USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 802 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 SER OG : rot 82:sc= 0.617 USER MOD Set 1.2: A 74 SER OG : rot 180:sc= 0.564 USER MOD Set 2.1: A 43 THR OG1 : rot -61:sc= 0.191 USER MOD Set 2.2: A 47 THR OG1 : rot -8:sc= 0.0357 USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0859 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.0469 X(o=-0.047,f=-0.047) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 110:sc= -0.863 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -1.66 X(o=-1.7,f=-2.1) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.0293 X(o=-0.029,f=0) USER MOD Single : A 27 THR OG1 : rot 55:sc= 0.397 USER MOD Single : A 28 GLN : amide:sc= -1.51 K(o=-1.5,f=-3.2!) USER MOD Single : A 32 LYS NZ :NH3+ 151:sc= -0.147 (180deg=-0.966) USER MOD Single : A 33 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.00691) USER MOD Single : A 41 GLN : amide:sc= -0.0539 K(o=-0.054,f=-1.6!) USER MOD Single : A 42 ASN : amide:sc= -0.344 K(o=-0.34,f=-1.6) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 51 LYS NZ :NH3+ -173:sc= 0.00204 (180deg=-0.0356) USER MOD Single : A 53 GLN : amide:sc= -1.14 X(o=-1.1,f=-1.4) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl -158:sc= -1.32 (180deg=-3.05!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot -67:sc= 0.997 USER MOD Single : A 75 HIS : no HD1:sc= -0.0837 X(o=-0.084,f=-0.0018) USER MOD Single : A 78 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0796) USER MOD Single : A 80 ASN : amide:sc= -0.374 X(o=-0.37,f=-0.48) USER MOD Single : A 82 LYS NZ :NH3+ -124:sc= 0.547 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 85 LYS NZ :NH3+ -99:sc= -0.312 (180deg=-1.73!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 65:sc= 1.34 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.303 X(o=-0.3,f=-0.048) USER MOD Single : A 99 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.725) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.330 0.000 0.000 1.00 13.00 N ATOM 2 CA GLY A 1 2.071 0.001 -1.247 1.00 45.03 C ATOM 3 C GLY A 1 1.314 -0.676 -2.373 1.00 4.23 C ATOM 4 O GLY A 1 0.195 -1.148 -2.180 1.00 74.41 O ATOM 0 H1 GLY A 1 1.197 0.979 0.326 1.00 13.00 H new ATOM 0 H2 GLY A 1 0.401 -0.444 -0.148 1.00 13.00 H new ATOM 0 H3 GLY A 1 1.859 -0.535 0.718 1.00 13.00 H new ATOM 0 HA2 GLY A 1 2.296 1.029 -1.531 1.00 45.03 H new ATOM 0 HA3 GLY A 1 3.025 -0.505 -1.099 1.00 45.03 H new ATOM 8 N ALA A 2 1.926 -0.721 -3.552 1.00 21.43 N ATOM 9 CA ALA A 2 1.303 -1.345 -4.712 1.00 74.41 C ATOM 10 C ALA A 2 1.979 -2.669 -5.053 1.00 40.24 C ATOM 11 O ALA A 2 3.172 -2.846 -4.811 1.00 63.34 O ATOM 12 CB ALA A 2 1.349 -0.404 -5.906 1.00 55.42 C ATOM 0 H ALA A 2 2.853 -0.333 -3.728 1.00 21.43 H new ATOM 0 HA ALA A 2 0.261 -1.552 -4.466 1.00 74.41 H new ATOM 0 HB1 ALA A 2 0.880 -0.883 -6.765 1.00 55.42 H new ATOM 0 HB2 ALA A 2 0.814 0.515 -5.666 1.00 55.42 H new ATOM 0 HB3 ALA A 2 2.386 -0.168 -6.144 1.00 55.42 H new ATOM 18 N GLU A 3 1.208 -3.594 -5.616 1.00 22.41 N ATOM 19 CA GLU A 3 1.734 -4.902 -5.989 1.00 24.35 C ATOM 20 C GLU A 3 1.821 -5.042 -7.506 1.00 3.33 C ATOM 21 O GLU A 3 1.081 -4.392 -8.243 1.00 71.51 O ATOM 22 CB GLU A 3 0.854 -6.014 -5.413 1.00 2.31 C ATOM 23 CG GLU A 3 -0.629 -5.814 -5.677 1.00 63.01 C ATOM 24 CD GLU A 3 -1.297 -4.947 -4.628 1.00 22.15 C ATOM 25 OE1 GLU A 3 -0.931 -5.068 -3.439 1.00 53.53 O ATOM 26 OE2 GLU A 3 -2.185 -4.149 -4.994 1.00 25.13 O ATOM 0 H GLU A 3 0.218 -3.462 -5.824 1.00 22.41 H new ATOM 0 HA GLU A 3 2.738 -4.992 -5.575 1.00 24.35 H new ATOM 0 HB2 GLU A 3 1.165 -6.969 -5.838 1.00 2.31 H new ATOM 0 HB3 GLU A 3 1.018 -6.075 -4.337 1.00 2.31 H new ATOM 0 HG2 GLU A 3 -0.761 -5.358 -6.658 1.00 63.01 H new ATOM 0 HG3 GLU A 3 -1.123 -6.785 -5.708 1.00 63.01 H new ATOM 33 N GLY A 4 2.733 -5.894 -7.965 1.00 31.04 N ATOM 34 CA GLY A 4 2.901 -6.103 -9.391 1.00 22.32 C ATOM 35 C GLY A 4 4.318 -6.500 -9.755 1.00 41.13 C ATOM 36 O GLY A 4 5.002 -5.783 -10.484 1.00 4.31 O ATOM 0 H GLY A 4 3.358 -6.443 -7.375 1.00 31.04 H new ATOM 0 HA2 GLY A 4 2.212 -6.879 -9.725 1.00 22.32 H new ATOM 0 HA3 GLY A 4 2.635 -5.190 -9.923 1.00 22.32 H new ATOM 40 N ASN A 5 4.760 -7.645 -9.246 1.00 20.12 N ATOM 41 CA ASN A 5 6.106 -8.135 -9.520 1.00 41.24 C ATOM 42 C ASN A 5 6.086 -9.196 -10.616 1.00 32.41 C ATOM 43 O ASN A 5 6.151 -10.394 -10.337 1.00 74.32 O ATOM 44 CB ASN A 5 6.731 -8.711 -8.248 1.00 41.31 C ATOM 45 CG ASN A 5 8.140 -9.224 -8.477 1.00 74.01 C ATOM 46 OD1 ASN A 5 8.395 -10.426 -8.396 1.00 40.42 O ATOM 47 ND2 ASN A 5 9.062 -8.313 -8.765 1.00 12.25 N ATOM 0 H ASN A 5 4.206 -8.251 -8.641 1.00 20.12 H new ATOM 0 HA ASN A 5 6.709 -7.294 -9.864 1.00 41.24 H new ATOM 0 HB2 ASN A 5 6.748 -7.943 -7.475 1.00 41.31 H new ATOM 0 HB3 ASN A 5 6.107 -9.524 -7.876 1.00 41.31 H new ATOM 0 HD21 ASN A 5 10.027 -8.599 -8.930 1.00 12.25 H new ATOM 0 HD22 ASN A 5 8.805 -7.328 -8.822 1.00 12.25 H new ATOM 54 N THR A 6 5.996 -8.749 -11.865 1.00 10.04 N ATOM 55 CA THR A 6 5.967 -9.659 -13.002 1.00 73.24 C ATOM 56 C THR A 6 7.270 -9.596 -13.791 1.00 31.24 C ATOM 57 O THR A 6 7.463 -8.707 -14.620 1.00 43.44 O ATOM 58 CB THR A 6 4.793 -9.340 -13.947 1.00 53.11 C ATOM 59 OG1 THR A 6 3.700 -8.790 -13.203 1.00 3.35 O ATOM 60 CG2 THR A 6 4.334 -10.590 -14.682 1.00 35.55 C ATOM 0 H THR A 6 5.942 -7.761 -12.114 1.00 10.04 H new ATOM 0 HA THR A 6 5.838 -10.663 -12.599 1.00 73.24 H new ATOM 0 HB THR A 6 5.135 -8.611 -14.681 1.00 53.11 H new ATOM 0 HG1 THR A 6 2.959 -8.588 -13.811 1.00 3.35 H new ATOM 0 HG21 THR A 6 3.504 -10.339 -15.343 1.00 35.55 H new ATOM 0 HG22 THR A 6 5.160 -10.989 -15.271 1.00 35.55 H new ATOM 0 HG23 THR A 6 4.009 -11.338 -13.959 1.00 35.55 H new ATOM 68 N LEU A 7 8.161 -10.545 -13.527 1.00 64.23 N ATOM 69 CA LEU A 7 9.448 -10.598 -14.213 1.00 73.14 C ATOM 70 C LEU A 7 9.337 -11.380 -15.519 1.00 10.43 C ATOM 71 O LEU A 7 8.852 -12.511 -15.537 1.00 34.14 O ATOM 72 CB LEU A 7 10.504 -11.238 -13.310 1.00 74.35 C ATOM 73 CG LEU A 7 10.721 -10.569 -11.953 1.00 44.42 C ATOM 74 CD1 LEU A 7 11.295 -11.561 -10.954 1.00 71.41 C ATOM 75 CD2 LEU A 7 11.638 -9.362 -12.095 1.00 14.12 C ATOM 0 H LEU A 7 8.017 -11.288 -12.843 1.00 64.23 H new ATOM 0 HA LEU A 7 9.750 -9.577 -14.447 1.00 73.14 H new ATOM 0 HB2 LEU A 7 10.225 -12.278 -13.140 1.00 74.35 H new ATOM 0 HB3 LEU A 7 11.454 -11.246 -13.845 1.00 74.35 H new ATOM 0 HG LEU A 7 9.756 -10.226 -11.580 1.00 44.42 H new ATOM 0 HD11 LEU A 7 11.443 -11.066 -9.994 1.00 71.41 H new ATOM 0 HD12 LEU A 7 10.603 -12.394 -10.830 1.00 71.41 H new ATOM 0 HD13 LEU A 7 12.251 -11.934 -11.321 1.00 71.41 H new ATOM 0 HD21 LEU A 7 11.782 -8.898 -11.119 1.00 14.12 H new ATOM 0 HD22 LEU A 7 12.602 -9.682 -12.490 1.00 14.12 H new ATOM 0 HD23 LEU A 7 11.187 -8.641 -12.777 1.00 14.12 H new ATOM 87 N ILE A 8 9.792 -10.769 -16.608 1.00 33.51 N ATOM 88 CA ILE A 8 9.747 -11.410 -17.917 1.00 14.44 C ATOM 89 C ILE A 8 11.044 -11.183 -18.684 1.00 64.05 C ATOM 90 O ILE A 8 11.969 -10.541 -18.186 1.00 14.21 O ATOM 91 CB ILE A 8 8.567 -10.887 -18.758 1.00 63.43 C ATOM 92 CG1 ILE A 8 8.644 -9.365 -18.894 1.00 35.34 C ATOM 93 CG2 ILE A 8 7.245 -11.303 -18.132 1.00 75.43 C ATOM 94 CD1 ILE A 8 7.976 -8.836 -20.143 1.00 40.45 C ATOM 0 H ILE A 8 10.196 -9.832 -16.610 1.00 33.51 H new ATOM 0 HA ILE A 8 9.614 -12.478 -17.743 1.00 14.44 H new ATOM 0 HB ILE A 8 8.628 -11.325 -19.754 1.00 63.43 H new ATOM 0 HG12 ILE A 8 8.179 -8.906 -18.021 1.00 35.34 H new ATOM 0 HG13 ILE A 8 9.691 -9.061 -18.895 1.00 35.34 H new ATOM 0 HG21 ILE A 8 6.421 -10.926 -18.738 1.00 75.43 H new ATOM 0 HG22 ILE A 8 7.192 -12.391 -18.083 1.00 75.43 H new ATOM 0 HG23 ILE A 8 7.173 -10.891 -17.125 1.00 75.43 H new ATOM 0 HD11 ILE A 8 8.069 -7.750 -20.174 1.00 40.45 H new ATOM 0 HD12 ILE A 8 8.456 -9.266 -21.022 1.00 40.45 H new ATOM 0 HD13 ILE A 8 6.921 -9.109 -20.135 1.00 40.45 H new ATOM 106 N SER A 9 11.106 -11.713 -19.902 1.00 34.42 N ATOM 107 CA SER A 9 12.291 -11.571 -20.739 1.00 1.21 C ATOM 108 C SER A 9 11.918 -11.600 -22.218 1.00 64.20 C ATOM 109 O SER A 9 11.520 -12.637 -22.749 1.00 42.24 O ATOM 110 CB SER A 9 13.295 -12.684 -20.432 1.00 52.10 C ATOM 111 OG SER A 9 12.675 -13.957 -20.482 1.00 21.35 O ATOM 0 H SER A 9 10.349 -12.245 -20.331 1.00 34.42 H new ATOM 0 HA SER A 9 12.749 -10.607 -20.517 1.00 1.21 H new ATOM 0 HB2 SER A 9 14.115 -12.647 -21.149 1.00 52.10 H new ATOM 0 HB3 SER A 9 13.728 -12.525 -19.444 1.00 52.10 H new ATOM 0 HG SER A 9 13.337 -14.652 -20.284 1.00 21.35 H new ATOM 117 N VAL A 10 12.051 -10.454 -22.878 1.00 14.10 N ATOM 118 CA VAL A 10 11.729 -10.347 -24.296 1.00 42.31 C ATOM 119 C VAL A 10 12.929 -9.851 -25.095 1.00 52.55 C ATOM 120 O VAL A 10 13.615 -8.914 -24.687 1.00 41.53 O ATOM 121 CB VAL A 10 10.540 -9.396 -24.532 1.00 23.31 C ATOM 122 CG1 VAL A 10 10.891 -7.983 -24.091 1.00 74.21 C ATOM 123 CG2 VAL A 10 10.122 -9.419 -25.994 1.00 64.24 C ATOM 0 H VAL A 10 12.379 -9.587 -22.453 1.00 14.10 H new ATOM 0 HA VAL A 10 11.457 -11.347 -24.636 1.00 42.31 H new ATOM 0 HB VAL A 10 9.697 -9.739 -23.932 1.00 23.31 H new ATOM 0 HG11 VAL A 10 10.039 -7.325 -24.265 1.00 74.21 H new ATOM 0 HG12 VAL A 10 11.138 -7.984 -23.029 1.00 74.21 H new ATOM 0 HG13 VAL A 10 11.748 -7.626 -24.662 1.00 74.21 H new ATOM 0 HG21 VAL A 10 9.281 -8.742 -26.143 1.00 64.24 H new ATOM 0 HG22 VAL A 10 10.958 -9.101 -26.617 1.00 64.24 H new ATOM 0 HG23 VAL A 10 9.827 -10.431 -26.272 1.00 64.24 H new ATOM 133 N ASP A 11 13.175 -10.485 -26.236 1.00 44.44 N ATOM 134 CA ASP A 11 14.292 -10.107 -27.095 1.00 52.23 C ATOM 135 C ASP A 11 13.803 -9.749 -28.495 1.00 44.34 C ATOM 136 O ASP A 11 12.873 -10.365 -29.016 1.00 12.54 O ATOM 137 CB ASP A 11 15.311 -11.244 -27.173 1.00 22.43 C ATOM 138 CG ASP A 11 14.652 -12.607 -27.263 1.00 4.13 C ATOM 139 OD1 ASP A 11 14.386 -13.208 -26.201 1.00 63.02 O ATOM 140 OD2 ASP A 11 14.404 -13.073 -28.395 1.00 12.43 O ATOM 0 H ASP A 11 12.617 -11.263 -26.588 1.00 44.44 H new ATOM 0 HA ASP A 11 14.771 -9.230 -26.661 1.00 52.23 H new ATOM 0 HB2 ASP A 11 15.951 -11.095 -28.042 1.00 22.43 H new ATOM 0 HB3 ASP A 11 15.955 -11.212 -26.294 1.00 22.43 H new ATOM 145 N TYR A 12 14.436 -8.749 -29.099 1.00 62.13 N ATOM 146 CA TYR A 12 14.064 -8.306 -30.438 1.00 31.42 C ATOM 147 C TYR A 12 15.258 -7.689 -31.159 1.00 51.41 C ATOM 148 O TYR A 12 16.298 -7.433 -30.553 1.00 52.21 O ATOM 149 CB TYR A 12 12.920 -7.294 -30.363 1.00 35.20 C ATOM 150 CG TYR A 12 13.120 -6.230 -29.308 1.00 23.12 C ATOM 151 CD1 TYR A 12 14.179 -5.334 -29.390 1.00 22.13 C ATOM 152 CD2 TYR A 12 12.252 -6.121 -28.229 1.00 22.24 C ATOM 153 CE1 TYR A 12 14.367 -4.361 -28.428 1.00 2.44 C ATOM 154 CE2 TYR A 12 12.432 -5.150 -27.263 1.00 15.03 C ATOM 155 CZ TYR A 12 13.490 -4.272 -27.366 1.00 65.35 C ATOM 156 OH TYR A 12 13.673 -3.304 -26.406 1.00 24.34 O ATOM 0 H TYR A 12 15.209 -8.230 -28.683 1.00 62.13 H new ATOM 0 HA TYR A 12 13.733 -9.177 -31.003 1.00 31.42 H new ATOM 0 HB2 TYR A 12 12.807 -6.813 -31.335 1.00 35.20 H new ATOM 0 HB3 TYR A 12 11.990 -7.825 -30.160 1.00 35.20 H new ATOM 0 HD1 TYR A 12 14.867 -5.400 -30.220 1.00 22.13 H new ATOM 0 HD2 TYR A 12 11.422 -6.807 -28.144 1.00 22.24 H new ATOM 0 HE1 TYR A 12 15.196 -3.673 -28.506 1.00 2.44 H new ATOM 0 HE2 TYR A 12 11.747 -5.079 -26.431 1.00 15.03 H new ATOM 0 HH TYR A 12 12.964 -2.631 -26.481 1.00 24.34 H new ATOM 166 N GLU A 13 15.099 -7.451 -32.457 1.00 73.54 N ATOM 167 CA GLU A 13 16.163 -6.864 -33.262 1.00 44.21 C ATOM 168 C GLU A 13 15.729 -5.520 -33.841 1.00 63.42 C ATOM 169 O GLU A 13 15.216 -5.451 -34.958 1.00 63.15 O ATOM 170 CB GLU A 13 16.562 -7.814 -34.393 1.00 21.30 C ATOM 171 CG GLU A 13 15.379 -8.368 -35.168 