USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 739 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 Single : A 6 SER OG : rot 27:sc= 0.274 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.143 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 152:sc= -0.0974 (180deg=-1.82!) USER MOD Single : A 19 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00154) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.4 K(o=0.4,f=-0.26) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -2.22 K(o=-2.2,f=-5!) USER MOD Single : A 31 GLN : amide:sc= -0.236 X(o=-0.24,f=-0.23) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 180:sc= -0.636 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 32:sc= 0.0403 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.139 USER MOD Single : A 60 HIS : no HE2:sc= 1.02 K(o=1,f=-4.5!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.296 X(o=-0.3,f=-0.18) USER MOD Single : A 65 ASN : amide:sc= -0.491 X(o=-0.49,f=-0.084) USER MOD Single : A 67 ASN : amide:sc=-0.00919 X(o=-0.0092,f=-0.3) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0.376 X(o=0.38,f=-0.039) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.226 X(o=-0.23,f=-0.014) USER MOD Single : A 87 THR OG1 : rot 43:sc= 0.0334 USER MOD Single : A 90 TYR OH : rot 65:sc= 0.242 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc=-0.00188 USER MOD Single : A 100 SER OG : rot 85:sc= 1.3 USER MOD Single : A 101 ASN : amide:sc= 0.39 K(o=0.39,f=-0.13) USER MOD Single : A 102 GLN : amide:sc= 1.21 K(o=1.2,f=-0.64) USER MOD Single : A 108 ASN : amide:sc= 0.371 X(o=0.37,f=-0.028) USER MOD Single : A 109 TYR OH : rot 18:sc= 1.34 USER MOD Single : A 117 LYS NZ :NH3+ 178:sc= 0.903 (180deg=0.901) USER MOD Single : A 119 SER OG : rot 180:sc= 0.0684 USER MOD ----------------------------------------------------------------- ATOM 63 N SER A 6 -8.132 -13.687 -12.460 1.00 33.40 N ATOM 64 CA SER A 6 -7.427 -13.549 -11.203 1.00 33.14 C ATOM 65 C SER A 6 -6.671 -14.856 -10.940 1.00 51.14 C ATOM 66 O SER A 6 -7.215 -15.794 -10.358 1.00 51.23 O ATOM 67 CB SER A 6 -8.434 -13.248 -10.090 1.00 21.34 C ATOM 68 OG SER A 6 -9.351 -12.236 -10.469 1.00 12.41 O ATOM 0 HA SER A 6 -6.713 -12.726 -11.236 1.00 33.14 H new ATOM 0 HB2 SER A 6 -8.980 -14.157 -9.838 1.00 21.34 H new ATOM 0 HB3 SER A 6 -7.901 -12.937 -9.192 1.00 21.34 H new ATOM 0 HG SER A 6 -9.452 -12.234 -11.444 1.00 12.41 H new ATOM 73 N ASP A 7 -5.427 -14.921 -11.403 1.00 11.12 N ATOM 74 CA ASP A 7 -4.571 -16.118 -11.393 1.00 42.32 C ATOM 75 C ASP A 7 -3.244 -15.823 -10.703 1.00 34.30 C ATOM 76 O ASP A 7 -2.189 -16.402 -10.956 1.00 62.24 O ATOM 77 CB ASP A 7 -4.377 -16.614 -12.826 1.00 15.54 C ATOM 78 CG ASP A 7 -4.491 -18.135 -12.901 1.00 42.45 C ATOM 79 OD1 ASP A 7 -5.548 -18.655 -12.474 1.00 35.42 O ATOM 80 OD2 ASP A 7 -3.506 -18.802 -13.297 1.00 42.44 O ATOM 0 H ASP A 7 -4.962 -14.112 -11.814 1.00 11.12 H new ATOM 0 HA ASP A 7 -5.054 -16.911 -10.822 1.00 42.32 H new ATOM 0 HB2 ASP A 7 -5.123 -16.158 -13.476 1.00 15.54 H new ATOM 0 HB3 ASP A 7 -3.400 -16.301 -13.193 1.00 15.54 H new ATOM 84 N THR A 8 -3.263 -14.765 -9.920 1.00 13.53 N ATOM 85 CA THR A 8 -2.184 -14.356 -9.037 1.00 14.11 C ATOM 86 C THR A 8 -2.051 -15.341 -7.859 1.00 40.24 C ATOM 87 O THR A 8 -3.043 -15.961 -7.463 1.00 14.11 O ATOM 88 CB THR A 8 -2.450 -12.933 -8.518 1.00 41.55 C ATOM 89 OG1 THR A 8 -3.838 -12.665 -8.523 1.00 14.43 O ATOM 90 CG2 THR A 8 -1.773 -11.877 -9.379 1.00 20.31 C ATOM 0 H THR A 8 -4.065 -14.137 -9.878 1.00 13.53 H new ATOM 0 HA THR A 8 -1.248 -14.361 -9.595 1.00 14.11 H new ATOM 0 HB THR A 8 -2.044 -12.887 -7.507 1.00 41.55 H new ATOM 0 HG1 THR A 8 -3.997 -11.757 -8.189 1.00 14.43 H new ATOM 0 HG21 THR A 8 -1.987 -10.887 -8.976 1.00 20.31 H new ATOM 0 HG22 THR A 8 -0.696 -12.043 -9.379 1.00 20.31 H new ATOM 0 HG23 THR A 8 -2.150 -11.943 -10.400 1.00 20.31 H new ATOM 98 N PRO A 9 -0.867 -15.394 -7.235 1.00 31.30 N ATOM 99 CA PRO A 9 -0.571 -16.192 -6.046 1.00 61.03 C ATOM 100 C PRO A 9 -1.398 -15.780 -4.817 1.00 33.02 C ATOM 101 O PRO A 9 -2.177 -14.817 -4.850 1.00 13.43 O ATOM 102 CB PRO A 9 0.942 -16.028 -5.849 1.00 1.14 C ATOM 103 CG PRO A 9 1.286 -14.722 -6.551 1.00 71.15 C ATOM 104 CD PRO A 9 0.327 -14.718 -7.711 1.00 55.21 C ATOM 0 HA PRO A 9 -0.850 -17.238 -6.176 1.00 61.03 H new ATOM 0 HB2 PRO A 9 1.201 -15.989 -4.791 1.00 1.14 H new ATOM 0 HB3 PRO A 9 1.490 -16.865 -6.281 1.00 1.14 H new ATOM 0 HG2 PRO A 9 1.140 -13.860 -5.900 1.00 71.15 H new ATOM 0 HG3 PRO A 9 2.324 -14.700 -6.882 1.00 71.15 H new ATOM 0 HD2 PRO A 9 0.101 -13.700 -8.028 1.00 55.21 H new ATOM 0 HD3 PRO A 9 0.752 -15.233 -8.572 1.00 55.21 H new ATOM 109 N LYS A 10 -1.220 -16.523 -3.718 1.00 35.24 N ATOM 110 CA LYS A 10 -1.873 -16.323 -2.427 1.00 34.34 C ATOM 111 C LYS A 10 -0.813 -16.035 -1.383 1.00 21.22 C ATOM 112 O LYS A 10 0.187 -16.754 -1.315 1.00 71.21 O ATOM 113 CB LYS A 10 -2.744 -17.530 -2.041 1.00 64.02 C ATOM 114 CG LYS A 10 -3.933 -17.692 -3.002 1.00 31.32 C ATOM 115 CD LYS A 10 -3.761 -18.808 -4.042 1.00 40.24 C ATOM 116 CE LYS A 10 -4.362 -20.101 -3.486 1.00 42.52 C ATOM 117 NZ LYS A 10 -4.455 -21.180 -4.491 1.00 1.42 N ATOM 0 H LYS A 10 -0.583 -17.320 -3.709 1.00 35.24 H new ATOM 0 HA LYS A 10 -2.549 -15.470 -2.492 1.00 34.34 H new ATOM 0 HB2 LYS A 10 -2.139 -18.436 -2.052 1.00 64.02 H new ATOM 0 HB3 LYS A 10 -3.111 -17.405 -1.022 1.00 64.02 H new ATOM 0 HG2 LYS A 10 -4.832 -17.892 -2.418 1.00 31.32 H new ATOM 0 HG3 LYS A 10 -4.094 -16.748 -3.523 1.00 31.32 H new ATOM 0 HD2 LYS A 10 -4.254 -18.534 -4.974 1.00 40.24 H new ATOM 0 HD3 LYS A 10 -2.705 -18.951 -4.270 1.00 40.24 H new ATOM 0 HE2 LYS A 10 -3.755 -20.445 -2.648 1.00 42.52 H new ATOM 0 HE3 LYS A 10 -5.357 -19.892 -3.094 1.00 42.52 H new ATOM 0 HZ1 LYS A 10 -4.869 -22.027 -4.053 1.00 1.42 H new ATOM 0 HZ2 LYS A 10 -5.057 -20.869 -5.280 1.00 1.42 H new ATOM 0 HZ3 LYS A 10 -3.504 -21.405 -4.848 1.00 1.42 H new ATOM 127 N VAL A 11 -0.965 -14.910 -0.685 1.00 54.11 N ATOM 128 CA VAL A 11 0.005 -14.431 0.289 1.00 54.24 C ATOM 129 C VAL A 11 0.002 -15.432 1.444 1.00 14.21 C ATOM 130 O VAL A 11 -1.071 -15.817 1.913 1.00 24.00 O ATOM 131 CB VAL A 11 -0.361 -12.999 0.738 1.00 35.14 C ATOM 132 CG1 VAL A 11 0.619 -12.417 1.760 1.00 64.13 C ATOM 133 CG2 VAL A 11 -0.398 -12.010 -0.441 1.00 42.25 C ATOM 0 H VAL A 11 -1.777 -14.301 -0.784 1.00 54.11 H new ATOM 0 HA VAL A 11 1.009 -14.368 -0.130 1.00 54.24 H new ATOM 0 HB VAL A 11 -1.348 -13.110 1.188 1.00 35.14 H new ATOM 0 HG11 VAL A 11 0.304 -11.410 2.033 1.00 64.13 H new ATOM 0 HG12 VAL A 11 0.633 -13.047 2.650 1.00 64.13 H new ATOM 0 HG13 VAL A 11 1.618 -12.380 1.326 1.00 64.13 H new ATOM 0 HG21 VAL A 11 -0.660 -11.017 -0.075 1.00 42.25 H new ATOM 0 HG22 VAL A 11 0.582 -11.975 -0.917 1.00 42.25 H new ATOM 0 HG23 VAL A 11 -1.142 -12.337 -1.167 1.00 42.25 H new ATOM 143 N THR A 12 1.184 -15.839 1.903 1.00 52.52 N ATOM 144 CA THR A 12 1.343 -16.800 2.989 1.00 51.12 C ATOM 145 C THR A 12 2.154 -16.242 4.159 1.00 13.50 C ATOM 146 O THR A 12 2.226 -16.891 5.205 1.00 61.31 O ATOM 147 CB THR A 12 1.853 -18.151 2.451 1.00 40.12 C ATOM 148 OG1 THR A 12 2.967 -18.058 1.581 1.00 0.14 O ATOM 149 CG2 THR A 12 0.755 -18.811 1.629 1.00 33.12 C ATOM 0 H THR A 12 2.070 -15.505 1.524 1.00 52.52 H new ATOM 0 HA THR A 12 0.360 -16.992 3.418 1.00 51.12 H new ATOM 0 HB THR A 12 2.146 -18.712 3.339 1.00 40.12 H new ATOM 0 HG1 THR A 12 3.228 -18.956 1.287 1.00 0.14 H new ATOM 0 HG21 THR A 12 1.112 -19.767 1.246 1.00 33.12 H new ATOM 0 HG22 THR A 12 -0.121 -18.975 2.257 1.00 33.12 H new ATOM 0 HG23 THR A 12 0.486 -18.164 0.794 1.00 33.12 H new ATOM 157 N GLY A 13 2.673 -15.015 4.053 1.00 23.34 N ATOM 158 CA GLY A 13 3.168 -14.257 5.191 1.00 40.21 C ATOM 159 C GLY A 13 3.184 -12.771 4.864 1.00 23.02 C ATOM 160 O GLY A 13 3.397 -12.389 3.711 1.00 34.22 O ATOM 0 H GLY A 13 2.759 -14.522 3.164 1.00 23.34 H new ATOM 0 HA2 GLY A 13 2.537 -14.439 6.061 1.00 40.21 H new ATOM 0 HA3 GLY A 13 4.173 -14.591 5.451 1.00 40.21 H new ATOM 164 N LEU A 14 2.987 -11.937 5.883 1.00 1.44 N ATOM 165 CA LEU A 14 3.133 -10.489 5.840 1.00 63.21 C ATOM 166 C LEU A 14 3.979 -10.104 7.053 1.00 61.22 C ATOM 167 O LEU A 14 3.673 -10.537 8.170 1.00 12.23 O ATOM 168 CB LEU A 14 1.767 -9.778 5.866 1.00 32.31 C ATOM 169 CG LEU A 14 0.885 -10.039 4.624 1.00 14.12 C ATOM 170 CD1 LEU A 14 -0.089 -11.205 4.861 1.00 41.23 C ATOM 171 CD2 LEU A 14 0.052 -8.803 4.252 1.00 25.04 C ATOM 0 H LEU A 14 2.708 -12.272 6.805 1.00 1.44 H new ATOM 0 HA LEU A 14 3.612 -10.179 4.912 1.00 63.21 H new ATOM 0 HB2 LEU A 14 1.223 -10.096 6.756 1.00 32.31 H new ATOM 0 HB3 LEU A 14 1.932 -8.705 5.960 1.00 32.31 H new ATOM 0 HG LEU A 14 1.571 -10.283 3.813 1.00 14.12 H new ATOM 0 HD11 LEU A 14 -0.694 -11.361 3.968 1.00 41.23 H new ATOM 0 HD12 LEU A 14 0.475 -12.111 5.080 1.00 41.23 H new ATOM 0 HD13 LEU A 14 -0.740 -10.970 5.703 1.00 41.23 H new ATOM 0 HD21 LEU A 14 -0.555 -9.024 3.374 1.00 25.04 H new ATOM 0 HD22 LEU A 14 -0.598 -8.538 5.086 1.00 25.04 H new ATOM 0 HD23 LEU A 14 0.718 -7.968 4.032 1.00 25.04 H new ATOM 182 N LYS A 15 5.039 -9.317 6.845 1.00 4.10 N ATOM 183 CA LYS A 15 6.034 -8.953 7.861 1.00 60.25 C ATOM 184 C LYS A 15 6.241 -7.449 7.859 1.00 13.20 C ATOM 185 O LYS A 15 6.054 -6.814 6.827 1.00 55.21 O ATOM 186 CB LYS A 15 7.369 -9.680 7.595 1.00 32.23 C ATOM 187 CG LYS A 15 7.758 -10.591 8.765 1.00 53.43 C ATOM 188 CD LYS A 15 6.791 -11.772 8.976 1.00 15.50 C ATOM 189 CE LYS A 15 6.098 -11.723 10.344 1.00 21.04 C ATOM 190 NZ LYS A 15 7.018 -12.038 11.457 1.00 64.42 N ATOM 0 H LYS A 15 5.235 -8.901 5.934 1.00 4.10 H new ATOM 0 HA LYS A 15 5.668 -9.260 8.841 1.00 60.25 H new ATOM 0 HB2 LYS A 15 7.286 -10.272 6.684 1.00 32.23 H new ATOM 0 HB3 LYS A 15 8.157 -8.946 7.427 1.00 32.23 H new ATOM 0 HG2 LYS A 15 8.761 -10.980 8.593 1.00 53.43 H new ATOM 0 HG3 LYS A 15 7.798 -9.998 9.679 1.00 53.43 H new ATOM 0 HD2 LYS A 15 6.037 -11.766 8.189 1.00 15.50 H new ATOM 0 HD3 LYS A 15 7.340 -12.709 8.883 1.00 15.50 H new ATOM 0 HE2 LYS A 15 5.674 -10.731 10.497 1.00 21.04 H new ATOM 0 HE3 LYS A 15 5.268 -12.429 10.352 1.00 21.04 H new ATOM 0 HZ1 LYS A 15 6.501 -11.991 12.358 1.00 64.42 H new ATOM 0 HZ2 LYS A 15 7.404 -12.995 11.328 1.00 64.42 H new ATOM 0 HZ3 LYS A 15 7.797 -11.349 11.469 1.00 64.42 H new ATOM 200 N LEU A 16 6.657 -6.852 8.977 1.00 33.21 N ATOM 201 CA LEU A 16 6.729 -5.394 9.081 1.00 20.03 C ATOM 202 C LEU A 16 8.072 -4.923 9.621 1.00 13.10 C ATOM 203 O LEU A 16 8.752 -5.667 10.334 1.00 1.51 O ATOM 204 CB LEU A 16 5.581 -4.865 9.956 1.00 3.42 C ATOM 205 CG LEU A 16 4.607 -4.017 9.129 1.00 71.23 C ATOM 206 CD1 LEU A 16 3.578 -4.900 8.428 1.00 22.32 C ATOM 207 CD2 LEU A 16 3.873 -3.005 9.993 1.00 43.12 C ATOM 0 H LEU A 16 6.947 -7.351 9.818 1.00 33.21 H new ATOM 0 HA LEU A 16 6.627 -4.989 8.074 1.00 20.03 H new ATOM 0 HB2 LEU A 16 5.048 -5.702 10.408 1.00 3.42 H new ATOM 0 HB3 LEU A 16 5.987 -4.267 10.772 1.00 3.42 H new ATOM 0 HG LEU A 16 5.203 -3.485 8.388 1.00 71.23 H new ATOM 0 HD11 LEU A 16 2.898 -4.276 7.848 1.00 22.32 H new ATOM 0 HD12 LEU A 16 4.089 -5.596 7.763 1.00 22.32 H new ATOM 0 HD13 LEU A 16 3.011 -5.459 9.172 1.00 22.32 H new ATOM 0 HD21 LEU A 16 3.192 -2.423 9.372 1.00 43.12 H new ATOM 0 HD22 LEU A 16 3.305 -3.528 10.763 1.00 43.12 H new ATOM 0 HD23 LEU A 16 4.595 -2.338 10.464 1.00 43.12 H new ATOM 218 N LYS A 17 8.433 -3.676 9.304 1.00 13.50 N ATOM 219 CA LYS A 17 9.742 -3.069 9.592 1.00 71.41 C ATOM 220 C LYS A 17 9.586 -1.618 10.041 1.00 15.40 C ATOM 221 O LYS A 17 9.728 -0.685 9.245 1.00 23.12 O ATOM 222 CB LYS A 17 10.689 -3.182 8.381 1.00 20.20 C ATOM 223 CG LYS A 17 10.122 -2.593 7.071 1.00 41.24 C ATOM 224 CD LYS A 17 9.833 -3.656 6.025 1.00 52.22 C ATOM 225 CE LYS A 17 11.065 -3.994 5.162 1.00 22.12 C ATOM 226 NZ LYS A 17 12.063 -4.845 5.848 1.00 54.51 N ATOM 0 H LYS A 17 7.801 -3.036 8.822 1.00 13.50 H new ATOM 0 HA LYS A 17 10.193 -3.624 10.414 1.00 71.41 H new ATOM 0 HB2 LYS A 17 11.624 -2.675 8.618 1.00 20.20 H new ATOM 0 HB3 LYS A 17 10.928 -4.233 8.219 1.00 20.20 H new ATOM 0 HG2 LYS A 17 9.205 -2.047 7.291 1.00 41.24 H new ATOM 0 HG3 LYS A 17 10.832 -1.873 6.664 1.00 41.24 H new ATOM 0 HD2 LYS A 17 9.483 -4.561 6.521 1.00 52.22 H new ATOM 0 HD3 LYS A 17 9.025 -3.313 5.379 1.00 52.22 H new ATOM 0 HE2 LYS A 17 10.733 -4.499 4.255 1.00 22.12 H new ATOM 0 HE3 LYS A 17 11.545 -3.066 4.852 1.00 22.12 H new