.54 H new ATOM 0 HA GLU A 107 -3.146 0.160 -8.585 1.00 24.13 H new ATOM 0 HB2 GLU A 107 -1.027 0.639 -9.976 1.00 31.42 H new ATOM 0 HB3 GLU A 107 -0.795 -1.097 -10.055 1.00 31.42 H new ATOM 0 HG2 GLU A 107 -3.121 -1.266 -11.071 1.00 32.33 H new ATOM 0 HG3 GLU A 107 -3.138 0.484 -11.159 1.00 32.33 H new ATOM 1891 N ILE A 108 -3.788 -2.298 -9.100 1.00 13.10 N ATOM 1892 CA ILE A 108 -4.290 -3.662 -9.035 1.00 44.22 C ATOM 1893 C ILE A 108 -4.342 -4.267 -10.436 1.00 5.23 C ATOM 1894 O ILE A 108 -4.848 -3.644 -11.373 1.00 41.25 O ATOM 1895 CB ILE A 108 -5.687 -3.770 -8.374 1.00 35.41 C ATOM 1896 CG1 ILE A 108 -5.956 -5.236 -8.027 1.00 34.13 C ATOM 1897 CG2 ILE A 108 -6.774 -3.216 -9.288 1.00 11.13 C ATOM 1898 CD1 ILE A 108 -6.822 -5.429 -6.810 1.00 52.04 C ATOM 0 H ILE A 108 -4.331 -1.676 -9.699 1.00 13.10 H new ATOM 0 HA ILE A 108 -3.595 -4.217 -8.405 1.00 44.22 H new ATOM 0 HB ILE A 108 -5.702 -3.172 -7.463 1.00 35.41 H new ATOM 0 HG12 ILE A 108 -6.433 -5.719 -8.880 1.00 34.13 H new ATOM 0 HG13 ILE A 108 -5.004 -5.741 -7.866 1.00 34.13 H new ATOM 0 HG21 ILE A 108 -7.743 -3.306 -8.797 1.00 11.13 H new ATOM 0 HG22 ILE A 108 -6.571 -2.166 -9.501 1.00 11.13 H new ATOM 0 HG23 ILE A 108 -6.787 -3.779 -10.221 1.00 11.13 H new ATOM 0 HD11 ILE A 108 -6.966 -6.495 -6.631 1.00 52.04 H new ATOM 0 HD12 ILE A 108 -6.338 -4.977 -5.944 1.00 52.04 H new ATOM 0 HD13 ILE A 108 -7.790 -4.955 -6.973 1.00 52.04 H new ATOM 1910 N ILE A 109 -3.813 -5.478 -10.570 1.00 5.03 N ATOM 1911 CA ILE A 109 -3.795 -6.175 -11.850 1.00 60.42 C ATOM 1912 C ILE A 109 -4.611 -7.451 -11.771 1.00 52.15 C ATOM 1913 O ILE A 109 -4.544 -8.170 -10.777 1.00 62.33 O ATOM 1914 CB ILE A 109 -2.366 -6.519 -12.298 1.00 4.41 C ATOM 1915 CG1 ILE A 109 -1.621 -7.278 -11.193 1.00 44.01 C ATOM 1916 CG2 ILE A 109 -1.625 -5.252 -12.700 1.00 51.21 C ATOM 1917 CD1 ILE A 109 -0.114 -7.167 -11.280 1.00 20.33 C ATOM 0 H ILE A 109 -3.389 -6.000 -9.803 1.00 5.03 H new ATOM 0 HA ILE A 109 -4.232 -5.499 -12.585 1.00 60.42 H new ATOM 0 HB ILE A 109 -2.416 -7.173 -13.169 1.00 4.41 H new ATOM 0 HG12 ILE A 109 -1.948 -6.901 -10.224 1.00 44.01 H new ATOM 0 HG13 ILE A 109 -1.901 -8.331 -11.237 1.00 44.01 H new ATOM 0 HG21 ILE A 109 -0.613 -5.507 -13.016 1.00 51.21 H new ATOM 0 HG22 ILE A 109 -2.151 -4.768 -13.523 1.00 51.21 H new ATOM 0 HG23 ILE A 109 -1.579 -4.572 -11.849 1.00 51.21 H new ATOM 0 HD11 ILE A 109 0.340 -7.730 -10.465 1.00 20.33 H new ATOM 0 HD12 ILE A 109 0.226 -7.571 -12.234 1.00 20.33 H new ATOM 0 HD13 ILE A 109 0.179 -6.120 -11.205 1.00 20.33 H new ATOM 1929 N GLY A 110 -5.379 -7.726 -12.821 1.00 40.35 N ATOM 1930 CA GLY A 110 -6.205 -8.924 -12.841 1.00 2.25 C ATOM 1931 C GLY A 110 -7.024 -9.065 -11.581 1.00 53.53 C ATOM 1932 O GLY A 110 -8.014 -8.358 -11.387 1.00 42.33 O ATOM 0 H GLY A 110 -5.445 -7.144 -13.656 1.00 40.35 H new ATOM 0 HA2 GLY A 110 -6.870 -8.892 -13.704 1.00 2.25 H new ATOM 0 HA3 GLY A 110 -5.569 -9.801 -12.961 1.00 2.25 H new ATOM 1936 N ASP A 111 -6.596 -9.976 -10.726 1.00 13.12 N ATOM 1937 CA ASP A 111 -7.265 -10.230 -9.455 1.00 4.21 C ATOM 1938 C ASP A 111 -6.275 -10.159 -8.280 1.00 14.11 C ATOM 1939 O ASP A 111 -6.586 -10.600 -7.172 1.00 4.43 O ATOM 1940 CB ASP A 111 -7.941 -11.602 -9.513 1.00 3.13 C ATOM 1941 CG ASP A 111 -9.092 -11.739 -8.529 1.00 20.42 C ATOM 1942 OD1 ASP A 111 -10.215 -11.300 -8.856 1.00 22.43 O ATOM 1943 OD2 ASP A 111 -8.872 -12.292 -7.430 1.00 54.32 O ATOM 0 H ASP A 111 -5.777 -10.562 -10.889 1.00 13.12 H new ATOM 0 HA ASP A 111 -8.018 -9.459 -9.289 1.00 4.21 H new ATOM 0 HB2 ASP A 111 -8.311 -11.776 -10.523 1.00 3.13 H new ATOM 0 HB3 ASP A 111 -7.200 -12.375 -9.307 1.00 3.13 H new ATOM 1948 N GLU A 112 -5.075 -9.616 -8.532 1.00 11.22 N ATOM 1949 CA GLU A 112 -4.035 -9.507 -7.510 1.00 2.02 C ATOM 1950 C GLU A 112 -3.604 -8.053 -7.292 1.00 34.30 C ATOM 1951 O GLU A 112 -3.605 -7.247 -8.225 1.00 53.14 O ATOM 1952 CB GLU A 112 -2.832 -10.352 -7.932 1.00 62.51 C ATOM 1953 CG GLU A 112 -3.223 -11.626 -8.670 1.00 21.30 C ATOM 1954 CD GLU A 112 -2.772 -11.638 -10.118 1.00 44.23 C ATOM 1955 OE1 GLU A 112 -3.344 -10.875 -10.926 1.00 34.22 O ATOM 1956 OE2 GLU A 112 -1.848 -12.412 -10.444 1.00 53.22 O ATOM 0 H GLU A 112 -4.804 -9.245 -9.442 1.00 11.22 H new ATOM 0 HA GLU A 112 -4.439 -9.872 -6.566 1.00 2.02 H new ATOM 0 HB2 GLU A 112 -2.183 -9.754 -8.571 1.00 62.51 H new ATOM 0 HB3 GLU A 112 -2.253 -10.616 -7.047 1.00 62.51 H new ATOM 0 HG2 GLU A 112 -2.792 -12.484 -8.154 1.00 21.30 H new ATOM 0 HG3 GLU A 112 -4.306 -11.743 -8.632 1.00 21.30 H new ATOM 1963 N LEU A 113 -3.229 -7.727 -6.052 1.00 43.42 N ATOM 1964 CA LEU A 113 -2.792 -6.372 -5.708 1.00 5.40 C ATOM 1965 C LEU A 113 -1.302 -6.201 -5.901 1.00 43.01 C ATOM 1966 O LEU A 113 -0.519 -7.117 -5.642 1.00 2.14 O ATOM 1967 CB LEU A 113 -3.138 -6.045 -4.256 1.00 4.00 C ATOM 1968 CG LEU A 113 -2.743 -4.636 -3.796 1.00 4.02 C ATOM 1969 CD1 LEU A 113 -3.638 -3.586 -4.435 1.00 0.24 C ATOM 1970 CD2 LEU A 113 -2.796 -4.535 -2.279 1.00 24.50 C ATOM 0 H LEU A 113 -3.219 -8.382 -5.271 1.00 43.42 H new ATOM 0 HA LEU A 113 -3.317 -5.691 -6.378 1.00 5.40 H new ATOM 0 HB2 LEU A 113 -4.212 -6.168 -4.118 1.00 4.00 H new ATOM 0 HB3 LEU A 113 -2.648 -6.773 -3.609 1.00 4.00 H new ATOM 0 HG LEU A 113 -1.719 -4.448 -4.118 1.00 4.02 H new ATOM 0 HD11 LEU A 113 -3.338 -2.595 -4.093 1.00 0.24 H new ATOM 0 HD12 LEU A 113 -3.544 -3.639 -5.520 1.00 0.24 H new ATOM 0 HD13 LEU A 113 -4.674 -3.769 -4.151 1.00 0.24 H new ATOM 0 HD21 LEU A 113 -2.513 -3.528 -1.971 1.00 24.50 H new ATOM 0 HD22 LEU A 113 -3.808 -4.748 -1.935 1.00 24.50 H new ATOM 0 HD23 LEU A 113 -2.105 -5.256 -1.842 1.00 24.50 H new ATOM 1982 N VAL A 114 -0.914 -5.011 -6.350 1.00 1.13 N ATOM 1983 CA VAL A 114 0.478 -4.712 -6.569 1.00 14.23 C ATOM 1984 C VAL A 114 0.865 -3.319 -6.094 1.00 13.24 C ATOM 1985 O VAL A 114 0.066 -2.380 -6.113 1.00 62.34 O ATOM 1986 CB VAL A 114 0.856 -4.835 -8.039 1.00 53.42 C ATOM 1987 CG1 VAL A 114 1.216 -6.270 -8.372 1.00 5.02 C ATOM 1988 CG2 VAL A 114 -0.245 -4.327 -8.942 1.00 54.41 C ATOM 0 H VAL A 114 -1.552 -4.245 -6.566 1.00 1.13 H new ATOM 0 HA VAL A 114 1.023 -5.449 -5.980 1.00 14.23 H new ATOM 0 HB VAL A 114 1.730 -4.209 -8.215 1.00 53.42 H new ATOM 0 HG11 VAL A 114 1.484 -6.343 -9.426 1.00 5.02 H new ATOM 0 HG12 VAL A 114 2.061 -6.584 -7.760 1.00 5.02 H new ATOM 0 HG13 VAL A 114 0.362 -6.916 -8.170 1.00 5.02 H new ATOM 0 HG21 VAL A 114 0.061 -4.431 -9.983 1.00 54.41 H new ATOM 0 HG22 VAL A 114 -1.152 -4.906 -8.771 1.00 54.41 H new ATOM 0 HG23 VAL A 114 -0.439 -3.277 -8.724 1.00 54.41 H new ATOM 1998 N GLN A 115 2.121 -3.206 -5.699 1.00 11.00 N ATOM 1999 CA GLN A 115 2.695 -1.946 -5.241 1.00 51.34 C ATOM 