1.00 55.14 C ATOM 172 CD GLU A 13 14.883 -9.689 -34.613 1.00 25.13 C ATOM 173 OE1 GLU A 13 15.637 -10.682 -34.686 1.00 22.34 O ATOM 174 OE2 GLU A 13 13.743 -9.730 -34.105 1.00 63.15 O ATOM 0 H GLU A 13 14.243 -7.656 -32.973 1.00 73.54 H new ATOM 0 HA GLU A 13 17.024 -6.700 -32.615 1.00 44.21 H new ATOM 0 HB2 GLU A 13 17.223 -7.288 -35.082 1.00 21.30 H new ATOM 0 HB3 GLU A 13 17.132 -8.644 -33.975 1.00 21.30 H new ATOM 0 HG2 GLU A 13 14.566 -7.642 -35.149 1.00 55.14 H new ATOM 0 HG3 GLU A 13 15.664 -8.501 -36.212 1.00 55.14 H new ATOM 181 N ILE A 14 15.938 -4.457 -33.073 1.00 44.52 N ATOM 182 CA ILE A 14 15.570 -3.116 -33.510 1.00 15.44 C ATOM 183 C ILE A 14 16.141 -2.810 -34.890 1.00 2.01 C ATOM 184 O ILE A 14 17.249 -3.231 -35.222 1.00 25.11 O ATOM 185 CB ILE A 14 16.058 -2.046 -32.516 1.00 3.45 C ATOM 186 CG1 ILE A 14 15.449 -2.287 -31.133 1.00 5.13 C ATOM 187 CG2 ILE A 14 15.706 -0.654 -33.020 1.00 24.02 C ATOM 188 CD1 ILE A 14 13.937 -2.297 -31.132 1.00 32.30 C ATOM 0 H ILE A 14 16.360 -4.498 -32.145 1.00 44.52 H new ATOM 0 HA ILE A 14 14.481 -3.088 -33.556 1.00 15.44 H new ATOM 0 HB ILE A 14 17.142 -2.118 -32.432 1.00 3.45 H new ATOM 0 HG12 ILE A 14 15.811 -3.240 -30.747 1.00 5.13 H new ATOM 0 HG13 ILE A 14 15.800 -1.513 -30.451 1.00 5.13 H new ATOM 0 HG21 ILE A 14 16.058 0.091 -32.306 1.00 24.02 H new ATOM 0 HG22 ILE A 14 16.183 -0.485 -33.985 1.00 24.02 H new ATOM 0 HG23 ILE A 14 14.625 -0.569 -33.130 1.00 24.02 H new ATOM 0 HD11 ILE A 14 13.575 -2.473 -30.119 1.00 32.30 H new ATOM 0 HD12 ILE A 14 13.567 -1.336 -31.488 1.00 32.30 H new ATOM 0 HD13 ILE A 14 13.578 -3.090 -31.788 1.00 32.30 H new ATOM 200 N PHE A 15 15.378 -2.073 -35.690 1.00 62.04 N ATOM 201 CA PHE A 15 15.809 -1.709 -37.035 1.00 71.53 C ATOM 202 C PHE A 15 16.402 -0.304 -37.055 1.00 52.42 C ATOM 203 O PHE A 15 16.640 0.296 -36.008 1.00 4.21 O ATOM 204 CB PHE A 15 14.633 -1.793 -38.010 1.00 54.13 C ATOM 205 CG PHE A 15 13.800 -3.031 -37.840 1.00 73.24 C ATOM 206 CD1 PHE A 15 14.397 -4.280 -37.773 1.00 52.22 C ATOM 207 CD2 PHE A 15 12.420 -2.947 -37.747 1.00 50.31 C ATOM 208 CE1 PHE A 15 13.633 -5.421 -37.618 1.00 14.33 C ATOM 209 CE2 PHE A 15 11.650 -4.084 -37.591 1.00 65.30 C ATOM 210 CZ PHE A 15 12.258 -5.323 -37.525 1.00 51.22 C ATOM 0 H PHE A 15 14.458 -1.716 -35.431 1.00 62.04 H new ATOM 0 HA PHE A 15 16.581 -2.414 -37.345 1.00 71.53 H new ATOM 0 HB2 PHE A 15 13.998 -0.917 -37.877 1.00 54.13 H new ATOM 0 HB3 PHE A 15 15.014 -1.759 -39.031 1.00 54.13 H new ATOM 0 HD1 PHE A 15 15.472 -4.362 -37.843 1.00 52.22 H new ATOM 0 HD2 PHE A 15 11.940 -1.981 -37.797 1.00 50.31 H new ATOM 0 HE1 PHE A 15 14.110 -6.389 -37.570 1.00 14.33 H new ATOM 0 HE2 PHE A 15 10.575 -4.004 -37.521 1.00 65.30 H new ATOM 0 HZ PHE A 15 11.659 -6.213 -37.401 1.00 51.22 H new ATOM 220 N GLY A 16 16.638 0.216 -38.256 1.00 71.12 N ATOM 221 CA GLY A 16 17.202 1.546 -38.391 1.00 54.32 C ATOM 222 C GLY A 16 18.716 1.531 -38.456 1.00 31.44 C ATOM 223 O GLY A 16 19.342 0.486 -38.276 1.00 20.22 O ATOM 0 H GLY A 16 16.448 -0.260 -39.138 1.00 71.12 H new ATOM 0 HA2 GLY A 16 16.808 2.014 -39.293 1.00 54.32 H new ATOM 0 HA3 GLY A 16 16.884 2.159 -37.548 1.00 54.32 H new ATOM 227 N LYS A 17 19.308 2.692 -38.714 1.00 74.25 N ATOM 228 CA LYS A 17 20.758 2.809 -38.803 1.00 62.01 C ATOM 229 C LYS A 17 21.392 2.788 -37.416 1.00 15.24 C ATOM 230 O LYS A 17 21.930 3.794 -36.953 1.00 12.02 O ATOM 231 CB LYS A 17 21.143 4.099 -39.532 1.00 32.34 C ATOM 232 CG LYS A 17 20.502 5.344 -38.944 1.00 35.33 C ATOM 233 CD LYS A 17 21.367 6.573 -39.164 1.00 15.43 C ATOM 234 CE LYS A 17 22.443 6.696 -38.097 1.00 24.44 C ATOM 235 NZ LYS A 17 23.573 7.557 -38.544 1.00 53.03 N ATOM 0 H LYS A 17 18.805 3.566 -38.865 1.00 74.25 H new ATOM 0 HA LYS A 17 21.132 1.955 -39.367 1.00 62.01 H new ATOM 0 HB2 LYS A 17 22.227 4.212 -39.506 1.00 32.34 H new ATOM 0 HB3 LYS A 17 20.857 4.013 -40.580 1.00 32.34 H new ATOM 0 HG2 LYS A 17 19.524 5.500 -39.399 1.00 35.33 H new ATOM 0 HG3 LYS A 17 20.338 5.200 -37.876 1.00 35.33 H new ATOM 0 HD2 LYS A 17 21.833 6.520 -40.148 1.00 15.43 H new ATOM 0 HD3 LYS A 17 20.741 7.466 -39.156 1.00 15.43 H new ATOM 0 HE2 LYS A 17 22.007 7.112 -37.188 1.00 24.44 H new ATOM 0 HE3 LYS A 17 22.820 5.705 -37.845 1.00 24.44 H new ATOM 0 HZ1 LYS A 17 24.285 7.615 -37.788 1.00 53.03 H new ATOM 0 HZ2 LYS A 17 24.006 7.147 -39.396 1.00 53.03 H new ATOM 0 HZ3 LYS A 17 23.219 8.511 -38.760 1.00 53.03 H new ATOM 249 N VAL A 18 21.325 1.636 -36.757 1.00 32.43 N ATOM 250 CA VAL A 18 21.894 1.483 -35.423 1.00 41.40 C ATOM 251 C VAL A 18 23.141 0.607 -35.455 1.00 20.15 C ATOM 252 O VAL A 18 23.492 -0.025 -34.459 1.00 21.04 O ATOM 253 CB VAL A 18 20.874 0.872 -34.444 1.00 64.51 C ATOM 254 CG1 VAL A 18 19.813 1.895 -34.070 1.00 31.40 C ATOM 255 CG2 VAL A 18 20.239 -0.373 -35.046 1.00 50.40 C ATOM 0 H VAL A 18 20.882 0.794 -37.125 1.00 32.43 H new ATOM 0 HA VAL A 18 22.164 2.481 -35.077 1.00 41.40 H new ATOM 0 HB VAL A 18 21.399 0.581 -33.534 1.00 64.51 H new ATOM 0 HG11 VAL A 18 19.101 1.445 -33.378 1.00 31.40 H new ATOM 0 HG12 VAL A 18 20.287 2.754 -33.595 1.00 31.40 H new ATOM 0 HG13 VAL A 18 19.289 2.221 -34.968 1.00 31.40 H new ATOM 0 HG21 VAL A 18 19.521 -0.792 -34.341 1.00 50.40 H new ATOM 0 HG22 VAL A 18 19.727 -0.109 -35.972 1.00 50.40 H new ATOM 0 HG23 VAL A 18 21.013 -1.111 -35.257 1.00 50.40 H new ATOM 265 N GLN A 19 23.806 0.575 -36.605 1.00 20.41 N ATOM 266 CA GLN A 19 25.015 -0.225 -36.766 1.00 34.12 C ATOM 267 C GLN A 19 26.189 0.645 -37.200 1.00 43.05 C ATOM 268 O GLN A 19 26.078 1.432 -38.139 1.00 53.14 O ATOM 269 CB GLN A 19 24.783 -1.338 -37.789 1.00 53.14 C ATOM 270 CG GLN A 19 24.321 -0.830 -39.146 1.00 65.20 C ATOM 271 CD GLN A 19 25.477 -0.505 -40.071 1.00 45.22 C ATOM 272 OE1 GLN A 19 25.596 0.617 -40.565 1.00 12.01 O ATOM 273 NE2 GLN A 19 26.338 -1.487 -40.311 1.00 45.12 N ATOM 0 H GLN A 19 23.529 1.093 -37.439 1.00 20.41 H new ATOM 0 HA GLN A 19 25.256 -0.673 -35.802 1.00 34.12 H new ATOM 0 HB2 GLN A 19 25.707 -1.901 -37.917 1.00 53.14 H new ATOM 0 HB3 GLN A 19 24.039 -2.031 -37.397 1.00 53.14 H new ATOM 0 HG2 GLN A 19 23.686 -1.582 -39.614 1.00 65.20 H new ATOM 0 HG3 GLN A 19 23.710 0.062 -39.007 1.00 65.20 H new ATOM 0 HE21 GLN A 19 26.201 -2.402 -39.881 1.00 45.12 H new ATOM 0 HE22 GLN A 19 27.136 -1.327 -40.926 1.00 45.12 H new ATOM 282 N GLY A 20 27.316 0.498 -36.510 1.00 61.31 N ATOM 283 CA GLY A 20 28.495 1.277 -36.840 1.00 1.15 C ATOM 284 C GLY A 20 28.547 2.595 -36.092 1.00 34.20 C ATOM 285 O GLY A 20 29.234 3.527 -36.509 1.00 54.32 O ATOM 0 H GLY A 20 27.433 -0.147 -35.728 1.00 61.31 H new ATOM 0 HA2 GLY A 20 29.387 0.696 -36.608 1.00 1.15 H new ATOM 0 HA3 GLY A 20 28.510 1.471 -37.913 1.00 1.15 H new ATOM 289 N VAL A 21 27.817 2.674 -34.984 1.00 34.31 N ATOM 290 CA VAL A 21 27.781 3.887 -34.177 1.00 2.25 C ATOM 291 C VAL A 21 28.071 3.581 -32.711 1.00 43.25 C ATOM 292 O VAL A 21 28.318 2.433 -32.343 1.00 65.31 O ATOM 293 CB VAL A 21 26.416 4.592 -34.282 1.00 34.22 C ATOM 294 CG1 VAL A 21 26.080 4.892 -35.735 1.00 1.13 C ATOM 295 CG2 VAL A 21 25.328 3.744 -33.639 1.00 62.01 C ATOM 0 H VAL A 21 27.242 1.912 -34.625 1.00 34.31 H new ATOM 0 HA VAL A 21 28.554 4.549 -34.567 1.00 2.25 H new ATOM 0 HB VAL A 21 26.473 5.538 -33.744 1.00 34.22 H new ATOM 0 HG11 VAL A 21 25.112 5.390 -35.789 1.00 1.13 H new ATOM 0 HG12 VAL A 21 26.846 5.541 -36.159 1.00 1.13 H new ATOM 0 HG13 VAL A 21 26.041 3.960 -36.299 1.00 1.13 H new ATOM 0 HG21 VAL A 21 24.370 4.257 -33.722 1.00 62.01 H new ATOM 0 HG22 VAL A 21 25.269 2.781 -34.147 1.00 62.01 H new ATOM 0 HG23 VAL A 21 25.564 3.585 -32.587 1.00 62.01 H new ATOM 305 N PHE A 22 28.039 4.616 -31.879 1.00 1.51 N ATOM 306 CA PHE A 22 28.299 4.459 -30.453 1.00 21.13 C ATOM 307 C PHE A 22 27.054 4.786 -29.633 1.00 71.25 C ATOM 308 O PHE A 22 26.937 5.873 -29.068 1.00 21.04 O ATOM 309 CB PHE A 22 29.458 5.360 -30.021 1.00 61.14 C ATOM 310 CG PHE A 22 30.189 4.858 -28.809 1.00 33.31 C ATOM 311 CD1 PHE A 22 30.815 3.622 -28.824 1.00 5.13 C ATOM 312 CD2 PHE A 22 30.248 5.621 -27.654 1.00 41.11 C ATOM 313 CE1 PHE A 22 31.489 3.157 -27.710 1.00 11.12 C ATOM 314 CE2 PHE A 22 30.920 5.162 -26.537 1.00 64.54 C ATOM 315 CZ PHE A 22 31.540 3.928 -26.565 1.00 25.42 C ATOM 0 H PHE A 22 27.836 5.573 -32.168 1.00 1.51 H new ATOM 0 HA PHE A 22 28.569 3.419 -30.272 1.00 21.13 H new ATOM 0 HB2 PHE A 22 30.163 5.453 -30.847 1.00 61.14 H new ATOM 0 HB3 PHE A 22 29.074 6.359 -29.816 1.00 61.14 H new ATOM 0 HD1 PHE A 22 30.776 3.015 -29.716 1.00 5.13 H new ATOM 0 HD2 PHE A 22 29.763 6.586 -27.626 1.00 41.11 H new ATOM 0 HE1 PHE A 22 31.975 2.193 -27.735 1.00 11.12 H new ATOM 0 HE2 PHE A 22 30.960 5.767 -25.643 1.00 64.54 H new ATOM 0 HZ PHE A 22 32.064 3.566 -25.693 1.00 25.42 H new ATOM 325 N PHE A 23 26.125 3.837 -29.575 1.00 64.13 N ATOM 326 CA PHE A 23 24.888 4.023 -28.827 1.00 54.32 C ATOM 327 C PHE A 23 24.790 3.023 -27.679 1.00 72.55 C ATOM 328 O PHE A 23 24.149 3.289 -26.662 1.00 64.14 O ATOM 329 CB PHE A 23 23.679 3.874 -29.754 1.00 22.42 C ATOM 330 CG PHE A 23 23.413 2.454 -30.167 1.00 13.24 C ATOM 331 CD1 PHE A 23 24.251 1.810 -31.062 1.00 24.03 C ATOM 332 CD2 PHE A 23 22.323 1.765 -29.660 1.00 30.51 C ATOM 333 CE1 PHE A 23 24.009 0.504 -31.443 1.00 62.24 C ATOM 334 CE2 PHE A 23 22.076 0.458 -30.038 1.00 0.24 C ATOM 335 CZ PHE A 23 22.919 -0.173 -30.931 1.00 44.44 C ATOM 0 H PHE A 23 26.206 2.931 -30.037 1.00 64.13 H new ATOM 0 HA PHE A 23 24.894 5.029 -28.408 1.00 54.32 H new ATOM 0 HB2 PHE A 23 22.796 4.270 -29.253 1.00 22.42 H new ATOM 0 HB3 PHE A 23 23.838 4.480 -30.646 1.00 22.42 H new ATOM 0 HD1 PHE A 23 25.104 2.335 -31.467 1.00 24.03 H new ATOM 0 HD2 PHE A 23 21.659 2.254 -28.962 1.00 30.51 H new ATOM 0 HE1 PHE A 23 24.671 0.013 -32.140 1.00 62.24 H new ATOM 0 HE2 PHE A 23 21.224 -0.069 -29.635 1.00 0.24 H new ATOM 0 HZ PHE A 23 22.727 -1.193 -31.229 1.00 44.44 H new ATOM 345 N ARG A 24 25.429 1.870 -27.851 1.00 50.13 N ATOM 346 CA ARG A 24 25.413 0.828 -26.832 1.00 0.24 C ATOM 347 C ARG A 24 25.828 1.389 -25.475 1.00 3.13 C ATOM 348 O ARG A 24 25.281 1.009 -24.439 1.00 54.35 O ATOM 349 CB ARG A 24 26.345 -0.318 -27.229 1.00 2.04 C ATOM 350 CG ARG A 24 26.116 -0.828 -28.642 1.00 41.41 C ATOM 351 CD ARG A 24 26.791 -2.172 -28.866 1.00 35.14 C ATOM 352 NE ARG A 24 28.187 -2.024 -29.268 1.00 33.03 N ATOM 353 CZ ARG A 24 28.565 -1.573 -30.459 1.00 14.35 C ATOM 354 NH1 ARG A 24 27.655 -1.227 -31.359 1.00 42.22 N ATOM 355 NH2 ARG A 24 29.855 -1.466 -30.750 1.00 73.22 N ATOM 0 H ARG A 24 25.964 1.634 -28.687 1.00 50.13 H new ATOM 0 HA ARG A 24 24.395 0.448 -26.753 1.00 0.24 H new ATOM 0 HB2 ARG A 24 27.378 0.016 -27.136 1.00 2.04 H new ATOM 0 HB3 ARG A 24 26.212 -1.142 -26.528 1.00 2.04 H new ATOM 0 HG2 ARG A 24 25.046 -0.922 -28.827 1.00 41.41 H new ATOM 0 HG3 ARG A 24 26.501 -0.102 -29.359 1.00 41.41 H new ATOM 0 HD2 ARG A 24 26.738 -2.761 -27.950 1.00 35.14 H new ATOM 0 HD3 ARG A 24 26.250 -2.726 -29.633 1.00 35.14 H new ATOM 0 HE ARG A 24 28.912 -2.281 -28.598 1.00 33.03 H new ATOM 0 HH11 ARG A 24 26.663 -1.307 -31.138 1.00 42.22 H new ATOM 0 HH12 ARG A 24 27.947 -0.881 -32.273 1.00 42.22 H new ATOM 0 HH21 ARG A 24 30.557 -1.730 -30.059 1.00 73.22 H new ATOM 0 HH22 ARG A 24 30.144 -1.120 -31.665 1.00 73.22 H new ATOM 369 N LYS A 25 26.800 2.295 -25.487 1.00 64.11 N ATOM 370 CA LYS A 25 27.290 2.910 -24.259 1.00 32.41 C ATOM 371 C LYS A 25 26.147 3.550 -23.478 1.00 53.21 C ATOM 372 O LYS A 25 26.145 3.548 -22.247 1.00 33.34 O ATOM 373 CB LYS A 25 28.355 3.961 -24.580 1.00 34.04 C ATOM 374 CG LYS A 25 28.902 4.667 -23.351 1.00 62.51 C ATOM 375 CD LYS A 25 29.736 3.728 -22.495 1.00 11.45 C ATOM 376 CE LYS A 25 