ATOM 0 HZ1 LYS A 17 12.582 -5.408 5.144 1.00 54.51 H new ATOM 0 HZ2 LYS A 17 12.731 -4.244 6.371 1.00 54.51 H new ATOM 0 HZ3 LYS A 17 11.578 -5.482 6.512 1.00 54.51 H new ATOM 236 N ARG A 18 9.300 -1.382 11.323 1.00 72.21 N ATOM 237 CA ARG A 18 8.955 -0.022 11.757 1.00 22.13 C ATOM 238 C ARG A 18 10.109 0.957 11.568 1.00 71.23 C ATOM 239 O ARG A 18 9.879 2.107 11.213 1.00 51.23 O ATOM 240 CB ARG A 18 8.336 -0.038 13.156 1.00 41.23 C ATOM 241 CG ARG A 18 9.320 -0.216 14.307 1.00 30.12 C ATOM 242 CD ARG A 18 8.641 -0.848 15.531 1.00 11.42 C ATOM 243 NE ARG A 18 8.405 -2.294 15.336 1.00 11.04 N ATOM 244 CZ ARG A 18 7.846 -3.134 16.214 1.00 50.23 C ATOM 245 NH1 ARG A 18 7.358 -2.677 17.360 1.00 3.22 N ATOM 246 NH2 ARG A 18 7.765 -4.432 15.931 1.00 3.02 N ATOM 0 H ARG A 18 9.299 -2.087 12.060 1.00 72.21 H new ATOM 0 HA ARG A 18 8.177 0.368 11.101 1.00 22.13 H new ATOM 0 HB2 ARG A 18 7.794 0.896 13.305 1.00 41.23 H new ATOM 0 HB3 ARG A 18 7.602 -0.843 13.201 1.00 41.23 H new ATOM 0 HG2 ARG A 18 10.150 -0.845 13.984 1.00 30.12 H new ATOM 0 HG3 ARG A 18 9.741 0.751 14.581 1.00 30.12 H new ATOM 0 HD2 ARG A 18 9.264 -0.696 16.412 1.00 11.42 H new ATOM 0 HD3 ARG A 18 7.692 -0.346 15.721 1.00 11.42 H new ATOM 0 HE ARG A 18 8.698 -2.691 14.443 1.00 11.04 H new ATOM 0 HH11 ARG A 18 7.408 -1.681 17.575 1.00 3.22 H new ATOM 0 HH12 ARG A 18 6.933 -3.322 18.026 1.00 3.22 H new ATOM 0 HH21 ARG A 18 8.129 -4.785 15.046 1.00 3.02 H new ATOM 0 HH22 ARG A 18 7.339 -5.074 16.599 1.00 3.02 H new ATOM 257 N LYS A 19 11.341 0.461 11.677 1.00 55.42 N ATOM 258 CA LYS A 19 12.595 1.157 11.394 1.00 61.22 C ATOM 259 C LYS A 19 12.689 1.725 9.974 1.00 53.13 C ATOM 260 O LYS A 19 13.535 2.589 9.742 1.00 20.41 O ATOM 261 CB LYS A 19 13.724 0.148 11.646 1.00 61.41 C ATOM 262 CG LYS A 19 13.976 0.009 13.153 1.00 43.15 C ATOM 263 CD LYS A 19 14.837 -1.190 13.554 1.00 53.32 C ATOM 264 CE LYS A 19 13.992 -2.421 13.906 1.00 21.03 C ATOM 265 NZ LYS A 19 13.341 -2.316 15.234 1.00 42.14 N ATOM 0 H LYS A 19 11.499 -0.498 11.985 1.00 55.42 H new ATOM 0 HA LYS A 19 12.665 2.029 12.044 1.00 61.22 H new ATOM 0 HB2 LYS A 19 13.459 -0.821 11.222 1.00 61.41 H new ATOM 0 HB3 LYS A 19 14.635 0.476 11.145 1.00 61.41 H new ATOM 0 HG2 LYS A 19 14.457 0.919 13.512 1.00 43.15 H new ATOM 0 HG3 LYS A 19 13.015 -0.066 13.662 1.00 43.15 H new ATOM 0 HD2 LYS A 19 15.514 -1.438 12.736 1.00 53.32 H new ATOM 0 HD3 LYS A 19 15.456 -0.920 14.410 1.00 53.32 H new ATOM 0 HE2 LYS A 19 13.227 -2.560 13.142 1.00 21.03 H new ATOM 0 HE3 LYS A 19 14.626 -3.308 13.887 1.00 21.03 H new ATOM 0 HZ1 LYS A 19 12.812 -3.190 15.431 1.00 42.14 H new ATOM 0 HZ2 LYS A 19 14.066 -2.177 15.966 1.00 42.14 H new ATOM 0 HZ3 LYS A 19 12.687 -1.507 15.237 1.00 42.14 H new ATOM 275 N SER A 20 11.853 1.277 9.034 1.00 75.25 N ATOM 276 CA SER A 20 11.893 1.706 7.639 1.00 31.24 C ATOM 277 C SER A 20 10.479 1.946 7.081 1.00 41.54 C ATOM 278 O SER A 20 10.312 1.928 5.866 1.00 40.45 O ATOM 279 CB SER A 20 12.659 0.668 6.804 1.00 53.24 C ATOM 280 OG SER A 20 13.766 0.101 7.493 1.00 35.34 O ATOM 0 H SER A 20 11.119 0.595 9.227 1.00 75.25 H new ATOM 0 HA SER A 20 12.418 2.660 7.581 1.00 31.24 H new ATOM 0 HB2 SER A 20 11.975 -0.129 6.510 1.00 53.24 H new ATOM 0 HB3 SER A 20 13.013 1.139 5.887 1.00 53.24 H new ATOM 0 HG SER A 20 14.212 -0.552 6.914 1.00 35.34 H new ATOM 285 N ARG A 21 9.463 2.121 7.947 1.00 33.44 N ATOM 286 CA ARG A 21 8.095 2.566 7.609 1.00 54.32 C ATOM 287 C ARG A 21 7.520 1.863 6.357 1.00 53.35 C ATOM 288 O ARG A 21 7.018 2.504 5.430 1.00 63.13 O ATOM 289 CB ARG A 21 8.048 4.121 7.569 1.00 63.31 C ATOM 290 CG ARG A 21 7.305 4.758 8.757 1.00 13.52 C ATOM 291 CD ARG A 21 7.998 4.606 10.116 1.00 23.04 C ATOM 292 NE ARG A 21 9.235 5.394 10.203 1.00 12.42 N ATOM 293 CZ ARG A 21 9.991 5.622 11.283 1.00 62.25 C ATOM 294 NH1 ARG A 21 9.785 5.005 12.441 1.00 74.32 N ATOM 295 NH2 ARG A 21 10.981 6.494 11.175 1.00 23.30 N ATOM 0 H ARG A 21 9.577 1.949 8.946 1.00 33.44 H new ATOM 0 HA ARG A 21 7.413 2.249 8.398 1.00 54.32 H new ATOM 0 HB2 ARG A 21 9.068 4.504 7.545 1.00 63.31 H new ATOM 0 HB3 ARG A 21 7.567 4.436 6.643 1.00 63.31 H new ATOM 0 HG2 ARG A 21 7.169 5.820 8.553 1.00 13.52 H new ATOM 0 HG3 ARG A 21 6.311 4.316 8.822 1.00 13.52 H new ATOM 0 HD2 ARG A 21 7.315 4.918 10.906 1.00 23.04 H new ATOM 0 HD3 ARG A 21 8.227 3.554 10.289 1.00 23.04 H new ATOM 0 HE ARG A 21 9.557 5.819 9.334 1.00 12.42 H new ATOM 0 HH11 ARG A 21 9.027 4.328 12.531 1.00 74.32 H new ATOM 0 HH12 ARG A 21 10.385 5.208 13.241 1.00 74.32 H new ATOM 0 HH21 ARG A 21 11.148 6.969 10.288 1.00 23.30 H new ATOM 0 HH22 ARG A 21 11.577 6.691 11.979 1.00 23.30 H new ATOM 306 N GLN A 22 7.562 0.528 6.326 1.00 52.52 N ATOM 307 CA GLN A 22 7.197 -0.284 5.162 1.00 75.22 C ATOM 308 C GLN A 22 6.499 -1.568 5.628 1.00 20.40 C ATOM 309 O GLN A 22 6.475 -1.851 6.833 1.00 61.24 O ATOM 310 CB GLN A 22 8.471 -0.636 4.381 1.00 40.21 C ATOM 311 CG GLN A 22 8.925 0.408 3.356 1.00 72.01 C ATOM 312 CD GLN A 22 10.276 -0.002 2.802 1.00 1.40 C ATOM 313 OE1 GLN A 22 10.385 -0.623 1.757 1.00 51.14 O ATOM 314 NE2 GLN A 22 11.320 0.249 3.557 1.00 12.30 N ATOM 0 H GLN A 22 7.857 -0.030 7.127 1.00 52.52 H new ATOM 0 HA GLN A 22 6.517 0.275 4.519 1.00 75.22 H new ATOM 0 HB2 GLN A 22 9.280 -0.796 5.093 1.00 40.21 H new ATOM 0 HB3 GLN A 22 8.310 -1.582 3.864 1.00 40.21 H new ATOM 0 HG2 GLN A 22 8.195 0.487 2.550 1.00 72.01 H new ATOM 0 HG3 GLN A 22 8.992 1.391 3.823 1.00 72.01 H new ATOM 0 HE21 GLN A 22 11.207 0.770 4.427 1.00 12.30 H new ATOM 0 HE22 GLN A 22 12.244 -0.077 3.274 1.00 12.30 H new ATOM 321 N LEU A 23 5.964 -2.347 4.683 1.00 60.15 N ATOM 322 CA LEU A 23 5.351 -3.662 4.879 1.00 33.20 C ATOM 323 C LEU A 23 5.919 -4.602 3.829 1.00 63.41 C ATOM 324 O LEU A 23 6.126 -4.199 2.689 1.00 13.43 O ATOM 325 CB LEU A 23 3.808 -3.546 4.884 1.00 32.23 C ATOM 326 CG LEU A 23 2.898 -4.739 4.513 1.00 3.40 C ATOM 327 CD1 LEU A 23 2.958 -5.025 3.030 1.00 53.43 C ATOM 328 CD2 LEU A 23 2.990 -6.022 5.333 1.00 73.34 C ATOM 0 H LEU A 23 5.947 -2.059 3.705 1.00 60.15 H new ATOM 0 HA LEU A 23 5.594 -4.083 5.855 1.00 33.20 H new ATOM 0 HB2 LEU A 23 3.519 -3.230 5.886 1.00 32.23 H new ATOM 0 HB3 LEU A 23 3.551 -2.732 4.206 1.00 32.23 H new ATOM 0 HG LEU A 23 1.914 -4.370 4.804 1.00 3.40 H new ATOM 0 HD11 LEU A 23 2.309 -5.869 2.796 1.00 53.43 H new ATOM 0 HD12 LEU A 23 2.626 -4.147 2.476 1.00 53.43 H new ATOM 0 HD13 LEU A 23 3.983 -5.266 2.747 1.00 53.43 H new ATOM 0 HD21 LEU A 23 2.286 -6.756 4.941 1.00 73.34 H new ATOM 0 HD22 LEU A 23 4.002 -6.421 5.272 1.00 73.34 H new ATOM 0 HD23 LEU A 23 2.747 -5.807 6.374 1.00 73.34 H new ATOM 339 N GLU A 24 6.165 -5.844 4.231 1.00 71.34 N ATOM 340 CA GLU A 24 6.751 -6.934 3.456 1.00 24.04 C ATOM 341 C GLU A 24 5.715 -8.019 3.235 1.00 75.22 C ATOM 342 O GLU A 24 4.885 -8.282 4.108 1.00 72.34 O ATOM 343 CB GLU A 24 7.927 -7.574 4.207 1.00 72.01 C ATOM 344 CG GLU A 24 8.951 -6.533 4.614 1.00 12.43 C ATOM 345 CD GLU A 24 10.087 -7.110 5.458 1.00 55.42 C ATOM 346 OE1 GLU A 24 11.046 -7.659 4.891 1.00 52.44 O ATOM 347 OE2 GLU A 24 10.133 -6.835 6.680 1.00 13.42 O ATOM 0 H GLU A 24 5.943 -6.139 5.182 1.00 71.34 H new ATOM 0 HA GLU A 24 7.096 -6.516 2.510 1.00 24.04 H new ATOM 0 HB2 GLU A 24 7.558 -8.090 5.093 1.00 72.01 H new ATOM 0 HB3 GLU A 24 8.400 -8.325 3.574 1.00 72.01 H new ATOM 0 HG2 GLU A 24 9.369 -6.073 3.719 1.00 12.43 H new ATOM 0 HG3 GLU A 24 8.454 -5.743 5.176 1.00 12.43 H new ATOM 352 N ILE A 25 5.806 -8.685 2.091 1.00 33.41 N ATOM 353 CA ILE A 25 4.801 -9.619 1.594 1.00 13.53 C ATOM 354 C ILE A 25 5.554 -10.853 1.108 1.00 33.20 C ATOM 355 O ILE A 25 6.612 -10.717 0.486 1.00 11.24 O ATOM 356 CB ILE A 25 3.992 -8.901 0.480 1.00 21.20 C ATOM 357 CG1 ILE A 25 3.149 -7.729 1.050 1.00 15.32 C ATOM 358 CG2 ILE A 25 3.020 -9.825 -0.272 1.00 3.31 C ATOM 359 CD1 ILE A 25 3.250 -6.480 0.168 1.00 44.22 C ATOM 0 H ILE A 25 6.605 -8.588 1.464 1.00 33.41 H new ATOM 0 HA ILE A 25 4.083 -9.938 2.349 1.00 13.53 H new ATOM 0 HB ILE A 25 4.753 -8.542 -0.213 1.00 21.20 H new ATOM 0 HG12 ILE A 25 2.106 -8.035 1.130 1.00 15.32 H new ATOM 0 HG13 ILE A 25 3.489 -7.492 2.058 1.00 15.32 H new ATOM 0 HG21 ILE A 25 2.491 -9.253 -1.034 1.00 3.31 H new ATOM 0 HG22 ILE A 25 3.579 -10.632 -0.746 1.00 3.31 H new ATOM 0 HG23 ILE A 25 2.301 -10.246 0.431 1.00 3.31 H new ATOM 0 HD11 ILE A 25 2.647 -5.681 0.599 1.00 44.22 H new ATOM 0 HD12 ILE A 25 4.290 -6.159 0.110 1.00 44.22 H new ATOM 0 HD13 ILE A 25 2.885 -6.711 -0.833 1.00 44.22 H new ATOM 370 N SER A 26 5.012 -12.039 1.388 1.00 1.11 N ATOM 371 CA SER A 26 5.501 -13.320 0.909 1.00 62.31 C ATOM 372 C SER A 26 4.345 -14.096 0.317 1.00 0.30 C ATOM 373 O SER A 26 3.252 -14.162 0.886 1.00 63.23 O ATOM 374 CB SER A 26 6.143 -14.113 2.043 1.00 15.53 C ATOM 375 OG SER A 26 6.985 -15.143 1.576 1.00 41.24 O ATOM 0 H SER A 26 4.186 -12.130 1.980 1.00 1.11 H new ATOM 0 HA SER A 26 6.261 -13.151 0.146 1.00 62.31 H new ATOM 0 HB2 SER A 26 6.719 -13.436 2.674 1.00 15.53 H new ATOM 0 HB3 SER A 26 5.361 -14.544 2.668 1.00 15.53 H new ATOM 0 HG SER A 26 7.373 -15.620 2.339 1.00 41.24 H new ATOM 380 N PHE A 27 4.634 -14.732 -0.802 1.00 23.40 N ATOM 381 CA PHE A 27 3.693 -15.528 -1.574 1.00 62.42 C ATOM 382 C PHE A 27 4.088 -16.991 -1.477 1.00 61.13 C ATOM 383 O PHE A 27 5.254 -17.310 -1.224 1.00 13.54 O ATOM 384 CB PHE A 27 3.683 -15.076 -3.042 1.00 2.10 C ATOM 385 CG PHE A 27 2.749 -13.930 -3.380 1.00 33.11 C ATOM 386 CD1 PHE A 27 1.389 -14.042 -3.069 1.00 11.43 C ATOM 387 CD2 PHE A 27 3.184 -12.815 -4.111 1.00 53.41 C ATOM 388 CE1 PHE A 27 0.465 -13.058 -3.445 1.00 0.52 C ATOM 389 CE2 PHE A 27 2.260 -11.825 -4.496 1.00 1.12 C ATOM 390 CZ PHE A 27 0.904 -11.928 -4.146 1.00 52.54 C ATOM 0 H PHE A 27 5.566 -14.709 -1.216 1.00 23.40 H new ATOM 0 HA PHE A 27 2.689 -15.392 -1.172 1.00 62.42 H new ATOM 0 HB2 PHE A 27 4.697 -14.786 -3.319 1.00 2.10 H new ATOM 0 HB3 PHE A 27 3.416 -15.931 -3.663 1.00 2.10 H new ATOM 0 HD1 PHE A 27 1.043 -14.909 -2.525 1.00 11.43 H new ATOM 0 HD2 PHE A 27 4.226 -12.716 -4.378 1.00 53.41 H new ATOM 0 HE1 PHE A 27 -0.580 -13.170 -3.196 1.00 0.52 H new ATOM 0 HE2 PHE A 27 2.599 -10.974 -5.069 1.00 1.12 H new ATOM 0 HZ PHE A 27 0.209 -11.146 -4.414 1.00 52.54 H new ATOM 399 N ASP A 28 3.133 -17.892 -1.714 1.00 4.44 N ATOM 400 CA ASP A 28 3.438 -19.320 -1.637 1.00 22.04 C ATOM 401 C ASP A 28 4.260 -19.769 -2.843 1.00 44.22 C ATOM 402 O ASP A 28 5.059 -20.694 -2.731 1.00 3.23 O ATOM 403 CB ASP A 28 2.171 -20.172 -1.483 1.00 71.42 C ATOM 404 CG ASP A 28 2.467 -21.425 -0.664 1.00 23.14 C ATOM 405 OD1 ASP A 28 3.004 -21.262 0.454 1.00 22.23 O ATOM 406 OD2 ASP A 28 2.098 -22.537 -1.104 1.00 20.01 O ATOM 0 H ASP A 28 2.168 -17.667 -1.954 1.00 4.44 H new ATOM 0 HA ASP A 28 4.038 -19.474 -0.740 1.00 22.04 H new ATOM 0 HB2 ASP A 28 1.390 -19.588 -0.996 1.00 71.42 H new ATOM 0 HB3 ASP A 28 1.793 -20.453 -2.466 1.00 71.42 H new ATOM 410 N ASN A 29 4.142 -19.052 -3.972 1.00 71.41 N ATOM 411 CA ASN A 29 4.968 -19.289 -5.159 1.00 64.43 C ATOM 412 C ASN A 29 6.455 -19.051 -4.874 1.00 1.40 C ATOM 413 O ASN A 29 7.294 -19.692 -5.506 1.00 63.33 O ATOM 414 CB ASN A 29 4.508 -18.451 -6.370 1.00 63.34 C ATOM 415 CG ASN A 29 5.047 -17.024 -6.376 1.00 44.22 C ATOM 416 OD1 ASN A 29 6.208 -16.747 -6.645 1.00 35.11 O ATOM 417 ND2 ASN A 29 4.219 -16.052 -6.062 1.00 73.42 N ATOM 0 H ASN A 29 3.470 -18.293 -4.084 1.00 71.41 H new ATOM 0 HA ASN A 29 4.836 -20.340 -5.417 1.00 64.43 H new ATOM 0 HB2 ASN A 29 4.822 -18.951 -7.286 1.00 63.34 H new ATOM 0 HB3 ASN A 29 3.419 -18.417 -6.383 1.00 63.34 H new ATOM 0 HD21 ASN A 29 4.548 -15.087 -6.046 1.00 73.42 H new ATOM 0 HD22 ASN A 29 3.247 -16.263 -5.835 1.00 73.42 H new ATOM 423 N GLY A 30 6.790 -18.185 -3.909 1.00 34.24 N ATOM 424 CA GLY A 30 8.154 -17.876 -3.499 1.00 71.21 C ATOM 425 C GLY A 30 8.519 -16.396 -3.632 1.00 55.31 C ATOM 426 O GLY A 30 9.460 -15.963 -2.973 1.00 54.14 O ATOM 0 H GLY A 30 6.091 -17.666 -3.378 1.00 34.24 H new ATOM 0 HA2 GLY A 30 8.290 -18.182 -2.462 1.00 71.21 H new ATOM 0 HA3 GLY A 30 8.846 -18.467 -4.099 1.00 71.21 H new ATOM 430 N GLN A 31 7.799 -15.604 -4.444 1.00 63.43 N ATOM 431 CA GLN A 31 8.059 -14.166 -4.539 1.00 75.21 C ATOM 432 C GLN A 31 7.991 -13.517 -3.156 1.00 44.42 C ATOM 433 O GLN A 31 7.112 -13.835 -2.348 1.00 62.23 O ATOM 434 CB GLN A 31 7.056 -13.454 -5.474 1.00 42.44 C ATOM 435 CG GLN A 31 7.439 -13.492 -6.960 1.00 13.13 