2000 C GLN A 115 4.121 -1.812 -5.774 1.00 4.24 C ATOM 2001 O GLN A 115 5.002 -2.595 -5.410 1.00 1.45 O ATOM 2002 CB GLN A 115 2.674 -1.873 -3.714 1.00 41.14 C ATOM 2003 CG GLN A 115 2.351 -0.491 -3.170 1.00 43.52 C ATOM 2004 CD GLN A 115 1.386 -0.537 -1.996 1.00 11.10 C ATOM 2005 OE1 GLN A 115 1.646 0.046 -0.946 1.00 2.40 O ATOM 2006 NE2 GLN A 115 0.263 -1.229 -2.169 1.00 40.24 N ATOM 0 H GLN A 115 2.777 -3.987 -5.686 1.00 11.00 H new ATOM 0 HA GLN A 115 2.098 -1.118 -5.623 1.00 51.34 H new ATOM 0 HB2 GLN A 115 1.939 -2.583 -3.336 1.00 41.14 H new ATOM 0 HB3 GLN A 115 3.645 -2.186 -3.331 1.00 41.14 H new ATOM 0 HG2 GLN A 115 3.274 -0.002 -2.858 1.00 43.52 H new ATOM 0 HG3 GLN A 115 1.921 0.118 -3.966 1.00 43.52 H new ATOM 0 HE21 GLN A 115 0.085 -1.699 -3.057 1.00 40.24 H new ATOM 0 HE22 GLN A 115 -0.420 -1.290 -1.414 1.00 40.24 H new ATOM 2015 N THR A 116 4.339 -0.835 -6.650 1.00 62.11 N ATOM 2016 CA THR A 116 5.656 -0.620 -7.246 1.00 35.22 C ATOM 2017 C THR A 116 6.447 0.436 -6.481 1.00 51.32 C ATOM 2018 O THR A 116 5.920 1.499 -6.154 1.00 61.55 O ATOM 2019 CB THR A 116 5.512 -0.196 -8.713 1.00 32.14 C ATOM 2020 OG1 THR A 116 4.532 -0.982 -9.371 1.00 12.40 O ATOM 2021 CG2 THR A 116 6.799 -0.311 -9.503 1.00 14.34 C ATOM 0 H THR A 116 3.622 -0.180 -6.963 1.00 62.11 H new ATOM 0 HA THR A 116 6.202 -1.562 -7.192 1.00 35.22 H new ATOM 0 HB THR A 116 5.220 0.853 -8.679 1.00 32.14 H new ATOM 0 HG1 THR A 116 4.455 -0.694 -10.305 1.00 12.40 H new ATOM 0 HG21 THR A 116 6.624 0.005 -10.531 1.00 14.34 H new ATOM 0 HG22 THR A 116 7.561 0.325 -9.052 1.00 14.34 H new ATOM 0 HG23 THR A 116 7.140 -1.346 -9.494 1.00 14.34 H new ATOM 2029 N TYR A 117 7.720 0.142 -6.217 1.00 33.44 N ATOM 2030 CA TYR A 117 8.597 1.074 -5.513 1.00 20.44 C ATOM 2031 C TYR A 117 9.858 1.321 -6.324 1.00 14.33 C ATOM 2032 O TYR A 117 10.406 0.402 -6.931 1.00 51.24 O ATOM 2033 CB TYR A 117 8.990 0.556 -4.127 1.00 72.24 C ATOM 2034 CG TYR A 117 7.821 0.198 -3.238 1.00 71.41 C ATOM 2035 CD1 TYR A 117 7.061 -0.939 -3.475 1.00 32.30 C ATOM 2036 CD2 TYR A 117 7.483 1.001 -2.157 1.00 54.33 C ATOM 2037 CE1 TYR A 117 5.996 -1.267 -2.659 1.00 32.12 C ATOM 2038 CE2 TYR A 117 6.420 0.679 -1.335 1.00 31.21 C ATOM 2039 CZ TYR A 117 5.679 -0.455 -1.591 1.00 23.30 C ATOM 2040 OH TYR A 117 4.619 -0.781 -0.775 1.00 42.41 O ATOM 0 H TYR A 117 8.166 -0.736 -6.481 1.00 33.44 H new ATOM 0 HA TYR A 117 8.042 2.003 -5.387 1.00 20.44 H new ATOM 0 HB2 TYR A 117 9.622 -0.324 -4.247 1.00 72.24 H new ATOM 0 HB3 TYR A 117 9.592 1.314 -3.627 1.00 72.24 H new ATOM 0 HD1 TYR A 117 7.306 -1.577 -4.311 1.00 32.30 H new ATOM 0 HD2 TYR A 117 8.060 1.891 -1.955 1.00 54.33 H new ATOM 0 HE1 TYR A 117 5.414 -2.155 -2.857 1.00 32.12 H new ATOM 0 HE2 TYR A 117 6.171 1.312 -0.496 1.00 31.21 H new ATOM 0 HH TYR A 117 4.530 -0.107 -0.069 1.00 42.41 H new ATOM 2050 N VAL A 118 10.306 2.567 -6.328 1.00 74.42 N ATOM 2051 CA VAL A 118 11.507 2.953 -7.067 1.00 62.15 C ATOM 2052 C VAL A 118 12.590 3.496 -6.130 1.00 44.02 C ATOM 2053 O VAL A 118 12.365 4.477 -5.417 1.00 20.14 O ATOM 2054 CB VAL A 118 11.198 4.014 -8.148 1.00 22.43 C ATOM 2055 CG1 VAL A 118 12.008 3.735 -9.403 1.00 53.11 C ATOM 2056 CG2 VAL A 118 9.709 4.056 -8.474 1.00 42.23 C ATOM 0 H VAL A 118 9.857 3.334 -5.827 1.00 74.42 H new ATOM 0 HA VAL A 118 11.873 2.049 -7.554 1.00 62.15 