31.064 3.400 -23.159 1.00 23.14 C ATOM 377 NZ LYS A 25 31.972 2.654 -22.244 1.00 22.12 N ATOM 0 H LYS A 25 27.265 2.620 -26.335 1.00 64.11 H new ATOM 0 HA LYS A 25 27.735 2.128 -23.643 1.00 32.41 H new ATOM 0 HB2 LYS A 25 29.178 3.482 -25.110 1.00 34.04 H new ATOM 0 HB3 LYS A 25 27.929 4.703 -25.256 1.00 34.04 H new ATOM 0 HG2 LYS A 25 29.510 5.517 -23.659 1.00 62.51 H new ATOM 0 HG3 LYS A 25 28.076 5.063 -22.760 1.00 62.51 H new ATOM 0 HD2 LYS A 25 29.918 4.185 -21.522 1.00 11.45 H new ATOM 0 HD3 LYS A 25 29.181 2.807 -22.316 1.00 11.45 H new ATOM 0 HE2 LYS A 25 30.885 2.807 -24.056 1.00 23.14 H new ATOM 0 HE3 LYS A 25 31.548 4.323 -23.478 1.00 23.14 H new ATOM 0 HZ1 LYS A 25 32.866 2.449 -22.734 1.00 22.12 H new ATOM 0 HZ2 LYS A 25 32.163 3.230 -21.399 1.00 22.12 H new ATOM 0 HZ3 LYS A 25 31.521 1.761 -21.959 1.00 22.12 H new ATOM 391 N HIS A 26 25.175 4.097 -24.202 1.00 1.11 N ATOM 392 CA HIS A 26 24.025 4.740 -23.576 1.00 73.42 C ATOM 393 C HIS A 26 22.875 3.751 -23.409 1.00 55.14 C ATOM 394 O HIS A 26 22.032 3.905 -22.525 1.00 11.53 O ATOM 395 CB HIS A 26 23.567 5.937 -24.410 1.00 32.15 C ATOM 396 CG HIS A 26 24.498 7.108 -24.338 1.00 62.42 C ATOM 397 ND1 HIS A 26 24.879 7.835 -25.446 1.00 12.20 N ATOM 398 CD2 HIS A 26 25.125 7.677 -23.282 1.00 51.33 C ATOM 399 CE1 HIS A 26 25.701 8.801 -25.075 1.00 34.42 C ATOM 400 NE2 HIS A 26 25.866 8.727 -23.766 1.00 40.05 N ATOM 0 H HIS A 26 25.161 4.108 -25.222 1.00 1.11 H new ATOM 0 HA HIS A 26 24.327 5.089 -22.589 1.00 73.42 H new ATOM 0 HB2 HIS A 26 23.466 5.627 -25.450 1.00 32.15 H new ATOM 0 HB3 HIS A 26 22.578 6.248 -24.072 1.00 32.15 H new ATOM 0 HD2 HIS A 26 25.055 7.364 -22.251 1.00 51.33 H new ATOM 0 HE1 HIS A 26 26.160 9.527 -25.730 1.00 34.42 H new ATOM 0 HE2 HIS A 26 26.449 9.349 -23.206 1.00 40.05 H new ATOM 408 N THR A 27 22.845 2.735 -24.266 1.00 73.02 N ATOM 409 CA THR A 27 21.797 1.723 -24.215 1.00 65.32 C ATOM 410 C THR A 27 21.810 0.985 -22.881 1.00 43.03 C ATOM 411 O THR A 27 20.761 0.605 -22.363 1.00 21.05 O ATOM 412 CB THR A 27 21.949 0.699 -25.356 1.00 44.24 C ATOM 413 OG1 THR A 27 22.125 1.379 -26.604 1.00 55.33 O ATOM 414 CG2 THR A 27 20.731 -0.209 -25.434 1.00 45.15 C ATOM 0 H THR A 27 23.535 2.591 -25.004 1.00 73.02 H new ATOM 0 HA THR A 27 20.847 2.246 -24.329 1.00 65.32 H new ATOM 0 HB THR A 27 22.826 0.086 -25.150 1.00 44.24 H new ATOM 0 HG1 THR A 27 22.886 1.993 -26.537 1.00 55.33 H new ATOM 0 HG21 THR A 27 20.861 -0.923 -26.247 1.00 45.15 H new ATOM 0 HG22 THR A 27 20.617 -0.747 -24.493 1.00 45.15 H new ATOM 0 HG23 THR A 27 19.840 0.392 -25.618 1.00 45.15 H new ATOM 422 N GLN A 28 23.004 0.787 -22.331 1.00 70.24 N ATOM 423 CA GLN A 28 23.152 0.094 -21.057 1.00 11.11 C ATOM 424 C GLN A 28 22.927 1.049 -19.889 1.00 75.21 C ATOM 425 O GLN A 28 22.537 0.631 -18.799 1.00 60.33 O ATOM 426 CB GLN A 28 24.541 -0.538 -20.954 1.00 2.41 C ATOM 427 CG GLN A 28 25.652 0.472 -20.714 1.00 22.23 C ATOM 428 CD GLN A 28 25.845 0.789 -19.244 1.00 21.52 C ATOM 429 OE1 GLN A 28 25.506 -0.015 -18.374 1.00 42.31 O ATOM 430 NE2 GLN A 28 26.392 1.964 -18.958 1.00 43.21 N ATOM 0 H GLN A 28 23.882 1.097 -22.748 1.00 70.24 H new ATOM 0 HA GLN A 28 22.399 -0.692 -21.010 1.00 11.11 H new ATOM 0 HB2 GLN A 28 24.541 -1.265 -20.142 1.00 2.41 H new ATOM 0 HB3 GLN A 28 24.751 -1.086 -21.873 1.00 2.41 H new ATOM 0 HG2 GLN A 28 26.585 0.085 -21.124 1.00 22.23 H new ATOM 0 HG3 GLN A 28 25.425 1.392 -21.253 1.00 22.23 H new ATOM 0 HE21 GLN A 28 26.658 2.599 -19.710 1.00 43.21 H new ATOM 0 HE22 GLN A 28 26.547 2.232 -17.986 1.00 43.21 H new ATOM 439 N ALA A 29 23.175 2.333 -20.125 1.00 33.02 N ATOM 440 CA ALA A 29 22.997 3.347 -19.093 1.00 2.20 C ATOM 441 C ALA A 29 21.522 3.538 -18.759 1.00 33.03 C ATOM 442 O ALA A 29 21.133 3.514 -17.592 1.00 33.44 O ATOM 443 CB ALA A 29 23.615 4.665 -19.537 1.00 14.13 C ATOM 0 H ALA A 29 23.500 2.696 -21.021 1.00 33.02 H new ATOM 0 HA ALA A 29 23.505 3.005 -18.191 1.00 2.20 H new ATOM 0 HB1 ALA A 29 23.475 5.414 -18.757 1.00 14.13 H new ATOM 0 HB2 ALA A 29 24.681 4.524 -19.718 1.00 14.13 H new ATOM 0 HB3 ALA A 29 23.133 5.002 -20.454 1.00 14.13 H new ATOM 449 N GLU A 30 20.706 3.728 -19.791 1.00 14.43 N ATOM 450 CA GLU A 30 19.273 3.925 -19.605 1.00 32.05 C ATOM 451 C GLU A 30 18.654 2.744 -18.862 1.00 14.41 C ATOM 452 O GLU A 30 17.691 2.904 -18.112 1.00 41.25 O ATOM 453 CB GLU A 30 18.581 4.111 -20.957 1.00 30.43 C ATOM 454 CG GLU A 30 18.482 2.831 -21.770 1.00 50.24 C ATOM 455 CD GLU A 30 18.469 3.090 -23.264 1.00 61.35 C ATOM 456 OE1 GLU A 30 18.386 4.270 -23.662 1.00 41.33 O ATOM 457 OE2 GLU A 30 18.542 2.110 -24.036 1.00 3.20 O ATOM 0 H GLU A 30 21.012 3.750 -20.764 1.00 14.43 H new ATOM 0 HA GLU A 30 19.130 4.824 -19.006 1.00 32.05 H new ATOM 0 HB2 GLU A 30 17.578 4.505 -20.792 1.00 30.43 H new ATOM 0 HB3 GLU A 30 19.126 4.858 -21.535 1.00 30.43 H new ATOM 0 HG2 GLU A 30 19.323 2.183 -21.524 1.00 50.24 H new ATOM 0 HG3 GLU A 30 17.575 2.296 -21.490 1.00 50.24 H new ATOM 464 N GLY A 31 19.214 1.558 -19.077 1.00 32.21 N ATOM 465 CA GLY A 31 18.704 0.367 -18.422 1.00 50.21 C ATOM 466 C GLY A 31 18.871 0.417 -16.916 1.00 50.13 C ATOM 467 O GLY A 31 18.162 -0.271 -16.182 1.00 61.40 O ATOM 0 H GLY A 31 20.012 1.400 -19.693 1.00 32.21 H new ATOM 0 HA2 GLY A 31 17.648 0.247 -18.664 1.00 50.21 H new ATOM 0 HA3 GLY A 31 19.222 -0.509 -18.813 1.00 50.21 H new ATOM 471 N LYS A 32 19.812 1.233 -16.454 1.00 23.22 N ATOM 472 CA LYS A 32 20.072 1.371 -15.026 1.00 31.54 C ATOM 473 C LYS A 32 19.022 2.258 -14.365 1.00 31.01 C ATOM 474 O LYS A 32 18.665 2.057 -13.204 1.00 23.32 O ATOM 475 CB LYS A 32 21.467 1.954 -14.794 1.00 4.30 C ATOM 476 CG LYS A 32 22.593 1.008 -15.173 1.00 63.12 C ATOM 477 CD LYS A 32 22.961 0.088 -14.021 1.00 13.33 C ATOM 478 CE LYS A 32 24.015 0.715 -13.122 1.00 3.23 C ATOM 479 NZ LYS A 32 23.405 1.532 -12.037 1.00 13.32 N ATOM 0 H LYS A 32 20.408 1.809 -17.048 1.00 23.22 H new ATOM 0 HA LYS A 32 20.020 0.380 -14.576 1.00 31.54 H new ATOM 0 HB2 LYS A 32 21.567 2.874 -15.370 1.00 4.30 H new ATOM 0 HB3 LYS A 32 21.569 2.223 -13.743 1.00 4.30 H new ATOM 0 HG2 LYS A 32 22.293 0.411 -16.035 1.00 63.12 H new ATOM 0 HG3 LYS A 32 23.468 1.584 -15.473 1.00 63.12 H new ATOM 0 HD2 LYS A 32 22.070 -0.138 -13.436 1.00 13.33 H new ATOM 0 HD3 LYS A 32 23.333 -0.858 -14.414 1.00 13.33 H new ATOM 0 HE2 LYS A 32 24.631 -0.070 -12.683 1.00 3.23 H new ATOM 0 HE3 LYS A 32 24.676 1.342 -13.720 1.00 3.23 H new ATOM 0 HZ1 LYS A 32 24.032 1.532 -11.208 1.00 13.32 H new ATOM 0 HZ2 LYS A 32 23.272 2.508 -12.370 1.00 13.32 H new ATOM 0 HZ3 LYS A 32 22.484 1.128 -11.774 1.00 13.32 H new ATOM 493 N LYS A 33 18.529 3.240 -15.112 1.00 31.01 N ATOM 494 CA LYS A 33 17.517 4.157 -14.600 1.00 44.15 C ATOM 495 C LYS A 33 16.303 3.394 -14.082 1.00 73.45 C ATOM 496 O LYS A 33 15.791 3.682 -13.000 1.00 14.20 O ATOM 497 CB LYS A 33 17.088 5.137 -15.695 1.00 3.45 C ATOM 498 CG LYS A 33 16.594 6.470 -15.158 1.00 21.42 C ATOM 499 CD LYS A 33 15.113 6.421 -14.823 1.00 32.10 C ATOM 500 CE LYS A 33 14.544 7.815 -14.607 1.00 21.15 C ATOM 501 NZ LYS A 33 14.307 8.523 -15.895 1.00 11.33 N ATOM 0 H LYS A 33 18.814 3.421 -16.074 1.00 31.01 H new ATOM 0 HA LYS A 33 17.953 4.715 -13.771 1.00 44.15 H new ATOM 0 HB2 LYS A 33 17.931 5.314 -16.363 1.00 3.45 H new ATOM 0 HB3 LYS A 33 16.298 4.680 -16.291 1.00 3.45 H new ATOM 0 HG2 LYS A 33 17.161 6.737 -14.266 1.00 21.42 H new ATOM 0 HG3 LYS A 33 16.775 7.251 -15.897 1.00 21.42 H new ATOM 0 HD2 LYS A 33 14.572 5.927 -15.631 1.00 32.10 H new ATOM 0 HD3 LYS A 33 14.962 5.822 -13.925 1.00 32.10 H new ATOM 0 HE2 LYS A 33 13.607 7.743 -14.054 1.00 21.15 H new ATOM 0 HE3 LYS A 33 15.232 8.397 -13.994 1.00 21.15 H new ATOM 0 HZ1 LYS A 33 13.841 9.434 -15.710 1.00 11.33 H new ATOM 0 HZ2 LYS A 33 15.216 8.689 -16.372 1.00 11.33 H new ATOM 0 HZ3 LYS A 33 13.698 7.941 -16.504 1.00 11.33 H new ATOM 515 N LEU A 34 15.847 2.418 -14.860 1.00 40.15 N ATOM 516 CA LEU A 34 14.693 1.611 -14.479 1.00 51.33 C ATOM 517 C LEU A 34 15.118 0.424 -13.622 1.00 70.50 C ATOM 518 O LEU A 34 14.474 0.103 -12.624 1.00 74.34 O ATOM 519 CB LEU A 34 13.957 1.118 -15.726 1.00 72.41 C ATOM 520 CG LEU A 34 13.094 2.152 -16.450 1.00 21.01 C ATOM 521 CD1 LEU A 34 12.486 1.553 -17.708 1.00 73.13 C ATOM 522 CD2 LEU A 34 12.005 2.678 -15.527 1.00 34.33 C ATOM 0 H LEU A 34 16.259 2.166 -15.759 1.00 40.15 H new ATOM 0 HA LEU A 34 14.021 2.237 -13.892 1.00 51.33 H new ATOM 0 HB2 LEU A 34 14.695 0.733 -16.430 1.00 72.41 H new ATOM 0 HB3 LEU A 34 13.321 0.280 -15.440 1.00 72.41 H new ATOM 0 HG LEU A 34 13.730 2.988 -16.741 1.00 21.01 H new ATOM 0 HD11 LEU A 34 11.875 2.303 -18.210 1.00 73.13 H new ATOM 0 HD12 LEU A 34 13.282 1.227 -18.377 1.00 73.13 H new ATOM 0 HD13 LEU A 34 11.864 0.699 -17.440 1.00 73.13 H new ATOM 0 HD21 LEU A 34 11.401 3.413 -16.059 1.00 34.33 H new ATOM 0 HD22 LEU A 34 11.371 1.852 -15.204 1.00 34.33 H new ATOM 0 HD23 LEU A 34 12.462 3.147 -14.655 1.00 34.33 H new ATOM 534 N GLY A 35 16.209 -0.225 -14.017 1.00 44.15 N ATOM 535 CA GLY A 35 16.703 -1.369 -13.273 1.00 43.32 C ATOM 536 C GLY A 35 16.509 -2.674 -14.019 1.00 50.33 C ATOM 537 O GLY A 35 16.172 -3.696 -13.420 1.00 55.22 O ATOM 0 H GLY A 35 16.760 0.021 -14.839 1.00 44.15 H new ATOM 0 HA2 GLY A 35 17.763 -1.230 -13.060 1.00 43.32 H new ATOM 0 HA3 GLY A 35 16.190 -1.423 -12.313 1.00 43.32 H new ATOM 541 N LEU A 36 16.720 -2.641 -15.330 1.00 42.14 N ATOM 542 CA LEU A 36 16.565 -3.830 -16.160 1.00 73.45 C ATOM 543 C LEU A 36 17.923 -4.389 -16.571 1.00 22.51 C ATOM 544 O LEU A 36 18.939 -3.698 -16.496 1.00 22.32 O ATOM 545 CB LEU A 36 15.738 -3.503 -17.405 1.00 71.12 C ATOM 546 CG LEU A 36 14.444 -2.724 -17.166 1.00 21.11 C ATOM 547 CD1 LEU A 36 13.853 -2.254 -18.486 1.00 15.54 C ATOM 548 CD2 LEU A 36 13.441 -3.577 -16.404 1.00 31.53 C ATOM 0 H LEU A 36 16.999 -1.804 -15.841 1.00 42.14 H new ATOM 0 HA LEU A 36 16.044 -4.586 -15.573 1.00 73.45 H new ATOM 0 HB2 LEU A 36 16.362 -2.930 -18.091 1.00 71.12 H new ATOM 0 HB3 LEU A 36 15.488 -4.438 -17.907 1.00 71.12 H new ATOM 0 HG LEU A 36 14.677 -1.847 -16.563 1.00 21.11 H new ATOM 0 HD11 LEU A 36 12.933 -1.702 -18.296 1.00 15.54 H new ATOM 0 HD12 LEU A 36 14.567 -1.606 -18.994 1.00 15.54 H new ATOM 0 HD13 LEU A 36 13.635 -3.117 -19.115 1.00 15.54 H new ATOM 0 HD21 LEU A 36 12.526 -3.006 -16.243 1.00 31.53 H new ATOM 0 HD22 LEU A 36 13.213 -4.473 -16.981 1.00 31.53 H new ATOM 0 HD23 LEU A 36 13.864 -3.863 -15.441 1.00 31.53 H new ATOM 560 N VAL A 37 17.933 -5.645 -17.007 1.00 64.12 N ATOM 561 CA VAL A 37 19.166 -6.296 -17.433 1.00 63.41 C ATOM 562 C VAL A 37 19.065 -6.774 -18.877 1.00 41.45 C ATOM 563 O VAL A 37 18.054 -6.558 -19.544 1.00 71.01 O ATOM 564 CB VAL A 37 19.508 -7.497 -16.530 1.00 52.32 C ATOM 565 CG1 VAL A 37 19.714 -7.043 -15.093 1.00 53.42 C ATOM 566 CG2 VAL A 37 18.416 -8.553 -16.613 1.00 41.21 C ATOM 0 H VAL A 37 17.101 -6.232 -17.074 1.00 64.12 H new ATOM 0 HA VAL A 37 19.959 -5.553 -17.354 1.00 63.41 H new ATOM 0 HB VAL A 37 20.439 -7.941 -16.882 1.00 52.32 H new ATOM 0 HG11 VAL A 37 19.955 -7.905 -14.470 1.00 53.42 H new ATOM 0 HG12 VAL A 37 20.533 -6.325 -15.052 1.00 53.42 H new ATOM 0 HG13 VAL A 37 18.802 -6.573 -14.726 1.00 53.42 H new ATOM 0 HG21 VAL A 37 18.674 -9.394 -15.969 1.00 41.21 H new ATOM 0 HG22 VAL A 37 17.469 -8.123 -16.287 1.00 41.21 H new ATOM 0 HG23 VAL A 37 18.322 -8.899 -17.642 1.00 41.21 H new ATOM 576 N GLY A 38 20.121 -7.424 -19.356 1.00 25.55 N ATOM 577 CA GLY A 38 20.131 -7.923 -20.718 1.00 44.25 C ATOM 578 C GLY A 38 21.481 -7.753 -21.388 1.00 74.11 C ATOM 579 O GLY A 38 22.521 -7.860 -20.739 1.00 31.23 O ATOM 0 H GLY A 38 20.970 -7.614 -18.824 1.00 25.55 H new ATOM 0 HA2 