C ATOM 436 CD GLN A 31 8.779 -12.837 -7.300 1.00 71.13 C ATOM 437 OE1 GLN A 31 9.540 -13.362 -8.106 1.00 74.02 O ATOM 438 NE2 GLN A 31 9.106 -11.671 -6.768 1.00 73.44 N ATOM 0 H GLN A 31 7.039 -15.936 -5.038 1.00 63.43 H new ATOM 0 HA GLN A 31 9.059 -14.055 -4.957 1.00 75.21 H new ATOM 0 HB2 GLN A 31 6.075 -13.913 -5.352 1.00 42.44 H new ATOM 0 HB3 GLN A 31 6.962 -12.414 -5.162 1.00 42.44 H new ATOM 0 HG2 GLN A 31 7.467 -14.532 -7.286 1.00 13.13 H new ATOM 0 HG3 GLN A 31 6.655 -12.999 -7.534 1.00 13.13 H new ATOM 0 HE21 GLN A 31 8.482 -11.224 -6.097 1.00 73.44 H new ATOM 0 HE22 GLN A 31 9.982 -11.219 -7.029 1.00 73.44 H new ATOM 445 N GLN A 32 8.848 -12.520 -2.937 1.00 75.41 N ATOM 446 CA GLN A 32 8.876 -11.676 -1.758 1.00 31.02 C ATOM 447 C GLN A 32 9.181 -10.254 -2.212 1.00 4.34 C ATOM 448 O GLN A 32 10.006 -10.047 -3.100 1.00 31.10 O ATOM 449 CB GLN A 32 9.907 -12.209 -0.747 1.00 22.10 C ATOM 450 CG GLN A 32 9.199 -12.967 0.380 1.00 34.30 C ATOM 451 CD GLN A 32 10.113 -13.921 1.140 1.00 21.10 C ATOM 452 OE1 GLN A 32 10.580 -14.929 0.618 1.00 75.01 O ATOM 453 NE2 GLN A 32 10.378 -13.658 2.407 1.00 13.40 N ATOM 0 H GLN A 32 9.572 -12.273 -3.612 1.00 75.41 H new ATOM 0 HA GLN A 32 7.914 -11.682 -1.245 1.00 31.02 H new ATOM 0 HB2 GLN A 32 10.614 -12.868 -1.251 1.00 22.10 H new ATOM 0 HB3 GLN A 32 10.483 -11.381 -0.333 1.00 22.10 H new ATOM 0 HG2 GLN A 32 8.775 -12.247 1.081 1.00 34.30 H new ATOM 0 HG3 GLN A 32 8.366 -13.532 -0.040 1.00 34.30 H new ATOM 0 HE21 GLN A 32 9.993 -12.822 2.846 1.00 13.40 H new ATOM 0 HE22 GLN A 32 10.968 -14.291 2.947 1.00 13.40 H new ATOM 460 N PHE A 33 8.484 -9.281 -1.630 1.00 13.42 N ATOM 461 CA PHE A 33 8.633 -7.865 -1.937 1.00 31.43 C ATOM 462 C PHE A 33 8.195 -7.029 -0.741 1.00 73.43 C ATOM 463 O PHE A 33 7.651 -7.530 0.243 1.00 33.31 O ATOM 464 CB PHE A 33 7.825 -7.483 -3.187 1.00 63.45 C ATOM 465 CG PHE A 33 6.410 -8.002 -3.266 1.00 34.00 C ATOM 466 CD1 PHE A 33 5.337 -7.224 -2.799 1.00 74.02 C ATOM 467 CD2 PHE A 33 6.158 -9.210 -3.933 1.00 11.52 C ATOM 468 CE1 PHE A 33 4.017 -7.628 -3.061 1.00 23.22 C ATOM 469 CE2 PHE A 33 4.841 -9.623 -4.163 1.00 72.14 C ATOM 470 CZ PHE A 33 3.765 -8.839 -3.718 1.00 44.14 C ATOM 0 H PHE A 33 7.782 -9.463 -0.913 1.00 13.42 H new ATOM 0 HA PHE A 33 9.684 -7.664 -2.146 1.00 31.43 H new ATOM 0 HB2 PHE A 33 7.792 -6.395 -3.251 1.00 63.45 H new ATOM 0 HB3 PHE A 33 8.367 -7.838 -4.064 1.00 63.45 H new ATOM 0 HD1 PHE A 33 5.526 -6.319 -2.241 1.00 74.02 H new ATOM 0 HD2 PHE A 33 6.982 -9.822 -4.269 1.00 11.52 H new ATOM 0 HE1 PHE A 33 3.192 -7.002 -2.754 1.00 23.22 H new ATOM 0 HE2 PHE A 33 4.651 -10.549 -4.685 1.00 72.14 H new ATOM 0 HZ PHE A 33 2.749 -9.168 -3.881 1.00 44.14 H new ATOM 479 N THR A 34 8.429 -5.725 -0.812 1.00 24.31 N ATOM 480 CA THR A 34 8.109 -4.759 0.227 1.00 74.21 C ATOM 481 C THR A 34 7.437 -3.563 -0.448 1.00 22.02 C ATOM 482 O THR A 34 7.660 -3.368 -1.635 1.00 74.12 O ATOM 483 CB THR A 34 9.432 -4.372 0.907 1.00 34.04 C ATOM 484 OG1 THR A 34 10.166 -5.539 1.272 1.00 15.23 O ATOM 485 CG2 THR A 34 9.245 -3.534 2.173 1.00 60.34 C ATOM 0 H THR A 34 8.864 -5.296 -1.628 1.00 24.31 H new ATOM 0 HA THR A 34 7.429 -5.151 0.983 1.00 74.21 H new ATOM 0 HB THR A 34 9.969 -3.773 0.172 1.00 34.04 H new ATOM 0 HG1 THR A 34 11.006 -5.276 1.702 1.00 15.23 H new ATOM 0 HG21 THR A 34 10.220 -3.297 2.600 1.00 60.34 H new ATOM 0 HG22 THR A 34 8.724 -2.610 1.924 1.00 60.34 H new ATOM 0 HG23 THR A 34 8.658 -4.097 2.899 1.00 60.34 H new ATOM 493 N LEU A 35 6.657 -2.768 0.285 1.00 51.34 N ATOM 494 CA LEU A 35 6.053 -1.512 -0.152 1.00 22.31 C ATOM 495 C LEU A 35 6.160 -0.472 0.949 1.00 12.34 C ATOM 496 O LEU A 35 6.162 -0.839 2.132 1.00 11.23 O ATOM 497 CB LEU A 35 4.564 -1.761 -0.410 1.00 31.10 C ATOM 498 CG LEU A 35 4.291 -2.097 -1.878 1.00 21.13 C ATOM 499 CD1 LEU A 35 3.056 -2.984 -1.906 1.00 42.12 C ATOM 500 CD2 LEU A 35 4.058 -0.811 -2.667 1.00 43.32 C ATOM 0 H LEU A 35 6.418 -2.996 1.250 1.00 51.34 H new ATOM 0 HA LEU A 35 6.564 -1.159 -1.048 1.00 22.31 H new ATOM 0 HB2 LEU A 35 4.217 -2.580 0.221 1.00 31.10 H new ATOM 0 HB3 LEU A 35 3.993 -0.877 -0.127 1.00 31.10 H new ATOM 0 HG LEU A 35 5.137 -2.612 -2.334 1.00 21.13 H new ATOM 0 HD11 LEU A 35 2.822 -3.250 -2.937 1.00 42.12 H new ATOM 0 HD12 LEU A 35 3.246 -3.891 -1.332 1.00 42.12 H new ATOM 0 HD13 LEU A 35 2.213 -2.448 -1.470 1.00 42.12 H new ATOM 0 HD21 LEU A 35 3.864 -1.055 -3.711 1.00 43.32 H new ATOM 0 HD22 LEU A 35 3.201 -0.280 -2.253 1.00 43.32 H new ATOM 0 HD23 LEU A 35 4.943 -0.178 -2.601 1.00 43.32 H new ATOM 511 N SER A 36 6.064 0.802 0.575 1.00 24.20 N ATOM 512 CA SER A 36 5.852 1.926 1.485 1.00 61.41 C ATOM 513 C SER A 36 4.472 1.836 2.128 1.00 14.11 C ATOM 514 O SER A 36 3.486 1.499 1.468 1.00 51.24 O ATOM 515 CB SER A 36 5.955 3.235 0.712 1.00 20.40 C ATOM 516 OG SER A 36 7.289 3.470 0.339 1.00 72.32 O ATOM 0 H SER A 36 6.134 1.090 -0.401 1.00 24.20 H new ATOM 0 HA SER A 36 6.613 1.892 2.264 1.00 61.41 H new ATOM 0 HB2 SER A 36 5.323 3.194 -0.175 1.00 20.40 H new ATOM 0 HB3 SER A 36 5.590 4.059 1.325 1.00 20.40 H new ATOM 0 HG SER A 36 7.346 4.312 -0.159 1.00 72.32 H new ATOM 521 N CYS A 37 4.378 2.089 3.434 1.00 1.24 N ATOM 522 CA CYS A 37 3.089 2.145 4.117 1.00 22.00 C ATOM 523 C CYS A 37 2.372 3.468 3.858 1.00 55.51 C ATOM 524 O CYS A 37 1.149 3.511 3.965 1.00 75.35 O ATOM 525 CB CYS A 37 3.258 1.905 5.616 1.00 31.22 C ATOM 526 SG CYS A 37 3.738 0.178 5.887 1.00 1.42 S ATOM 0 H CYS A 37 5.182 2.258 4.039 1.00 1.24 H new ATOM 0 HA CYS A 37 2.467 1.348 3.709 1.00 22.00 H new ATOM 0 HB2 CYS A 37 4.017 2.575 6.021 1.00 31.22 H new ATOM 0 HB3 CYS A 37 2.327 2.124 6.140 1.00 31.22 H new ATOM 0 HG CYS A 37 3.887 -0.036 7.161 1.00 1.42 H new ATOM 531 N GLU A 38 3.098 4.516 3.468 1.00 41.55 N ATOM 532 CA GLU A 38 2.549 5.721 2.859 1.00 3.41 C ATOM 533 C GLU A 38 1.662 5.313 1.665 1.00 74.42 C ATOM 534 O GLU A 38 0.450 5.552 1.705 1.00 52.33 O ATOM 535 CB GLU A 38 3.723 6.682 2.572 1.00 64.24 C ATOM 536 CG GLU A 38 3.452 7.813 1.571 1.00 32.11 C ATOM 537 CD GLU A 38 3.438 7.280 0.137 1.00 43.23 C ATOM 538 OE1 GLU A 38 4.421 6.594 -0.239 1.00 52.13 O ATOM 539 OE2 GLU A 38 2.382 7.448 -0.500 1.00 33.30 O ATOM 0 H GLU A 38 4.112 4.548 3.571 1.00 41.55 H new ATOM 0 HA GLU A 38 1.877 6.282 3.508 1.00 3.41 H new ATOM 0 HB2 GLU A 38 4.037 7.129 3.515 1.00 64.24 H new ATOM 0 HB3 GLU A 38 4.563 6.094 2.203 1.00 64.24 H new ATOM 0 HG2 GLU A 38 2.495 8.284 1.798 1.00 32.11 H new ATOM 0 HG3 GLU A 38 4.217 8.583 1.670 1.00 32.11 H new ATOM 544 N LEU A 39 2.228 4.605 0.679 1.00 3.51 N ATOM 545 CA LEU A 39 1.594 4.331 -0.609 1.00 21.44 C ATOM 546 C LEU A 39 0.296 3.549 -0.414 1.00 1.11 C ATOM 547 O LEU A 39 -0.700 3.839 -1.063 1.00 55.53 O ATOM 548 CB LEU A 39 2.591 3.575 -1.509 1.00 31.43 C ATOM 549 CG LEU A 39 2.259 3.590 -3.020 1.00 2.51 C ATOM 550 CD1 LEU A 39 2.724 4.894 -3.675 1.00 42.31 C ATOM 551 CD2 LEU A 39 2.975 2.402 -3.678 1.00 21.00 C ATOM 0 H LEU A 39 3.160 4.199 0.760 1.00 3.51 H new ATOM 0 HA LEU A 39 1.328 5.268 -1.098 1.00 21.44 H new ATOM 0 HB2 LEU A 39 3.582 4.006 -1.367 1.00 31.43 H new ATOM 0 HB3 LEU A 39 2.643 2.539 -1.175 1.00 31.43 H new ATOM 0 HG LEU A 39 1.180 3.516 -3.152 1.00 2.51 H new ATOM 0 HD11 LEU A 39 2.477 4.876 -4.737 1.00 42.31 H new ATOM 0 HD12 LEU A 39 2.224 5.738 -3.200 1.00 42.31 H new ATOM 0 HD13 LEU A 39 3.802 4.997 -3.555 1.00 42.31 H new ATOM 0 HD21 LEU A 39 2.756 2.391 -4.746 1.00 21.00 H new ATOM 0 HD22 LEU A 39 4.051 2.498 -3.529 1.00 21.00 H new ATOM 0 HD23 LEU A 39 2.628 1.473 -3.227 1.00 21.00 H new ATOM 562 N LEU A 40 0.269 2.618 0.548 1.00 43.12 N ATOM 563 CA LEU A 40 -0.878 1.763 0.848 1.00 11.21 C ATOM 564 C LEU A 40 -2.178 2.548 1.063 1.00 53.22 C ATOM 565 O LEU A 40 -3.207 2.153 0.523 1.00 34.23 O ATOM 566 CB LEU A 40 -0.566 0.878 2.079 1.00 35.41 C ATOM 567 CG LEU A 40 -0.125 -0.578 1.810 1.00 62.15 C ATOM 568 CD1 LEU A 40 0.796 -0.712 0.594 1.00 32.33 C ATOM 569 CD2 LEU A 40 0.536 -1.158 3.077 1.00 35.40 C ATOM 0 H LEU A 40 1.069 2.437 1.154 1.00 43.12 H new ATOM 0 HA LEU A 40 -1.044 1.134 -0.027 1.00 11.21 H new ATOM 0 HB2 LEU A 40 0.219 1.367 2.656 1.00 35.41 H new ATOM 0 HB3 LEU A 40 -1.455 0.850 2.709 1.00 35.41 H new ATOM 0 HG LEU A 40 -1.019 -1.153 1.568 1.00 62.15 H new ATOM 0 HD11 LEU A 40 1.070 -1.758 0.459 1.00 32.33 H new ATOM 0 HD12 LEU A 40 0.278 -0.355 -0.296 1.00 32.33 H new ATOM 0 HD13 LEU A 40 1.697 -0.119 0.752 1.00 32.33 H new ATOM 0 HD21 LEU A 40 0.847 -2.185 2.887 1.00 35.40 H new ATOM 0 HD22 LEU A 40 1.407 -0.558 3.340 1.00 35.40 H new ATOM 0 HD23 LEU A 40 -0.178 -1.141 3.900 1.00 35.40 H new ATOM 580 N ARG A 41 -2.167 3.618 1.870 1.00 1.20 N ATOM 581 CA ARG A 41 -3.405 4.326 2.234 1.00 4.50 C ATOM 582 C ARG A 41 -3.644 5.547 1.347 1.00 12.52 C ATOM 583 O ARG A 41 -4.766 6.055 1.322 1.00 64.22 O ATOM 584 CB ARG A 41 -3.401 4.653 3.746 1.00 5.21 C ATOM 585 CG ARG A 41 -4.757 4.450 4.441 1.00 74.14 C ATOM 586 CD ARG A 41 -5.660 5.691 4.444 1.00 53.15 C ATOM 587 NE ARG A 41 -7.076 5.302 4.426 1.00 21.04 N ATOM 588 CZ ARG A 41 -7.843 5.169 3.338 1.00 13.13 C ATOM 589 NH1 ARG A 41 -7.406 5.454 2.111 1.00 32.44 N ATOM 590 NH2 ARG A 41 -9.082 4.740 3.496 1.00 25.13 N ATOM 0 H ARG A 41 -1.321 4.011 2.282 1.00 1.20 H new ATOM 0 HA ARG A 41 -4.256 3.670 2.049 1.00 4.50 H new ATOM 0 HB2 ARG A 41 -2.656 4.028 4.239 1.00 5.21 H new ATOM 0 HB3 ARG A 41 -3.088 5.688 3.881 1.00 5.21 H new ATOM 0 HG2 ARG A 41 -5.285 3.633 3.949 1.00 74.14 H new ATOM 0 HG3 ARG A 41 -4.581 4.141 5.471 1.00 74.14 H new ATOM 0 HD2 ARG A 41 -5.455 6.294 5.328 1.00 53.15 H new ATOM 0 HD3 ARG A 41 -5.437 6.311 3.576 1.00 53.15 H new ATOM 0 HE ARG A 41 -7.516 5.116 5.327 1.00 21.04 H new ATOM 0 HH11 ARG A 41 -6.452 5.788 1.974 1.00 32.44 H new ATOM 0 HH12 ARG A 41 -8.026 5.338 1.309 1.00 32.44 H new ATOM 0 HH21 ARG A 41 -9.430 4.520 4.429 1.00 25.13 H new ATOM 0 HH22 ARG A 41 -9.690 4.629 2.685 1.00 25.13 H new ATOM 601 N VAL A 42 -2.627 6.026 0.632 1.00 23.23 N ATOM 602 CA VAL A 42 -2.732 6.946 -0.487 1.00 73.25 C ATOM 603 C VAL A 42 -3.482 6.200 -1.597 1.00 31.10 C ATOM 604 O VAL A 42 -4.659 6.483 -1.855 1.00 1.44 O ATOM 605 CB VAL A 42 -1.282 7.384 -0.801 1.00 73.02 C ATOM 606 CG1 VAL A 42 -1.117 8.053 -2.156 1.00 55.23 C ATOM 607 CG2 VAL A 42 -0.793 8.357 0.287 1.00 64.42 C ATOM 0 H VAL A 42 -1.661 5.766 0.832 1.00 23.23 H new ATOM 0 HA VAL A 42 -3.301 7.860 -0.316 1.00 73.25 H new ATOM 0 HB VAL A 42 -0.689 6.469 -0.822 1.00 73.02 H new ATOM 0 HG11 VAL A 42 -0.073 8.330 -2.300 1.00 55.23 H new ATOM 0 HG12 VAL A 42 -1.421 7.362 -2.942 1.00 55.23 H new ATOM 0 HG13 VAL A 42 -1.739 8.947 -2.198 1.00 55.23 H new ATOM 0 HG21 VAL A 42 0.229 8.666 0.066 1.00 64.42 H new ATOM 0 HG22 VAL A 42 -1.440 9.234 0.309 1.00 64.42 H new ATOM 0 HG23 VAL A 42 -0.821 7.861 1.257 1.00 64.42 H new ATOM 617 N TYR A 43 -2.822 5.210 -2.192 1.00 2.13 N ATOM 618 CA TYR A 43 -3.284 4.356 -3.269 1.00 42.43 C ATOM 619 C TYR A 43 -4.159 3.240 -2.696 1.00 23.42 C ATOM 620 O TYR A 43 -3.902 2.048 -2.892 1.00 43.42 O ATOM 621 CB TYR A 43 -2.063 3.811 -4.035 1.00 13.32 C ATOM 622 CG TYR A 43 -2.298 3.607 -5.520 1.00 51.54 C ATOM 623 CD1 TYR A 43 -3.311 2.756 -6.007 1.00 1.24 C ATOM 624 CD2 TYR A 43 -1.459 4.272 -6.429 1.00 11.34 C ATOM 625 CE1 TYR A 43 -3.467 2.557 -7.388 1.00 75.11 C ATOM 626 CE2 TYR A 43 -1.624 4.099 -7.809 1.00 75.15 C ATOM 627 CZ TYR A 43 -2.633 3.240 -8.299 1.00 1.14 C ATOM 628 OH TYR A 43 -2.790 3.040 -9.633 1.00 61.03 O ATOM 0 H TYR A 43 -1.873 4.969 -1.906 1.00 2.13 H new ATOM 0 HA TYR A 43 -3.897 4.918 -3.974 1.00 42.43 H new ATOM 0 HB2 TYR A 43 -1.229 4.500 -3.902 1.00 13.32 H new ATOM 0 HB3 TYR A 43 -1.766 2.860 -3.592 1.00 13.32 H new ATOM 0 HD1 TYR A 43 -3.970 2.255 -5.314 1.00 1.24 H new ATOM 0 HD2 TYR A 43 -0.680 4.923 -6.061 1.00 11.34 H new ATOM 0 HE1 TYR A 43 -4.226 1.881 -7.753 1.00 75.11 H new ATOM 0 HE2 TYR A 43 -0.979 4.623 -8.499 1.00 75.15 H new ATOM 0 HH TYR A 43 -2.140 3.584 -10.124 1.00 61.03 H new ATOM 637 N SER A 44 -5.238 3.601 -1.996 1.00 15.41 N ATOM 638 CA SER A 44 -6.256 2.607 -1.724 1.00 14.52 C ATOM 639 C SER A 44 -6.790 2.144 -3.086 1.00 72.43 C ATOM 640 O SER A 44 -6.998 2.996 -3.955 1.00 63.25 O ATOM 641 CB SER A 44 -7.367 3.220 -0.875 1.00 32.42 C ATOM 642 OG SER A 44 -7.800 4.451 -1.418 1.00 41.14 O ATOM 0 H SER A 44 -5.418 4.534 -1.625 1.00 15.41 H new ATOM 0 HA SER A 44 -5.855 1.761 -1.165 1.00 14.52 H new