H new ATOM 0 HB VAL A 118 11.480 4.990 -7.754 1.00 22.43 H new ATOM 0 HG11 VAL A 118 11.782 4.489 -10.157 1.00 53.11 H new ATOM 0 HG12 VAL A 118 13.071 3.768 -9.165 1.00 53.11 H new ATOM 0 HG13 VAL A 118 11.753 2.748 -9.789 1.00 53.11 H new ATOM 0 HG21 VAL A 118 9.525 4.812 -9.237 1.00 42.23 H new ATOM 0 HG22 VAL A 118 9.390 3.082 -8.844 1.00 42.23 H new ATOM 0 HG23 VAL A 118 9.146 4.304 -7.574 1.00 42.23 H new ATOM 2066 N TYR A 119 13.765 2.852 -6.138 1.00 3.24 N ATOM 2067 CA TYR A 119 14.888 3.268 -5.290 1.00 63.11 C ATOM 2068 C TYR A 119 16.165 3.460 -6.113 1.00 63.42 C ATOM 2069 O TYR A 119 16.814 2.488 -6.505 1.00 21.25 O ATOM 2070 CB TYR A 119 15.135 2.236 -4.177 1.00 44.42 C ATOM 2071 CG TYR A 119 16.170 2.667 -3.147 1.00 55.04 C ATOM 2072 CD1 TYR A 119 15.998 3.834 -2.403 1.00 42.53 C ATOM 2073 CD2 TYR A 119 17.318 1.907 -2.921 1.00 12.04 C ATOM 2074 CE1 TYR A 119 16.937 4.232 -1.465 1.00 25.40 C ATOM 2075 CE2 TYR A 119 18.261 2.296 -1.988 1.00 63.42 C ATOM 2076 CZ TYR A 119 18.067 3.459 -1.262 1.00 34.43 C ATOM 2077 OH TYR A 119 19.007 3.851 -0.335 1.00 61.11 O ATOM 0 H TYR A 119 13.962 2.040 -6.723 1.00 3.24 H new ATOM 0 HA TYR A 119 14.624 4.224 -4.838 1.00 63.11 H new ATOM 0 HB2 TYR A 119 14.193 2.035 -3.667 1.00 44.42 H new ATOM 0 HB3 TYR A 119 15.458 1.299 -4.631 1.00 44.42 H new ATOM 0 HD1 TYR A 119 15.117 4.438 -2.561 1.00 42.53 H new ATOM 0 HD2 TYR A 119 17.473 0.999 -3.485 1.00 12.04 H new ATOM 0 HE1 TYR A 119 16.788 5.138 -0.897 1.00 25.40 H new ATOM 0 HE2 TYR A 119 19.144 1.696 -1.826 1.00 63.42 H new ATOM 0 HH TYR A 119 19.738 3.198 -0.314 1.00 61.11 H new ATOM 2087 N GLU A 120 16.524 4.725 -6.354 1.00 75.32 N ATOM 2088 CA GLU A 120 17.733 5.076 -7.109 1.00 60.12 C ATOM 2089 C GLU A 120 17.831 4.323 -8.443 1.00 55.22 C ATOM 2090 O GLU A 120 18.788 3.583 -8.681 1.00 34.55 O ATOM 2091 CB GLU A 120 18.978 4.805 -6.257 1.00 12.03 C ATOM 2092 CG GLU A 120 19.110 5.732 -5.058 1.00 34.31 C ATOM 2093 CD GLU A 120 19.612 7.111 -5.440 1.00 12.43 C ATOM 2094 OE1 GLU A 120 18.782 7.955 -5.839 1.00 2.14 O ATOM 2095 OE2 GLU A 120 20.835 7.346 -5.343 1.00 65.54 O ATOM 0 H GLU A 120 15.988 5.532 -6.033 1.00 75.32 H new ATOM 0 HA GLU A 120 17.671 6.138 -7.345 1.00 60.12 H new ATOM 0 HB2 GLU A 120 18.950 3.773 -5.907 1.00 12.03 H new ATOM 0 HB3 GLU A 120 19.865 4.906 -6.883 1.00 12.03 H new ATOM 0 HG2 GLU A 120 18.141 5.825 -4.567 1.00 34.31 H new ATOM 0 HG3 GLU A 120 19.793 5.288 -4.334 1.00 34.31 H new ATOM 2102 N GLY A 121 16.844 4.525 -9.314 1.00 2.31 N ATOM 2103 CA GLY A 121 16.849 3.867 -10.613 1.00 60.42 C ATOM 2104 C GLY A 121 16.560 2.375 -10.534 1.00 63.33 C ATOM 2105 O GLY A 121 16.951 1.620 -11.425 1.00 25.31 O ATOM 0 H GLY A 121 16.042 5.132 -9.145 1.00 2.31 H new ATOM 0 HA2 GLY A 121 16.106 4.340 -11.255 1.00 60.42 H new ATOM 0 HA3 GLY A 121 17.820 4.017 -11.085 1.00 60.42 H new ATOM 2109 N VAL A 122 15.871 1.950 -9.475 1.00 64.25 N ATOM 2110 CA VAL A 122 15.521 0.545 -9.297 1.00 73.12 C ATOM 2111 C VAL A 122 14.045 0.414 -8.944 1.00 72.41 C ATOM 2112 O VAL A 122 13.644 0.682 -7.810 1.00 60.51 O ATOM 2113 CB VAL A 122 16.378 -0.123 -8.201 1.00 72.45 C ATOM 2114 CG1 VAL A 122 15.867 -1.522 -7.887 1.00 42.44 C ATOM 2115 CG2 VAL A 122 17.839 -0.163 -8.626 1.00 52.32 C ATOM 0 H VAL A 122 15.545 2.562 -8.727 1.00 64.25 H new ATOM 0 HA VAL A 