GLY A 38 19.860 -8.979 -20.717 1.00 44.25 H new ATOM 0 HA3 GLY A 38 19.372 -7.399 -21.299 1.00 44.25 H new ATOM 583 N TRP A 39 21.464 -7.490 -22.690 1.00 1.54 N ATOM 584 CA TRP A 39 22.697 -7.307 -23.448 1.00 14.42 C ATOM 585 C TRP A 39 22.417 -6.630 -24.785 1.00 45.23 C ATOM 586 O TRP A 39 21.321 -6.745 -25.333 1.00 41.53 O ATOM 587 CB TRP A 39 23.383 -8.654 -23.677 1.00 41.04 C ATOM 588 CG TRP A 39 22.653 -9.535 -24.645 1.00 71.40 C ATOM 589 CD1 TRP A 39 22.695 -9.467 -26.008 1.00 62.44 C ATOM 590 CD2 TRP A 39 21.770 -10.616 -24.322 1.00 43.44 C ATOM 591 NE1 TRP A 39 21.892 -10.440 -26.553 1.00 31.33 N ATOM 592 CE2 TRP A 39 21.314 -11.159 -25.540 1.00 1.55 C ATOM 593 CE3 TRP A 39 21.323 -11.178 -23.124 1.00 74.32 C ATOM 594 CZ2 TRP A 39 20.432 -12.235 -25.590 1.00 42.30 C ATOM 595 CZ3 TRP A 39 20.447 -12.246 -23.176 1.00 61.20 C ATOM 596 CH2 TRP A 39 20.010 -12.766 -24.402 1.00 0.03 C ATOM 0 H TRP A 39 20.611 -7.399 -23.242 1.00 1.54 H new ATOM 0 HA TRP A 39 23.360 -6.664 -22.869 1.00 14.42 H new ATOM 0 HB2 TRP A 39 24.394 -8.481 -24.046 1.00 41.04 H new ATOM 0 HB3 TRP A 39 23.476 -9.173 -22.723 1.00 41.04 H new ATOM 0 HD1 TRP A 39 23.274 -8.753 -26.575 1.00 62.44 H new ATOM 0 HE1 TRP A 39 21.749 -10.601 -27.550 1.00 31.33 H new ATOM 0 HE3 TRP A 39 21.656 -10.785 -22.175 1.00 74.32 H new ATOM 0 HZ2 TRP A 39 20.093 -12.636 -26.534 1.00 42.30 H new ATOM 0 HZ3 TRP A 39 20.093 -12.687 -22.256 1.00 61.20 H new ATOM 0 HH2 TRP A 39 19.327 -13.602 -24.409 1.00 0.03 H new ATOM 607 N VAL A 40 23.416 -5.924 -25.307 1.00 21.25 N ATOM 608 CA VAL A 40 23.278 -5.230 -26.581 1.00 51.12 C ATOM 609 C VAL A 40 24.411 -5.597 -27.533 1.00 2.14 C ATOM 610 O VAL A 40 25.567 -5.704 -27.124 1.00 1.42 O ATOM 611 CB VAL A 40 23.258 -3.702 -26.389 1.00 3.12 C ATOM 612 CG1 VAL A 40 22.923 -3.003 -27.697 1.00 75.04 C ATOM 613 CG2 VAL A 40 22.270 -3.315 -25.299 1.00 73.13 C ATOM 0 H VAL A 40 24.330 -5.818 -24.866 1.00 21.25 H new ATOM 0 HA VAL A 40 22.328 -5.547 -27.012 1.00 51.12 H new ATOM 0 HB VAL A 40 24.252 -3.380 -26.078 1.00 3.12 H new ATOM 0 HG11 VAL A 40 22.914 -1.924 -27.541 1.00 75.04 H new ATOM 0 HG12 VAL A 40 23.673 -3.255 -28.447 1.00 75.04 H new ATOM 0 HG13 VAL A 40 21.942 -3.328 -28.042 1.00 75.04 H new ATOM 0 HG21 VAL A 40 22.269 -2.232 -25.177 1.00 73.13 H new ATOM 0 HG22 VAL A 40 21.271 -3.650 -25.578 1.00 73.13 H new ATOM 0 HG23 VAL A 40 22.561 -3.786 -24.360 1.00 73.13 H new ATOM 623 N GLN A 41 24.071 -5.788 -28.803 1.00 63.21 N ATOM 624 CA GLN A 41 25.061 -6.144 -29.813 1.00 42.40 C ATOM 625 C GLN A 41 24.474 -6.027 -31.216 1.00 31.03 C ATOM 626 O GLN A 41 23.323 -6.392 -31.449 1.00 73.53 O ATOM 627 CB GLN A 41 25.572 -7.566 -29.578 1.00 25.00 C ATOM 628 CG GLN A 41 26.923 -7.841 -30.220 1.00 73.00 C ATOM 629 CD GLN A 41 27.238 -9.321 -30.304 1.00 63.41 C ATOM 630 OE1 GLN A 41 26.384 -10.166 -30.034 1.00 61.32 O ATOM 631 NE2 GLN A 41 28.470 -9.644 -30.680 1.00 43.11 N ATOM 0 H GLN A 41 23.118 -5.702 -29.157 1.00 63.21 H new ATOM 0 HA GLN A 41 25.895 -5.447 -29.729 1.00 42.40 H new ATOM 0 HB2 GLN A 41 25.646 -7.744 -28.505 1.00 25.00 H new ATOM 0 HB3 GLN A 41 24.842 -8.275 -29.969 1.00 25.00 H new ATOM 0 HG2 GLN A 41 26.939 -7.413 -31.222 1.00 73.00 H new ATOM 0 HG3 GLN A 41 27.702 -7.339 -29.647 1.00 73.00 H new ATOM 0 HE21 GLN A 41 29.146 -8.911 -30.894 1.00 43.11 H new ATOM 0 HE22 GLN A 41 28.740 -10.625 -30.754 1.00 43.11 H new ATOM 640 N ASN A 42 25.273 -5.515 -32.146 1.00 3.22 N ATOM 641 CA ASN A 42 24.832 -5.349 -33.526 1.00 31.10 C ATOM 642 C ASN A 42 25.021 -6.640 -34.316 1.00 70.33 C ATOM 643 O ASN A 42 25.639 -7.591 -33.836 1.00 34.31 O ATOM 644 CB ASN A 42 25.603 -4.210 -34.196 1.00 74.05 C ATOM 645 CG ASN A 42 27.052 -4.570 -34.461 1.00 51.21 C ATOM 646 OD1 ASN A 42 27.353 -5.369 -35.347 1.00 73.45 O ATOM 647 ND2 ASN A 42 27.958 -3.979 -33.691 1.00 21.23 N ATOM 0 H ASN A 42 26.229 -5.208 -31.969 1.00 3.22 H new ATOM 0 HA ASN A 42 23.770 -5.103 -33.515 1.00 31.10 H new ATOM 0 HB2 ASN A 42 25.118 -3.951 -35.137 1.00 74.05 H new ATOM 0 HB3 ASN A 42 25.562 -3.325 -33.562 1.00 74.05 H new ATOM 0 HD21 ASN A 42 28.949 -4.181 -33.822 1.00 21.23 H new ATOM 0 HD22 ASN A 42 27.663 -3.323 -32.968 1.00 21.23 H new ATOM 654 N THR A 43 24.485 -6.667 -35.533 1.00 22.02 N ATOM 655 CA THR A 43 24.594 -7.841 -36.390 1.00 51.41 C ATOM 656 C THR A 43 25.193 -7.479 -37.744 1.00 43.42 C ATOM 657 O THR A 43 25.519 -6.319 -38.000 1.00 33.13 O ATOM 658 CB THR A 43 23.222 -8.505 -36.610 1.00 55.30 C ATOM 659 OG1 THR A 43 22.306 -7.562 -37.179 1.00 45.31 O ATOM 660 CG2 THR A 43 22.661 -9.035 -35.299 1.00 71.42 C ATOM 0 H THR A 43 23.971 -5.889 -35.947 1.00 22.02 H new ATOM 0 HA THR A 43 25.252 -8.544 -35.880 1.00 51.41 H new ATOM 0 HB THR A 43 23.354 -9.342 -37.296 1.00 55.30 H new ATOM 0 HG1 THR A 43 22.184 -6.811 -36.561 1.00 45.31 H new ATOM 0 HG21 THR A 43 21.692 -9.500 -35.479 1.00 71.42 H new ATOM 0 HG22 THR A 43 23.346 -9.774 -34.883 1.00 71.42 H new ATOM 0 HG23 THR A 43 22.543 -8.212 -34.594 1.00 71.42 H new ATOM 668 N ASP A 44 25.336 -8.477 -38.609 1.00 21.25 N ATOM 669 CA ASP A 44 25.895 -8.263 -39.938 1.00 62.33 C ATOM 670 C ASP A 44 24.788 -8.148 -40.981 1.00 52.22 C ATOM 671 O ASP A 44 24.994 -8.451 -42.156 1.00 44.14 O ATOM 672 CB ASP A 44 26.842 -9.406 -40.307 1.00 23.44 C ATOM 673 CG ASP A 44 28.161 -9.328 -39.563 1.00 31.35 C ATOM 674 OD1 ASP A 44 29.046 -8.564 -40.002 1.00 31.05 O ATOM 675 OD2 ASP A 44 28.307 -10.031 -38.541 1.00 5.43 O ATOM 0 H ASP A 44 25.072 -9.443 -38.413 1.00 21.25 H new ATOM 0 HA ASP A 44 26.455 -7.328 -39.923 1.00 62.33 H new ATOM 0 HB2 ASP A 44 26.360 -10.359 -40.087 1.00 23.44 H new ATOM 0 HB3 ASP A 44 27.032 -9.385 -41.380 1.00 23.44 H new ATOM 680 N ARG A 45 23.613 -7.709 -40.543 1.00 14.52 N ATOM 681 CA ARG A 45 22.472 -7.555 -41.438 1.00 20.31 C ATOM 682 C ARG A 45 22.008 -6.102 -41.483 1.00 70.43 C ATOM 683 O ARG A 45 21.576 -5.610 -42.525 1.00 32.32 O ATOM 684 CB ARG A 45 21.320 -8.456 -40.989 1.00 72.01 C ATOM 685 CG ARG A 45 21.517 -9.920 -41.345 1.00 63.42 C ATOM 686 CD ARG A 45 20.191 -10.660 -41.417 1.00 34.11 C ATOM 687 NE ARG A 45 19.453 -10.585 -40.159 1.00 2.45 N ATOM 688 CZ ARG A 45 19.747 -11.316 -39.089 1.00 60.35 C ATOM 689 NH1 ARG A 45 20.758 -12.173 -39.126 1.00 71.42 N ATOM 690 NH2 ARG A 45 19.029 -11.191 -37.981 1.00 3.05 N ATOM 0 H ARG A 45 23.426 -7.453 -39.573 1.00 14.52 H new ATOM 0 HA ARG A 45 22.785 -7.849 -42.440 1.00 20.31 H new ATOM 0 HB2 ARG A 45 21.200 -8.367 -39.909 1.00 72.01 H new ATOM 0 HB3 ARG A 45 20.395 -8.102 -41.443 1.00 72.01 H new ATOM 0 HG2 ARG A 45 22.030 -9.996 -42.304 1.00 63.42 H new ATOM 0 HG3 ARG A 45 22.159 -10.393 -40.602 1.00 63.42 H new ATOM 0 HD2 ARG A 45 19.584 -10.239 -42.219 1.00 34.11 H new ATOM 0 HD3 ARG A 45 20.372 -11.705 -41.669 1.00 34.11 H new ATOM 0 HE ARG A 45 18.669 -9.936 -40.098 1.00 2.45 H new ATOM 0 HH11 ARG A 45 21.312 -12.272 -39.977 1.00 71.42 H new ATOM 0 HH12 ARG A 45 20.982 -12.733 -38.304 1.00 71.42 H new ATOM 0 HH21 ARG A 45 18.250 -10.533 -37.950 1.00 3.05 H new ATOM 0 HH22 ARG A 45 19.256 -11.753 -37.160 1.00 3.05 H new ATOM 704 N GLY A 46 22.100 -5.421 -40.345 1.00 44.13 N ATOM 705 CA GLY A 46 21.686 -4.032 -40.277 1.00 11.23 C ATOM 706 C GLY A 46 20.705 -3.774 -39.150 1.00 24.32 C ATOM 707 O GLY A 46 19.809 -2.940 -39.275 1.00 14.43 O ATOM 0 H GLY A 46 22.454 -5.806 -39.469 1.00 44.13 H new ATOM 0 HA2 GLY A 46 22.564 -3.401 -40.142 1.00 11.23 H new ATOM 0 HA3 GLY A 46 21.230 -3.745 -41.224 1.00 11.23 H new ATOM 711 N THR A 47 20.874 -4.494 -38.045 1.00 33.23 N ATOM 712 CA THR A 47 19.995 -4.342 -36.892 1.00 51.21 C ATOM 713 C THR A 47 20.747 -4.592 -35.590 1.00 63.42 C ATOM 714 O THR A 47 21.953 -4.842 -35.596 1.00 73.22 O ATOM 715 CB THR A 47 18.794 -5.303 -36.971 1.00 14.33 C ATOM 716 OG1 THR A 47 19.251 -6.659 -36.979 1.00 22.50 O ATOM 717 CG2 THR A 47 17.966 -5.034 -38.218 1.00 41.45 C ATOM 0 H THR A 47 21.612 -5.188 -37.924 1.00 33.23 H new ATOM 0 HA THR A 47 19.631 -3.315 -36.906 1.00 51.21 H new ATOM 0 HB THR A 47 18.167 -5.137 -36.095 1.00 14.33 H new ATOM 0 HG1 THR A 47 20.227 -6.675 -37.065 1.00 22.50 H new ATOM 0 HG21 THR A 47 17.124 -5.725 -38.252 1.00 41.45 H new ATOM 0 HG22 THR A 47 17.594 -4.010 -38.194 1.00 41.45 H new ATOM 0 HG23 THR A 47 18.586 -5.174 -39.104 1.00 41.45 H new ATOM 725 N VAL A 48 20.028 -4.525 -34.474 1.00 43.32 N ATOM 726 CA VAL A 48 20.628 -4.746 -33.164 1.00 21.22 C ATOM 727 C VAL A 48 19.738 -5.627 -32.294 1.00 64.31 C ATOM 728 O VAL A 48 18.638 -5.230 -31.913 1.00 51.21 O ATOM 729 CB VAL A 48 20.886 -3.416 -32.432 1.00 41.54 C ATOM 730 CG1 VAL A 48 21.481 -3.669 -31.056 1.00 24.31 C ATOM 731 CG2 VAL A 48 21.797 -2.521 -33.260 1.00 21.32 C ATOM 0 H VAL A 48 19.029 -4.319 -34.451 1.00 43.32 H new ATOM 0 HA VAL A 48 21.580 -5.249 -33.333 1.00 21.22 H new ATOM 0 HB VAL A 48 19.933 -2.904 -32.300 1.00 41.54 H new ATOM 0 HG11 VAL A 48 21.656 -2.717 -30.555 1.00 24.31 H new ATOM 0 HG12 VAL A 48 20.789 -4.269 -30.465 1.00 24.31 H new ATOM 0 HG13 VAL A 48 22.425 -4.203 -31.161 1.00 24.31 H new ATOM 0 HG21 VAL A 48 21.969 -1.585 -32.728 1.00 21.32 H new ATOM 0 HG22 VAL A 48 22.749 -3.025 -33.425 1.00 21.32 H new ATOM 0 HG23 VAL A 48 21.326 -2.311 -34.220 1.00 21.32 H new ATOM 741 N GLN A 49 20.224 -6.825 -31.984 1.00 34.23 N ATOM 742 CA GLN A 49 19.472 -7.763 -31.158 1.00 55.05 C ATOM 743 C GLN A 49 19.549 -7.375 -29.686 1.00 33.25 C ATOM 744 O GLN A 49 20.481 -7.759 -28.980 1.00 52.13 O ATOM 745 CB GLN A 49 20.002 -9.185 -31.352 1.00 50.43 C ATOM 746 CG GLN A 49 19.727 -9.753 -32.735 1.00 20.41 C ATOM 747 CD GLN A 49 20.292 -11.148 -32.915 1.00 64.32 C ATOM 748 OE1 GLN A 49 21.472 -11.390 -32.659 1.00 23.41 O ATOM 749 NE2 GLN A 49 19.451 -12.076 -33.358 1.00 45.42 N ATOM 0 H GLN A 49 21.134 -7.169 -32.292 1.00 34.23 H new ATOM 0 HA GLN A 49 18.428 -7.727 -31.470 1.00 55.05 H new ATOM 0 HB2 GLN A 49 21.077 -9.191 -31.173 1.00 50.43 H new ATOM 0 HB3 GLN A 49 19.551 -9.837 -30.604 1.00 50.43 H new ATOM 0 HG2 GLN A 49 18.651 -9.776 -32.907 1.00 20.41 H new ATOM 0 HG3 GLN A 49 20.156 -9.091 -33.487 1.00 20.41 H new ATOM 0 HE21 GLN A 49 18.481 -11.832 -33.558 1.00 45.42 H new ATOM 0 HE22 GLN A 49 19.775 -13.033 -33.498 1.00 45.42 H new ATOM 758 N GLY A 50 18.562 -6.611 -29.227 1.00 52.12 N ATOM 759 CA GLY A 50 18.537 -6.183 -27.841 1.00 24.44 C ATOM 760 C GLY A 50 17.433 -6.853 -27.047 1.00 2.22 C ATOM 761 O GLY A 50 16.324 -7.039 -27.547 1.00 33.21 O ATOM 0 H GLY A 50 17.779 -6.281 -29.791 1.00 52.12 H new ATOM 0 HA2 GLY A 50 19.499 -6.404 -27.378 1.00 24.44 H new ATOM 0 HA3 GLY A 50 18.405 -5.102 -27.800 1.00 24.44 H new ATOM 765 N LYS A 51 17.737 -7.217 -25.806 1.00 35.44 N ATOM 766 CA LYS A 51 16.762 -7.871 -24.940 1.00 1.22 C ATOM 767 C LYS A 51 16.466 -7.016 -23.712 1.00 21.04 C ATOM 768 O LYS A 51 17.339 -6.304 -23.213 1.00 21.32 O ATOM 769 CB LYS A 51 17.276 -9.246 -24.506 1.00 14.52 C ATOM 770 CG LYS A 51 16.424 -9.902 -23.433 1.00 2.11 C ATOM 771 CD LYS A 51 16.994 -11.247 -23.015 1.00 33.15 C ATOM 772 CE LYS A 51 16.623 -12.341 -24.004 1.00 32.43 C ATOM 773 NZ LYS A 51 16.863 -13.700 -23.444 1.00 31.15 N ATOM 0 H LYS A 51 18.651 -7.070 -25.377 1.00 35.44 H new ATOM 0 HA LYS A 51 15.838 -7.997 -25.505 1.00 1.22 H new ATOM 0 HB2 LYS A 51 17.317 -9.901 -25.376 1.00 14.52 H new ATOM 0 HB3 LYS A 51 18.296 -9.143 -24.136 1.00 14.52 H new ATOM 0 HG2 LYS A 51 16.362 -9.246 -22.565 1.00 2.11 H new ATOM 0 HG3 LYS A 51 15.408 -10.036 -23.805 1.00 2.11 H new ATOM 0 HD2 LYS A 51 18.079 -11.176 -22.940 1.00 33.15 H new ATOM 0 HD3 LYS A 51 16.622 -11.509 -22.024 1.00 33.15 H new ATOM 0 HE2 LYS A 51 15.573 -12.242 -24.278 1.00 32.43 H new ATOM 