ATOM 0 HB2 SER A 44 -8.208 2.529 -0.816 1.00 32.42 H new ATOM 0 HB3 SER A 44 -7.009 3.374 0.143 1.00 32.42 H new ATOM 0 HG SER A 44 -7.716 4.425 -2.394 1.00 41.14 H new ATOM 647 N PRO A 45 -7.137 0.861 -3.255 1.00 51.35 N ATOM 648 CA PRO A 45 -7.534 0.326 -4.549 1.00 20.43 C ATOM 649 C PRO A 45 -8.832 0.977 -5.044 1.00 31.32 C ATOM 650 O PRO A 45 -9.010 1.172 -6.246 1.00 14.31 O ATOM 651 CB PRO A 45 -7.656 -1.190 -4.336 1.00 41.43 C ATOM 652 CG PRO A 45 -7.871 -1.343 -2.827 1.00 3.21 C ATOM 653 CD PRO A 45 -7.111 -0.162 -2.234 1.00 51.44 C ATOM 0 HA PRO A 45 -6.808 0.543 -5.333 1.00 20.43 H new ATOM 0 HB2 PRO A 45 -8.490 -1.605 -4.901 1.00 41.43 H new ATOM 0 HB3 PRO A 45 -6.757 -1.712 -4.665 1.00 41.43 H new ATOM 0 HG2 PRO A 45 -8.929 -1.310 -2.568 1.00 3.21 H new ATOM 0 HG3 PRO A 45 -7.483 -2.294 -2.461 1.00 3.21 H new ATOM 0 HD2 PRO A 45 -7.582 0.187 -1.315 1.00 51.44 H new ATOM 0 HD3 PRO A 45 -6.088 -0.440 -1.982 1.00 51.44 H new ATOM 658 N SER A 46 -9.713 1.368 -4.120 1.00 0.31 N ATOM 659 CA SER A 46 -11.015 1.960 -4.389 1.00 44.52 C ATOM 660 C SER A 46 -10.837 3.463 -4.648 1.00 33.04 C ATOM 661 O SER A 46 -11.350 4.310 -3.908 1.00 20.00 O ATOM 662 CB SER A 46 -11.924 1.607 -3.202 1.00 64.12 C ATOM 663 OG SER A 46 -13.304 1.772 -3.462 1.00 52.31 O ATOM 0 H SER A 46 -9.525 1.274 -3.122 1.00 0.31 H new ATOM 0 HA SER A 46 -11.492 1.570 -5.288 1.00 44.52 H new ATOM 0 HB2 SER A 46 -11.741 0.572 -2.913 1.00 64.12 H new ATOM 0 HB3 SER A 46 -11.649 2.229 -2.350 1.00 64.12 H new ATOM 0 HG SER A 46 -13.819 1.528 -2.665 1.00 52.31 H new ATOM 777 N VAL A 56 -8.885 10.472 -6.136 1.00 1.42 N ATOM 778 CA VAL A 56 -8.782 11.430 -5.047 1.00 11.50 C ATOM 779 C VAL A 56 -7.328 11.886 -5.004 1.00 51.33 C ATOM 780 O VAL A 56 -6.401 11.071 -5.067 1.00 23.34 O ATOM 781 CB VAL A 56 -9.187 10.765 -3.718 1.00 0.54 C ATOM 782 CG1 VAL A 56 -9.117 11.708 -2.511 1.00 74.33 C ATOM 783 CG2 VAL A 56 -10.602 10.171 -3.759 1.00 55.31 C ATOM 0 HA VAL A 56 -9.448 12.280 -5.200 1.00 11.50 H new ATOM 0 HB VAL A 56 -8.450 9.972 -3.595 1.00 0.54 H new ATOM 0 HG11 VAL A 56 -9.416 11.170 -1.611 1.00 74.33 H new ATOM 0 HG12 VAL A 56 -8.097 12.073 -2.393 1.00 74.33 H new ATOM 0 HG13 VAL A 56 -9.788 12.552 -2.669 1.00 74.33 H new ATOM 0 HG21 VAL A 56 -10.834 9.716 -2.796 1.00 55.31 H new ATOM 0 HG22 VAL A 56 -11.322 10.961 -3.969 1.00 55.31 H new ATOM 0 HG23 VAL A 56 -10.656 9.413 -4.541 1.00 55.31 H new ATOM 793 N LEU A 57 -7.128 13.190 -4.836 1.00 61.01 N ATOM 794 CA LEU A 57 -5.818 13.770 -4.547 1.00 12.51 C ATOM 795 C LEU A 57 -5.517 13.483 -3.071 1.00 51.25 C ATOM 796 O LEU A 57 -6.294 13.921 -2.211 1.00 1.14 O ATOM 797 CB LEU A 57 -5.788 15.277 -4.866 1.00 1.53 C ATOM 798 CG LEU A 57 -4.418 15.826 -5.322 1.00 4.13 C ATOM 799 CD1 LEU A 57 -3.269 15.538 -4.347 1.00 54.11 C ATOM 800 CD2 LEU A 57 -4.007 15.330 -6.714 1.00 23.31 C ATOM 0 H LEU A 57 -7.876 13.881 -4.897 1.00 61.01 H new ATOM 0 HA LEU A 57 -5.049 13.324 -5.178 1.00 12.51 H new ATOM 0 HB2 LEU A 57 -6.521 15.482 -5.646 1.00 1.53 H new ATOM 0 HB3 LEU A 57 -6.105 15.826 -3.979 1.00 1.53 H new ATOM 0 HG LEU A 57 -4.580 16.904 -5.351 1.00 4.13 H new ATOM 0 HD11 LEU A 57 -2.343 15.957 -4.742 1.00 54.11 H new ATOM 0 HD12 LEU A 57 -3.489 15.992 -3.381 1.00 54.11 H new ATOM 0 HD13 LEU A 57 -3.157 14.461 -4.225 1.00 54.11 H new ATOM 0 HD21 LEU A 57 -3.036 15.750 -6.978 1.00 23.31 H new ATOM 0 HD22 LEU A 57 -3.942 14.242 -6.708 1.00 23.31 H new ATOM 0 HD23 LEU A 57 -4.750 15.645 -7.447 1.00 23.31 H new ATOM 811 N VAL A 58 -4.466 12.713 -2.769 1.00 31.44 N ATOM 812 CA VAL A 58 -4.054 12.359 -1.421 1.00 61.12 C ATOM 813 C VAL A 58 -2.598 12.785 -1.227 1.00 11.10 C ATOM 814 O VAL A 58 -1.703 12.459 -2.011 1.00 62.43 O ATOM 815 CB VAL A 58 -4.285 10.861 -1.153 1.00 20.24 C ATOM 816 CG1 VAL A 58 -4.049 10.544 0.328 1.00 0.52 C ATOM 817 CG2 VAL A 58 -5.729 10.469 -1.463 1.00 4.51 C ATOM 0 H VAL A 58 -3.863 12.309 -3.486 1.00 31.44 H new ATOM 0 HA VAL A 58 -4.662 12.888 -0.687 1.00 61.12 H new ATOM 0 HB VAL A 58 -3.593 10.310 -1.790 1.00 20.24 H new ATOM 0 HG11 VAL A 58 -4.216 9.481 0.504 1.00 0.52 H new ATOM 0 HG12 VAL A 58 -3.024 10.800 0.596 1.00 0.52 H new ATOM 0 HG13 VAL A 58 -4.739 11.125 0.939 1.00 0.52 H new ATOM 0 HG21 VAL A 58 -5.868 9.406 -1.266 1.00 4.51 H new ATOM 0 HG22 VAL A 58 -6.406 11.046 -0.833 1.00 4.51 H new ATOM 0 HG23 VAL A 58 -5.945 10.675 -2.511 1.00 4.51 H new ATOM 827 N THR A 59 -2.396 13.587 -0.192 1.00 1.51 N ATOM 828 CA THR A 59 -1.136 14.146 0.297 1.00 44.44 C ATOM 829 C THR A 59 -0.212 13.064 0.898 1.00 0.14 C ATOM 830 O THR A 59 -0.691 11.955 1.167 1.00 35.13 O ATOM 831 CB THR A 59 -1.513 15.238 1.314 1.00 42.32 C ATOM 832 OG1 THR A 59 -2.652 14.863 2.068 1.00 34.02 O ATOM 833 CG2 THR A 59 -1.874 16.519 0.556 1.00 13.50 C ATOM 0 H THR A 59 -3.181 13.894 0.383 1.00 1.51 H new ATOM 0 HA THR A 59 -0.555 14.573 -0.521 1.00 44.44 H new ATOM 0 HB THR A 59 -0.663 15.385 1.980 1.00 42.32 H new ATOM 0 HG1 THR A 59 -2.869 15.573 2.708 1.00 34.02 H new ATOM 0 HG21 THR A 59 -2.143 17.299 1.268 1.00 13.50 H new ATOM 0 HG22 THR A 59 -1.018 16.846 -0.035 1.00 13.50 H new ATOM 0 HG23 THR A 59 -2.718 16.325 -0.105 1.00 13.50 H new ATOM 841 N HIS A 60 1.077 13.363 1.146 1.00 22.22 N ATOM 842 CA HIS A 60 1.997 12.411 1.790 1.00 0.53 C ATOM 843 C HIS A 60 1.512 12.062 3.211 1.00 71.45 C ATOM 844 O HIS A 60 0.611 12.696 3.772 1.00 42.11 O ATOM 845 CB HIS A 60 3.460 12.902 1.875 1.00 64.21 C ATOM 846 CG HIS A 60 4.180 13.366 0.639 1.00 43.14 C ATOM 847 ND1 HIS A 60 5.422 13.953 0.636 1.00 43.54 N ATOM 848 CD2 HIS A 60 3.802 13.216 -0.658 1.00 33.21 C ATOM 849 CE1 HIS A 60 5.787 14.159 -0.637 1.00 42.12 C ATOM 850 NE2 HIS A 60 4.813 13.752 -1.467 1.00 63.01 N ATOM 0 H HIS A 60 1.504 14.258 0.909 1.00 22.22 H new ATOM 0 HA HIS A 60 1.989 11.531 1.147 1.00 0.53 H new ATOM 0 HB2 HIS A 60 3.483 13.725 2.589 1.00 64.21 H new ATOM 0 HB3 HIS A 60 4.048 12.091 2.305 1.00 64.21 H new ATOM 0 HD1 HIS A 60 5.972 14.191 1.461 1.00 43.54 H new ATOM 0 HD2 HIS A 60 2.884 12.764 -1.004 1.00 33.21 H new ATOM 0 HE1 HIS A 60 6.727 14.589 -0.950 1.00 42.12 H new ATOM 857 N LYS A 61 2.147 11.066 3.836 1.00 12.31 N ATOM 858 CA LYS A 61 1.781 10.543 5.149 1.00 35.40 C ATOM 859 C LYS A 61 3.069 10.408 5.941 1.00 11.40 C ATOM 860 O LYS A 61 3.952 9.638 5.565 1.00 31.22 O ATOM 861 CB LYS A 61 1.096 9.169 4.999 1.00 13.50 C ATOM 862 CG LYS A 61 -0.047 9.041 3.973 1.00 1.44 C ATOM 863 CD LYS A 61 -1.441 9.271 4.564 1.00 13.32 C ATOM 864 CE LYS A 61 -1.607 10.733 4.984 1.00 13.52 C ATOM 865 NZ LYS A 61 -3.000 11.049 5.355 1.00 33.33 N ATOM 0 H LYS A 61 2.952 10.590 3.428 1.00 12.31 H new ATOM 0 HA LYS A 61 1.081 11.207 5.656 1.00 35.40 H new ATOM 0 HB2 LYS A 61 1.863 8.440 4.738 1.00 13.50 H new ATOM 0 HB3 LYS A 61 0.703 8.883 5.975 1.00 13.50 H new ATOM 0 HG2 LYS A 61 0.118 9.758 3.168 1.00 1.44 H new ATOM 0 HG3 LYS A 61 -0.012 8.047 3.527 1.00 1.44 H new ATOM 0 HD2 LYS A 61 -2.202 9.008 3.830 1.00 13.32 H new ATOM 0 HD3 LYS A 61 -1.590 8.619 5.425 1.00 13.32 H new ATOM 0 HE2 LYS A 61 -0.951 10.944 5.828 1.00 13.52 H new ATOM 0 HE3 LYS A 61 -1.294 11.382 4.167 1.00 13.52 H new ATOM 0 HZ1 LYS A 61 -3.067 12.049 5.633 1.00 33.33 H new ATOM 0 HZ2 LYS A 61 -3.624 10.873 4.542 1.00 33.33 H new ATOM 0 HZ3 LYS A 61 -3.292 10.448 6.152 1.00 33.33 H new ATOM 875 N LYS A 62 3.153 11.204 7.006 1.00 0.51 N ATOM 876 CA LYS A 62 4.342 11.440 7.810 1.00 53.21 C ATOM 877 C LYS A 62 4.954 10.128 8.274 1.00 15.40 C ATOM 878 O LYS A 62 6.151 9.897 8.111 1.00 71.32 O ATOM 879 CB LYS A 62 4.075 12.405 8.985 1.00 12.40 C ATOM 880 CG LYS A 62 2.693 12.313 9.637 1.00 32.23 C ATOM 881 CD LYS A 62 1.700 13.254 8.949 1.00 12.14 C ATOM 882 CE LYS A 62 0.286 12.679 8.925 1.00 3.32 C ATOM 883 NZ LYS A 62 -0.698 13.734 8.613 1.00 64.23 N ATOM 0 H LYS A 62 2.347 11.728 7.346 1.00 0.51 H new ATOM 0 HA LYS A 62 5.072 11.937 7.172 1.00 53.21 H new ATOM 0 HB2 LYS A 62 4.828 12.226 9.753 1.00 12.40 H new ATOM 0 HB3 LYS A 62 4.218 13.425 8.629 1.00 12.40 H new ATOM 0 HG2 LYS A 62 2.327 11.288 9.580 1.00 32.23 H new ATOM 0 HG3 LYS A 62 2.768 12.567 10.694 1.00 32.23 H new ATOM 0 HD2 LYS A 62 1.692 14.213 9.467 1.00 12.14 H new ATOM 0 HD3 LYS A 62 2.030 13.445 7.928 1.00 12.14 H new ATOM 0 HE2 LYS A 62 0.223 11.884 8.182 1.00 3.32 H new ATOM 0 HE3 LYS A 62 0.053 12.231 9.891 1.00 3.32 H new ATOM 0 HZ1 LYS A 62 -1.654 13.325 8.601 1.00 64.23 H new ATOM 0 HZ2 LYS A 62 -0.650 14.479 9.337 1.00 64.23 H new ATOM 0 HZ3 LYS A 62 -0.485 14.143 7.681 1.00 64.23 H new ATOM 893 N ASN A 63 4.139 9.306 8.923 1.00 31.30 N ATOM 894 CA ASN A 63 4.570 8.143 9.666 1.00 52.52 C ATOM 895 C ASN A 63 3.351 7.238 9.734 1.00 74.14 C ATOM 896 O ASN A 63 2.422 7.456 10.515 1.00 12.10 O ATOM 897 CB ASN A 63 5.148 8.477 11.064 1.00 50.51 C ATOM 898 CG ASN A 63 5.142 9.953 11.451 1.00 62.23 C ATOM 899 OD1 ASN A 63 4.119 10.484 11.860 1.00 44.15 O ATOM 900 ND2 ASN A 63 6.249 10.657 11.254 1.00 50.11 N ATOM 0 H ASN A 63 3.128 9.441 8.943 1.00 31.30 H new ATOM 0 HA ASN A 63 5.407 7.654 9.167 1.00 52.52 H new ATOM 0 HB2 ASN A 63 4.581 7.923 11.812 1.00 50.51 H new ATOM 0 HB3 ASN A 63 6.175 8.114 11.108 1.00 50.51 H new ATOM 0 HD21 ASN A 63 6.257 11.659 11.444 1.00 50.11 H new ATOM 0 HD22 ASN A 63 7.092 10.196 10.912 1.00 50.11 H new ATOM 906 N VAL A 64 3.320 6.267 8.830 1.00 44.23 N ATOM 907 CA VAL A 64 2.336 5.196 8.801 1.00 65.41 C ATOM 908 C VAL A 64 3.033 3.871 9.062 1.00 74.15 C ATOM 909 O VAL A 64 3.966 3.480 8.355 1.00 44.55 O ATOM 910 CB VAL A 64 1.560 5.207 7.472 1.00 71.03 C ATOM 911 CG1 VAL A 64 0.532 4.075 7.316 1.00 14.31 C ATOM 912 CG2 VAL A 64 0.828 6.547 7.324 1.00 65.35 C ATOM 0 H VAL A 64 4.001 6.203 8.074 1.00 44.23 H new ATOM 0 HA VAL A 64 1.597 5.347 9.588 1.00 65.41 H new ATOM 0 HB VAL A 64 2.309 5.055 6.695 1.00 71.03 H new ATOM 0 HG11 VAL A 64 0.036 4.165 6.350 1.00 14.31 H new ATOM 0 HG12 VAL A 64 1.039 3.112 7.375 1.00 14.31 H new ATOM 0 HG13 VAL A 64 -0.209 4.144 8.112 1.00 14.31 H new ATOM 0 HG21 VAL A 64 0.277 6.559 6.384 1.00 65.35 H new ATOM 0 HG22 VAL A 64 0.133 6.675 8.154 1.00 65.35 H new ATOM 0 HG23 VAL A 64 1.553 7.360 7.330 1.00 65.35 H new ATOM 922 N ASN A 65 2.539 3.149 10.056 1.00 23.34 N ATOM 923 CA ASN A 65 2.894 1.774 10.332 1.00 24.10 C ATOM 924 C ASN A 65 1.602 0.974 10.396 1.00 21.23 C ATOM 925 O ASN A 65 0.602 1.423 10.953 1.00 30.10 O ATOM 926 CB ASN A 65 3.669 1.669 11.649 1.00 71.15 C ATOM 927 CG ASN A 65 5.058 2.294 11.593 1.00 41.42 C ATOM 928 OD1 ASN A 65 5.326 3.301 12.236 1.00 62.33 O ATOM 929 ND2 ASN A 65 6.012 1.740 10.856 1.00 4.32 N ATOM 0 H ASN A 65 1.855 3.522 10.714 1.00 23.34 H new ATOM 0 HA ASN A 65 3.543 1.382 9.549 1.00 24.10 H new ATOM 0 HB2 ASN A 65 3.094 2.153 12.438 1.00 71.15 H new ATOM 0 HB3 ASN A 65 3.764 0.618 11.922 1.00 71.15 H new ATOM 0 HD21 ASN A 65 6.944 2.153 10.834 1.00 4.32 H new ATOM 0 HD22 ASN A 65 5.813 0.901 10.312 1.00 4.32 H new ATOM 935 N ILE A 66 1.612 -0.236 9.846 1.00 61.11 N ATOM 936 CA ILE A 66 0.446 -1.107 9.891 1.00 63.33 C ATOM 937 C ILE A 66 0.309 -1.626 11.321 1.00 64.35 C ATOM 938 O ILE A 66 1.257 -2.228 11.845 1.00 41.25 O ATOM 939 CB ILE A 66 0.573 -2.222 8.834 1.00 71.34 C ATOM 940 CG1 ILE A 66 0.534 -1.582 7.438 1.00 70.44 C ATOM 941 CG2 ILE A 66 -0.457 -3.351 8.984 1.00 22.20 C ATOM 942 CD1 ILE A 66 0.576 -2.640 6.349 1.00 4.33 C ATOM 0 H ILE A 66 2.417 -0.635 9.363 1.00 61.11 H new ATOM 0 HA ILE A 66 -0.469 -0.571 9.638 1.00 63.33 H new ATOM 0 HB ILE A 66 1.530 -2.720 8.988 1.00 71.34 H new ATOM 0 HG12 ILE A 66 -0.372 -0.985 7.334 1.00 70.44 H new ATOM 0 HG13 ILE A 66 1.379 -0.903 7.322 1.00 70.44 H new ATOM 0 HG21 ILE A 66 -0.299 -4.094 8.202 1.00 22.20 H new ATOM 0 HG22 ILE A 66 -0.342 -3.821 9.960 1.00 22.20 H new ATOM 0 HG23 ILE A 66 -1.463 -2.940 8.896 1.00 22.20 H new ATOM 0 HD11 ILE A 66 0.547 -2.158 5.372 1.00 4.33 H new ATOM 0 HD12 ILE A 66 1.494 -3.220 6.440 1.00 4.33 H new ATOM 0 HD13 ILE A 66 -0.283 -3.303 6.452 1.00 4.33 H new ATOM 953 N ASN A 67 -0.844 -1.421 11.966 1.00 10.33 N ATOM 954 CA ASN A 67 -1.100 -2.000 13.274 1.00 31.12 C ATOM 955 C ASN A 67 -1.139 -3.522 13.137 1.00 34.31 C ATOM 956 O ASN A 67 -0.496 -4.240 13.913 1.00 54.11 O ATOM 957 CB ASN A 67 -2.402 -1.460 13.904 1.00 53.31 C ATOM 958 CG ASN A 67 -2.190 -1.226 15.388 1.00 44.42 C ATOM 959 OD1 ASN A 67 -1.524 -2.017 16.057 1.00 4.20 O ATOM 960 ND2 ASN A 67 -2.669 -0.116 15.913 1.00 31.53 