122 15.721 0.034 -10.239 1.00 73.12 H new ATOM 0 HB VAL A 122 16.298 0.472 -7.291 1.00 72.45 H new ATOM 0 HG11 VAL A 122 16.488 -1.971 -7.112 1.00 42.44 H new ATOM 0 HG12 VAL A 122 14.836 -1.463 -7.537 1.00 42.44 H new ATOM 0 HG13 VAL A 122 15.910 -2.136 -8.787 1.00 42.44 H new ATOM 0 HG21 VAL A 122 18.433 -0.637 -7.844 1.00 52.32 H new ATOM 0 HG22 VAL A 122 17.934 -0.734 -9.550 1.00 52.32 H new ATOM 0 HG23 VAL A 122 18.198 0.853 -8.789 1.00 52.32 H new ATOM 2125 N GLU A 123 13.236 0.016 -9.921 1.00 34.40 N ATOM 2126 CA GLU A 123 11.804 -0.131 -9.705 1.00 3.04 C ATOM 2127 C GLU A 123 11.416 -1.592 -9.487 1.00 64.34 C ATOM 2128 O GLU A 123 11.334 -2.380 -10.432 1.00 64.33 O ATOM 2129 CB GLU A 123 11.014 0.469 -10.870 1.00 24.20 C ATOM 2130 CG GLU A 123 9.755 1.197 -10.417 1.00 63.23 C ATOM 2131 CD GLU A 123 9.311 2.308 -11.355 1.00 73.42 C ATOM 2132 OE1 GLU A 123 10.149 2.824 -12.127 1.00 33.14 O ATOM 2133 OE2 GLU A 123 8.116 2.669 -11.308 1.00 12.54 O ATOM 0 H GLU A 123 13.548 -0.209 -10.866 1.00 34.40 H new ATOM 0 HA GLU A 123 11.551 0.417 -8.797 1.00 3.04 H new ATOM 0 HB2 GLU A 123 11.653 1.163 -11.417 1.00 24.20 H new ATOM 0 HB3 GLU A 123 10.739 -0.325 -11.564 1.00 24.20 H new ATOM 0 HG2 GLU A 123 8.945 0.474 -10.318 1.00 63.23 H new ATOM 0 HG3 GLU A 123 9.928 1.619 -9.427 1.00 63.23 H new ATOM 2140 N ALA A 124 11.166 -1.931 -8.225 1.00 44.34 N ATOM 2141 CA ALA A 124 10.766 -3.278 -7.839 1.00 12.21 C ATOM 2142 C ALA A 124 9.333 -3.264 -7.319 1.00 3.45 C ATOM 2143 O ALA A 124 8.810 -2.203 -6.970 1.00 11.22 O ATOM 2144 CB ALA A 124 11.711 -3.822 -6.777 1.00 24.12 C ATOM 0 H ALA A 124 11.235 -1.279 -7.443 1.00 44.34 H new ATOM 0 HA ALA A 124 10.816 -3.928 -8.712 1.00 12.21 H new ATOM 0 HB1 ALA A 124 11.402 -4.829 -6.496 1.00 24.12 H new ATOM 0 HB2 ALA A 124 12.726 -3.851 -7.173 1.00 24.12 H new ATOM 0 HB3 ALA A 124 11.683 -3.176 -5.899 1.00 24.12 H new ATOM 2150 N LYS A 125 8.690 -4.430 -7.267 1.00 23.22 N ATOM 2151 CA LYS A 125 7.309 -4.501 -6.783 1.00 45.24 C ATOM 2152 C LYS A 125 7.028 -5.798 -6.024 1.00 34.12 C ATOM 2153 O LYS A 125 7.753 -6.787 -6.151 1.00 3.13 O ATOM 2154 CB LYS A 125 6.299 -4.347 -7.940 1.00 74.41 C ATOM 2155 CG LYS A 125 6.921 -4.032 -9.296 1.00 13.30 C ATOM 2156 CD LYS A 125 7.559 -5.264 -9.924 1.00 4.11 C ATOM 2157 CE LYS A 125 7.513 -5.203 -11.443 1.00 12.33 C ATOM 2158 NZ LYS A 125 6.239 -5.751 -11.983 1.00 1.01 N ATOM 0 H LYS A 125 9.093 -5.324 -7.548 1.00 23.22 H new ATOM 0 HA LYS A 125 7.185 -3.669 -6.090 1.00 45.24 H new ATOM 0 HB2 LYS A 125 5.723 -5.269 -8.026 1.00 74.41 H new ATOM 0 HB3 LYS A 125 5.596 -3.554 -7.686 1.00 74.41 H new ATOM 0 HG2 LYS A 125 6.156 -3.638 -9.965 1.00 13.30 H new ATOM 0 HG3 LYS A 125 7.674 -3.252 -9.179 1.00 13.30 H new ATOM 0 HD2 LYS A 125 8.594 -5.347 -9.593 1.00 4.11 H new ATOM 0 HD3 LYS A 125 7.041 -6.159 -9.579 1.00 4.11 H new ATOM 0 HE2 LYS A 125 7.630 -4.169 -11.768 1.00 12.33 H new ATOM 0 HE3 LYS A 125 8.352 -5.764 -11.854 1.00 12.33 H new ATOM 0 HZ1 LYS A 125 6.331 -5.897 -13.009 1.00 1.01 H new ATOM 0 HZ2 LYS A 125 6.029 -6.659 -11.522 1.00 1.01 H new ATOM 0 HZ3 LYS A 125 5.466 -5.081 -11.796 1.00 1.01 H new ATOM 2172 N ARG A 126 5.946 -5.770 -5.245 1.00 62.24 N ATOM 2173 CA ARG A 126 5.498 -6.917 -4.456 1.00 12.32 C ATOM 2174 C ARG A 126 4.067 -7.260 -4.848 1.00 62.22 C ATOM 2175 O