0 HE3 LYS A 51 17.204 -12.217 -24.918 1.00 32.43 H new ATOM 0 HZ1 LYS A 51 16.712 -14.413 -24.186 1.00 31.15 H new ATOM 0 HZ2 LYS A 51 17.841 -13.764 -23.096 1.00 31.15 H new ATOM 0 HZ3 LYS A 51 16.204 -13.873 -22.658 1.00 31.15 H new ATOM 787 N LEU A 52 15.231 -7.092 -23.228 1.00 3.54 N ATOM 788 CA LEU A 52 14.821 -6.326 -22.056 1.00 14.41 C ATOM 789 C LEU A 52 14.351 -7.251 -20.938 1.00 55.20 C ATOM 790 O LEU A 52 13.180 -7.626 -20.882 1.00 71.21 O ATOM 791 CB LEU A 52 13.705 -5.347 -22.427 1.00 73.41 C ATOM 792 CG LEU A 52 14.091 -4.220 -23.386 1.00 23.54 C ATOM 793 CD1 LEU A 52 12.920 -3.273 -23.596 1.00 23.14 C ATOM 794 CD2 LEU A 52 15.303 -3.465 -22.860 1.00 21.15 C ATOM 0 H LEU A 52 14.497 -7.676 -23.629 1.00 3.54 H new ATOM 0 HA LEU A 52 15.684 -5.765 -21.699 1.00 14.41 H new ATOM 0 HB2 LEU A 52 12.887 -5.912 -22.873 1.00 73.41 H new ATOM 0 HB3 LEU A 52 13.321 -4.901 -21.510 1.00 73.41 H new ATOM 0 HG LEU A 52 14.352 -4.660 -24.348 1.00 23.54 H new ATOM 0 HD11 LEU A 52 13.214 -2.478 -24.281 1.00 23.14 H new ATOM 0 HD12 LEU A 52 12.078 -3.823 -24.017 1.00 23.14 H new ATOM 0 HD13 LEU A 52 12.627 -2.839 -22.640 1.00 23.14 H new ATOM 0 HD21 LEU A 52 15.564 -2.667 -23.555 1.00 21.15 H new ATOM 0 HD22 LEU A 52 15.070 -3.036 -21.885 1.00 21.15 H new ATOM 0 HD23 LEU A 52 16.145 -4.151 -22.763 1.00 21.15 H new ATOM 806 N GLN A 53 15.271 -7.612 -20.050 1.00 33.04 N ATOM 807 CA GLN A 53 14.949 -8.492 -18.932 1.00 41.12 C ATOM 808 C GLN A 53 14.636 -7.685 -17.677 1.00 12.14 C ATOM 809 O GLN A 53 15.397 -6.799 -17.290 1.00 31.22 O ATOM 810 CB GLN A 53 16.110 -9.451 -18.660 1.00 54.33 C ATOM 811 CG GLN A 53 16.084 -10.698 -19.528 1.00 62.35 C ATOM 812 CD GLN A 53 17.432 -11.389 -19.597 1.00 32.34 C ATOM 813 OE1 GLN A 53 18.458 -10.752 -19.837 1.00 33.21 O ATOM 814 NE2 GLN A 53 17.436 -12.700 -19.385 1.00 25.21 N ATOM 0 H GLN A 53 16.245 -7.309 -20.082 1.00 33.04 H new ATOM 0 HA GLN A 53 14.065 -9.070 -19.200 1.00 41.12 H new ATOM 0 HB2 GLN A 53 17.051 -8.925 -18.822 1.00 54.33 H new ATOM 0 HB3 GLN A 53 16.087 -9.748 -17.611 1.00 54.33 H new ATOM 0 HG2 GLN A 53 15.343 -11.394 -19.135 1.00 62.35 H new ATOM 0 HG3 GLN A 53 15.766 -10.429 -20.535 1.00 62.35 H new ATOM 0 HE21 GLN A 53 16.562 -13.188 -19.189 1.00 25.21 H new ATOM 0 HE22 GLN A 53 18.313 -13.219 -19.418 1.00 25.21 H new ATOM 823 N GLY A 54 13.509 -7.998 -17.044 1.00 11.52 N ATOM 824 CA GLY A 54 13.114 -7.292 -15.839 1.00 5.33 C ATOM 825 C GLY A 54 11.612 -7.275 -15.642 1.00 54.12 C ATOM 826 O GLY A 54 10.863 -7.941 -16.358 1.00 11.42 O ATOM 0 H GLY A 54 12.863 -8.728 -17.344 1.00 11.52 H new ATOM 0 HA2 GLY A 54 13.585 -7.762 -14.976 1.00 5.33 H new ATOM 0 HA3 GLY A 54 13.483 -6.267 -15.885 1.00 5.33 H new ATOM 830 N PRO A 55 11.149 -6.500 -14.650 1.00 2.21 N ATOM 831 CA PRO A 55 9.722 -6.381 -14.337 1.00 71.44 C ATOM 832 C PRO A 55 8.953 -5.627 -15.417 1.00 32.33 C ATOM 833 O PRO A 55 9.409 -4.596 -15.911 1.00 64.25 O ATOM 834 CB PRO A 55 9.710 -5.595 -13.024 1.00 44.12 C ATOM 835 CG PRO A 55 10.983 -4.820 -13.036 1.00 33.04 C ATOM 836 CD PRO A 55 11.984 -5.679 -13.757 1.00 2.00 C ATOM 0 HA PRO A 55 9.237 -7.355 -14.270 1.00 71.44 H new ATOM 0 HB2 PRO A 55 8.845 -4.935 -12.966 1.00 44.12 H new ATOM 0 HB3 PRO A 55 9.660 -6.262 -12.163 1.00 44.12 H new ATOM 0 HG2 PRO A 55 10.853 -3.864 -13.543 1.00 33.04 H new ATOM 0 HG3 PRO A 55 11.316 -4.601 -12.022 1.00 33.04 H new ATOM 0 HD2 PRO A 55 12.700 -5.078 -14.317 1.00 2.00 H new ATOM 0 HD3 PRO A 55 12.558 -6.295 -13.064 1.00 2.00 H new ATOM 844 N ILE A 56 7.784 -6.147 -15.777 1.00 24.42 N ATOM 845 CA ILE A 56 6.952 -5.521 -16.797 1.00 31.44 C ATOM 846 C ILE A 56 6.638 -4.073 -16.437 1.00 70.10 C ATOM 847 O ILE A 56 6.487 -3.224 -17.315 1.00 12.41 O ATOM 848 CB ILE A 56 5.631 -6.288 -16.993 1.00 15.20 C ATOM 849 CG1 ILE A 56 5.911 -7.739 -17.388 1.00 23.23 C ATOM 850 CG2 ILE A 56 4.773 -5.603 -18.046 1.00 73.15 C ATOM 851 CD1 ILE A 56 4.677 -8.614 -17.393 1.00 10.45 C ATOM 0 H ILE A 56 7.392 -7.000 -15.378 1.00 24.42 H new ATOM 0 HA ILE A 56 7.519 -5.546 -17.727 1.00 31.44 H new ATOM 0 HB ILE A 56 5.085 -6.288 -16.050 1.00 15.20 H new ATOM 0 HG12 ILE A 56 6.362 -7.756 -18.380 1.00 23.23 H new ATOM 0 HG13 ILE A 56 6.642 -8.160 -16.698 1.00 23.23 H new ATOM 0 HG21 ILE A 56 3.843 -6.156 -18.174 1.00 73.15 H new ATOM 0 HG22 ILE A 56 4.549 -4.585 -17.727 1.00 73.15 H new ATOM 0 HG23 ILE A 56 5.312 -5.576 -18.993 1.00 73.15 H new ATOM 0 HD11 ILE A 56 4.951 -9.628 -17.682 1.00 10.45 H new ATOM 0 HD12 ILE A 56 4.237 -8.628 -16.396 1.00 10.45 H new ATOM 0 HD13 ILE A 56 3.953 -8.217 -18.104 1.00 10.45 H new ATOM 863 N SER A 57 6.543 -3.798 -15.140 1.00 60.30 N ATOM 864 CA SER A 57 6.245 -2.453 -14.664 1.00 2.34 C ATOM 865 C SER A 57 7.199 -1.434 -15.281 1.00 73.32 C ATOM 866 O SER A 57 6.842 -0.273 -15.481 1.00 12.02 O ATOM 867 CB SER A 57 6.340 -2.397 -13.138 1.00 13.44 C ATOM 868 OG SER A 57 5.391 -3.260 -12.536 1.00 13.01 O ATOM 0 H SER A 57 6.668 -4.489 -14.400 1.00 60.30 H new ATOM 0 HA SER A 57 5.228 -2.204 -14.968 1.00 2.34 H new ATOM 0 HB2 SER A 57 7.344 -2.679 -12.822 1.00 13.44 H new ATOM 0 HB3 SER A 57 6.174 -1.375 -12.797 1.00 13.44 H new ATOM 0 HG SER A 57 5.473 -3.207 -11.561 1.00 13.01 H new ATOM 874 N LYS A 58 8.414 -1.878 -15.582 1.00 64.20 N ATOM 875 CA LYS A 58 9.421 -1.008 -16.178 1.00 62.22 C ATOM 876 C LYS A 58 9.579 -1.300 -17.667 1.00 44.31 C ATOM 877 O LYS A 58 9.770 -0.388 -18.472 1.00 3.34 O ATOM 878 CB LYS A 58 10.765 -1.187 -15.467 1.00 54.42 C ATOM 879 CG LYS A 58 10.925 -0.305 -14.241 1.00 24.12 C ATOM 880 CD LYS A 58 10.140 -0.846 -13.058 1.00 75.22 C ATOM 881 CE LYS A 58 10.649 -0.277 -11.743 1.00 22.20 C ATOM 882 NZ LYS A 58 9.678 -0.488 -10.634 1.00 22.51 N ATOM 0 H LYS A 58 8.726 -2.836 -15.423 1.00 64.20 H new ATOM 0 HA LYS A 58 9.089 0.024 -16.061 1.00 62.22 H new ATOM 0 HB2 LYS A 58 10.874 -2.230 -15.171 1.00 54.42 H new ATOM 0 HB3 LYS A 58 11.570 -0.969 -16.169 1.00 54.42 H new ATOM 0 HG2 LYS A 58 11.980 -0.235 -13.977 1.00 24.12 H new ATOM 0 HG3 LYS A 58 10.587 0.705 -14.472 1.00 24.12 H new ATOM 0 HD2 LYS A 58 9.085 -0.600 -13.178 1.00 75.22 H new ATOM 0 HD3 LYS A 58 10.214 -1.933 -13.038 1.00 75.22 H new ATOM 0 HE2 LYS A 58 11.599 -0.746 -11.488 1.00 22.20 H new ATOM 0 HE3 LYS A 58 10.841 0.790 -11.859 1.00 22.20 H new ATOM 0 HZ1 LYS A 58 10.062 -0.086 -9.755 1.00 22.51 H new ATOM 0 HZ2 LYS A 58 8.779 -0.019 -10.866 1.00 22.51 H new ATOM 0 HZ3 LYS A 58 9.514 -1.507 -10.506 1.00 22.51 H new ATOM 896 N VAL A 59 9.497 -2.577 -18.028 1.00 4.45 N ATOM 897 CA VAL A 59 9.629 -2.988 -19.420 1.00 52.22 C ATOM 898 C VAL A 59 8.621 -2.262 -20.305 1.00 23.22 C ATOM 899 O VAL A 59 8.930 -1.886 -21.436 1.00 24.43 O ATOM 900 CB VAL A 59 9.433 -4.507 -19.578 1.00 31.44 C ATOM 901 CG1 VAL A 59 9.723 -4.938 -21.007 1.00 63.22 C ATOM 902 CG2 VAL A 59 10.315 -5.263 -18.595 1.00 1.52 C ATOM 0 H VAL A 59 9.340 -3.345 -17.375 1.00 4.45 H new ATOM 0 HA VAL A 59 10.639 -2.725 -19.733 1.00 52.22 H new ATOM 0 HB VAL A 59 8.393 -4.746 -19.356 1.00 31.44 H new ATOM 0 HG11 VAL A 59 9.579 -6.015 -21.099 1.00 63.22 H new ATOM 0 HG12 VAL A 59 9.045 -4.422 -21.687 1.00 63.22 H new ATOM 0 HG13 VAL A 59 10.753 -4.687 -21.261 1.00 63.22 H new ATOM 0 HG21 VAL A 59 10.164 -6.335 -18.721 1.00 1.52 H new ATOM 0 HG22 VAL A 59 11.361 -5.020 -18.783 1.00 1.52 H new ATOM 0 HG23 VAL A 59 10.053 -4.976 -17.576 1.00 1.52 H new ATOM 912 N ARG A 60 7.415 -2.068 -19.782 1.00 70.10 N ATOM 913 CA ARG A 60 6.361 -1.388 -20.525 1.00 11.23 C ATOM 914 C ARG A 60 6.826 -0.011 -20.990 1.00 54.13 C ATOM 915 O ARG A 60 6.334 0.516 -21.988 1.00 34.34 O ATOM 916 CB ARG A 60 5.107 -1.249 -19.660 1.00 55.01 C ATOM 917 CG ARG A 60 4.451 -2.578 -19.320 1.00 5.44 C ATOM 918 CD ARG A 60 3.455 -2.997 -20.389 1.00 32.43 C ATOM 919 NE ARG A 60 4.098 -3.720 -21.483 1.00 33.33 N ATOM 920 CZ ARG A 60 3.433 -4.450 -22.372 1.00 24.11 C ATOM 921 NH1 ARG A 60 2.114 -4.553 -22.297 1.00 13.12 N ATOM 922 NH2 ARG A 60 4.089 -5.079 -23.339 1.00 44.41 N ATOM 0 H ARG A 60 7.143 -2.372 -18.847 1.00 70.10 H new ATOM 0 HA ARG A 60 6.124 -1.989 -21.403 1.00 11.23 H new ATOM 0 HB2 ARG A 60 5.369 -0.736 -18.735 1.00 55.01 H new ATOM 0 HB3 ARG A 60 4.385 -0.620 -20.180 1.00 55.01 H new ATOM 0 HG2 ARG A 60 5.217 -3.346 -19.214 1.00 5.44 H new ATOM 0 HG3 ARG A 60 3.943 -2.499 -18.359 1.00 5.44 H new ATOM 0 HD2 ARG A 60 2.686 -3.626 -19.941 1.00 32.43 H new ATOM 0 HD3 ARG A 60 2.954 -2.113 -20.784 1.00 32.43 H new ATOM 0 HE ARG A 60 5.113 -3.661 -21.569 1.00 33.33 H new ATOM 0 HH11 ARG A 60 1.606 -4.071 -21.555 1.00 13.12 H new ATOM 0 HH12 ARG A 60 1.607 -5.114 -22.981 1.00 13.12 H new ATOM 0 HH21 ARG A 60 5.104 -5.002 -23.400 1.00 44.41 H new ATOM 0 HH22 ARG A 60 3.578 -5.639 -24.021 1.00 44.41 H new ATOM 936 N GLU A 61 7.776 0.566 -20.260 1.00 75.54 N ATOM 937 CA GLU A 61 8.305 1.881 -20.599 1.00 11.54 C ATOM 938 C GLU A 61 9.600 1.758 -21.397 1.00 55.40 C ATOM 939 O GLU A 61 9.877 2.571 -22.278 1.00 40.14 O ATOM 940 CB GLU A 61 8.552 2.698 -19.328 1.00 52.25 C ATOM 941 CG GLU A 61 7.371 2.708 -18.372 1.00 41.32 C ATOM 942 CD GLU A 61 6.186 3.483 -18.916 1.00 65.00 C ATOM 943 OE1 GLU A 61 6.379 4.270 -19.867 1.00 31.32 O ATOM 944 OE2 GLU A 61 5.068 3.303 -18.391 1.00 52.13 O ATOM 0 H GLU A 61 8.194 0.143 -19.431 1.00 75.54 H new ATOM 0 HA GLU A 61 7.567 2.394 -21.215 1.00 11.54 H new ATOM 0 HB2 GLU A 61 9.424 2.296 -18.811 1.00 52.25 H new ATOM 0 HB3 GLU A 61 8.792 3.724 -19.607 1.00 52.25 H new ATOM 0 HG2 GLU A 61 7.066 1.682 -18.167 1.00 41.32 H new ATOM 0 HG3 GLU A 61 7.681 3.144 -17.422 1.00 41.32 H new ATOM 951 N MET A 62 10.388 0.736 -21.081 1.00 11.33 N ATOM 952 CA MET A 62 11.653 0.506 -21.769 1.00 10.03 C ATOM 953 C MET A 62 11.417 0.106 -23.222 1.00 12.04 C ATOM 954 O MET A 62 12.249 0.368 -24.089 1.00 50.43 O ATOM 955 CB MET A 62 12.457 -0.581 -21.053 1.00 1.25 C ATOM 956 CG MET A 62 13.953 -0.499 -21.309 1.00 40.35 C ATOM 957 SD MET A 62 14.797 0.599 -20.155 1.00 11.51 S ATOM 958 CE MET A 62 14.826 2.123 -21.097 1.00 20.15 C ATOM 0 H MET A 62 10.173 0.054 -20.353 1.00 11.33 H new ATOM 0 HA MET A 62 12.220 1.437 -21.754 1.00 10.03 H new ATOM 0 HB2 MET A 62 12.276 -0.508 -19.981 1.00 1.25 H new ATOM 0 HB3 MET A 62 12.095 -1.558 -21.372 1.00 1.25 H new ATOM 0 HG2 MET A 62 14.385 -1.497 -21.237 1.00 40.35 H new ATOM 0 HG3 MET A 62 14.125 -0.150 -22.327 1.00 40.35 H new ATOM 0 HE1 MET A 62 15.622 2.767 -20.723 1.00 20.15 H new ATOM 0 HE2 MET A 62 15.005 1.898 -22.148 1.00 20.15 H new ATOM 0 HE3 MET A 62 13.868 2.633 -20.993 1.00 20.15 H new ATOM 968 N GLN A 63 10.278 -0.530 -23.478 1.00 42.00 N ATOM 969 CA GLN A 63 9.935 -0.967 -24.826 1.00 54.52 C ATOM 970 C GLN A 63 9.808 0.226 -25.769 1.00 21.22 C ATOM 971 O GLN A 63 10.008 0.100 -26.977 1.00 62.21 O ATOM 972 CB GLN A 63 8.627 -1.760 -24.810 1.00 60.12 C ATOM 973 CG GLN A 63 7.466 -1.007 -24.182 1.00 53.31 C ATOM 974 CD GLN A 63 6.124 -1.421 -24.753 1.00 50.15 C ATOM 975 OE1 GLN A 63 5.415 -0.612 -25.352 1.00 53.32 O ATOM 976 NE2 GLN A 63 5.768 -2.687 -24.572 1.00 22.24 N ATOM 0 H GLN A 63 9.578 -0.754 -22.771 1.00 42.00 H new ATOM 0 HA GLN A 63 10.737 -1.610 -25.188 1.00 54.52 H new ATOM 0 HB2 GLN A 63 8.363 -2.030 -25.833 1.00 60.12 H new ATOM 0 HB3 GLN A 63 8.783 -2.691 -24.265 1.00 60.12 H new ATOM 0 HG2 GLN A 63 7.467 -1.178 -23.106 1.00 53.31 H new ATOM 0 HG3 GLN A 63 7.607 0.063 -24.335 1.00 53.31 H new ATOM 0 HE21 GLN A 63 6.386 -3.324 -24.069 1.00 22.24 H new ATOM 0 HE22 GLN A 63 4.876 -3.023 -24.936 1.00 22.24 H new ATOM 985 N LYS A 64 9.474 1.384 -25.209 1.00 22.52 N ATOM 986 CA LYS A 64 9.321 2.600 -25.998 1.00 64.11 C ATOM 987 C LYS A 64 10.634 3.374 -26.064 1.00 