N ATOM 0 H ASN A 67 -1.610 -0.857 11.598 1.00 10.33 H new ATOM 0 HA ASN A 67 -0.295 -1.712 13.950 1.00 31.12 H new ATOM 0 HB2 ASN A 67 -2.695 -0.530 13.417 1.00 53.31 H new ATOM 0 HB3 ASN A 67 -3.214 -2.170 13.750 1.00 53.31 H new ATOM 0 HD21 ASN A 67 -2.491 0.103 16.893 1.00 31.53 H new ATOM 0 HD22 ASN A 67 -3.218 0.524 15.339 1.00 31.53 H new ATOM 966 N ALA A 68 -1.827 -4.033 12.105 1.00 50.13 N ATOM 967 CA ALA A 68 -2.190 -5.437 12.007 1.00 41.23 C ATOM 968 C ALA A 68 -2.691 -5.796 10.602 1.00 70.25 C ATOM 969 O ALA A 68 -2.882 -4.930 9.744 1.00 32.40 O ATOM 970 CB ALA A 68 -3.247 -5.738 13.081 1.00 62.15 C ATOM 0 H ALA A 68 -2.145 -3.472 11.315 1.00 50.13 H new ATOM 0 HA ALA A 68 -1.309 -6.055 12.179 1.00 41.23 H new ATOM 0 HB1 ALA A 68 -3.534 -6.788 13.025 1.00 62.15 H new ATOM 0 HB2 ALA A 68 -2.834 -5.527 14.067 1.00 62.15 H new ATOM 0 HB3 ALA A 68 -4.124 -5.113 12.914 1.00 62.15 H new ATOM 976 N ILE A 69 -2.856 -7.101 10.383 1.00 23.22 N ATOM 977 CA ILE A 69 -3.335 -7.745 9.167 1.00 52.23 C ATOM 978 C ILE A 69 -4.610 -8.483 9.579 1.00 21.13 C ATOM 979 O ILE A 69 -4.663 -9.003 10.701 1.00 65.12 O ATOM 980 CB ILE A 69 -2.222 -8.702 8.663 1.00 61.22 C ATOM 981 CG1 ILE A 69 -0.938 -7.926 8.263 1.00 73.41 C ATOM 982 CG2 ILE A 69 -2.633 -9.619 7.494 1.00 70.52 C ATOM 983 CD1 ILE A 69 0.159 -7.956 9.337 1.00 51.35 C ATOM 0 H ILE A 69 -2.641 -7.784 11.109 1.00 23.22 H new ATOM 0 HA ILE A 69 -3.557 -7.057 8.351 1.00 52.23 H new ATOM 0 HB ILE A 69 -2.028 -9.348 9.519 1.00 61.22 H new ATOM 0 HG12 ILE A 69 -0.542 -8.348 7.339 1.00 73.41 H new ATOM 0 HG13 ILE A 69 -1.201 -6.889 8.053 1.00 73.41 H new ATOM 0 HG21 ILE A 69 -1.790 -10.250 7.213 1.00 70.52 H new ATOM 0 HG22 ILE A 69 -3.469 -10.247 7.801 1.00 70.52 H new ATOM 0 HG23 ILE A 69 -2.931 -9.010 6.641 1.00 70.52 H new ATOM 0 HD11 ILE A 69 1.025 -7.394 8.988 1.00 51.35 H new ATOM 0 HD12 ILE A 69 -0.219 -7.507 10.256 1.00 51.35 H new ATOM 0 HD13 ILE A 69 0.450 -8.988 9.531 1.00 51.35 H new ATOM 994 N THR A 70 -5.603 -8.594 8.690 1.00 50.02 N ATOM 995 CA THR A 70 -6.806 -9.375 8.997 1.00 45.15 C ATOM 996 C THR A 70 -7.143 -10.197 7.764 1.00 25.14 C ATOM 997 O THR A 70 -7.744 -9.658 6.839 1.00 64.31 O ATOM 998 CB THR A 70 -8.008 -8.501 9.420 1.00 22.33 C ATOM 999 OG1 THR A 70 -7.649 -7.242 9.942 1.00 24.42 O ATOM 1000 CG2 THR A 70 -8.907 -9.238 10.400 1.00 51.03 C ATOM 0 H THR A 70 -5.599 -8.161 7.767 1.00 50.02 H new ATOM 0 HA THR A 70 -6.600 -10.015 9.855 1.00 45.15 H new ATOM 0 HB THR A 70 -8.557 -8.306 8.499 1.00 22.33 H new ATOM 0 HG1 THR A 70 -8.458 -6.746 10.185 1.00 24.42 H new ATOM 0 HG21 THR A 70 -9.744 -8.597 10.679 1.00 51.03 H new ATOM 0 HG22 THR A 70 -9.286 -10.147 9.933 1.00 51.03 H new ATOM 0 HG23 THR A 70 -8.337 -9.499 11.292 1.00 51.03 H new ATOM 1008 N PRO A 71 -6.706 -11.458 7.693 1.00 64.11 N ATOM 1009 CA PRO A 71 -6.827 -12.290 6.511 1.00 62.32 C ATOM 1010 C PRO A 71 -8.278 -12.727 6.319 1.00 33.41 C ATOM 1011 O PRO A 71 -8.734 -13.725 6.879 1.00 45.11 O ATOM 1012 CB PRO A 71 -5.838 -13.433 6.742 1.00 43.14 C ATOM 1013 CG PRO A 71 -5.791 -13.573 8.265 1.00 41.14 C ATOM 1014 CD PRO A 71 -5.996 -12.154 8.751 1.00 5.24 C ATOM 0 HA PRO A 71 -6.583 -11.780 5.579 1.00 62.32 H new ATOM 0 HB2 PRO A 71 -6.173 -14.354 6.266 1.00 43.14 H new ATOM 0 HB3 PRO A 71 -4.855 -13.201 6.331 1.00 43.14 H new ATOM 0 HG2 PRO A 71 -6.571 -14.241 8.632 1.00 41.14 H new ATOM 0 HG3 PRO A 71 -4.838 -13.980 8.602 1.00 41.14 H new ATOM 0 HD2 PRO A 71 -6.569 -12.140 9.678 1.00 5.24 H new ATOM 0 HD3 PRO A 71 -5.040 -11.673 8.960 1.00 5.24 H new ATOM 1019 N VAL A 72 -9.022 -11.940 5.544 1.00 65.45 N ATOM 1020 CA VAL A 72 -10.391 -12.217 5.163 1.00 74.14 C ATOM 1021 C VAL A 72 -10.369 -13.450 4.249 1.00 43.23 C ATOM 1022 O VAL A 72 -9.674 -13.480 3.225 1.00 2.01 O ATOM 1023 CB VAL A 72 -11.035 -10.968 4.512 1.00 42.12 C ATOM 1024 CG1 VAL A 72 -12.558 -11.142 4.492 1.00 23.51 C ATOM 1025 CG2 VAL A 72 -10.712 -9.654 5.261 1.00 65.21 C ATOM 0 H VAL A 72 -8.670 -11.065 5.155 1.00 65.45 H new ATOM 0 HA VAL A 72 -11.016 -12.440 6.028 1.00 74.14 H new ATOM 0 HB VAL A 72 -10.619 -10.889 3.507 1.00 42.12 H new ATOM 0 HG11 VAL A 72 -13.018 -10.266 4.035 1.00 23.51 H new ATOM 0 HG12 VAL A 72 -12.815 -12.030 3.915 1.00 23.51 H new ATOM 0 HG13 VAL A 72 -12.925 -11.254 5.512 1.00 23.51 H new ATOM 0 HG21 VAL A 72 -11.193 -8.818 4.753 1.00 65.21 H new ATOM 0 HG22 VAL A 72 -11.081 -9.718 6.284 1.00 65.21 H new ATOM 0 HG23 VAL A 72 -9.633 -9.498 5.274 1.00 65.21 H new ATOM 1035 N GLY A 73 -11.090 -14.500 4.638 1.00 71.15 N ATOM 1036 CA GLY A 73 -11.175 -15.753 3.909 1.00 72.51 C ATOM 1037 C GLY A 73 -9.796 -16.354 3.691 1.00 51.34 C ATOM 1038 O GLY A 73 -9.115 -16.745 4.640 1.00 12.10 O ATOM 0 H GLY A 73 -11.645 -14.497 5.494 1.00 71.15 H new ATOM 0 HA2 GLY A 73 -11.799 -16.457 4.461 1.00 72.51 H new ATOM 0 HA3 GLY A 73 -11.658 -15.585 2.947 1.00 72.51 H new ATOM 1042 N ASN A 74 -9.382 -16.432 2.432 1.00 30.52 N ATOM 1043 CA ASN A 74 -8.071 -16.900 2.000 1.00 30.13 C ATOM 1044 C ASN A 74 -7.522 -16.075 0.842 1.00 73.24 C ATOM 1045 O ASN A 74 -6.528 -16.461 0.230 1.00 1.34 O ATOM 1046 CB ASN A 74 -8.173 -18.395 1.643 1.00 70.32 C ATOM 1047 CG ASN A 74 -7.302 -19.231 2.555 1.00 5.24 C ATOM 1048 OD1 ASN A 74 -6.647 -20.158 2.100 1.00 73.11 O ATOM 1049 ND2 ASN A 74 -7.329 -18.969 3.848 1.00 51.15 N ATOM 0 H ASN A 74 -9.977 -16.159 1.650 1.00 30.52 H new ATOM 0 HA ASN A 74 -7.360 -16.773 2.816 1.00 30.13 H new ATOM 0 HB2 ASN A 74 -9.210 -18.722 1.724 1.00 70.32 H new ATOM 0 HB3 ASN A 74 -7.871 -18.546 0.607 1.00 70.32 H new ATOM 0 HD21 ASN A 74 -6.794 -19.547 4.497 1.00 51.15 H new ATOM 0 HD22 ASN A 74 -7.885 -18.189 4.199 1.00 51.15 H new ATOM 1055 N TYR A 75 -8.182 -14.962 0.516 1.00 32.03 N ATOM 1056 CA TYR A 75 -7.998 -14.262 -0.755 1.00 5.31 C ATOM 1057 C TYR A 75 -7.562 -12.796 -0.581 1.00 5.30 C ATOM 1058 O TYR A 75 -7.357 -12.081 -1.567 1.00 64.03 O ATOM 1059 CB TYR A 75 -9.272 -14.432 -1.594 1.00 30.13 C ATOM 1060 CG TYR A 75 -10.568 -13.969 -0.957 1.00 25.42 C ATOM 1061 CD1 TYR A 75 -11.323 -14.841 -0.144 1.00 70.15 C ATOM 1062 CD2 TYR A 75 -11.050 -12.684 -1.240 1.00 13.53 C ATOM 1063 CE1 TYR A 75 -12.531 -14.406 0.434 1.00 72.52 C ATOM 1064 CE2 TYR A 75 -12.280 -12.262 -0.715 1.00 53.15 C ATOM 1065 CZ TYR A 75 -13.012 -13.107 0.150 1.00 74.33 C ATOM 1066 OH TYR A 75 -14.156 -12.630 0.715 1.00 2.10 O ATOM 0 H TYR A 75 -8.864 -14.519 1.132 1.00 32.03 H new ATOM 0 HA TYR A 75 -7.165 -14.712 -1.295 1.00 5.31 H new ATOM 0 HB2 TYR A 75 -9.139 -13.890 -2.530 1.00 30.13 H new ATOM 0 HB3 TYR A 75 -9.375 -15.487 -1.849 1.00 30.13 H new ATOM 0 HD1 TYR A 75 -10.973 -15.847 0.036 1.00 70.15 H new ATOM 0 HD2 TYR A 75 -10.473 -12.017 -1.864 1.00 13.53 H new ATOM 0 HE1 TYR A 75 -13.086 -15.060 1.090 1.00 72.52 H new ATOM 0 HE2 TYR A 75 -12.669 -11.288 -0.972 1.00 53.15 H new ATOM 0 HH TYR A 75 -14.322 -11.718 0.398 1.00 2.10 H new ATOM 1075 N ALA A 76 -7.438 -12.329 0.667 1.00 14.42 N ATOM 1076 CA ALA A 76 -7.249 -10.931 1.027 1.00 24.31 C ATOM 1077 C ALA A 76 -7.044 -10.778 2.506 1.00 52.15 C ATOM 1078 O ALA A 76 -7.162 -11.708 3.301 1.00 11.24 O ATOM 1079 CB ALA A 76 -8.528 -10.171 0.659 1.00 42.23 C ATOM 0 H ALA A 76 -7.469 -12.944 1.480 1.00 14.42 H new ATOM 0 HA ALA A 76 -6.375 -10.548 0.501 1.00 24.31 H new ATOM 0 HB1 ALA A 76 -8.413 -9.119 0.919 1.00 42.23 H new ATOM 0 HB2 ALA A 76 -8.710 -10.263 -0.412 1.00 42.23 H new ATOM 0 HB3 ALA A 76 -9.371 -10.590 1.208 1.00 42.23 H new ATOM 1085 N VAL A 77 -6.747 -9.535 2.818 1.00 14.40 N ATOM 1086 CA VAL A 77 -6.453 -8.924 4.061 1.00 1.10 C ATOM 1087 C VAL A 77 -7.120 -7.555 4.151 1.00 2.21 C ATOM 1088 O VAL A 77 -7.399 -6.897 3.155 1.00 12.41 O ATOM 1089 CB VAL A 77 -4.927 -8.954 4.186 1.00 31.52 C ATOM 1090 CG1 VAL A 77 -4.394 -7.973 5.139 1.00 45.01 C ATOM 1091 CG2 VAL A 77 -4.405 -10.323 4.642 1.00 45.02 C ATOM 0 H VAL A 77 -6.705 -8.838 2.074 1.00 14.40 H new ATOM 0 HA VAL A 77 -6.865 -9.447 4.924 1.00 1.10 H new ATOM 0 HB VAL A 77 -4.585 -8.716 3.179 1.00 31.52 H new ATOM 0 HG11 VAL A 77 -3.308 -8.053 5.174 1.00 45.01 H new ATOM 0 HG12 VAL A 77 -4.674 -6.968 4.822 1.00 45.01 H new ATOM 0 HG13 VAL A 77 -4.804 -8.168 6.130 1.00 45.01 H new ATOM 0 HG21 VAL A 77 -3.318 -10.292 4.715 1.00 45.02 H new ATOM 0 HG22 VAL A 77 -4.827 -10.567 5.617 1.00 45.02 H new ATOM 0 HG23 VAL A 77 -4.698 -11.084 3.919 1.00 45.02 H new ATOM 1101 N LYS A 78 -7.332 -7.143 5.389 1.00 65.11 N ATOM 1102 CA LYS A 78 -7.517 -5.783 5.871 1.00 41.24 C ATOM 1103 C LYS A 78 -6.163 -5.352 6.418 1.00 74.25 C ATOM 1104 O LYS A 78 -5.590 -6.093 7.213 1.00 63.25 O ATOM 1105 CB LYS A 78 -8.563 -5.781 6.995 1.00 41.14 C ATOM 1106 CG LYS A 78 -9.856 -5.023 6.688 1.00 22.24 C ATOM 1107 CD LYS A 78 -10.930 -5.298 7.753 1.00 44.41 C ATOM 1108 CE LYS A 78 -11.453 -6.737 7.677 1.00 53.45 C ATOM 1109 NZ LYS A 78 -12.442 -7.033 8.729 1.00 72.43 N ATOM 0 H LYS A 78 -7.384 -7.815 6.155 1.00 65.11 H new ATOM 0 HA LYS A 78 -7.863 -5.111 5.086 1.00 41.24 H new ATOM 0 HB2 LYS A 78 -8.816 -6.814 7.235 1.00 41.14 H new ATOM 0 HB3 LYS A 78 -8.111 -5.348 7.888 1.00 41.14 H new ATOM 0 HG2 LYS A 78 -9.651 -3.953 6.643 1.00 22.24 H new ATOM 0 HG3 LYS A 78 -10.229 -5.318 5.707 1.00 22.24 H new ATOM 0 HD2 LYS A 78 -10.515 -5.114 8.744 1.00 44.41 H new ATOM 0 HD3 LYS A 78 -11.759 -4.603 7.621 1.00 44.41 H new ATOM 0 HE2 LYS A 78 -11.905 -6.905 6.700 1.00 53.45 H new ATOM 0 HE3 LYS A 78 -10.616 -7.430 7.764 1.00 53.45 H new ATOM 0 HZ1 LYS A 78 -12.765 -8.017 8.635 1.00 72.43 H new ATOM 0 HZ2 LYS A 78 -12.005 -6.900 9.663 1.00 72.43 H new ATOM 0 HZ3 LYS A 78 -13.255 -6.391 8.632 1.00 72.43 H new ATOM 1119 N LEU A 79 -5.616 -4.230 5.957 1.00 23.50 N ATOM 1120 CA LEU A 79 -4.375 -3.662 6.482 1.00 10.44 C ATOM 1121 C LEU A 79 -4.793 -2.439 7.284 1.00 10.02 C ATOM 1122 O LEU A 79 -5.342 -1.503 6.700 1.00 54.01 O ATOM 1123 CB LEU A 79 -3.402 -3.280 5.348 1.00 63.44 C ATOM 1124 CG LEU A 79 -2.846 -4.472 4.543 1.00 62.12 C ATOM 1125 CD1 LEU A 79 -1.911 -3.981 3.434 1.00 34.31 C ATOM 1126 CD2 LEU A 79 -2.077 -5.489 5.402 1.00 2.24 C ATOM 0 H LEU A 79 -6.026 -3.683 5.200 1.00 23.50 H new ATOM 0 HA LEU A 79 -3.839 -4.384 7.099 1.00 10.44 H new ATOM 0 HB2 LEU A 79 -3.913 -2.604 4.663 1.00 63.44 H new ATOM 0 HB3 LEU A 79 -2.566 -2.728 5.777 1.00 63.44 H new ATOM 0 HG LEU A 79 -3.719 -4.975 4.128 1.00 62.12 H new ATOM 0 HD11 LEU A 79 -1.528 -4.836 2.876 1.00 34.31 H new ATOM 0 HD12 LEU A 79 -2.460 -3.324 2.760 1.00 34.31 H new ATOM 0 HD13 LEU A 79 -1.078 -3.434 3.876 1.00 34.31 H new ATOM 0 HD21 LEU A 79 -1.715 -6.300 4.770 1.00 2.24 H new ATOM 0 HD22 LEU A 79 -1.230 -4.996 5.879 1.00 2.24 H new ATOM 0 HD23 LEU A 79 -2.740 -5.894 6.167 1.00 2.24 H new ATOM 1137 N VAL A 80 -4.654 -2.464 8.607 1.00 34.52 N ATOM 1138 CA VAL A 80 -5.043 -1.352 9.471 1.00 31.24 C ATOM 1139 C VAL A 80 -3.805 -0.509 9.803 1.00 32.43 C ATOM 1140 O VAL A 80 -2.691 -1.025 9.739 1.00 32.12 O ATOM 1141 CB VAL A 80 -5.762 -1.896 10.718 1.00 10.14 C ATOM 1142 CG1 VAL A 80 -6.899 -2.874 10.389 1.00 13.10 C ATOM 1143 CG2 VAL A 80 -4.825 -2.608 11.681 1.00 62.34 C ATOM 0 H VAL A 80 -4.266 -3.260 9.113 1.00 34.52 H new ATOM 0 HA VAL A 80 -5.749 -0.694 8.964 1.00 31.24 H new ATOM 0 HB VAL A 80 -6.171 -1.000 11.185 1.00 10.14 H new ATOM 0 HG11 VAL A 80 -7.362 -3.218 11.314 1.00 13.10 H new ATOM 0 HG12 VAL A 80 -7.646 -2.371 9.775 1.00 13.10 H new ATOM 0 HG13 VAL A 80 -6.498 -3.729 9.844 1.00 13.10 H new ATOM 0 HG21 VAL A 80 -5.391 -2.969 12.540 1.00 62.34 H new ATOM 0 HG22 VAL A 80 -4.356 -3.452 11.175 1.00 62.34 H new ATOM 0 HG23 VAL A 80 -4.055 -1.914 12.019 1.00 62.34 H new ATOM 1153 N PHE A 81 -3.968 0.749 10.203 1.00 21.10 N ATOM 1154 CA PHE A 81 -2.894 1.731 10.261 1.00 4.01 C ATOM 1155 C PHE A 81 -2.907 2.440 11.616 1.00 2.34 C ATOM 1156 O PHE A 81 -3.964 2.861 12.100 1.00 3.14 O ATOM 1157 CB PHE A 81 -3.090 2.716 9.102 1.00 3.04 C ATOM 1158 CG PHE A 81 -3.047 2.064 7.733 1.00 74.33 C ATOM 1159 CD1 PHE A 81 -1.826 1.590 7.215 1.00 53.44 C ATOM 1160 CD2 PHE A 81 -4.227 1.916 6.982 1.00 73.23 C ATOM 1161 CE1 PHE A 81 -1.781 0.989 5.945 1.00 33.40 C ATOM 1162 CE2 PHE A 81 -4.180 1.307 5.715 1.00 71.04 C ATOM 1163 CZ PHE A 81 -2.963 0.838 5.200 1.00 65.02 C ATOM 0 H PHE A 81 -4.870 1.120 10.502 1.00 21.10 H new ATOM 0 HA PHE A 81 -1.921 1.250 10.160 1.00 4.01 H new ATOM 0 HB2 PHE A 81 -4.048 3.221 9.224 1.00 3.04 H new ATOM 0 HB3 PHE