ARG A 126 3.172 -6.413 -4.751 1.00 33.43 O ATOM 2176 CB ARG A 126 5.567 -6.599 -2.959 1.00 44.04 C ATOM 2177 CG ARG A 126 6.954 -6.775 -2.357 1.00 2.12 C ATOM 2178 CD ARG A 126 6.956 -7.815 -1.245 1.00 11.30 C ATOM 2179 NE ARG A 126 6.935 -9.186 -1.765 1.00 11.52 N ATOM 2180 CZ ARG A 126 7.654 -10.198 -1.260 1.00 5.52 C ATOM 2181 NH1 ARG A 126 8.450 -10.011 -0.208 1.00 3.04 N ATOM 2182 NH2 ARG A 126 7.570 -11.407 -1.807 1.00 62.22 N ATOM 0 H ARG A 126 5.353 -4.946 -5.143 1.00 62.24 H new ATOM 0 HA ARG A 126 6.150 -7.767 -4.656 1.00 12.32 H new ATOM 0 HB2 ARG A 126 5.240 -5.572 -2.800 1.00 44.04 H new ATOM 0 HB3 ARG A 126 4.866 -7.243 -2.428 1.00 44.04 H new ATOM 0 HG2 ARG A 126 7.654 -7.074 -3.137 1.00 2.12 H new ATOM 0 HG3 ARG A 126 7.304 -5.821 -1.964 1.00 2.12 H new ATOM 0 HD2 ARG A 126 7.841 -7.678 -0.624 1.00 11.30 H new ATOM 0 HD3 ARG A 126 6.089 -7.659 -0.603 1.00 11.30 H new ATOM 0 HE ARG A 126 6.333 -9.383 -2.565 1.00 11.52 H new ATOM 0 HH11 ARG A 126 8.518 -9.089 0.223 1.00 3.04 H new ATOM 0 HH12 ARG A 126 8.992 -10.790 0.166 1.00 3.04 H new ATOM 0 HH21 ARG A 126 6.959 -11.563 -2.609 1.00 62.22 H new ATOM 0 HH22 ARG A 126 8.116 -12.179 -1.425 1.00 62.22 H new ATOM 2196 N ILE A 127 3.853 -8.493 -5.300 1.00 60.44 N ATOM 2197 CA ILE A 127 2.525 -8.932 -5.712 1.00 55.24 C ATOM 2198 C ILE A 127 1.844 -9.695 -4.587 1.00 34.20 C ATOM 2199 O ILE A 127 2.227 -10.824 -4.269 1.00 73.23 O ATOM 2200 CB ILE A 127 2.574 -9.824 -6.974 1.00 21.42 C ATOM 2201 CG1 ILE A 127 3.187 -9.065 -8.152 1.00 53.42 C ATOM 2202 CG2 ILE A 127 1.178 -10.315 -7.335 1.00 53.35 C ATOM 2203 CD1 ILE A 127 3.801 -9.969 -9.199 1.00 20.21 C ATOM 0 H ILE A 127 4.580 -9.203 -5.390 1.00 60.44 H new ATOM 0 HA ILE A 127 1.954 -8.034 -5.950 1.00 55.24 H new ATOM 0 HB ILE A 127 3.203 -10.687 -6.755 1.00 21.42 H new ATOM 0 HG12 ILE A 127 2.416 -8.452 -8.619 1.00 53.42 H new ATOM 0 HG13 ILE A 127 3.952 -8.385 -7.777 1.00 53.42 H new ATOM 0 HG21 ILE A 127 1.232 -10.941 -8.226 1.00 53.35 H new ATOM 0 HG22 ILE A 127 0.771 -10.896 -6.507 1.00 53.35 H new ATOM 0 HG23 ILE A 127 0.531 -9.460 -7.531 1.00 53.35 H new ATOM 0 HD11 ILE A 127 4.216 -9.363 -10.004 1.00 20.21 H new ATOM 0 HD12 ILE A 127 4.594 -10.564 -8.746 1.00 20.21 H new ATOM 0 HD13 ILE A 127 3.035 -10.632 -9.602 1.00 20.21 H new ATOM 2215 N PHE A 128 0.833 -9.077 -3.988 1.00 4.04 N ATOM 2216 CA PHE A 128 0.102 -9.710 -2.902 1.00 24.12 C ATOM 2217 C PHE A 128 -1.216 -10.276 -3.407 1.00 12.40 C ATOM 2218 O PHE A 128 -2.017 -9.563 -4.017 1.00 74.43 O ATOM 2219 CB PHE A 128 -0.179 -8.713 -1.771 1.00 12.01 C ATOM 2220 CG PHE A 128 1.008 -7.882 -1.375 1.00 34.22 C ATOM 2221 CD1 PHE A 128 1.912 -8.345 -0.433 1.00 33.20 C ATOM 2222 CD2 PHE A 128 1.216 -6.638 -1.947 1.00 54.02 C ATOM 2223 CE1 PHE A 128 3.004 -7.582 -0.069 1.00 64.21 C ATOM 2224 CE2 PHE A 128 2.307 -5.871 -1.586 1.00 45.01 C ATOM 2225 CZ PHE A 128 3.202 -6.345 -0.646 1.00 14.11 C ATOM 0 H PHE A 128 0.504 -8.144 -4.235 1.00 4.04 H new ATOM 0 HA PHE A 128 0.722 -10.518 -2.515 1.00 24.12 H new ATOM 0 HB2 PHE A 128 -0.987 -8.049 -2.079 1.00 12.01 H new ATOM 0 HB3 PHE A 128 -0.532 -9.261 -0.898 1.00 12.01 H new ATOM 0 HD1 PHE A 128 1.761 -9.313 0.022 1.00 33.20 H new ATOM 0 HD2 PHE A 128 0.519 -6.264 -2.682 1.00 54.02 H new ATOM 0 HE1 PHE A 128 3.702 -7.953 0.667 1.00 64.21 H new ATOM 