40.11 C ATOM 988 O LYS A 64 10.881 4.115 -27.016 1.00 22.41 O ATOM 989 CB LYS A 64 8.224 3.485 -25.402 1.00 24.11 C ATOM 990 CG LYS A 64 6.824 3.100 -25.846 1.00 31.31 C ATOM 991 CD LYS A 64 5.785 3.472 -24.801 1.00 5.30 C ATOM 992 CE LYS A 64 4.424 3.722 -25.432 1.00 63.02 C ATOM 993 NZ LYS A 64 3.314 3.491 -24.467 1.00 4.14 N ATOM 0 H LYS A 64 9.304 1.506 -24.211 1.00 22.52 H new ATOM 0 HA LYS A 64 9.037 2.313 -27.011 1.00 64.11 H new ATOM 0 HB2 LYS A 64 8.278 3.434 -24.315 1.00 24.11 H new ATOM 0 HB3 LYS A 64 8.413 4.521 -25.682 1.00 24.11 H new ATOM 0 HG2 LYS A 64 6.590 3.598 -26.787 1.00 31.31 H new ATOM 0 HG3 LYS A 64 6.783 2.027 -26.035 1.00 31.31 H new ATOM 0 HD2 LYS A 64 5.705 2.672 -24.065 1.00 5.30 H new ATOM 0 HD3 LYS A 64 6.109 4.365 -24.266 1.00 5.30 H new ATOM 0 HE2 LYS A 64 4.377 4.747 -25.800 1.00 63.02 H new ATOM 0 HE3 LYS A 64 4.298 3.067 -26.294 1.00 63.02 H new ATOM 0 HZ1 LYS A 64 2.403 3.672 -24.936 1.00 4.14 H new ATOM 0 HZ2 LYS A 64 3.343 2.506 -24.134 1.00 4.14 H new ATOM 0 HZ3 LYS A 64 3.420 4.133 -23.656 1.00 4.14 H new ATOM 1007 N TRP A 65 11.472 3.197 -25.049 1.00 35.21 N ATOM 1008 CA TRP A 65 12.760 3.878 -24.993 1.00 51.32 C ATOM 1009 C TRP A 65 13.679 3.398 -26.111 1.00 74.31 C ATOM 1010 O TRP A 65 14.572 4.124 -26.549 1.00 61.32 O ATOM 1011 CB TRP A 65 13.424 3.647 -23.635 1.00 63.42 C ATOM 1012 CG TRP A 65 13.050 4.672 -22.608 1.00 45.33 C ATOM 1013 CD1 TRP A 65 11.788 5.034 -22.233 1.00 22.34 C ATOM 1014 CD2 TRP A 65 13.947 5.470 -21.827 1.00 64.35 C ATOM 1015 NE1 TRP A 65 11.846 6.008 -21.265 1.00 64.22 N ATOM 1016 CE2 TRP A 65 13.159 6.292 -20.998 1.00 45.15 C ATOM 1017 CE3 TRP A 65 15.339 5.568 -21.746 1.00 70.52 C ATOM 1018 CZ2 TRP A 65 13.719 7.199 -20.103 1.00 12.34 C ATOM 1019 CZ3 TRP A 65 15.893 6.469 -20.857 1.00 35.31 C ATOM 1020 CH2 TRP A 65 15.084 7.274 -20.044 1.00 51.31 C ATOM 0 H TRP A 65 11.282 2.587 -24.253 1.00 35.21 H new ATOM 0 HA TRP A 65 12.584 4.945 -25.126 1.00 51.32 H new ATOM 0 HB2 TRP A 65 13.149 2.658 -23.268 1.00 63.42 H new ATOM 0 HB3 TRP A 65 14.506 3.650 -23.763 1.00 63.42 H new ATOM 0 HD1 TRP A 65 10.878 4.616 -22.638 1.00 22.34 H new ATOM 0 HE1 TRP A 65 11.042 6.448 -20.818 1.00 64.22 H new ATOM 0 HE3 TRP A 65 15.970 4.950 -22.367 1.00 70.52 H new ATOM 0 HZ2 TRP A 65 13.098 7.822 -19.477 1.00 12.34 H new ATOM 0 HZ3 TRP A 65 16.967 6.554 -20.788 1.00 35.31 H new ATOM 0 HH2 TRP A 65 15.547 7.967 -19.357 1.00 51.31 H new ATOM 1031 N LEU A 66 13.454 2.171 -26.569 1.00 42.23 N ATOM 1032 CA LEU A 66 14.263 1.594 -27.638 1.00 35.34 C ATOM 1033 C LEU A 66 13.504 1.604 -28.961 1.00 0.41 C ATOM 1034 O LEU A 66 14.108 1.630 -30.033 1.00 10.14 O ATOM 1035 CB LEU A 66 14.668 0.163 -27.280 1.00 72.55 C ATOM 1036 CG LEU A 66 15.898 0.017 -26.385 1.00 4.13 C ATOM 1037 CD1 LEU A 66 15.887 -1.328 -25.676 1.00 72.40 C ATOM 1038 CD2 LEU A 66 17.173 0.182 -27.199 1.00 3.10 C ATOM 0 H LEU A 66 12.719 1.557 -26.218 1.00 42.23 H new ATOM 0 HA LEU A 66 15.160 2.202 -27.751 1.00 35.34 H new ATOM 0 HB2 LEU A 66 13.825 -0.319 -26.785 1.00 72.55 H new ATOM 0 HB3 LEU A 66 14.850 -0.384 -28.205 1.00 72.55 H new ATOM 0 HG LEU A 66 15.868 0.802 -25.630 1.00 4.13 H new ATOM 0 HD11 LEU A 66 16.771 -1.413 -25.044 1.00 72.40 H new ATOM 0 HD12 LEU A 66 14.991 -1.407 -25.060 1.00 72.40 H new ATOM 0 HD13 LEU A 66 15.891 -2.129 -26.415 1.00 72.40 H new ATOM 0 HD21 LEU A 66 18.039 0.075 -26.545 1.00 3.10 H new ATOM 0 HD22 LEU A 66 17.209 -0.581 -27.977 1.00 3.10 H new ATOM 0 HD23 LEU A 66 17.186 1.170 -27.659 1.00 3.10 H new ATOM 1050 N GLU A 67 12.177 1.587 -28.877 1.00 24.50 N ATOM 1051 CA GLU A 67 11.337 1.596 -30.069 1.00 21.44 C ATOM 1052 C GLU A 67 11.219 3.006 -30.640 1.00 72.52 C ATOM 1053 O GLU A 67 11.532 3.244 -31.807 1.00 61.22 O ATOM 1054 CB GLU A 67 9.946 1.047 -29.743 1.00 43.02 C ATOM 1055 CG GLU A 67 8.979 1.108 -30.913 1.00 52.22 C ATOM 1056 CD GLU A 67 7.719 0.299 -30.672 1.00 3.03 C ATOM 1057 OE1 GLU A 67 7.061 0.524 -29.635 1.00 34.54 O ATOM 1058 OE2 GLU A 67 7.393 -0.558 -31.519 1.00 35.23 O ATOM 0 H GLU A 67 11.661 1.567 -27.997 1.00 24.50 H new ATOM 0 HA GLU A 67 11.805 0.958 -30.818 1.00 21.44 H new ATOM 0 HB2 GLU A 67 10.041 0.012 -29.414 1.00 43.02 H new ATOM 0 HB3 GLU A 67 9.529 1.610 -28.908 1.00 43.02 H new ATOM 0 HG2 GLU A 67 8.709 2.147 -31.102 1.00 52.22 H new ATOM 0 HG3 GLU A 67 9.477 0.740 -31.810 1.00 52.22 H new ATOM 1065 N THR A 68 10.763 3.938 -29.810 1.00 5.45 N ATOM 1066 CA THR A 68 10.602 5.324 -30.231 1.00 54.01 C ATOM 1067 C THR A 68 11.879 6.123 -29.997 1.00 34.22 C ATOM 1068 O THR A 68 12.340 6.846 -30.880 1.00 3.14 O ATOM 1069 CB THR A 68 9.439 6.006 -29.485 1.00 70.14 C ATOM 1070 OG1 THR A 68 9.791 6.213 -28.113 1.00 65.10 O ATOM 1071 CG2 THR A 68 8.175 5.164 -29.568 1.00 71.50 C ATOM 0 H THR A 68 10.498 3.758 -28.841 1.00 5.45 H new ATOM 0 HA THR A 68 10.379 5.306 -31.298 1.00 54.01 H new ATOM 0 HB THR A 68 9.247 6.968 -29.959 1.00 70.14 H new ATOM 0 HG1 THR A 68 9.873 5.347 -27.662 1.00 65.10 H new ATOM 0 HG21 THR A 68 7.368 5.666 -29.034 1.00 71.50 H new ATOM 0 HG22 THR A 68 7.893 5.033 -30.613 1.00 71.50 H new ATOM 0 HG23 THR A 68 8.357 4.189 -29.117 1.00 71.50 H new ATOM 1079 N ARG A 69 12.445 5.987 -28.802 1.00 63.24 N ATOM 1080 CA ARG A 69 13.670 6.697 -28.452 1.00 74.13 C ATOM 1081 C ARG A 69 14.897 5.838 -28.740 1.00 65.11 C ATOM 1082 O ARG A 69 14.778 4.686 -29.155 1.00 64.11 O ATOM 1083 CB ARG A 69 13.648 7.097 -26.976 1.00 22.42 C ATOM 1084 CG ARG A 69 12.512 8.040 -26.617 1.00 10.13 C ATOM 1085 CD ARG A 69 12.882 9.489 -26.895 1.00 75.43 C ATOM 1086 NE ARG A 69 11.703 10.319 -27.130 1.00 21.23 N ATOM 1087 CZ ARG A 69 11.754 11.635 -27.303 1.00 32.22 C ATOM 1088 NH1 ARG A 69 12.919 12.267 -27.268 1.00 72.25 N ATOM 1089 NH2 ARG A 69 10.638 12.321 -27.511 1.00 54.34 N ATOM 0 H ARG A 69 12.075 5.392 -28.060 1.00 63.24 H new ATOM 0 HA ARG A 69 13.727 7.597 -29.064 1.00 74.13 H new ATOM 0 HB2 ARG A 69 13.569 6.197 -26.366 1.00 22.42 H new ATOM 0 HB3 ARG A 69 14.596 7.571 -26.723 1.00 22.42 H new ATOM 0 HG2 ARG A 69 11.623 7.774 -27.189 1.00 10.13 H new ATOM 0 HG3 ARG A 69 12.260 7.923 -25.563 1.00 10.13 H new ATOM 0 HD2 ARG A 69 13.444 9.888 -26.051 1.00 75.43 H new ATOM 0 HD3 ARG A 69 13.537 9.535 -27.765 1.00 75.43 H new ATOM 0 HE ARG A 69 10.791 9.863 -27.163 1.00 21.23 H new ATOM 0 HH11 ARG A 69 13.779 11.743 -27.108 1.00 72.25 H new ATOM 0 HH12 ARG A 69 12.955 13.278 -27.401 1.00 72.25 H new ATOM 0 HH21 ARG A 69 9.740 11.838 -27.538 1.00 54.34 H new ATOM 0 HH22 ARG A 69 10.678 13.332 -27.644 1.00 54.34 H new ATOM 1103 N GLY A 70 16.078 6.408 -28.517 1.00 31.11 N ATOM 1104 CA GLY A 70 17.310 5.681 -28.758 1.00 63.41 C ATOM 1105 C GLY A 70 18.542 6.527 -28.506 1.00 0.31 C ATOM 1106 O GLY A 70 19.042 6.589 -27.383 1.00 21.43 O ATOM 0 H GLY A 70 16.203 7.360 -28.174 1.00 31.11 H new ATOM 0 HA2 GLY A 70 17.340 4.801 -28.116 1.00 63.41 H new ATOM 0 HA3 GLY A 70 17.322 5.325 -29.788 1.00 63.41 H new ATOM 1110 N SER A 71 19.034 7.181 -29.554 1.00 32.14 N ATOM 1111 CA SER A 71 20.218 8.024 -29.442 1.00 23.14 C ATOM 1112 C SER A 71 20.280 9.029 -30.587 1.00 52.53 C ATOM 1113 O SER A 71 19.643 8.864 -31.628 1.00 32.43 O ATOM 1114 CB SER A 71 21.484 7.164 -29.434 1.00 75.24 C ATOM 1115 OG SER A 71 21.297 5.976 -30.184 1.00 33.31 O ATOM 0 H SER A 71 18.631 7.143 -30.490 1.00 32.14 H new ATOM 0 HA SER A 71 20.154 8.573 -28.503 1.00 23.14 H new ATOM 0 HB2 SER A 71 22.316 7.733 -29.849 1.00 75.24 H new ATOM 0 HB3 SER A 71 21.750 6.912 -28.407 1.00 75.24 H new ATOM 0 HG SER A 71 21.431 6.166 -31.136 1.00 33.31 H new ATOM 1121 N PRO A 72 21.066 10.099 -30.393 1.00 55.11 N ATOM 1122 CA PRO A 72 21.230 11.153 -31.398 1.00 44.24 C ATOM 1123 C PRO A 72 22.015 10.676 -32.616 1.00 33.33 C ATOM 1124 O PRO A 72 21.786 11.139 -33.733 1.00 25.14 O ATOM 1125 CB PRO A 72 22.011 12.237 -30.651 1.00 11.21 C ATOM 1126 CG PRO A 72 22.743 11.506 -29.579 1.00 13.11 C ATOM 1127 CD PRO A 72 21.854 10.362 -29.177 1.00 71.54 C ATOM 0 HA PRO A 72 20.272 11.493 -31.792 1.00 44.24 H new ATOM 0 HB2 PRO A 72 22.700 12.758 -31.316 1.00 11.21 H new ATOM 0 HB3 PRO A 72 21.342 12.989 -30.232 1.00 11.21 H new ATOM 0 HG2 PRO A 72 23.705 11.144 -29.941 1.00 13.11 H new ATOM 0 HG3 PRO A 72 22.947 12.159 -28.730 1.00 13.11 H new ATOM 0 HD2 PRO A 72 22.434 9.489 -28.877 1.00 71.54 H new ATOM 0 HD3 PRO A 72 21.216 10.626 -28.334 1.00 71.54 H new ATOM 1135 N GLU A 73 22.939 9.747 -32.392 1.00 30.24 N ATOM 1136 CA GLU A 73 23.757 9.208 -33.472 1.00 32.43 C ATOM 1137 C GLU A 73 22.935 8.285 -34.368 1.00 4.04 C ATOM 1138 O GLU A 73 22.625 8.626 -35.509 1.00 71.41 O ATOM 1139 CB GLU A 73 24.957 8.448 -32.902 1.00 73.23 C ATOM 1140 CG GLU A 73 26.163 9.331 -32.630 1.00 71.12 C ATOM 1141 CD GLU A 73 26.608 10.104 -33.856 1.00 43.13 C ATOM 1142 OE1 GLU A 73 26.454 9.577 -34.978 1.00 22.52 O ATOM 1143 OE2 GLU A 73 27.111 11.236 -33.695 1.00 32.44 O ATOM 0 H GLU A 73 23.140 9.352 -31.473 1.00 30.24 H new ATOM 0 HA GLU A 73 24.117 10.043 -34.073 1.00 32.43 H new ATOM 0 HB2 GLU A 73 24.659 7.958 -31.975 1.00 73.23 H new ATOM 0 HB3 GLU A 73 25.243 7.661 -33.600 1.00 73.23 H new ATOM 0 HG2 GLU A 73 25.923 10.032 -31.831 1.00 71.12 H new ATOM 0 HG3 GLU A 73 26.988 8.714 -32.275 1.00 71.12 H new ATOM 1150 N SER A 74 22.587 7.115 -33.842 1.00 2.04 N ATOM 1151 CA SER A 74 21.806 6.141 -34.594 1.00 72.33 C ATOM 1152 C SER A 74 20.380 6.638 -34.810 1.00 52.33 C ATOM 1153 O SER A 74 19.988 7.682 -34.287 1.00 61.01 O ATOM 1154 CB SER A 74 21.784 4.798 -33.862 1.00 30.30 C ATOM 1155 OG SER A 74 21.224 4.932 -32.567 1.00 25.10 O ATOM 0 H SER A 74 22.834 6.819 -32.898 1.00 2.04 H new ATOM 0 HA SER A 74 22.278 6.008 -35.568 1.00 72.33 H new ATOM 0 HB2 SER A 74 21.206 4.076 -34.438 1.00 30.30 H new ATOM 0 HB3 SER A 74 22.798 4.406 -33.784 1.00 30.30 H new ATOM 0 HG SER A 74 21.220 4.060 -32.120 1.00 25.10 H new ATOM 1161 N HIS A 75 19.607 5.883 -35.585 1.00 44.54 N ATOM 1162 CA HIS A 75 18.224 6.246 -35.871 1.00 51.42 C ATOM 1163 C HIS A 75 17.325 5.014 -35.856 1.00 73.11 C ATOM 1164 O HIS A 75 17.790 3.892 -36.061 1.00 54.33 O ATOM 1165 CB HIS A 75 18.128 6.946 -37.228 1.00 33.45 C ATOM 1166 CG HIS A 75 16.951 7.864 -37.346 1.00 12.44 C ATOM 1167 ND1 HIS A 75 16.145 7.915 -38.463 1.00 73.02 N ATOM 1168 CD2 HIS A 75 16.444 8.770 -36.477 1.00 3.51 C ATOM 1169 CE1 HIS A 75 15.194 8.814 -38.278 1.00 24.44 C ATOM 1170 NE2 HIS A 75 15.353 9.347 -37.080 1.00 25.03 N ATOM 0 H HIS A 75 19.915 5.016 -36.026 1.00 44.54 H new ATOM 0 HA HIS A 75 17.886 6.930 -35.093 1.00 51.42 H new ATOM 0 HB2 HIS A 75 19.041 7.516 -37.399 1.00 33.45 H new ATOM 0 HB3 HIS A 75 18.071 6.192 -38.013 1.00 33.45 H new ATOM 0 HD2 HIS A 75 16.826 8.997 -35.493 1.00 3.51 H new ATOM 0 HE1 HIS A 75 14.419 9.069 -38.986 1.00 24.44 H new ATOM 0 HE2 HIS A 75 14.762 10.070 -36.669 1.00 25.03 H new ATOM 1178 N ILE A 76 16.037 5.230 -35.611 1.00 52.13 N ATOM 1179 CA ILE A 76 15.074 4.137 -35.570 1.00 35.11 C ATOM 1180 C ILE A 76 13.855 4.445 -36.433 1.00 70.03 C ATOM 1181 O ILE A 76 12.944 5.156 -36.009 1.00 2.24 O ATOM 1182 CB ILE A 76 14.609 3.850 -34.130 1.00 1.12 C ATOM 1183 CG1 ILE A 76 15.807 3.504 -33.244 1.00 23.14 C ATOM 1184 CG2 ILE A 76 13.590 2.721 -34.117 1.00 70.40 C ATOM 1185 CD1 ILE A 76 15.523 3.638 -31.764 1.00 23.11 C ATOM 0 H ILE A 76 15.636 6.152 -35.438 1.00 52.13 H new ATOM 0 HA ILE A 76 15.581 3.256 -35.962 1.00 35.11 H new ATOM 0 HB ILE A 76 14.133 4.746 -33.732 1.00 1.12 H new ATOM 0 HG12 ILE A 76 16.121 2.482 -33.454 1.00 23.14 H new ATOM 0 HG13 ILE A 76 16.642 4.154 -33.506 1.00 23.14 H new ATOM 0 HG21 ILE A 76 13.271 2.530 -33.092 1.00 70.40 H new ATOM 0 HG22 ILE A 76 12.726 