A 81 -2.317 3.483 9.154 1.00 3.04 H new ATOM 0 HD1 PHE A 81 -0.921 1.689 7.796 1.00 53.44 H new ATOM 0 HD2 PHE A 81 -5.168 2.269 7.378 1.00 73.23 H new ATOM 0 HE1 PHE A 81 -0.840 0.644 5.543 1.00 33.40 H new ATOM 0 HE2 PHE A 81 -5.085 1.200 5.136 1.00 71.04 H new ATOM 0 HZ PHE A 81 -2.934 0.361 4.231 1.00 65.02 H new ATOM 1172 N ASP A 82 -1.727 2.579 12.222 1.00 61.41 N ATOM 1173 CA ASP A 82 -1.471 3.150 13.542 1.00 30.32 C ATOM 1174 C ASP A 82 -1.815 4.639 13.682 1.00 10.14 C ATOM 1175 O ASP A 82 -1.872 5.139 14.805 1.00 52.23 O ATOM 1176 CB ASP A 82 -0.006 2.894 13.948 1.00 73.45 C ATOM 1177 CG ASP A 82 1.016 3.858 13.330 1.00 41.41 C ATOM 1178 OD1 ASP A 82 0.890 4.201 12.136 1.00 22.10 O ATOM 1179 OD2 ASP A 82 1.985 4.221 14.033 1.00 11.02 O ATOM 0 H ASP A 82 -0.865 2.273 11.770 1.00 61.41 H new ATOM 0 HA ASP A 82 -2.153 2.638 14.221 1.00 30.32 H new ATOM 0 HB2 ASP A 82 0.070 2.954 15.034 1.00 73.45 H new ATOM 0 HB3 ASP A 82 0.261 1.876 13.666 1.00 73.45 H new ATOM 1183 N ASP A 83 -2.090 5.346 12.587 1.00 34.43 N ATOM 1184 CA ASP A 83 -2.588 6.725 12.568 1.00 51.21 C ATOM 1185 C ASP A 83 -4.103 6.772 12.807 1.00 25.21 C ATOM 1186 O ASP A 83 -4.648 7.827 13.127 1.00 5.14 O ATOM 1187 CB ASP A 83 -2.225 7.371 11.224 1.00 14.34 C ATOM 1188 CG ASP A 83 -2.587 8.852 11.139 1.00 52.05 C ATOM 1189 OD1 ASP A 83 -1.817 9.653 11.717 1.00 3.20 O ATOM 1190 OD2 ASP A 83 -3.493 9.191 10.345 1.00 13.43 O ATOM 0 H ASP A 83 -1.968 4.961 11.651 1.00 34.43 H new ATOM 0 HA ASP A 83 -2.118 7.284 13.377 1.00 51.21 H new ATOM 0 HB2 ASP A 83 -1.155 7.257 11.053 1.00 14.34 H new ATOM 0 HB3 ASP A 83 -2.734 6.835 10.423 1.00 14.34 H new ATOM 1194 N GLY A 84 -4.774 5.619 12.701 1.00 1.23 N ATOM 1195 CA GLY A 84 -6.176 5.441 13.049 1.00 62.32 C ATOM 1196 C GLY A 84 -7.026 5.315 11.796 1.00 45.13 C ATOM 1197 O GLY A 84 -7.828 6.197 11.499 1.00 62.15 O ATOM 0 H GLY A 84 -4.337 4.763 12.360 1.00 1.23 H new ATOM 0 HA2 GLY A 84 -6.293 4.550 13.665 1.00 62.32 H new ATOM 0 HA3 GLY A 84 -6.519 6.287 13.644 1.00 62.32 H new ATOM 1201 N HIS A 85 -6.834 4.249 11.022 1.00 12.33 N ATOM 1202 CA HIS A 85 -7.696 3.858 9.926 1.00 72.53 C ATOM 1203 C HIS A 85 -7.623 2.332 9.870 1.00 45.33 C ATOM 1204 O HIS A 85 -6.530 1.792 9.708 1.00 33.33 O ATOM 1205 CB HIS A 85 -7.201 4.488 8.611 1.00 51.32 C ATOM 1206 CG HIS A 85 -7.964 5.714 8.163 1.00 1.31 C ATOM 1207 ND1 HIS A 85 -7.417 6.906 7.732 1.00 4.33 N ATOM 1208 CD2 HIS A 85 -9.324 5.827 8.056 1.00 5.04 C ATOM 1209 CE1 HIS A 85 -8.425 7.704 7.340 1.00 52.41 C ATOM 1210 NE2 HIS A 85 -9.606 7.096 7.541 1.00 23.30 N ATOM 0 H HIS A 85 -6.044 3.616 11.151 1.00 12.33 H new ATOM 0 HA HIS A 85 -8.722 4.197 10.068 1.00 72.53 H new ATOM 0 HB2 HIS A 85 -6.150 4.754 8.726 1.00 51.32 H new ATOM 0 HB3 HIS A 85 -7.255 3.737 7.823 1.00 51.32 H new ATOM 0 HD2 HIS A 85 -10.049 5.072 8.322 1.00 5.04 H new ATOM 0 HE1 HIS A 85 -8.303 8.693 6.923 1.00 52.41 H new ATOM 0 HE2 HIS A 85 -10.530 7.485 7.354 1.00 23.30 H new ATOM 1217 N ASP A 86 -8.750 1.637 10.030 1.00 43.22 N ATOM 1218 CA ASP A 86 -8.806 0.169 10.105 1.00 1.33 C ATOM 1219 C ASP A 86 -9.738 -0.433 9.048 1.00 31.30 C ATOM 1220 O ASP A 86 -10.243 -1.548 9.190 1.00 71.32 O ATOM 1221 CB ASP A 86 -9.073 -0.320 11.545 1.00 4.44 C ATOM 1222 CG ASP A 86 -10.416 0.099 12.151 1.00 70.43 C ATOM 1223 OD1 ASP A 86 -11.487 -0.375 11.703 1.00 44.32 O ATOM 1224 OD2 ASP A 86 -10.407 0.854 13.147 1.00 43.05 O ATOM 0 H ASP A 86 -9.665 2.081 10.113 1.00 43.22 H new ATOM 0 HA ASP A 86 -7.818 -0.214 9.850 1.00 1.33 H new ATOM 0 HB2 ASP A 86 -9.014 -1.408 11.556 1.00 4.44 H new ATOM 0 HB3 ASP A 86 -8.274 0.049 12.188 1.00 4.44 H new ATOM 1228 N THR A 87 -9.946 0.291 7.947 1.00 23.52 N ATOM 1229 CA THR A 87 -10.937 -0.019 6.930 1.00 34.30 C ATOM 1230 C THR A 87 -10.338 0.053 5.515 1.00 32.43 C ATOM 1231 O THR A 87 -10.101 1.134 4.968 1.00 52.44 O ATOM 1232 CB THR A 87 -12.149 0.910 7.146 1.00 42.12 C ATOM 1233 OG1 THR A 87 -11.740 2.266 7.262 1.00 1.12 O ATOM 1234 CG2 THR A 87 -12.924 0.526 8.414 1.00 53.35 C ATOM 0 H THR A 87 -9.410 1.133 7.738 1.00 23.52 H new ATOM 0 HA THR A 87 -11.278 -1.050 7.026 1.00 34.30 H new ATOM 0 HB THR A 87 -12.794 0.795 6.275 1.00 42.12 H new ATOM 0 HG1 THR A 87 -11.056 2.460 6.588 1.00 1.12 H new ATOM 0 HG21 THR A 87 -13.772 1.199 8.540 1.00 53.35 H new ATOM 0 HG22 THR A 87 -13.284 -0.499 8.324 1.00 53.35 H new ATOM 0 HG23 THR A 87 -12.267 0.605 9.280 1.00 53.35 H new ATOM 1242 N GLY A 88 -10.070 -1.096 4.900 1.00 45.32 N ATOM 1243 CA GLY A 88 -9.886 -1.261 3.464 1.00 34.34 C ATOM 1244 C GLY A 88 -9.535 -2.716 3.188 1.00 30.24 C ATOM 1245 O GLY A 88 -8.789 -3.312 3.962 1.00 30.54 O ATOM 0 H GLY A 88 -9.971 -1.973 5.412 1.00 45.32 H new ATOM 0 HA2 GLY A 88 -10.795 -0.983 2.931 1.00 34.34 H new ATOM 0 HA3 GLY A 88 -9.093 -0.605 3.106 1.00 34.34 H new ATOM 1249 N LEU A 89 -10.075 -3.307 2.122 1.00 74.41 N ATOM 1250 CA LEU A 89 -9.719 -4.656 1.693 1.00 50.11 C ATOM 1251 C LEU A 89 -8.575 -4.559 0.685 1.00 51.22 C ATOM 1252 O LEU A 89 -8.570 -3.693 -0.194 1.00 64.11 O ATOM 1253 CB LEU A 89 -10.930 -5.373 1.064 1.00 34.52 C ATOM 1254 CG LEU A 89 -11.589 -6.483 1.903 1.00 14.31 C ATOM 1255 CD1 LEU A 89 -10.643 -7.656 2.104 1.00 65.54 C ATOM 1256 CD2 LEU A 89 -12.116 -6.015 3.260 1.00 65.24 C ATOM 0 H LEU A 89 -10.775 -2.860 1.530 1.00 74.41 H new ATOM 0 HA LEU A 89 -9.405 -5.240 2.558 1.00 50.11 H new ATOM 0 HB2 LEU A 89 -11.688 -4.624 0.836 1.00 34.52 H new ATOM 0 HB3 LEU A 89 -10.614 -5.806 0.115 1.00 34.52 H new ATOM 0 HG LEU A 89 -12.455 -6.797 1.320 1.00 14.31 H new ATOM 0 HD11 LEU A 89 -11.137 -8.424 2.700 1.00 65.54 H new ATOM 0 HD12 LEU A 89 -10.367 -8.071 1.135 1.00 65.54 H new ATOM 0 HD13 LEU A 89 -9.746 -7.316 2.622 1.00 65.54 H new ATOM 0 HD21 LEU A 89 -12.564 -6.858 3.786 1.00 65.24 H new ATOM 0 HD22 LEU A 89 -11.293 -5.614 3.851 1.00 65.24 H new ATOM 0 HD23 LEU A 89 -12.867 -5.239 3.111 1.00 65.24 H new ATOM 1267 N TYR A 90 -7.647 -5.499 0.775 1.00 63.02 N ATOM 1268 CA TYR A 90 -6.413 -5.604 0.016 1.00 25.44 C ATOM 1269 C TYR A 90 -6.371 -7.051 -0.469 1.00 20.01 C ATOM 1270 O TYR A 90 -6.092 -7.966 0.310 1.00 42.25 O ATOM 1271 CB TYR A 90 -5.212 -5.229 0.905 1.00 5.40 C ATOM 1272 CG TYR A 90 -5.148 -3.764 1.314 1.00 53.13 C ATOM 1273 CD1 TYR A 90 -5.922 -3.303 2.395 1.00 53.15 C ATOM 1274 CD2 TYR A 90 -4.301 -2.864 0.636 1.00 35.03 C ATOM 1275 CE1 TYR A 90 -5.882 -1.950 2.776 1.00 42.41 C ATOM 1276 CE2 TYR A 90 -4.214 -1.516 1.037 1.00 22.00 C ATOM 1277 CZ TYR A 90 -5.029 -1.047 2.097 1.00 32.12 C ATOM 1278 OH TYR A 90 -4.999 0.263 2.466 1.00 34.43 O ATOM 0 H TYR A 90 -7.747 -6.270 1.435 1.00 63.02 H new ATOM 0 HA TYR A 90 -6.367 -4.919 -0.831 1.00 25.44 H new ATOM 0 HB2 TYR A 90 -5.241 -5.841 1.806 1.00 5.40 H new ATOM 0 HB3 TYR A 90 -4.294 -5.484 0.376 1.00 5.40 H new ATOM 0 HD1 TYR A 90 -6.552 -3.994 2.936 1.00 53.15 H new ATOM 0 HD2 TYR A 90 -3.712 -3.212 -0.200 1.00 35.03 H new ATOM 0 HE1 TYR A 90 -6.503 -1.599 3.587 1.00 42.41 H new ATOM 0 HE2 TYR A 90 -3.530 -0.844 0.539 1.00 22.00 H new ATOM 0 HH TYR A 90 -4.643 0.339 3.376 1.00 34.43 H new ATOM 1287 N SER A 91 -6.755 -7.265 -1.729 1.00 1.32 N ATOM 1288 CA SER A 91 -6.739 -8.580 -2.368 1.00 22.10 C ATOM 1289 C SER A 91 -5.338 -8.863 -2.856 1.00 64.01 C ATOM 1290 O SER A 91 -4.637 -7.932 -3.223 1.00 35.02 O ATOM 1291 CB SER A 91 -7.739 -8.651 -3.526 1.00 4.14 C ATOM 1292 OG SER A 91 -9.055 -8.717 -3.015 1.00 24.01 O ATOM 0 H SER A 91 -7.090 -6.520 -2.341 1.00 1.32 H new ATOM 0 HA SER A 91 -7.038 -9.334 -1.640 1.00 22.10 H new ATOM 0 HB2 SER A 91 -7.631 -7.776 -4.167 1.00 4.14 H new ATOM 0 HB3 SER A 91 -7.534 -9.526 -4.143 1.00 4.14 H new ATOM 0 HG SER A 91 -9.693 -8.761 -3.758 1.00 24.01 H new ATOM 1297 N TRP A 92 -4.938 -10.131 -2.915 1.00 1.24 N ATOM 1298 CA TRP A 92 -3.580 -10.545 -3.259 1.00 31.24 C ATOM 1299 C TRP A 92 -3.031 -9.858 -4.517 1.00 61.45 C ATOM 1300 O TRP A 92 -1.871 -9.448 -4.517 1.00 73.14 O ATOM 1301 CB TRP A 92 -3.573 -12.065 -3.380 1.00 2.52 C ATOM 1302 CG TRP A 92 -4.012 -12.857 -2.177 1.00 31.11 C ATOM 1303 CD1 TRP A 92 -4.546 -14.094 -2.266 1.00 74.44 C ATOM 1304 CD2 TRP A 92 -3.963 -12.556 -0.737 1.00 14.24 C ATOM 1305 NE1 TRP A 92 -4.744 -14.611 -1.008 1.00 35.22 N ATOM 1306 CE2 TRP A 92 -4.369 -13.728 -0.032 1.00 22.10 C ATOM 1307 CE3 TRP A 92 -3.620 -11.441 0.067 1.00 33.14 C ATOM 1308 CZ2 TRP A 92 -4.359 -13.828 1.361 1.00 5.30 C ATOM 1309 CZ3 TRP A 92 -3.608 -11.523 1.474 1.00 10.51 C ATOM 1310 CH2 TRP A 92 -3.938 -12.730 2.120 1.00 42.11 C ATOM 0 H TRP A 92 -5.561 -10.915 -2.721 1.00 1.24 H new ATOM 0 HA TRP A 92 -2.902 -10.227 -2.467 1.00 31.24 H new ATOM 0 HB2 TRP A 92 -4.215 -12.339 -4.217 1.00 2.52 H new ATOM 0 HB3 TRP A 92 -2.561 -12.378 -3.639 1.00 2.52 H new ATOM 0 HD1 TRP A 92 -4.783 -14.602 -3.189 1.00 74.44 H new ATOM 0 HE1 TRP A 92 -5.124 -15.540 -0.824 1.00 35.22 H new ATOM 0 HE3 TRP A 92 -3.362 -10.507 -0.409 1.00 33.14 H new ATOM 0 HZ2 TRP A 92 -4.672 -14.741 1.846 1.00 5.30 H new ATOM 0 HZ3 TRP A 92 -3.344 -10.655 2.060 1.00 10.51 H new ATOM 0 HH2 TRP A 92 -3.867 -12.808 3.195 1.00 42.11 H new ATOM 1320 N LYS A 93 -3.871 -9.648 -5.542 1.00 63.35 N ATOM 1321 CA LYS A 93 -3.528 -8.856 -6.723 1.00 0.33 C ATOM 1322 C LYS A 93 -3.031 -7.468 -6.324 1.00 55.33 C ATOM 1323 O LYS A 93 -1.962 -7.070 -6.771 1.00 11.54 O ATOM 1324 CB LYS A 93 -4.739 -8.745 -7.660 1.00 34.33 C ATOM 1325 CG LYS A 93 -4.349 -8.129 -9.021 1.00 54.31 C ATOM 1326 CD LYS A 93 -5.523 -7.382 -9.657 1.00 54.31 C ATOM 1327 CE LYS A 93 -6.604 -8.335 -10.170 1.00 11.41 C ATOM 1328 NZ LYS A 93 -7.869 -7.630 -10.450 1.00 44.52 N ATOM 0 H LYS A 93 -4.817 -10.029 -5.570 1.00 63.35 H new ATOM 0 HA LYS A 93 -2.722 -9.364 -7.252 1.00 0.33 H new ATOM 0 HB2 LYS A 93 -5.170 -9.734 -7.817 1.00 34.33 H new ATOM 0 HB3 LYS A 93 -5.509 -8.133 -7.190 1.00 34.33 H new ATOM 0 HG2 LYS A 93 -3.512 -7.444 -8.885 1.00 54.31 H new ATOM 0 HG3 LYS A 93 -4.010 -8.917 -9.694 1.00 54.31 H new ATOM 0 HD2 LYS A 93 -5.958 -6.702 -8.925 1.00 54.31 H new ATOM 0 HD3 LYS A 93 -5.158 -6.771 -10.483 1.00 54.31 H new ATOM 0 HE2 LYS A 93 -6.254 -8.827 -11.077 1.00 11.41 H new ATOM 0 HE3 LYS A 93 -6.780 -9.117 -9.431 1.00 11.41 H new ATOM 0 HZ1 LYS A 93 -8.576 -8.310 -10.796 1.00 44.52 H new ATOM 0 HZ2 LYS A 93 -8.217 -7.182 -9.578 1.00 44.52 H new ATOM 0 HZ3 LYS A 93 -7.707 -6.901 -11.174 1.00 44.52 H new ATOM 1338 N VAL A 94 -3.795 -6.745 -5.500 1.00 3.30 N ATOM 1339 CA VAL A 94 -3.542 -5.337 -5.190 1.00 41.15 C ATOM 1340 C VAL A 94 -2.121 -5.168 -4.658 1.00 41.22 C ATOM 1341 O VAL A 94 -1.390 -4.288 -5.109 1.00 74.02 O ATOM 1342 CB VAL A 94 -4.595 -4.808 -4.187 1.00 21.40 C ATOM 1343 CG1 VAL A 94 -4.322 -3.393 -3.656 1.00 52.24 C ATOM 1344 CG2 VAL A 94 -5.992 -4.834 -4.818 1.00 71.24 C ATOM 0 H VAL A 94 -4.614 -7.125 -5.025 1.00 3.30 H new ATOM 0 HA VAL A 94 -3.632 -4.746 -6.101 1.00 41.15 H new ATOM 0 HB VAL A 94 -4.532 -5.481 -3.332 1.00 21.40 H new ATOM 0 HG11 VAL A 94 -5.111 -3.107 -2.961 1.00 52.24 H new ATOM 0 HG12 VAL A 94 -3.361 -3.377 -3.141 1.00 52.24 H new ATOM 0 HG13 VAL A 94 -4.300 -2.690 -4.489 1.00 52.24 H new ATOM 0 HG21 VAL A 94 -6.722 -4.459 -4.101 1.00 71.24 H new ATOM 0 HG22 VAL A 94 -6.001 -4.204 -5.708 1.00 71.24 H new ATOM 0 HG23 VAL A 94 -6.247 -5.857 -5.095 1.00 71.24 H new ATOM 1354 N LEU A 95 -1.731 -6.013 -3.698 1.00 33.11 N ATOM 1355 CA LEU A 95 -0.448 -5.897 -3.032 1.00 41.32 C ATOM 1356 C LEU A 95 0.676 -6.068 -4.063 1.00 12.20 C ATOM 1357 O LEU A 95 1.638 -5.302 -4.051 1.00 72.42 O ATOM 1358 CB LEU A 95 -0.320 -6.918 -1.884 1.00 34.32 C ATOM 1359 CG LEU A 95 -1.340 -6.781 -0.725 1.00 74.13 C ATOM 1360 CD1 LEU A 95 -2.683 -7.421 -1.040 1.00 20.34 C ATOM 1361 CD2 LEU A 95 -0.799 -7.441 0.547 1.00 3.42 C ATOM 0 H LEU A 95 -2.301 -6.792 -3.368 1.00 33.11 H new ATOM 0 HA LEU A 95 -0.368 -4.907 -2.584 1.00 41.32 H new ATOM 0 HB2 LEU A 95 -0.413 -7.919 -2.305 1.00 34.32 H new ATOM 0 HB3 LEU A 95 0.684 -6.840 -1.467 1.00 34.32 H new ATOM 0 HG LEU A 95 -1.486 -5.710 -0.583 1.00 74.13 H new ATOM 0 HD11 LEU A 95 -3.355 -7.293 -0.191 1.00 20.34 H new ATOM 0 HD12 LEU A 95 -3.115 -6.945 -1.920 1.00 20.34 H new ATOM 0 HD13 LEU A 95 -2.543 -8.484 -1.234 1.00 20.34 H new ATOM 0 HD21 LEU A 95 -1.528 -7.335 1.350 1.00 3.42 H new ATOM 0 HD22 LEU A 95 -0.617 -8.499 0.359 1.00 3.42 H new ATOM 0 HD23 LEU A 95 0.134 -6.959 0.838 1.00 3.42 H new ATOM 1372 N TYR A 96 0.540 -7.056 -4.955 1.00 