0 HE2 PHE A 128 2.460 -4.902 -2.038 1.00 45.01 H new ATOM 0 HZ PHE A 128 4.056 -5.747 -0.363 1.00 14.11 H new ATOM 2235 N LYS A 129 -1.444 -11.551 -3.127 1.00 52.01 N ATOM 2236 CA LYS A 129 -2.680 -12.214 -3.529 1.00 61.23 C ATOM 2237 C LYS A 129 -3.545 -12.456 -2.301 1.00 52.55 C ATOM 2238 O LYS A 129 -3.023 -12.737 -1.220 1.00 32.11 O ATOM 2239 CB LYS A 129 -2.375 -13.542 -4.236 1.00 5.34 C ATOM 2240 CG LYS A 129 -3.581 -14.465 -4.380 1.00 21.43 C ATOM 2241 CD LYS A 129 -3.204 -15.923 -4.155 1.00 54.41 C ATOM 2242 CE LYS A 129 -3.310 -16.318 -2.690 1.00 61.32 C ATOM 2243 NZ LYS A 129 -2.435 -17.478 -2.356 1.00 60.31 N ATOM 0 H LYS A 129 -0.790 -12.149 -2.623 1.00 52.01 H new ATOM 0 HA LYS A 129 -3.217 -11.573 -4.229 1.00 61.23 H new ATOM 0 HB2 LYS A 129 -1.974 -13.329 -5.227 1.00 5.34 H new ATOM 0 HB3 LYS A 129 -1.595 -14.065 -3.682 1.00 5.34 H new ATOM 0 HG2 LYS A 129 -4.350 -14.173 -3.665 1.00 21.43 H new ATOM 0 HG3 LYS A 129 -4.011 -14.350 -5.375 1.00 21.43 H new ATOM 0 HD2 LYS A 129 -3.855 -16.562 -4.751 1.00 54.41 H new ATOM 0 HD3 LYS A 129 -2.185 -16.092 -4.504 1.00 54.41 H new ATOM 0 HE2 LYS A 129 -3.037 -15.467 -2.065 1.00 61.32 H new ATOM 0 HE3 LYS A 129 -4.345 -16.566 -2.456 1.00 61.32 H new ATOM 0 HZ1 LYS A 129 -2.791 -17.946 -1.498 1.00 60.31 H new ATOM 0 HZ2 LYS A 129 -2.439 -18.155 -3.146 1.00 60.31 H new ATOM 0 HZ3 LYS A 129 -1.464 -17.144 -2.191 1.00 60.31 H new ATOM 2257 N LYS A 130 -4.867 -12.338 -2.467 1.00 40.21 N ATOM 2258 CA LYS A 130 -5.797 -12.542 -1.352 1.00 43.41 C ATOM 2259 C LYS A 130 -5.389 -13.752 -0.534 1.00 13.11 C ATOM 2260 O LYS A 130 -4.936 -14.758 -1.079 1.00 23.14 O ATOM 2261 CB LYS A 130 -7.229 -12.751 -1.825 1.00 53.25 C ATOM 2262 CG LYS A 130 -7.693 -11.766 -2.890 1.00 51.34 C ATOM 2263 CD LYS A 130 -8.408 -10.576 -2.267 1.00 25.40 C ATOM 2264 CE LYS A 130 -9.888 -10.584 -2.604 1.00 34.45 C ATOM 2265 NZ LYS A 130 -10.382 -9.243 -3.027 1.00 32.53 N ATOM 0 H LYS A 130 -5.313 -12.105 -3.354 1.00 40.21 H new ATOM 0 HA LYS A 130 -5.755 -11.636 -0.747 1.00 43.41 H new ATOM 0 HB2 LYS A 130 -7.324 -13.763 -2.218 1.00 53.25 H new ATOM 0 HB3 LYS A 130 -7.896 -12.679 -0.966 1.00 53.25 H new ATOM 0 HG2 LYS A 130 -6.835 -11.417 -3.465 1.00 51.34 H new ATOM 0 HG3 LYS A 130 -8.361 -12.270 -3.588 1.00 51.34 H new ATOM 0 HD2 LYS A 130 -8.279 -10.597 -1.185 1.00 25.40 H new ATOM 0 HD3 LYS A 130 -7.957 -9.650 -2.624 1.00 25.40 H new ATOM 0 HE2 LYS A 130 -10.072 -11.304 -3.401 1.00 34.45 H new ATOM 0 HE3 LYS A 130 -10.454 -10.919 -1.735 1.00 34.45 H new ATOM 0 HZ1 LYS A 130 -11.326 -9.339 -3.453 1.00 32.53 H new ATOM 0 HZ2 LYS A 130 -10.438 -8.617 -2.199 1.00 32.53 H new ATOM 0 HZ3 LYS A 130 -9.727 -8.836 -3.725 1.00 32.53 H new ATOM 2279 N ASP A 131 -5.556 -13.655 0.769 1.00 33.44 N ATOM 2280 CA ASP A 131 -5.200 -14.753 1.652 1.00 55.01 C ATOM 2281 C ASP A 131 -6.434 -15.526 2.101 1.00 62.41 C ATOM 2282 O ASP A 131 -7.458 -14.884 2.415 1.00 62.41 O ATOM 2283 CB ASP A 131 -4.430 -14.244 2.874 1.00 0.44 C ATOM 2284 CG ASP A 131 -3.887 -15.377 3.725 1.00 25.35 C ATOM 2285 OD1 ASP A 131 -3.092 -16.186 3.203 1.00 15.32 O ATOM 2286 OD2 ASP A 131 -4.260 -15.460 4.914 1.00 75.41 O ATOM 2287 OXT ASP A 131 -6.362 -16.770 2.141 1.00 62.41 O ATOM 0 H ASP A 131 -5.934 -12.833 1.241 1.00 33.44 H new ATOM 0 HA ASP A 131 -4.558 -15.429 1.087 1.00 