3.003 -34.719 1.00 70.40 H new ATOM 0 HG23 ILE A 76 14.041 1.819 -34.530 1.00 70.40 H new ATOM 0 HD11 ILE A 76 16.417 3.377 -31.197 1.00 23.11 H new ATOM 0 HD12 ILE A 76 15.238 4.666 -31.540 1.00 23.11 H new ATOM 0 HD13 ILE A 76 14.709 2.968 -31.488 1.00 23.11 H new ATOM 1197 N ASP A 77 13.844 3.904 -37.646 1.00 63.53 N ATOM 1198 CA ASP A 77 12.736 4.118 -38.570 1.00 31.25 C ATOM 1199 C ASP A 77 11.562 3.204 -38.231 1.00 1.34 C ATOM 1200 O ASP A 77 10.409 3.521 -38.525 1.00 44.11 O ATOM 1201 CB ASP A 77 13.189 3.873 -40.010 1.00 2.33 C ATOM 1202 CG ASP A 77 12.187 4.383 -41.027 1.00 1.24 C ATOM 1203 OD1 ASP A 77 11.106 3.770 -41.154 1.00 2.21 O ATOM 1204 OD2 ASP A 77 12.483 5.396 -41.694 1.00 61.34 O ATOM 0 H ASP A 77 14.590 3.313 -38.013 1.00 63.53 H new ATOM 0 HA ASP A 77 12.409 5.153 -38.472 1.00 31.25 H new ATOM 0 HB2 ASP A 77 14.149 4.362 -40.174 1.00 2.33 H new ATOM 0 HB3 ASP A 77 13.345 2.805 -40.162 1.00 2.33 H new ATOM 1209 N LYS A 78 11.863 2.068 -37.611 1.00 11.34 N ATOM 1210 CA LYS A 78 10.834 1.108 -37.231 1.00 31.43 C ATOM 1211 C LYS A 78 11.390 0.069 -36.262 1.00 1.12 C ATOM 1212 O LYS A 78 12.599 -0.156 -36.205 1.00 14.20 O ATOM 1213 CB LYS A 78 10.273 0.412 -38.473 1.00 54.52 C ATOM 1214 CG LYS A 78 11.343 -0.052 -39.446 1.00 13.01 C ATOM 1215 CD LYS A 78 10.903 -1.290 -40.209 1.00 70.12 C ATOM 1216 CE LYS A 78 12.023 -1.832 -41.084 1.00 74.33 C ATOM 1217 NZ LYS A 78 12.428 -0.857 -42.134 1.00 75.14 N ATOM 0 H LYS A 78 12.812 1.790 -37.361 1.00 11.34 H new ATOM 0 HA LYS A 78 10.032 1.652 -36.733 1.00 31.43 H new ATOM 0 HB2 LYS A 78 9.680 -0.448 -38.161 1.00 54.52 H new ATOM 0 HB3 LYS A 78 9.597 1.095 -38.988 1.00 54.52 H new ATOM 0 HG2 LYS A 78 11.568 0.749 -40.150 1.00 13.01 H new ATOM 0 HG3 LYS A 78 12.263 -0.267 -38.902 1.00 13.01 H new ATOM 0 HD2 LYS A 78 10.585 -2.059 -39.505 1.00 70.12 H new ATOM 0 HD3 LYS A 78 10.039 -1.049 -40.829 1.00 70.12 H new ATOM 0 HE2 LYS A 78 12.885 -2.075 -40.462 1.00 74.33 H new ATOM 0 HE3 LYS A 78 11.699 -2.760 -41.556 1.00 74.33 H new ATOM 0 HZ1 LYS A 78 13.094 -1.311 -42.791 1.00 75.14 H new ATOM 0 HZ2 LYS A 78 11.587 -0.541 -42.657 1.00 75.14 H new ATOM 0 HZ3 LYS A 78 12.886 -0.037 -41.688 1.00 75.14 H new ATOM 1231 N ALA A 79 10.500 -0.562 -35.503 1.00 2.34 N ATOM 1232 CA ALA A 79 10.902 -1.579 -34.539 1.00 44.31 C ATOM 1233 C ALA A 79 9.716 -2.442 -34.124 1.00 54.22 C ATOM 1234 O ALA A 79 8.563 -2.034 -34.257 1.00 52.54 O ATOM 1235 CB ALA A 79 11.537 -0.928 -33.319 1.00 35.14 C ATOM 0 H ALA A 79 9.496 -0.387 -35.537 1.00 2.34 H new ATOM 0 HA ALA A 79 11.638 -2.226 -35.016 1.00 44.31 H new ATOM 0 HB1 ALA A 79 11.832 -1.699 -32.607 1.00 35.14 H new ATOM 0 HB2 ALA A 79 12.416 -0.361 -33.625 1.00 35.14 H new ATOM 0 HB3 ALA A 79 10.818 -0.257 -32.849 1.00 35.14 H new ATOM 1241 N ASN A 80 10.006 -3.637 -33.621 1.00 62.35 N ATOM 1242 CA ASN A 80 8.962 -4.559 -33.188 1.00 40.33 C ATOM 1243 C ASN A 80 9.516 -5.585 -32.204 1.00 51.33 C ATOM 1244 O ASN A 80 10.729 -5.698 -32.026 1.00 32.10 O ATOM 1245 CB ASN A 80 8.349 -5.272 -34.395 1.00 44.13 C ATOM 1246 CG ASN A 80 7.192 -4.499 -34.998 1.00 10.15 C ATOM 1247 OD1 ASN A 80 7.330 -3.870 -36.047 1.00 1.02 O ATOM 1248 ND2 ASN A 80 6.043 -4.543 -34.334 1.00 14.51 N ATOM 0 H ASN A 80 10.956 -3.990 -33.503 1.00 62.35 H new ATOM 0 HA ASN A 80 8.187 -3.981 -32.685 1.00 40.33 H new ATOM 0 HB2 ASN A 80 9.117 -5.421 -35.154 1.00 44.13 H new ATOM 0 HB3 ASN A 80 8.003 -6.260 -34.092 1.00 44.13 H new ATOM 0 HD21 ASN A 80 5.229 -4.042 -34.690 1.00 14.51 H new ATOM 0 HD22 ASN A 80 5.975 -5.078 -33.468 1.00 14.51 H new ATOM 1255 N PHE A 81 8.619 -6.331 -31.568 1.00 53.24 N ATOM 1256 CA PHE A 81 9.017 -7.348 -30.602 1.00 11.40 C ATOM 1257 C PHE A 81 8.788 -8.749 -31.161 1.00 52.22 C ATOM 1258 O PHE A 81 8.087 -8.925 -32.158 1.00 61.31 O ATOM 1259 CB PHE A 81 8.238 -7.174 -29.297 1.00 0.35 C ATOM 1260 CG PHE A 81 6.752 -7.321 -29.461 1.00 23.44 C ATOM 1261 CD1 PHE A 81 6.168 -8.577 -29.498 1.00 73.10 C ATOM 1262 CD2 PHE A 81 5.940 -6.205 -29.577 1.00 4.21 C ATOM 1263 CE1 PHE A 81 4.801 -8.716 -29.650 1.00 10.32 C ATOM 1264 CE2 PHE A 81 4.573 -6.337 -29.728 1.00 71.24 C ATOM 1265 CZ PHE A 81 4.002 -7.594 -29.764 1.00 25.42 C ATOM 0 H PHE A 81 7.611 -6.250 -31.704 1.00 53.24 H new ATOM 0 HA PHE A 81 10.081 -7.226 -30.401 1.00 11.40 H new ATOM 0 HB2 PHE A 81 8.590 -7.909 -28.573 1.00 0.35 H new ATOM 0 HB3 PHE A 81 8.454 -6.189 -28.883 1.00 0.35 H new ATOM 0 HD1 PHE A 81 6.788 -9.457 -29.407 1.00 73.10 H new ATOM 0 HD2 PHE A 81 6.381 -5.219 -29.549 1.00 4.21 H new ATOM 0 HE1 PHE A 81 4.358 -9.700 -29.680 1.00 10.32 H new ATOM 0 HE2 PHE A 81 3.952 -5.458 -29.818 1.00 71.24 H new ATOM 0 HZ PHE A 81 2.934 -7.700 -29.881 1.00 25.42 H new ATOM 1275 N LYS A 82 9.384 -9.743 -30.512 1.00 63.03 N ATOM 1276 CA LYS A 82 9.246 -11.129 -30.942 1.00 63.41 C ATOM 1277 C LYS A 82 8.223 -11.866 -30.084 1.00 13.11 C ATOM 1278 O LYS A 82 7.120 -12.166 -30.538 1.00 34.30 O ATOM 1279 CB LYS A 82 10.597 -11.844 -30.869 1.00 65.43 C ATOM 1280 CG LYS A 82 11.665 -11.219 -31.751 1.00 75.54 C ATOM 1281 CD LYS A 82 12.717 -12.237 -32.159 1.00 3.33 C ATOM 1282 CE LYS A 82 12.242 -13.096 -33.320 1.00 41.24 C ATOM 1283 NZ LYS A 82 12.544 -12.466 -34.636 1.00 24.43 N ATOM 0 H LYS A 82 9.968 -9.614 -29.686 1.00 63.03 H new ATOM 0 HA LYS A 82 8.896 -11.129 -31.974 1.00 63.41 H new ATOM 0 HB2 LYS A 82 10.944 -11.842 -29.836 1.00 65.43 H new ATOM 0 HB3 LYS A 82 10.463 -12.886 -31.158 1.00 65.43 H new ATOM 0 HG2 LYS A 82 11.201 -10.797 -32.642 1.00 75.54 H new ATOM 0 HG3 LYS A 82 12.141 -10.395 -31.219 1.00 75.54 H new ATOM 0 HD2 LYS A 82 13.635 -11.720 -32.439 1.00 3.33 H new ATOM 0 HD3 LYS A 82 12.957 -12.874 -31.308 1.00 3.33 H new ATOM 0 HE2 LYS A 82 12.720 -14.074 -33.267 1.00 41.24 H new ATOM 0 HE3 LYS A 82 11.168 -13.261 -33.234 1.00 41.24 H new ATOM 0 HZ1 LYS A 82 11.665 -12.369 -35.184 1.00 24.43 H new ATOM 0 HZ2 LYS A 82 12.963 -11.526 -34.483 1.00 24.43 H new ATOM 0 HZ3 LYS A 82 13.215 -13.063 -35.161 1.00 24.43 H new ATOM 1297 N ASN A 83 8.596 -12.152 -28.841 1.00 30.41 N ATOM 1298 CA ASN A 83 7.709 -12.853 -27.919 1.00 3.11 C ATOM 1299 C ASN A 83 8.293 -12.869 -26.509 1.00 52.23 C ATOM 1300 O ASN A 83 9.315 -13.506 -26.258 1.00 33.33 O ATOM 1301 CB ASN A 83 7.468 -14.285 -28.399 1.00 65.44 C ATOM 1302 CG ASN A 83 6.840 -15.157 -27.329 1.00 5.54 C ATOM 1303 OD1 ASN A 83 7.539 -15.834 -26.575 1.00 65.21 O ATOM 1304 ND2 ASN A 83 5.515 -15.142 -27.257 1.00 75.31 N ATOM 0 H ASN A 83 9.506 -11.909 -28.449 1.00 30.41 H new ATOM 0 HA ASN A 83 6.758 -12.321 -27.894 1.00 3.11 H new ATOM 0 HB2 ASN A 83 6.820 -14.267 -29.275 1.00 65.44 H new ATOM 0 HB3 ASN A 83 8.415 -14.724 -28.712 1.00 65.44 H new ATOM 0 HD21 ASN A 83 5.036 -15.707 -26.556 1.00 75.31 H new ATOM 0 HD22 ASN A 83 4.976 -14.565 -27.903 1.00 75.31 H new ATOM 1311 N GLU A 84 7.635 -12.163 -25.594 1.00 62.14 N ATOM 1312 CA GLU A 84 8.089 -12.096 -24.210 1.00 64.44 C ATOM 1313 C GLU A 84 8.024 -13.470 -23.549 1.00 60.35 C ATOM 1314 O GLU A 84 7.401 -14.395 -24.072 1.00 52.41 O ATOM 1315 CB GLU A 84 7.242 -11.097 -23.420 1.00 22.21 C ATOM 1316 CG GLU A 84 5.775 -11.482 -23.328 1.00 40.44 C ATOM 1317 CD GLU A 84 4.952 -10.919 -24.471 1.00 63.44 C ATOM 1318 OE1 GLU A 84 4.707 -9.695 -24.478 1.00 54.15 O ATOM 1319 OE2 GLU A 84 4.554 -11.703 -25.358 1.00 62.21 O ATOM 0 H GLU A 84 6.787 -11.630 -25.786 1.00 62.14 H new ATOM 0 HA GLU A 84 9.126 -11.761 -24.211 1.00 64.44 H new ATOM 0 HB2 GLU A 84 7.649 -11.005 -22.413 1.00 22.21 H new ATOM 0 HB3 GLU A 84 7.323 -10.116 -23.887 1.00 22.21 H new ATOM 0 HG2 GLU A 84 5.688 -12.568 -23.323 1.00 40.44 H new ATOM 0 HG3 GLU A 84 5.368 -11.125 -22.382 1.00 40.44 H new ATOM 1326 N LYS A 85 8.672 -13.597 -22.397 1.00 25.23 N ATOM 1327 CA LYS A 85 8.689 -14.857 -21.662 1.00 51.41 C ATOM 1328 C LYS A 85 8.578 -14.612 -20.161 1.00 22.14 C ATOM 1329 O LYS A 85 9.388 -13.890 -19.578 1.00 35.33 O ATOM 1330 CB LYS A 85 9.971 -15.634 -21.970 1.00 12.31 C ATOM 1331 CG LYS A 85 9.881 -16.482 -23.226 1.00 73.43 C ATOM 1332 CD LYS A 85 9.064 -17.742 -22.991 1.00 52.21 C ATOM 1333 CE LYS A 85 9.904 -18.841 -22.360 1.00 30.33 C ATOM 1334 NZ LYS A 85 9.868 -18.782 -20.872 1.00 52.02 N ATOM 0 H LYS A 85 9.193 -12.842 -21.951 1.00 25.23 H new ATOM 0 HA LYS A 85 7.829 -15.447 -21.981 1.00 51.41 H new ATOM 0 HB2 LYS A 85 10.796 -14.930 -22.076 1.00 12.31 H new ATOM 0 HB3 LYS A 85 10.208 -16.278 -21.123 1.00 12.31 H new ATOM 0 HG2 LYS A 85 9.429 -15.899 -24.028 1.00 73.43 H new ATOM 0 HG3 LYS A 85 10.884 -16.754 -23.555 1.00 73.43 H new ATOM 0 HD2 LYS A 85 8.218 -17.513 -22.344 1.00 52.21 H new ATOM 0 HD3 LYS A 85 8.655 -18.094 -23.938 1.00 52.21 H new ATOM 0 HE2 LYS A 85 9.540 -19.813 -22.694 1.00 30.33 H new ATOM 0 HE3 LYS A 85 10.935 -18.752 -22.702 1.00 30.33 H new ATOM 0 HZ1 LYS A 85 10.723 -18.304 -20.523 1.00 52.02 H new ATOM 0 HZ2 LYS A 85 9.026 -18.254 -20.566 1.00 52.02 H new ATOM 0 HZ3 LYS A 85 9.830 -19.747 -20.487 1.00 52.02 H new ATOM 1348 N VAL A 86 7.572 -15.219 -19.539 1.00 60.02 N ATOM 1349 CA VAL A 86 7.357 -15.069 -18.105 1.00 24.21 C ATOM 1350 C VAL A 86 8.278 -15.990 -17.312 1.00 44.22 C ATOM 1351 O VAL A 86 8.128 -17.212 -17.344 1.00 0.45 O ATOM 1352 CB VAL A 86 5.896 -15.369 -17.722 1.00 20.23 C ATOM 1353 CG1 VAL A 86 5.693 -15.208 -16.223 1.00 21.32 C ATOM 1354 CG2 VAL A 86 4.947 -14.468 -18.496 1.00 53.24 C ATOM 0 H VAL A 86 6.893 -15.820 -20.006 1.00 60.02 H new ATOM 0 HA VAL A 86 7.584 -14.032 -17.858 1.00 24.21 H new ATOM 0 HB VAL A 86 5.675 -16.403 -17.985 1.00 20.23 H new ATOM 0 HG11 VAL A 86 4.655 -15.424 -15.971 1.00 21.32 H new ATOM 0 HG12 VAL A 86 6.347 -15.899 -15.691 1.00 21.32 H new ATOM 0 HG13 VAL A 86 5.932 -14.185 -15.931 1.00 21.32 H new ATOM 0 HG21 VAL A 86 3.919 -14.694 -18.213 1.00 53.24 H new ATOM 0 HG22 VAL A 86 5.166 -13.425 -18.266 1.00 53.24 H new ATOM 0 HG23 VAL A 86 5.075 -14.638 -19.565 1.00 53.24 H new ATOM 1364 N ILE A 87 9.231 -15.396 -16.602 1.00 44.42 N ATOM 1365 CA ILE A 87 10.176 -16.163 -15.800 1.00 1.53 C ATOM 1366 C ILE A 87 10.058 -15.807 -14.322 1.00 14.44 C ATOM 1367 O ILE A 87 9.441 -14.803 -13.961 1.00 31.33 O ATOM 1368 CB ILE A 87 11.627 -15.925 -16.259 1.00 20.45 C ATOM 1369 CG1 ILE A 87 11.948 -14.429 -16.256 1.00 32.31 C ATOM 1370 CG2 ILE A 87 11.848 -16.518 -17.642 1.00 44.33 C ATOM 1371 CD1 ILE A 87 13.389 -14.120 -16.597 1.00 14.31 C ATOM 0 H ILE A 87 9.369 -14.386 -16.566 1.00 44.42 H new ATOM 0 HA ILE A 87 9.927 -17.215 -15.939 1.00 1.53 H new ATOM 0 HB ILE A 87 12.300 -16.422 -15.560 1.00 20.45 H new ATOM 0 HG12 ILE A 87 11.298 -13.925 -16.971 1.00 32.31 H new ATOM 0 HG13 ILE A 87 11.720 -14.019 -15.272 1.00 32.31 H new ATOM 0 HG21 ILE A 87 12.878 -16.342 -17.953 1.00 44.33 H new ATOM 0 HG22 ILE A 87 11.656 -17.591 -17.613 1.00 44.33 H new ATOM 0 HG23 ILE A 87 11.169 -16.047 -18.353 1.00 44.33 H new ATOM 0 HD11 ILE A 87 13.545 -13.041 -16.576 1.00 14.31 H new ATOM 0 HD12 ILE A 87 14.045 -14.596 -15.868 1.00 14.31 H new ATOM 0 HD13 ILE A 87 13.617 -14.500 -17.593 1.00 14.31 H new ATOM 1383 N LEU A 88 10.653 -16.634 -13.470 1.00 65.01 N ATOM 1384 CA LEU A 88 10.617 -16.406 -12.030 1.00 30.24 C ATOM 1385 C LEU A 88 11.847 -15.629 -11.570 1.00 35.41 C ATOM 1386 O LEU A 88 11.790 -14.874 -10.600 1.00 1.35 O ATOM 1387 CB LEU A 88 10.534 -17.740 -11.285 1.00 11.55 C ATOM 1388 CG LEU A 88 9.143 -18.366 -11.183 1.00 13.14 C ATOM 1389 CD1 LEU A 88 8.808 -19.133 -12.452 1.00 65.33 C ATOM 1390 CD2 LEU A 88 9.056 -19.278 -9.968 1.00 2.05 C ATOM 0 H LEU A 88 11.167 -17.469 -13.752 1.00 65.01 H new ATOM 0 HA LEU A 88 9.731 -15.814 -11.803 1.00 30.24 H new ATOM 0 HB2 LEU A 88 11.195 -18.451 -11.780 