4.52 N ATOM 1373 CA TYR A 96 1.510 -7.356 -6.005 1.00 20.03 C ATOM 1374 C TYR A 96 1.591 -6.207 -7.015 1.00 73.05 C ATOM 1375 O TYR A 96 2.686 -5.811 -7.406 1.00 14.23 O ATOM 1376 CB TYR A 96 1.121 -8.692 -6.676 1.00 1.50 C ATOM 1377 CG TYR A 96 2.212 -9.529 -7.342 1.00 4.11 C ATOM 1378 CD1 TYR A 96 3.510 -9.040 -7.603 1.00 43.45 C ATOM 1379 CD2 TYR A 96 1.914 -10.869 -7.670 1.00 33.03 C ATOM 1380 CE1 TYR A 96 4.467 -9.855 -8.233 1.00 0.41 C ATOM 1381 CE2 TYR A 96 2.880 -11.707 -8.253 1.00 54.15 C ATOM 1382 CZ TYR A 96 4.151 -11.186 -8.580 1.00 0.11 C ATOM 1383 OH TYR A 96 5.057 -11.963 -9.237 1.00 55.33 O ATOM 0 H TYR A 96 -0.266 -7.681 -4.964 1.00 4.52 H new ATOM 0 HA TYR A 96 2.505 -7.460 -5.573 1.00 20.03 H new ATOM 0 HB2 TYR A 96 0.644 -9.314 -5.919 1.00 1.50 H new ATOM 0 HB3 TYR A 96 0.366 -8.474 -7.431 1.00 1.50 H new ATOM 0 HD1 TYR A 96 3.770 -8.032 -7.317 1.00 43.45 H new ATOM 0 HD2 TYR A 96 0.926 -11.257 -7.469 1.00 33.03 H new ATOM 0 HE1 TYR A 96 5.448 -9.461 -8.452 1.00 0.41 H new ATOM 0 HE2 TYR A 96 2.651 -12.744 -8.450 1.00 54.15 H new ATOM 0 HH TYR A 96 4.673 -12.851 -9.395 1.00 55.33 H new ATOM 1392 N ASP A 97 0.456 -5.658 -7.446 1.00 0.53 N ATOM 1393 CA ASP A 97 0.390 -4.637 -8.498 1.00 2.11 C ATOM 1394 C ASP A 97 1.026 -3.331 -8.048 1.00 62.34 C ATOM 1395 O ASP A 97 1.825 -2.742 -8.776 1.00 63.01 O ATOM 1396 CB ASP A 97 -1.069 -4.391 -8.902 1.00 22.11 C ATOM 1397 CG ASP A 97 -1.251 -4.091 -10.388 1.00 20.14 C ATOM 1398 OD1 ASP A 97 -0.393 -3.434 -11.015 1.00 35.33 O ATOM 1399 OD2 ASP A 97 -2.230 -4.638 -10.949 1.00 63.14 O ATOM 0 H ASP A 97 -0.458 -5.912 -7.071 1.00 0.53 H new ATOM 0 HA ASP A 97 0.949 -5.008 -9.357 1.00 2.11 H new ATOM 0 HB2 ASP A 97 -1.662 -5.268 -8.642 1.00 22.11 H new ATOM 0 HB3 ASP A 97 -1.462 -3.557 -8.321 1.00 22.11 H new ATOM 1403 N LEU A 98 0.733 -2.917 -6.811 1.00 21.42 N ATOM 1404 CA LEU A 98 1.375 -1.773 -6.186 1.00 2.21 C ATOM 1405 C LEU A 98 2.878 -2.022 -6.120 1.00 42.24 C ATOM 1406 O LEU A 98 3.642 -1.198 -6.603 1.00 1.44 O ATOM 1407 CB LEU A 98 0.763 -1.509 -4.794 1.00 20.00 C ATOM 1408 CG LEU A 98 -0.696 -1.010 -4.839 1.00 51.25 C ATOM 1409 CD1 LEU A 98 -1.230 -0.787 -3.420 1.00 60.13 C ATOM 1410 CD2 LEU A 98 -0.861 0.291 -5.620 1.00 44.55 C ATOM 0 H LEU A 98 0.039 -3.373 -6.218 1.00 21.42 H new ATOM 0 HA LEU A 98 1.205 -0.875 -6.780 1.00 2.21 H new ATOM 0 HB2 LEU A 98 0.805 -2.428 -4.209 1.00 20.00 H new ATOM 0 HB3 LEU A 98 1.373 -0.771 -4.273 1.00 20.00 H new ATOM 0 HG LEU A 98 -1.261 -1.789 -5.351 1.00 51.25 H new ATOM 0 HD11 LEU A 98 -2.260 -0.435 -3.470 1.00 60.13 H new ATOM 0 HD12 LEU A 98 -1.193 -1.725 -2.866 1.00 60.13 H new ATOM 0 HD13 LEU A 98 -0.616 -0.042 -2.913 1.00 60.13 H new ATOM 0 HD21 LEU A 98 -1.910 0.588 -5.614 1.00 44.55 H new ATOM 0 HD22 LEU A 98 -0.260 1.073 -5.156 1.00 44.55 H new ATOM 0 HD23 LEU A 98 -0.532 0.142 -6.648 1.00 44.55 H new ATOM 1421 N ALA A 99 3.317 -3.160 -5.572 1.00 3.50 N ATOM 1422 CA ALA A 99 4.736 -3.491 -5.446 1.00 11.12 C ATOM 1423 C ALA A 99 5.451 -3.551 -6.799 1.00 42.21 C ATOM 1424 O ALA A 99 6.638 -3.224 -6.883 1.00 2.43 O ATOM 1425 CB ALA A 99 4.881 -4.828 -4.731 1.00 0.34 C ATOM 0 H ALA A 99 2.694 -3.878 -5.203 1.00 3.50 H new ATOM 0 HA ALA A 99 5.207 -2.695 -4.869 1.00 11.12 H new ATOM 0 HB1 ALA A 99 5.938 -5.077 -4.636 1.00 0.34 H new ATOM 0 HB2 ALA A 99 4.433 -4.761 -3.739 1.00 0.34 H new ATOM 0 HB3 ALA A 99 4.376 -5.604 -5.305 1.00 0.34 H new ATOM 1431 N SER A 100 4.743 -3.972 -7.846 1.00 15.14 N ATOM 1432 CA SER A 100 5.237 -4.057 -9.209 1.00 42.42 C ATOM 1433 C SER A 100 5.515 -2.687 -9.821 1.00 13.42 C ATOM 1434 O SER A 100 6.244 -2.625 -10.815 1.00 53.14 O ATOM 1435 CB SER A 100 4.193 -4.750 -10.089 1.00 15.23 C ATOM 1436 OG SER A 100 4.001 -6.102 -9.709 1.00 43.21 O ATOM 0 H SER A 100 3.773 -4.274 -7.759 1.00 15.14 H new ATOM 0 HA SER A 100 6.171 -4.617 -9.168 1.00 42.42 H new ATOM 0 HB2 SER A 100 3.246 -4.215 -10.020 1.00 15.23 H new ATOM 0 HB3 SER A 100 4.509 -4.706 -11.131 1.00 15.23 H new ATOM 0 HG SER A 100 3.349 -6.147 -8.979 1.00 43.21 H new ATOM 1441 N ASN A 101 4.903 -1.630 -9.282 1.00 4.41 N ATOM 1442 CA ASN A 101 4.869 -0.307 -9.894 1.00 64.21 C ATOM 1443 C ASN A 101 5.050 0.809 -8.855 1.00 15.24 C ATOM 1444 O ASN A 101 4.541 1.911 -9.047 1.00 32.24 O ATOM 1445 CB ASN A 101 3.562 -0.136 -10.684 1.00 74.43 C ATOM 1446 CG ASN A 101 3.379 -1.176 -11.781 1.00 21.41 C ATOM 1447 OD1 ASN A 101 4.033 -1.124 -12.825 1.00 64.44 O ATOM 1448 ND2 ASN A 101 2.527 -2.161 -11.549 1.00 11.21 N ATOM 0 H ASN A 101 4.409 -1.674 -8.391 1.00 4.41 H new ATOM 0 HA ASN A 101 5.709 -0.225 -10.584 1.00 64.21 H new ATOM 0 HB2 ASN A 101 2.719 -0.193 -9.995 1.00 74.43 H new ATOM 0 HB3 ASN A 101 3.543 0.859 -11.129 1.00 74.43 H new ATOM 0 HD21 ASN A 101 2.400 -2.899 -12.241 1.00 11.21 H new ATOM 0 HD22 ASN A 101 1.997 -2.182 -10.678 1.00 11.21 H new ATOM 1454 N GLN A 102 5.738 0.549 -7.738 1.00 51.14 N ATOM 1455 CA GLN A 102 5.689 1.405 -6.552 1.00 51.32 C ATOM 1456 C GLN A 102 6.543 2.663 -6.701 1.00 22.10 C ATOM 1457 O GLN A 102 6.559 3.489 -5.792 1.00 41.42 O ATOM 1458 CB GLN A 102 6.093 0.612 -5.290 1.00 3.30 C ATOM 1459 CG GLN A 102 7.558 0.144 -5.214 1.00 72.04 C ATOM 1460 CD GLN A 102 7.819 -0.635 -3.921 1.00 40.23 C ATOM 1461 OE1 GLN A 102 8.007 -0.075 -2.845 1.00 14.52 O ATOM 1462 NE2 GLN A 102 7.827 -1.956 -3.957 1.00 33.02 N ATOM 0 H GLN A 102 6.345 -0.264 -7.633 1.00 51.14 H new ATOM 0 HA GLN A 102 4.657 1.737 -6.442 1.00 51.32 H new ATOM 0 HB2 GLN A 102 5.887 1.231 -4.417 1.00 3.30 H new ATOM 0 HB3 GLN A 102 5.450 -0.265 -5.218 1.00 3.30 H new ATOM 0 HG2 GLN A 102 7.788 -0.485 -6.074 1.00 72.04 H new ATOM 0 HG3 GLN A 102 8.222 1.007 -5.263 1.00 72.04 H new ATOM 0 HE21 GLN A 102 7.673 -2.443 -4.840 1.00 33.02 H new ATOM 0 HE22 GLN A 102 7.987 -2.489 -3.102 1.00 33.02 H new ATOM 1469 N VAL A 103 7.271 2.787 -7.806 1.00 3.50 N ATOM 1470 CA VAL A 103 8.202 3.863 -8.067 1.00 34.03 C ATOM 1471 C VAL A 103 7.565 4.755 -9.117 1.00 44.13 C ATOM 1472 O VAL A 103 7.426 5.952 -8.897 1.00 75.45 O ATOM 1473 CB VAL A 103 9.540 3.275 -8.543 1.00 32.23 C ATOM 1474 CG1 VAL A 103 10.596 4.365 -8.630 1.00 3.33 C ATOM 1475 CG2 VAL A 103 10.054 2.163 -7.632 1.00 51.22 C ATOM 0 H VAL A 103 7.222 2.112 -8.569 1.00 3.50 H new ATOM 0 HA VAL A 103 8.412 4.450 -7.173 1.00 34.03 H new ATOM 0 HB VAL A 103 9.354 2.845 -9.527 1.00 32.23 H new ATOM 0 HG11 VAL A 103 11.538 3.933 -8.968 1.00 3.33 H new ATOM 0 HG12 VAL A 103 10.273 5.129 -9.337 1.00 3.33 H new ATOM 0 HG13 VAL A 103 10.736 4.815 -7.647 1.00 3.33 H new ATOM 0 HG21 VAL A 103 11.001 1.786 -8.017 1.00 51.22 H new ATOM 0 HG22 VAL A 103 10.202 2.556 -6.626 1.00 51.22 H new ATOM 0 HG23 VAL A 103 9.326 1.352 -7.601 1.00 51.22 H new ATOM 1485 N ASP A 104 7.163 4.166 -10.246 1.00 43.42 N ATOM 1486 CA ASP A 104 6.559 4.881 -11.358 1.00 54.14 C ATOM 1487 C ASP A 104 5.276 5.570 -10.906 1.00 11.13 C ATOM 1488 O ASP A 104 5.097 6.763 -11.161 1.00 53.45 O ATOM 1489 CB ASP A 104 6.237 3.919 -12.515 1.00 4.54 C ATOM 1490 CG ASP A 104 5.275 4.570 -13.514 1.00 22.30 C ATOM 1491 OD1 ASP A 104 5.744 5.310 -14.406 1.00 34.33 O ATOM 1492 OD2 ASP A 104 4.048 4.402 -13.382 1.00 32.22 O ATOM 0 H ASP A 104 7.252 3.163 -10.409 1.00 43.42 H new ATOM 0 HA ASP A 104 7.272 5.628 -11.706 1.00 54.14 H new ATOM 0 HB2 ASP A 104 7.158 3.634 -13.024 1.00 4.54 H new ATOM 0 HB3 ASP A 104 5.794 3.004 -12.121 1.00 4.54 H new ATOM 1496 N LEU A 105 4.404 4.818 -10.219 1.00 74.21 N ATOM 1497 CA LEU A 105 3.139 5.336 -9.727 1.00 74.22 C ATOM 1498 C LEU A 105 3.413 6.450 -8.724 1.00 1.20 C ATOM 1499 O LEU A 105 2.769 7.496 -8.809 1.00 40.13 O ATOM 1500 CB LEU A 105 2.296 4.211 -9.095 1.00 60.24 C ATOM 1501 CG LEU A 105 1.694 3.221 -10.117 1.00 4.40 C ATOM 1502 CD1 LEU A 105 1.015 2.054 -9.379 1.00 0.34 C ATOM 1503 CD2 LEU A 105 0.690 3.899 -11.060 1.00 41.22 C ATOM 0 H LEU A 105 4.564 3.836 -9.994 1.00 74.21 H new ATOM 0 HA LEU A 105 2.564 5.742 -10.560 1.00 74.22 H new ATOM 0 HB2 LEU A 105 2.918 3.657 -8.392 1.00 60.24 H new ATOM 0 HB3 LEU A 105 1.486 4.659 -8.519 1.00 60.24 H new ATOM 0 HG LEU A 105 2.514 2.845 -10.729 1.00 4.40 H new ATOM 0 HD11 LEU A 105 0.593 1.360 -10.106 1.00 0.34 H new ATOM 0 HD12 LEU A 105 1.751 1.534 -8.766 1.00 0.34 H new ATOM 0 HD13 LEU A 105 0.220 2.440 -8.742 1.00 0.34 H new ATOM 0 HD21 LEU A 105 0.294 3.163 -11.760 1.00 41.22 H new ATOM 0 HD22 LEU A 105 -0.128 4.322 -10.477 1.00 41.22 H new ATOM 0 HD23 LEU A 105 1.190 4.694 -11.613 1.00 41.22 H new ATOM 1514 N TRP A 106 4.374 6.226 -7.817 1.00 1.13 N ATOM 1515 CA TRP A 106 4.787 7.200 -6.822 1.00 13.44 C ATOM 1516 C TRP A 106 5.203 8.493 -7.494 1.00 4.31 C ATOM 1517 O TRP A 106 4.606 9.507 -7.175 1.00 63.42 O ATOM 1518 CB TRP A 106 5.852 6.638 -5.868 1.00 22.00 C ATOM 1519 CG TRP A 106 6.229 7.594 -4.777 1.00 74.03 C ATOM 1520 CD1 TRP A 106 7.478 8.010 -4.468 1.00 13.31 C ATOM 1521 CD2 TRP A 106 5.332 8.310 -3.880 1.00 33.04 C ATOM 1522 NE1 TRP A 106 7.401 8.981 -3.481 1.00 43.45 N ATOM 1523 CE2 TRP A 106 6.098 9.223 -3.104 1.00 14.21 C ATOM 1524 CE3 TRP A 106 3.944 8.281 -3.646 1.00 34.40 C ATOM 1525 CZ2 TRP A 106 5.506 10.111 -2.190 1.00 24.12 C ATOM 1526 CZ3 TRP A 106 3.346 9.126 -2.702 1.00 12.51 C ATOM 1527 CH2 TRP A 106 4.121 10.041 -1.974 1.00 64.15 C ATOM 0 H TRP A 106 4.888 5.347 -7.761 1.00 1.13 H new ATOM 0 HA TRP A 106 3.932 7.429 -6.187 1.00 13.44 H new ATOM 0 HB2 TRP A 106 5.481 5.715 -5.422 1.00 22.00 H new ATOM 0 HB3 TRP A 106 6.743 6.379 -6.440 1.00 22.00 H new ATOM 0 HD1 TRP A 106 8.389 7.645 -4.918 1.00 13.31 H new ATOM 0 HE1 TRP A 106 8.210 9.458 -3.083 1.00 43.45 H new ATOM 0 HE3 TRP A 106 3.328 7.593 -4.206 1.00 34.40 H new ATOM 0 HZ2 TRP A 106 6.107 10.836 -1.662 1.00 24.12 H new ATOM 0 HZ3 TRP A 106 2.281 9.073 -2.534 1.00 12.51 H new ATOM 0 HH2 TRP A 106 3.653 10.690 -1.249 1.00 64.15 H new ATOM 1537 N GLU A 107 6.152 8.484 -8.427 1.00 42.55 N ATOM 1538 CA GLU A 107 6.694 9.662 -9.116 1.00 15.31 C ATOM 1539 C GLU A 107 5.611 10.630 -9.590 1.00 15.24 C ATOM 1540 O GLU A 107 5.662 11.836 -9.347 1.00 15.52 O ATOM 1541 CB GLU A 107 7.515 9.171 -10.319 1.00 32.30 C ATOM 1542 CG GLU A 107 8.915 9.796 -10.363 1.00 33.21 C ATOM 1543 CD GLU A 107 9.151 10.682 -11.582 1.00 11.54 C ATOM 1544 OE1 GLU A 107 9.557 10.156 -12.644 1.00 22.10 O ATOM 1545 OE2 GLU A 107 8.996 11.921 -11.453 1.00 54.41 O ATOM 0 H GLU A 107 6.587 7.617 -8.741 1.00 42.55 H new ATOM 0 HA GLU A 107 7.311 10.216 -8.408 1.00 15.31 H new ATOM 0 HB2 GLU A 107 7.605 8.086 -10.276 1.00 32.30 H new ATOM 0 HB3 GLU A 107 6.984 9.410 -11.240 1.00 32.30 H new ATOM 0 HG2 GLU A 107 9.068 10.387 -9.460 1.00 33.21 H new ATOM 0 HG3 GLU A 107 9.659 9.000 -10.353 1.00 33.21 H new ATOM 1550 N ASN A 108 4.593 10.081 -10.238 1.00 74.22 N ATOM 1551 CA ASN A 108 3.423 10.818 -10.683 1.00 40.25 C ATOM 1552 C ASN A 108 2.671 11.574 -9.559 1.00 63.23 C ATOM 1553 O ASN A 108 2.061 12.608 -9.836 1.00 22.32 O ATOM 1554 CB ASN A 108 2.565 9.875 -11.557 1.00 23.24 C ATOM 1555 CG ASN A 108 1.115 9.942 -11.157 1.00 21.13 C ATOM 1556 OD1 ASN A 108 0.286 10.584 -11.787 1.00 15.41 O ATOM 1557 ND2 ASN A 108 0.837 9.301 -10.047 1.00 71.15 N ATOM 0 H ASN A 108 4.559 9.089 -10.473 1.00 74.22 H new ATOM 0 HA ASN A 108 3.736 11.657 -11.305 1.00 40.25 H new ATOM 0 HB2 ASN A 108 2.670 10.150 -12.607 1.00 23.24 H new ATOM 0 HB3 ASN A 108 2.927 8.852 -11.458 1.00 23.24 H new ATOM 0 HD21 ASN A 108 -0.110 9.323 -9.669 1.00 71.15 H new ATOM 0 HD22 ASN A 108 1.568 8.781 -9.562 1.00 71.15 H new ATOM 1563 N TYR A 109 2.727 11.137 -8.295 1.00 23.43 N ATOM 1564 CA TYR A 109 2.065 11.832 -7.196 1.00 51.23 C ATOM 1565 C TYR A 109 2.784 13.147 -6.962 1.00 21.12 C ATOM 1566 O TYR A 109 2.140 14.185 -6.791 1.00 34.42 O ATOM 1567 CB TYR A 109 2.072 11.033 -5.877 1.00 52.54 C ATOM 1568 CG TYR A 109 0.980 9.992 -5.756 1.00 54.25 C ATOM 1569 CD1 TYR A 109 1.187 8.712 -6.291 1.00 54.21 C ATOM 1570 CD2 TYR A 109 -0.247 10.293 -5.133 1.00 61.23 C ATOM 1571 CE1 TYR A 109 0.179 7.735 -6.248 1.00 42.11 C ATOM 1572 CE2 TYR A 109 -1.258 9.318 -5.075 1.00 43.41 C ATOM 1573 CZ TYR A 109 -1.063 8.046 -5.653 1.00 44.51 C ATOM 1574 OH TYR A 109 -2.087 7.151 -5.642 1.00 4.23 O ATOM 0 H TYR A 109 3.230 10.296 -8.011 1.00 23.43 H new ATOM 0 HA TYR A 109 1.023 11.975 -7.483 1.00 51.23 H new ATOM 0 HB2 TYR A 109 3.038 10.539 -5.774 1.00 52.54 H new ATOM 0 HB3 TYR A 109 1.981 11.732 -5.045 1.00 52.54 H new ATOM 