55.01 H new ATOM 0 HB2 ASP A 131 -3.605 -13.613 2.544 1.00 0.44 H new ATOM 0 HB3 ASP A 131 -5.086 -13.620 3.480 1.00 0.44 H new TER 2292 ASP A 131 HETATM 2293 C1 OLA A 201 2.448 3.430 3.452 1.00 20.00 C HETATM 2294 O1 OLA A 201 1.865 2.913 4.428 1.00 20.00 O HETATM 2295 O2 OLA A 201 2.306 4.628 3.128 1.00 20.00 O HETATM 2296 C2 OLA A 201 3.366 2.555 2.617 1.00 20.00 C HETATM 2297 C3 OLA A 201 4.811 3.033 2.627 1.00 20.00 C HETATM 2298 C4 OLA A 201 5.622 2.340 3.712 1.00 20.00 C HETATM 2299 C5 OLA A 201 7.082 2.768 3.679 1.00 20.00 C HETATM 2300 C6 OLA A 201 7.690 2.801 5.075 1.00 20.00 C HETATM 2301 C7 OLA A 201 8.105 1.412 5.541 1.00 20.00 C HETATM 2302 C8 OLA A 201 9.597 1.339 5.830 1.00 20.00 C HETATM 2303 C9 OLA A 201 9.864 0.301 6.923 1.00 20.00 C HETATM 2304 C10 OLA A 201 11.108 -0.592 6.852 1.00 20.00 C HETATM 2305 C11 OLA A 201 12.093 -0.453 5.688 1.00 20.00 C HETATM 2306 C12 OLA A 201 13.514 -0.355 6.220 1.00 20.00 C HETATM 2307 C13 OLA A 201 14.168 -1.724 6.329 1.00 20.00 C HETATM 2308 C14 OLA A 201 14.157 -2.234 7.762 1.00 20.00 C HETATM 2309 C15 OLA A 201 14.314 -3.745 7.818 1.00 20.00 C HETATM 2310 C16 OLA A 201 15.755 -4.148 8.087 1.00 20.00 C HETATM 2311 C17 OLA A 201 15.890 -5.653 8.260 1.00 20.00 C HETATM 2312 C18 OLA A 201 15.311 -6.197 9.549 1.00 20.00 C HETATM 0 H183 OLA A 201 15.816 -5.736 10.398 1.00 20.00 H new HETATM 0 H182 OLA A 201 14.246 -5.970 9.594 1.00 20.00 H new HETATM 0 H181 OLA A 201 15.453 -7.277 9.584 1.00 20.00 H new HETATM 0 H172 OLA A 201 15.400 -6.147 7.421 1.00 20.00 H new HETATM 0 H171 OLA A 201 16.946 -5.917 8.212 1.00 20.00 H new HETATM 0 H162 OLA A 201 16.386 -3.817 7.262 1.00 20.00 H new HETATM 0 H161 OLA A 201 16.113 -3.644 8.985 1.00 20.00 H new HETATM 0 H152 OLA A 201 13.670 -4.150 8.599 1.00 20.00 H new HETATM 0 H151 OLA A 201 13.984 -4.181 6.875 1.00 20.00 H new HETATM 0 H142 OLA A 201 14.964 -1.763 8.323 1.00 20.00 H new HETATM 0 H141 OLA A 201 13.223 -1.946 8.244 1.00 20.00 H new HETATM 0 H132 OLA A 201 13.644 -2.431 5.686 1.00 20.00 H new HETATM 0 H131 OLA A 201 15.195 -1.667 5.970 1.00 20.00 H new HETATM 0 H122 OLA A 201 14.106 0.280 5.561 1.00 20.00 H new HETATM 0 H121 OLA A 201 13.504 0.123 7.200 1.00 20.00 H new HETATM 0 H112 OLA A 201 12.004 -1.310 5.021 1.00 20.00 H new HETATM 0 H111 OLA A 201 11.853 0.434 5.101 1.00 20.00 H new HETATM 0 HO2 OLA A 201 1.944 4.680 2.219 1.00 20.00 H new HETATM 0 H9 OLA A 201 9.167 0.196 7.755 1.00 20.00 H new HETATM 0 H82 OLA A 201 10.140 1.073 4.923 1.00 20.00 H new HETATM 0 H81 OLA A 201 9.964 2.316 6.146 1.00 20.00 H new HETATM 0 H72 OLA A 201 7.547 1.147 6.439 1.00 20.00 H new HETATM 0 H71 OLA A 201 7.846 0.679 4.777 1.00 20.00 H new HETATM 0 H62 OLA A 201 8.558 3.461 5.079 1.00 20.00 H new HETATM 0 H61 OLA A 201 6.968 3.220 5.776 1.00 20.00 H new HETATM 0 H52 OLA A 201 7.649 2.081 3.051 1.00 20.00 H new HETATM 0 H51 OLA A 201 7.162 3.755 3.224 1.00 20.00 H new HETATM 0 H42 OLA A 201 5.196 2.571 4.689 1.00 20.00 H new HETATM 0 H41 OLA A 201 5.556 1.260 3.583 1.00 20.00 H new HETATM 0 H32 OLA A 201 5.265 2.842 1.655 1.00 20.00 H new HETATM 0 H31 OLA A 201 4.837 4.111 2.785 1.00 20.00 H new HETATM 0 H22 OLA A 201 3.324 1.532 2.992 1.00 20.00 H new HETATM 0 H21 OLA A 201 3.003 2.533 1.589 1.00 20.00 H new HETATM 0 H10 OLA A 201 11.292 -1.329 7.634 1.00 20.00 H new