1.00 11.55 H new ATOM 0 HB3 LEU A 88 10.920 -17.594 -10.276 1.00 11.55 H new ATOM 0 HG LEU A 88 8.413 -17.565 -11.064 1.00 13.14 H new ATOM 0 HD11 LEU A 88 7.814 -19.571 -12.361 1.00 65.33 H new ATOM 0 HD12 LEU A 88 8.828 -18.453 -13.304 1.00 65.33 H new ATOM 0 HD13 LEU A 88 9.541 -19.925 -12.603 1.00 65.33 H new ATOM 0 HD21 LEU A 88 8.059 -19.715 -9.912 1.00 2.05 H new ATOM 0 HD22 LEU A 88 9.796 -20.073 -10.056 1.00 2.05 H new ATOM 0 HD23 LEU A 88 9.251 -18.700 -9.065 1.00 2.05 H new ATOM 1402 N LYS A 89 12.957 -15.819 -12.274 1.00 41.13 N ATOM 1403 CA LYS A 89 14.201 -15.134 -11.942 1.00 33.11 C ATOM 1404 C LYS A 89 14.955 -14.732 -13.205 1.00 61.33 C ATOM 1405 O LYS A 89 14.964 -15.466 -14.195 1.00 2.31 O ATOM 1406 CB LYS A 89 15.084 -16.031 -11.071 1.00 52.22 C ATOM 1407 CG LYS A 89 14.448 -16.406 -9.744 1.00 2.13 C ATOM 1408 CD LYS A 89 15.203 -17.536 -9.064 1.00 35.31 C ATOM 1409 CE LYS A 89 14.777 -17.696 -7.612 1.00 63.33 C ATOM 1410 NZ LYS A 89 13.444 -18.349 -7.494 1.00 21.13 N ATOM 0 H LYS A 89 13.021 -16.442 -13.079 1.00 41.13 H new ATOM 0 HA LYS A 89 13.952 -14.230 -11.386 1.00 33.11 H new ATOM 0 HB2 LYS A 89 15.318 -16.942 -11.622 1.00 52.22 H new ATOM 0 HB3 LYS A 89 16.029 -15.522 -10.881 1.00 52.22 H new ATOM 0 HG2 LYS A 89 14.429 -15.535 -9.090 1.00 2.13 H new ATOM 0 HG3 LYS A 89 13.413 -16.705 -9.907 1.00 2.13 H new ATOM 0 HD2 LYS A 89 15.026 -18.468 -9.601 1.00 35.31 H new ATOM 0 HD3 LYS A 89 16.274 -17.339 -9.111 1.00 35.31 H new ATOM 0 HE2 LYS A 89 15.520 -18.289 -7.079 1.00 63.33 H new ATOM 0 HE3 LYS A 89 14.746 -16.718 -7.133 1.00 63.33 H new ATOM 0 HZ1 LYS A 89 13.190 -18.440 -6.490 1.00 21.13 H new ATOM 0 HZ2 LYS A 89 12.730 -17.771 -7.981 1.00 21.13 H new ATOM 0 HZ3 LYS A 89 13.480 -19.293 -7.929 1.00 21.13 H new ATOM 1424 N LEU A 90 15.588 -13.565 -13.165 1.00 12.01 N ATOM 1425 CA LEU A 90 16.347 -13.066 -14.306 1.00 70.35 C ATOM 1426 C LEU A 90 17.713 -13.741 -14.389 1.00 14.32 C ATOM 1427 O LEU A 90 18.472 -13.747 -13.420 1.00 21.42 O ATOM 1428 CB LEU A 90 16.520 -11.550 -14.206 1.00 54.30 C ATOM 1429 CG LEU A 90 15.270 -10.756 -13.825 1.00 13.34 C ATOM 1430 CD1 LEU A 90 15.627 -9.307 -13.532 1.00 55.40 C ATOM 1431 CD2 LEU A 90 14.228 -10.837 -14.931 1.00 32.53 C ATOM 0 H LEU A 90 15.591 -12.946 -12.354 1.00 12.01 H new ATOM 0 HA LEU A 90 15.790 -13.302 -15.212 1.00 70.35 H new ATOM 0 HB2 LEU A 90 17.297 -11.341 -13.471 1.00 54.30 H new ATOM 0 HB3 LEU A 90 16.882 -11.181 -15.166 1.00 54.30 H new ATOM 0 HG LEU A 90 14.846 -11.195 -12.922 1.00 13.34 H new ATOM 0 HD11 LEU A 90 14.725 -8.757 -13.263 1.00 55.40 H new ATOM 0 HD12 LEU A 90 16.337 -9.267 -12.706 1.00 55.40 H new ATOM 0 HD13 LEU A 90 16.076 -8.857 -14.417 1.00 55.40 H new ATOM 0 HD21 LEU A 90 13.346 -10.266 -14.642 1.00 32.53 H new ATOM 0 HD22 LEU A 90 14.642 -10.425 -15.851 1.00 32.53 H new ATOM 0 HD23 LEU A 90 13.949 -11.878 -15.093 1.00 32.53 H new ATOM 1443 N ASP A 91 18.019 -14.305 -15.552 1.00 12.03 N ATOM 1444 CA ASP A 91 19.295 -14.979 -15.762 1.00 74.21 C ATOM 1445 C ASP A 91 20.460 -14.033 -15.493 1.00 43.45 C ATOM 1446 O ASP A 91 21.544 -14.463 -15.097 1.00 13.42 O ATOM 1447 CB ASP A 91 19.380 -15.521 -17.190 1.00 21.22 C ATOM 1448 CG ASP A 91 20.561 -16.451 -17.386 1.00 71.42 C ATOM 1449 OD1 ASP A 91 21.661 -15.954 -17.705 1.00 72.04 O ATOM 1450 OD2 ASP A 91 20.385 -17.677 -17.222 1.00 20.04 O ATOM 0 H ASP A 91 17.401 -14.309 -16.364 1.00 12.03 H new ATOM 0 HA ASP A 91 19.358 -15.812 -15.061 1.00 74.21 H new ATOM 0 HB2 ASP A 91 18.459 -16.052 -17.429 1.00 21.22 H new ATOM 0 HB3 ASP A 91 19.458 -14.687 -17.888 1.00 21.22 H new ATOM 1455 N TYR A 92 20.231 -12.743 -15.713 1.00 51.23 N ATOM 1456 CA TYR A 92 21.263 -11.735 -15.498 1.00 71.54 C ATOM 1457 C TYR A 92 21.002 -10.954 -14.215 1.00 1.53 C ATOM 1458 O TYR A 92 19.876 -10.908 -13.720 1.00 72.21 O ATOM 1459 CB TYR A 92 21.325 -10.777 -16.689 1.00 22.01 C ATOM 1460 CG TYR A 92 21.769 -11.437 -17.975 1.00 2.31 C ATOM 1461 CD1 TYR A 92 20.896 -12.231 -18.708 1.00 42.14 C ATOM 1462 CD2 TYR A 92 23.061 -11.267 -18.456 1.00 4.01 C ATOM 1463 CE1 TYR A 92 21.297 -12.836 -19.884 1.00 25.44 C ATOM 1464 CE2 TYR A 92 23.471 -11.867 -19.631 1.00 31.22 C ATOM 1465 CZ TYR A 92 22.586 -12.651 -20.341 1.00 35.12 C ATOM 1466 OH TYR A 92 22.990 -13.252 -21.511 1.00 10.12 O ATOM 0 H TYR A 92 19.340 -12.370 -16.040 1.00 51.23 H new ATOM 0 HA TYR A 92 22.221 -12.246 -15.402 1.00 71.54 H new ATOM 0 HB2 TYR A 92 20.341 -10.333 -16.839 1.00 22.01 H new ATOM 0 HB3 TYR A 92 22.009 -9.962 -16.454 1.00 22.01 H new ATOM 0 HD1 TYR A 92 19.887 -12.378 -18.353 1.00 42.14 H new ATOM 0 HD2 TYR A 92 23.757 -10.655 -17.902 1.00 4.01 H new ATOM 0 HE1 TYR A 92 20.606 -13.450 -20.442 1.00 25.44 H new ATOM 0 HE2 TYR A 92 24.479 -11.723 -19.991 1.00 31.22 H new ATOM 0 HH TYR A 92 22.484 -12.878 -22.262 1.00 10.12 H new ATOM 1476 N SER A 93 22.052 -10.338 -13.681 1.00 24.45 N ATOM 1477 CA SER A 93 21.939 -9.560 -12.453 1.00 24.14 C ATOM 1478 C SER A 93 22.043 -8.066 -12.745 1.00 23.34 C ATOM 1479 O SER A 93 21.477 -7.241 -12.027 1.00 25.40 O ATOM 1480 CB SER A 93 23.027 -9.974 -11.460 1.00 22.04 C ATOM 1481 OG SER A 93 22.922 -11.349 -11.132 1.00 10.45 O ATOM 0 H SER A 93 22.991 -10.363 -14.080 1.00 24.45 H new ATOM 0 HA SER A 93 20.961 -9.760 -12.014 1.00 24.14 H new ATOM 0 HB2 SER A 93 24.009 -9.773 -11.887 1.00 22.04 H new ATOM 0 HB3 SER A 93 22.944 -9.373 -10.554 1.00 22.04 H new ATOM 0 HG SER A 93 23.629 -11.589 -10.498 1.00 10.45 H new ATOM 1487 N ASP A 94 22.770 -7.726 -13.803 1.00 64.21 N ATOM 1488 CA ASP A 94 22.949 -6.332 -14.192 1.00 72.23 C ATOM 1489 C ASP A 94 23.095 -6.205 -15.705 1.00 51.25 C ATOM 1490 O ASP A 94 23.454 -7.165 -16.388 1.00 11.31 O ATOM 1491 CB ASP A 94 24.175 -5.739 -13.497 1.00 65.33 C ATOM 1492 CG ASP A 94 25.406 -6.612 -13.650 1.00 35.44 C ATOM 1493 OD1 ASP A 94 25.501 -7.332 -14.666 1.00 52.22 O ATOM 1494 OD2 ASP A 94 26.273 -6.576 -12.753 1.00 3.44 O ATOM 0 H ASP A 94 23.245 -8.397 -14.407 1.00 64.21 H new ATOM 0 HA ASP A 94 22.063 -5.778 -13.883 1.00 72.23 H new ATOM 0 HB2 ASP A 94 24.380 -4.751 -13.909 1.00 65.33 H new ATOM 0 HB3 ASP A 94 23.958 -5.604 -12.437 1.00 65.33 H new ATOM 1499 N PHE A 95 22.813 -5.014 -16.224 1.00 24.11 N ATOM 1500 CA PHE A 95 22.911 -4.762 -17.657 1.00 4.53 C ATOM 1501 C PHE A 95 24.367 -4.581 -18.079 1.00 34.11 C ATOM 1502 O PHE A 95 25.147 -3.926 -17.388 1.00 54.15 O ATOM 1503 CB PHE A 95 22.102 -3.519 -18.034 1.00 35.33 C ATOM 1504 CG PHE A 95 21.680 -3.493 -19.475 1.00 63.02 C ATOM 1505 CD1 PHE A 95 22.605 -3.241 -20.476 1.00 73.23 C ATOM 1506 CD2 PHE A 95 20.360 -3.721 -19.829 1.00 43.43 C ATOM 1507 CE1 PHE A 95 22.219 -3.216 -21.803 1.00 45.33 C ATOM 1508 CE2 PHE A 95 19.969 -3.697 -21.155 1.00 2.22 C ATOM 1509 CZ PHE A 95 20.900 -3.445 -22.143 1.00 44.01 C ATOM 0 H PHE A 95 22.515 -4.209 -15.674 1.00 24.11 H new ATOM 0 HA PHE A 95 22.503 -5.626 -18.181 1.00 4.53 H new ATOM 0 HB2 PHE A 95 21.215 -3.468 -17.403 1.00 35.33 H new ATOM 0 HB3 PHE A 95 22.696 -2.630 -17.822 1.00 35.33 H new ATOM 0 HD1 PHE A 95 23.638 -3.062 -20.216 1.00 73.23 H new ATOM 0 HD2 PHE A 95 19.628 -3.920 -19.060 1.00 43.43 H new ATOM 0 HE1 PHE A 95 22.949 -3.017 -22.574 1.00 45.33 H new ATOM 0 HE2 PHE A 95 18.937 -3.875 -21.418 1.00 2.22 H new ATOM 0 HZ PHE A 95 20.597 -3.427 -23.180 1.00 44.01 H new ATOM 1519 N GLN A 96 24.723 -5.168 -19.217 1.00 4.12 N ATOM 1520 CA GLN A 96 26.085 -5.073 -19.730 1.00 72.25 C ATOM 1521 C GLN A 96 26.092 -5.069 -21.256 1.00 22.24 C ATOM 1522 O GLN A 96 25.154 -5.550 -21.892 1.00 31.35 O ATOM 1523 CB GLN A 96 26.932 -6.235 -19.208 1.00 14.24 C ATOM 1524 CG GLN A 96 28.424 -5.946 -19.203 1.00 0.22 C ATOM 1525 CD GLN A 96 28.824 -4.962 -18.121 1.00 44.24 C ATOM 1526 OE1 GLN A 96 29.484 -3.958 -18.393 1.00 12.24 O ATOM 1527 NE2 GLN A 96 28.427 -5.245 -16.886 1.00 51.24 N ATOM 0 H GLN A 96 24.089 -5.713 -19.801 1.00 4.12 H new ATOM 0 HA GLN A 96 26.514 -4.134 -19.379 1.00 72.25 H new ATOM 0 HB2 GLN A 96 26.614 -6.479 -18.194 1.00 14.24 H new ATOM 0 HB3 GLN A 96 26.743 -7.116 -19.822 1.00 14.24 H new ATOM 0 HG2 GLN A 96 28.970 -6.878 -19.061 1.00 0.22 H new ATOM 0 HG3 GLN A 96 28.717 -5.550 -20.175 1.00 0.22 H new ATOM 0 HE21 GLN A 96 27.882 -6.088 -16.706 1.00 51.24 H new ATOM 0 HE22 GLN A 96 28.667 -4.619 -16.117 1.00 51.24 H new ATOM 1536 N ILE A 97 27.156 -4.523 -21.836 1.00 34.24 N ATOM 1537 CA ILE A 97 27.285 -4.458 -23.286 1.00 54.50 C ATOM 1538 C ILE A 97 28.183 -5.573 -23.809 1.00 73.41 C ATOM 1539 O ILE A 97 29.176 -5.933 -23.177 1.00 62.13 O ATOM 1540 CB ILE A 97 27.854 -3.100 -23.740 1.00 31.42 C ATOM 1541 CG1 ILE A 97 27.016 -1.955 -23.168 1.00 45.50 C ATOM 1542 CG2 ILE A 97 27.897 -3.025 -25.259 1.00 22.33 C ATOM 1543 CD1 ILE A 97 27.607 -0.586 -23.427 1.00 64.43 C ATOM 0 H ILE A 97 27.940 -4.120 -21.324 1.00 34.24 H new ATOM 0 HA ILE A 97 26.283 -4.579 -23.698 1.00 54.50 H new ATOM 0 HB ILE A 97 28.872 -3.004 -23.362 1.00 31.42 H new ATOM 0 HG12 ILE A 97 26.016 -1.997 -23.599 1.00 45.50 H new ATOM 0 HG13 ILE A 97 26.907 -2.097 -22.093 1.00 45.50 H new ATOM 0 HG21 ILE A 97 28.301 -2.060 -25.564 1.00 22.33 H new ATOM 0 HG22 ILE A 97 28.532 -3.823 -25.645 1.00 22.33 H new ATOM 0 HG23 ILE A 97 26.889 -3.139 -25.658 1.00 22.33 H new ATOM 0 HD11 ILE A 97 26.961 0.177 -22.994 1.00 64.43 H new ATOM 0 HD12 ILE A 97 28.596 -0.525 -22.973 1.00 64.43 H new ATOM 0 HD13 ILE A 97 27.691 -0.423 -24.502 1.00 64.43 H new ATOM 1555 N VAL A 98 27.827 -6.117 -24.969 1.00 4.10 N ATOM 1556 CA VAL A 98 28.603 -7.190 -25.580 1.00 34.24 C ATOM 1557 C VAL A 98 29.655 -6.635 -26.533 1.00 11.44 C ATOM 1558 O VAL A 98 29.367 -5.763 -27.353 1.00 4.51 O ATOM 1559 CB VAL A 98 27.696 -8.170 -26.348 1.00 62.21 C ATOM 1560 CG1 VAL A 98 28.519 -9.300 -26.948 1.00 71.20 C ATOM 1561 CG2 VAL A 98 26.609 -8.717 -25.435 1.00 63.42 C ATOM 0 H VAL A 98 27.007 -5.832 -25.504 1.00 4.10 H new ATOM 0 HA VAL A 98 29.099 -7.724 -24.769 1.00 34.24 H new ATOM 0 HB VAL A 98 27.215 -7.630 -27.164 1.00 62.21 H new ATOM 0 HG11 VAL A 98 27.862 -9.982 -27.487 1.00 71.20 H new ATOM 0 HG12 VAL A 98 29.256 -8.887 -27.636 1.00 71.20 H new ATOM 0 HG13 VAL A 98 29.029 -9.841 -26.151 1.00 71.20 H new ATOM 0 HG21 VAL A 98 25.978 -9.408 -25.994 1.00 63.42 H new ATOM 0 HG22 VAL A 98 27.068 -9.242 -24.597 1.00 63.42 H new ATOM 0 HG23 VAL A 98 26.002 -7.894 -25.059 1.00 63.42 H new ATOM 1571 N LYS A 99 30.876 -7.145 -26.420 1.00 22.54 N ATOM 1572 CA LYS A 99 31.973 -6.703 -27.272 1.00 2.31 C ATOM 1573 C LYS A 99 31.977 -7.465 -28.593 1.00 43.33 C ATOM 1574 O LYS A 99 31.686 -8.660 -28.632 1.00 72.34 O ATOM 1575 CB LYS A 99 33.312 -6.895 -26.556 1.00 41.11 C ATOM 1576 CG LYS A 99 34.518 -6.657 -27.448 1.00 3.11 C ATOM 1577 CD LYS A 99 35.790 -6.489 -26.633 1.00 52.21 C ATOM 1578 CE LYS A 99 36.473 -7.825 -26.384 1.00 13.24 C ATOM 1579 NZ LYS A 99 35.868 -8.550 -25.232 1.00 62.31 N ATOM 0 H LYS A 99 31.131 -7.866 -25.745 1.00 22.54 H new ATOM 0 HA LYS A 99 31.830 -5.643 -27.484 1.00 2.31 H new ATOM 0 HB2 LYS A 99 33.360 -6.216 -25.705 1.00 41.11 H new ATOM 0 HB3 LYS A 99 33.359 -7.909 -26.158 1.00 41.11 H new ATOM 0 HG2 LYS A 99 34.634 -7.494 -28.136 1.00 3.11 H new ATOM 0 HG3 LYS A 99 34.353 -5.766 -28.054 1.00 3.11 H new ATOM 0 HD2 LYS A 99 36.474 -5.822 -27.157 1.00 52.21 H new ATOM 0 HD3 LYS A 99 35.553 -6.017 -25.679 1.00 52.21 H new ATOM 0 HE2 LYS A 99 36.402 -8.442 -27.280 1.00 13.24 H new ATOM 0 HE3 LYS A 99 37.534 -7.661 -26.194 1.00 13.24 H new ATOM 0 HZ1 LYS A 99 36.579 -9.177 -24.804 1.00 62.31 H new ATOM 0 HZ2 LYS A 99 35.540 -7.863 -24.523 1.00 62.31 H new ATOM 0 HZ3 LYS A 99 35.062 -9.117 -25.563 1.00 62.31 H new TER 1593 LYS A 99