0 HD1 TYR A 109 2.138 8.474 -6.744 1.00 54.21 H new ATOM 0 HD2 TYR A 109 -0.410 11.269 -4.701 1.00 61.23 H new ATOM 0 HE1 TYR A 109 0.352 6.755 -6.666 1.00 42.11 H new ATOM 0 HE2 TYR A 109 -2.193 9.545 -4.583 1.00 43.41 H new ATOM 0 HH TYR A 109 -1.738 6.253 -5.821 1.00 4.23 H new ATOM 1583 N LEU A 110 4.115 13.102 -6.947 1.00 72.14 N ATOM 1584 CA LEU A 110 4.979 14.230 -6.641 1.00 75.34 C ATOM 1585 C LEU A 110 4.709 15.383 -7.614 1.00 40.44 C ATOM 1586 O LEU A 110 4.628 16.541 -7.188 1.00 3.54 O ATOM 1587 CB LEU A 110 6.449 13.776 -6.693 1.00 62.43 C ATOM 1588 CG LEU A 110 6.894 12.722 -5.664 1.00 15.51 C ATOM 1589 CD1 LEU A 110 6.666 13.106 -4.204 1.00 35.02 C ATOM 1590 CD2 LEU A 110 6.264 11.371 -5.849 1.00 61.13 C ATOM 0 H LEU A 110 4.634 12.249 -7.155 1.00 72.14 H new ATOM 0 HA LEU A 110 4.768 14.594 -5.636 1.00 75.34 H new ATOM 0 HB2 LEU A 110 6.646 13.380 -7.689 1.00 62.43 H new ATOM 0 HB3 LEU A 110 7.080 14.657 -6.570 1.00 62.43 H new ATOM 0 HG LEU A 110 7.964 12.676 -5.869 1.00 15.51 H new ATOM 0 HD11 LEU A 110 7.012 12.299 -3.557 1.00 35.02 H new ATOM 0 HD12 LEU A 110 7.220 14.016 -3.976 1.00 35.02 H new ATOM 0 HD13 LEU A 110 5.603 13.277 -4.034 1.00 35.02 H new ATOM 0 HD21 LEU A 110 6.633 10.690 -5.082 1.00 61.13 H new ATOM 0 HD22 LEU A 110 5.181 11.460 -5.765 1.00 61.13 H new ATOM 0 HD23 LEU A 110 6.521 10.982 -6.834 1.00 61.13 H new ATOM 1601 N ALA A 111 4.487 15.055 -8.892 1.00 11.30 N ATOM 1602 CA ALA A 111 4.061 15.976 -9.937 1.00 33.04 C ATOM 1603 C ALA A 111 2.726 16.640 -9.584 1.00 12.31 C ATOM 1604 O ALA A 111 2.660 17.870 -9.449 1.00 55.53 O ATOM 1605 CB ALA A 111 3.967 15.232 -11.275 1.00 20.32 C ATOM 0 H ALA A 111 4.606 14.101 -9.234 1.00 11.30 H new ATOM 0 HA ALA A 111 4.803 16.769 -10.025 1.00 33.04 H new ATOM 0 HB1 ALA A 111 3.648 15.924 -12.054 1.00 20.32 H new ATOM 0 HB2 ALA A 111 4.943 14.821 -11.532 1.00 20.32 H new ATOM 0 HB3 ALA A 111 3.243 14.422 -11.191 1.00 20.32 H new ATOM 1611 N ARG A 112 1.671 15.829 -9.413 1.00 74.42 N ATOM 1612 CA ARG A 112 0.293 16.283 -9.172 1.00 42.33 C ATOM 1613 C ARG A 112 0.232 17.147 -7.912 1.00 4.23 C ATOM 1614 O ARG A 112 -0.416 18.192 -7.892 1.00 1.50 O ATOM 1615 CB ARG A 112 -0.667 15.078 -9.016 1.00 75.42 C ATOM 1616 CG ARG A 112 -0.620 13.987 -10.109 1.00 1.44 C ATOM 1617 CD ARG A 112 -1.838 13.911 -11.039 1.00 42.32 C ATOM 1618 NE ARG A 112 -2.162 15.177 -11.724 1.00 23.02 N ATOM 1619 CZ ARG A 112 -1.373 15.911 -12.515 1.00 31.13 C ATOM 1620 NH1 ARG A 112 -0.124 15.570 -12.795 1.00 34.31 N ATOM 1621 NH2 ARG A 112 -1.881 17.003 -13.071 1.00 22.34 N ATOM 0 H ARG A 112 1.755 14.813 -9.439 1.00 74.42 H new ATOM 0 HA ARG A 112 -0.021 16.873 -10.033 1.00 42.33 H new ATOM 0 HB2 ARG A 112 -0.459 14.603 -8.057 1.00 75.42 H new ATOM 0 HB3 ARG A 112 -1.686 15.463 -8.967 1.00 75.42 H new ATOM 0 HG2 ARG A 112 0.268 14.151 -10.719 1.00 1.44 H new ATOM 0 HG3 ARG A 112 -0.499 13.019 -9.623 1.00 1.44 H new ATOM 0 HD2 ARG A 112 -1.659 13.141 -11.790 1.00 42.32 H new ATOM 0 HD3 ARG A 112 -2.704 13.594 -10.458 1.00 42.32 H new ATOM 0 HE ARG A 112 -3.105 15.537 -11.576 1.00 23.02 H new ATOM 0 HH11 ARG A 112 0.272 14.716 -12.402 1.00 34.31 H new ATOM 0 HH12 ARG A 112 0.442 16.161 -13.404 1.00 34.31 H new ATOM 0 HH21 ARG A 112 -2.851 17.263 -12.890 1.00 22.34 H new ATOM 0 HH22 ARG A 112 -1.302 17.582 -13.679 1.00 22.34 H new ATOM 1632 N LEU A 113 0.953 16.740 -6.867 1.00 15.40 N ATOM 1633 CA LEU A 113 1.091 17.414 -5.588 1.00 44.54 C ATOM 1634 C LEU A 113 1.589 18.831 -5.817 1.00 3.54 C ATOM 1635 O LEU A 113 0.989 19.782 -5.317 1.00 54.15 O ATOM 1636 CB LEU A 113 2.039 16.579 -4.711 1.00 22.34 C ATOM 1637 CG LEU A 113 2.535 17.188 -3.389 1.00 13.33 C ATOM 1638 CD1 LEU A 113 3.586 18.276 -3.580 1.00 14.24 C ATOM 1639 CD2 LEU A 113 1.396 17.738 -2.534 1.00 41.55 C ATOM 0 H LEU A 113 1.489 15.873 -6.900 1.00 15.40 H new ATOM 0 HA LEU A 113 0.136 17.498 -5.069 1.00 44.54 H new ATOM 0 HB2 LEU A 113 1.535 15.641 -4.477 1.00 22.34 H new ATOM 0 HB3 LEU A 113 2.914 16.330 -5.311 1.00 22.34 H new ATOM 0 HG LEU A 113 3.002 16.354 -2.866 1.00 13.33 H new ATOM 0 HD11 LEU A 113 3.891 18.662 -2.607 1.00 14.24 H new ATOM 0 HD12 LEU A 113 4.452 17.859 -4.093 1.00 14.24 H new ATOM 0 HD13 LEU A 113 3.167 19.086 -4.176 1.00 14.24 H new ATOM 0 HD21 LEU A 113 1.802 18.156 -1.613 1.00 41.55 H new ATOM 0 HD22 LEU A 113 0.871 18.518 -3.086 1.00 41.55 H new ATOM 0 HD23 LEU A 113 0.701 16.934 -2.292 1.00 41.55 H new ATOM 1650 N ARG A 114 2.671 19.010 -6.577 1.00 23.13 N ATOM 1651 CA ARG A 114 3.217 20.346 -6.788 1.00 2.23 C ATOM 1652 C ARG A 114 2.313 21.226 -7.641 1.00 24.21 C ATOM 1653 O ARG A 114 2.403 22.449 -7.521 1.00 54.11 O ATOM 1654 CB ARG A 114 4.628 20.256 -7.375 1.00 14.33 C ATOM 1655 CG ARG A 114 5.682 20.164 -6.255 1.00 63.31 C ATOM 1656 CD ARG A 114 6.807 19.152 -6.506 1.00 31.31 C ATOM 1657 NE ARG A 114 8.149 19.754 -6.520 1.00 34.41 N ATOM 1658 CZ ARG A 114 8.898 20.064 -5.453 1.00 63.02 C ATOM 1659 NH1 ARG A 114 8.389 20.159 -4.225 1.00 63.41 N ATOM 1660 NH2 ARG A 114 10.192 20.286 -5.618 1.00 4.13 N ATOM 0 H ARG A 114 3.177 18.260 -7.048 1.00 23.13 H new ATOM 0 HA ARG A 114 3.273 20.830 -5.813 1.00 2.23 H new ATOM 0 HB2 ARG A 114 4.702 19.383 -8.023 1.00 14.33 H new ATOM 0 HB3 ARG A 114 4.825 21.130 -7.995 1.00 14.33 H new ATOM 0 HG2 ARG A 114 6.125 21.149 -6.112 1.00 63.31 H new ATOM 0 HG3 ARG A 114 5.179 19.902 -5.324 1.00 63.31 H new ATOM 0 HD2 ARG A 114 6.771 18.383 -5.734 1.00 31.31 H new ATOM 0 HD3 ARG A 114 6.631 18.655 -7.460 1.00 31.31 H new ATOM 0 HE ARG A 114 8.551 19.956 -7.436 1.00 34.41 H new ATOM 0 HH11 ARG A 114 7.394 19.993 -4.071 1.00 63.41 H new ATOM 0 HH12 ARG A 114 8.994 20.397 -3.439 1.00 63.41 H new ATOM 0 HH21 ARG A 114 10.606 20.220 -6.548 1.00 4.13 H new ATOM 0 HH22 ARG A 114 10.775 20.523 -4.815 1.00 4.13 H new ATOM 1671 N ALA A 115 1.421 20.652 -8.449 1.00 61.32 N ATOM 1672 CA ALA A 115 0.363 21.414 -9.097 1.00 52.24 C ATOM 1673 C ALA A 115 -0.721 21.817 -8.086 1.00 71.22 C ATOM 1674 O ALA A 115 -1.411 22.814 -8.294 1.00 73.24 O ATOM 1675 CB ALA A 115 -0.242 20.597 -10.245 1.00 24.21 C ATOM 0 H ALA A 115 1.414 19.656 -8.669 1.00 61.32 H new ATOM 0 HA ALA A 115 0.793 22.328 -9.505 1.00 52.24 H new ATOM 0 HB1 ALA A 115 -1.033 21.174 -10.725 1.00 24.21 H new ATOM 0 HB2 ALA A 115 0.533 20.367 -10.976 1.00 24.21 H new ATOM 0 HB3 ALA A 115 -0.657 19.669 -9.852 1.00 24.21 H new ATOM 1681 N ALA A 116 -0.873 21.062 -6.995 1.00 43.11 N ATOM 1682 CA ALA A 116 -1.931 21.196 -5.991 1.00 3.25 C ATOM 1683 C ALA A 116 -1.503 22.008 -4.762 1.00 74.00 C ATOM 1684 O ALA A 116 -2.342 22.337 -3.925 1.00 23.14 O ATOM 1685 CB ALA A 116 -2.395 19.800 -5.547 1.00 31.03 C ATOM 0 H ALA A 116 -0.228 20.302 -6.777 1.00 43.11 H new ATOM 0 HA ALA A 116 -2.746 21.745 -6.463 1.00 3.25 H new ATOM 0 HB1 ALA A 116 -3.182 19.899 -4.800 1.00 31.03 H new ATOM 0 HB2 ALA A 116 -2.779 19.253 -6.408 1.00 31.03 H new ATOM 0 HB3 ALA A 116 -1.553 19.256 -5.118 1.00 31.03 H new ATOM 1691 N LYS A 117 -0.217 22.353 -4.659 1.00 22.11 N ATOM 1692 CA LYS A 117 0.376 23.119 -3.563 1.00 73.44 C ATOM 1693 C LYS A 117 -0.004 22.542 -2.194 1.00 4.32 C ATOM 1694 O LYS A 117 -0.368 23.296 -1.288 1.00 44.52 O ATOM 1695 CB LYS A 117 0.040 24.622 -3.670 1.00 74.24 C ATOM 1696 CG LYS A 117 0.319 25.285 -5.029 1.00 41.44 C ATOM 1697 CD LYS A 117 -0.932 25.264 -5.918 1.00 24.13 C ATOM 1698 CE LYS A 117 -0.694 25.968 -7.252 1.00 0.14 C ATOM 1699 NZ LYS A 117 -1.785 25.668 -8.204 1.00 60.44 N ATOM 0 H LYS A 117 0.468 22.094 -5.369 1.00 22.11 H new ATOM 0 HA LYS A 117 1.458 23.028 -3.655 1.00 73.44 H new ATOM 0 HB2 LYS A 117 -1.016 24.755 -3.435 1.00 74.24 H new ATOM 0 HB3 LYS A 117 0.606 25.155 -2.906 1.00 74.24 H new ATOM 0 HG2 LYS A 117 0.643 26.314 -4.876 1.00 41.44 H new ATOM 0 HG3 LYS A 117 1.135 24.765 -5.531 1.00 41.44 H new ATOM 0 HD2 LYS A 117 -1.231 24.232 -6.100 1.00 24.13 H new ATOM 0 HD3 LYS A 117 -1.757 25.747 -5.395 1.00 24.13 H new ATOM 0 HE2 LYS A 117 -0.628 27.044 -7.094 1.00 0.14 H new ATOM 0 HE3 LYS A 117 0.260 25.649 -7.672 1.00 0.14 H new ATOM 0 HZ1 LYS A 117 -1.622 26.183 -9.093 1.00 60.44 H new ATOM 0 HZ2 LYS A 117 -1.808 24.646 -8.395 1.00 60.44 H new ATOM 0 HZ3 LYS A 117 -2.694 25.964 -7.795 1.00 60.44 H new ATOM 1709 N ALA A 118 0.006 21.214 -2.068 1.00 75.45 N ATOM 1710 CA ALA A 118 -0.634 20.517 -0.964 1.00 4.23 C ATOM 1711 C ALA A 118 0.374 19.949 0.040 1.00 43.12 C ATOM 1712 O ALA A 118 1.588 20.066 -0.146 1.00 60.03 O ATOM 1713 CB ALA A 118 -1.576 19.449 -1.534 1.00 63.45 C ATOM 0 H ALA A 118 0.463 20.593 -2.736 1.00 75.45 H new ATOM 0 HA ALA A 118 -1.222 21.231 -0.387 1.00 4.23 H new ATOM 0 HB1 ALA A 118 -2.063 18.919 -0.715 1.00 63.45 H new ATOM 0 HB2 ALA A 118 -2.332 19.926 -2.158 1.00 63.45 H new ATOM 0 HB3 ALA A 118 -1.004 18.742 -2.135 1.00 63.45 H new ATOM 1719 N SER A 119 -0.142 19.328 1.102 1.00 22.22 N ATOM 1720 CA SER A 119 0.582 18.808 2.259 1.00 62.43 C ATOM 1721 C SER A 119 1.629 17.748 1.871 1.00 13.51 C ATOM 1722 O SER A 119 1.306 16.587 1.620 1.00 71.33 O ATOM 1723 CB SER A 119 -0.408 18.288 3.316 1.00 55.54 C ATOM 1724 OG SER A 119 -1.650 18.974 3.254 1.00 20.21 O ATOM 0 H SER A 119 -1.146 19.165 1.180 1.00 22.22 H new ATOM 0 HA SER A 119 1.146 19.631 2.698 1.00 62.43 H new ATOM 0 HB2 SER A 119 -0.574 17.221 3.166 1.00 55.54 H new ATOM 0 HB3 SER A 119 0.024 18.407 4.309 1.00 55.54 H new ATOM 0 HG SER A 119 -2.255 18.617 3.937 1.00 20.21 H new ATOM 1729 N ARG A 120 2.901 18.134 1.810 1.00 42.32 N ATOM 1730 CA ARG A 120 3.999 17.287 1.348 1.00 53.13 C ATOM 1731 C ARG A 120 4.807 16.784 2.532 1.00 14.12 C ATOM 1732 O ARG A 120 6.003 17.045 2.661 1.00 74.05 O ATOM 1733 CB ARG A 120 4.767 17.976 0.213 1.00 12.54 C ATOM 1734 CG ARG A 120 5.215 19.439 0.395 1.00 64.15 C ATOM 1735 CD ARG A 120 6.516 19.593 1.186 1.00 55.52 C ATOM 1736 NE ARG A 120 7.065 20.951 1.084 1.00 0.31 N ATOM 1737 CZ ARG A 120 6.651 22.002 1.797 1.00 53.51 C ATOM 1738 NH1 ARG A 120 5.786 21.868 2.797 1.00 63.34 N ATOM 1739 NH2 ARG A 120 7.079 23.215 1.497 1.00 1.11 N ATOM 0 H ARG A 120 3.205 19.067 2.087 1.00 42.32 H new ATOM 0 HA ARG A 120 3.630 16.373 0.882 1.00 53.13 H new ATOM 0 HB2 ARG A 120 5.658 17.382 0.010 1.00 12.54 H new ATOM 0 HB3 ARG A 120 4.144 17.931 -0.680 1.00 12.54 H new ATOM 0 HG2 ARG A 120 5.342 19.895 -0.587 1.00 64.15 H new ATOM 0 HG3 ARG A 120 4.424 19.991 0.903 1.00 64.15 H new ATOM 0 HD2 ARG A 120 6.334 19.354 2.234 1.00 55.52 H new ATOM 0 HD3 ARG A 120 7.251 18.877 0.818 1.00 55.52 H new ATOM 0 HE ARG A 120 7.821 21.104 0.417 1.00 0.31 H new ATOM 0 HH11 ARG A 120 5.422 20.946 3.036 1.00 63.34 H new ATOM 0 HH12 ARG A 120 5.486 22.687 3.325 1.00 63.34 H new ATOM 0 HH21 ARG A 120 7.726 23.350 0.720 1.00 1.11 H new ATOM 0 HH22 ARG A 120 6.762 24.017 2.042 1.00 1.11 H new ATOM 1750 N GLU A 121 4.117 16.064 3.406 1.00 44.22 N ATOM 1751 CA GLU A 121 4.600 15.468 4.651 1.00 71.02 C ATOM 1752 C GLU A 121 5.857 14.605 4.406 1.00 24.34 C ATOM 1753 O GLU A 121 6.188 14.289 3.259 1.00 62.22 O ATOM 1754 CB GLU A 121 3.437 14.684 5.305 1.00 1.51 C ATOM 1755 CG GLU A 121 2.074 15.392 5.329 1.00 42.21 C ATOM 1756 CD GLU A 121 2.147 16.874 5.725 1.00 35.43 C ATOM 1757 OE1 GLU A 121 2.338 17.750 4.851 1.00 21.11 O ATOM 1758 OE2 GLU A 121 2.019 17.194 6.928 1.00 62.22 O ATOM 0 H GLU A 121 3.128 15.864 3.254 1.00 44.22 H new ATOM 0 HA GLU A 121 4.917 16.246 5.346 1.00 71.02 H new ATOM 0 HB2 GLU A 121 3.322 13.737 4.778 1.00 1.51 H new ATOM 0 HB3 GLU A 121 3.718 14.446 6.331 1.00 1.51 H new ATOM 0 HG2 GLU A 121 1.617 15.312 4.343 1.00 42.21 H new ATOM 0 HG3 GLU A 121 1.418 14.872 6.027 1.00 42.21 H new ATOM 1763 N PRO A 122 6.615 14.245 5.451 1.00 34.02 N ATOM 1764 CA PRO A 122 7.769 13.377 5.285 1.00 41.55 C ATOM 1765 C PRO A 122 7.305 11.974 4.893 1.00 74.01 C ATOM 1766 O PRO A 122 6.243 11.538 5.314 1.00 40.42 O ATOM 1767 CB PRO A 122 8.496 13.400 6.632 1.00 0.24 C ATOM 1768 CG PRO A 122 7.413 13.774 7.640 1.00 14.31 C ATOM 1769 CD PRO A 122 6.401 14.589 6.844 1.00 61.42 C ATOM 0 HA PRO A 122 8.439 13.706 4.491 1.00 41.55 H new ATOM 0 HB2 PRO A 122 8.936 12.430 6.863 1.00 0.24 H new ATOM 0 HB3 PRO A 122 9.308 14.127 6.633 1.00 0.24 H new ATOM 0 HG2 PRO A 122 6.952 12.886 8.073 1.00 14.31 H new ATOM 0 HG3 PRO A 122 7.825 14.354 8.466 1.00 14.31 H new ATOM 0 HD2 PRO A 122 5.382 14.353 7.152 1.00 61.42 H new ATOM 0 HD3 PRO A 122 6.545 15.657 7.008 1.00 61.42 H new