USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 552 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 SER OG : rot -111:sc= 0.0469 USER MOD Set 1.2: A 57 THR OG1 : rot 180:sc= 0.0914 USER MOD Set 2.1: A 6 CYS SG : rot -136:sc= -1.45! USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 2 THR OG1 : rot 27:sc= 0.235 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0.655 K(o=0.66,f=-1.5) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -143:sc= 1.1 (180deg=0.274) USER MOD Single : A 24 THR OG1 : rot -110:sc= 1.26 USER MOD Single : A 26 TYR OH : rot -30:sc= -0.211 USER MOD Single : A 27 GLN : amide:sc= -1.23 K(o=-1.2,f=-2.1) USER MOD Single : A 29 MET CE :methyl -159:sc= -2.83! (180deg=-3.63!) USER MOD Single : A 32 THR OG1 : rot -85:sc= -0.253 USER MOD Single : A 33 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.016) USER MOD Single : A 34 SER OG : rot -17:sc= 0.131 USER MOD Single : A 35 SER OG : rot -49:sc= 0.669 USER MOD Single : A 36 LYS NZ :NH3+ 170:sc=-5.82e-05 (180deg=-0.112) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -167:sc= 1.24 (180deg=1.14) USER MOD Single : A 45 LYS NZ :NH3+ -166:sc= 1.18 (180deg=1.09) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.000703 K(o=-0.0007,f=-1.1) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 77:sc= 0.511 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -2.31! C(o=-2.3!,f=-7.3!) USER MOD ----------------------------------------------------------------- ATOM 38 N THR A 2 -6.161 -2.232 -22.839 1.00 71.42 N ATOM 39 CA THR A 2 -6.270 -1.257 -21.811 1.00 32.00 C ATOM 40 C THR A 2 -7.076 -1.847 -20.658 1.00 42.23 C ATOM 41 O THR A 2 -8.252 -2.212 -20.823 1.00 63.21 O ATOM 42 CB THR A 2 -6.962 -0.002 -22.357 1.00 52.41 C ATOM 43 OG1 THR A 2 -6.268 0.421 -23.554 1.00 52.44 O ATOM 44 CG2 THR A 2 -6.923 1.122 -21.332 1.00 73.14 C ATOM 0 HA THR A 2 -5.278 -0.977 -21.456 1.00 32.00 H new ATOM 0 HB THR A 2 -8.004 -0.234 -22.577 1.00 52.41 H new ATOM 0 HG1 THR A 2 -5.841 -0.354 -23.975 1.00 52.44 H new ATOM 0 HG21 THR A 2 -7.419 2.003 -21.739 1.00 73.14 H new ATOM 0 HG22 THR A 2 -7.435 0.804 -20.424 1.00 73.14 H new ATOM 0 HG23 THR A 2 -5.887 1.365 -21.098 1.00 73.14 H new ATOM 52 N VAL A 3 -6.449 -1.962 -19.519 1.00 53.14 N ATOM 53 CA VAL A 3 -7.074 -2.564 -18.372 1.00 52.05 C ATOM 54 C VAL A 3 -7.186 -1.528 -17.252 1.00 41.33 C ATOM 55 O VAL A 3 -6.238 -0.770 -17.004 1.00 33.34 O ATOM 56 CB VAL A 3 -6.241 -3.756 -17.832 1.00 23.12 C ATOM 57 CG1 VAL A 3 -6.983 -4.480 -16.786 1.00 1.13 C ATOM 58 CG2 VAL A 3 -5.807 -4.730 -18.894 1.00 14.14 C ATOM 0 H VAL A 3 -5.494 -1.642 -19.360 1.00 53.14 H new ATOM 0 HA VAL A 3 -8.056 -2.922 -18.681 1.00 52.05 H new ATOM 0 HB VAL A 3 -5.336 -3.311 -17.419 1.00 23.12 H new ATOM 0 HG11 VAL A 3 -6.380 -5.312 -16.422 1.00 1.13 H new ATOM 0 HG12 VAL A 3 -7.203 -3.803 -15.961 1.00 1.13 H new ATOM 0 HG13 VAL A 3 -7.916 -4.862 -17.200 1.00 1.13 H new ATOM 0 HG21 VAL A 3 -5.230 -5.534 -18.437 1.00 14.14 H new ATOM 0 HG22 VAL A 3 -6.686 -5.148 -19.385 1.00 14.14 H new ATOM 0 HG23 VAL A 3 -5.191 -4.215 -19.630 1.00 14.14 H new ATOM 68 N TYR A 4 -8.328 -1.483 -16.598 1.00 34.13 N ATOM 69 CA TYR A 4 -8.531 -0.575 -15.494 1.00 23.02 C ATOM 70 C TYR A 4 -8.512 -1.342 -14.167 1.00 74.35 C ATOM 71 O TYR A 4 -9.093 -2.433 -14.058 1.00 73.40 O ATOM 72 CB TYR A 4 -9.848 0.175 -15.672 1.00 75.13 C ATOM 73 CG TYR A 4 -9.923 0.961 -16.972 1.00 11.42 C ATOM 74 CD1 TYR A 4 -10.375 0.367 -18.140 1.00 72.24 C ATOM 75 CD2 TYR A 4 -9.529 2.289 -17.030 1.00 34.14 C ATOM 76 CE1 TYR A 4 -10.438 1.070 -19.321 1.00 73.33 C ATOM 77 CE2 TYR A 4 -9.586 3.001 -18.210 1.00 75.44 C ATOM 78 CZ TYR A 4 -10.042 2.388 -19.352 1.00 53.53 C ATOM 79 OH TYR A 4 -10.099 3.091 -20.537 1.00 55.22 O ATOM 0 H TYR A 4 -9.133 -2.070 -16.816 1.00 34.13 H new ATOM 0 HA TYR A 4 -7.720 0.153 -15.476 1.00 23.02 H new ATOM 0 HB2 TYR A 4 -10.671 -0.538 -15.639 1.00 75.13 H new ATOM 0 HB3 TYR A 4 -9.985 0.859 -14.834 1.00 75.13 H new ATOM 0 HD1 TYR A 4 -10.684 -0.668 -18.123 1.00 72.24 H new ATOM 0 HD2 TYR A 4 -9.171 2.775 -16.135 1.00 34.14 H new ATOM 0 HE1 TYR A 4 -10.796 0.590 -20.220 1.00 73.33 H new ATOM 0 HE2 TYR A 4 -9.274 4.035 -18.236 1.00 75.44 H new ATOM 0 HH TYR A 4 -9.786 4.008 -20.389 1.00 55.22 H new ATOM 89 N ILE A 5 -7.828 -0.789 -13.180 1.00 52.33 N ATOM 90 CA ILE A 5 -7.699 -1.414 -11.863 1.00 43.22 C ATOM 91 C ILE A 5 -8.338 -0.503 -10.816 1.00 63.43 C ATOM 92 O ILE A 5 -7.898 0.624 -10.633 1.00 55.54 O ATOM 93 CB ILE A 5 -6.196 -1.570 -11.394 1.00 53.24 C ATOM 94 CG1 ILE A 5 -5.268 -2.382 -12.323 1.00 24.01 C ATOM 95 CG2 ILE A 5 -6.143 -2.198 -10.004 1.00 33.41 C ATOM 96 CD1 ILE A 5 -5.092 -1.891 -13.753 1.00 51.31 C ATOM 0 H ILE A 5 -7.345 0.105 -13.263 1.00 52.33 H new ATOM 0 HA ILE A 5 -8.169 -2.394 -11.950 1.00 43.22 H new ATOM 0 HB ILE A 5 -5.814 -0.549 -11.409 1.00 53.24 H new ATOM 0 HG12 ILE A 5 -4.282 -2.424 -11.859 1.00 24.01 H new ATOM 0 HG13 ILE A 5 -5.645 -3.404 -12.363 1.00 24.01 H new ATOM 0 HG21 ILE A 5 -5.104 -2.301 -9.691 1.00 33.41 H new ATOM 0 HG22 ILE A 5 -6.674 -1.561 -9.297 1.00 33.41 H new ATOM 0 HG23 ILE A 5 -6.613 -3.181 -10.031 1.00 33.41 H new ATOM 0 HD11 ILE A 5 -4.415 -2.558 -14.286 1.00 51.31 H new ATOM 0 HD12 ILE A 5 -6.059 -1.879 -14.255 1.00 51.31 H new ATOM 0 HD13 ILE A 5 -4.676 -0.884 -13.743 1.00 51.31 H new ATOM 108 N CYS A 6 -9.351 -0.956 -10.162 1.00 42.04 N ATOM 109 CA CYS A 6 -9.909 -0.216 -9.064 1.00 15.44 C ATOM 110 C CYS A 6 -9.981 -1.110 -7.845 1.00 42.12 C ATOM 111 O CYS A 6 -10.925 -1.884 -7.703 1.00 70.44 O ATOM 112 CB CYS A 6 -11.272 0.393 -9.394 1.00 33.45 C ATOM 113 SG CYS A 6 -12.013 1.377 -8.070 1.00 62.31 S ATOM 0 H CYS A 6 -9.818 -1.840 -10.364 1.00 42.04 H new ATOM 0 HA CYS A 6 -9.252 0.628 -8.856 1.00 15.44 H new ATOM 0 HB2 CYS A 6 -11.167 1.022 -10.278 1.00 33.45 H new ATOM 0 HB3 CYS A 6 -11.959 -0.412 -9.655 1.00 33.45 H new ATOM 0 HG CYS A 6 -13.276 1.086 -7.967 1.00 62.31 H new ATOM 119 N PRO A 7 -8.966 -1.060 -6.963 1.00 33.42 N ATOM 120 CA PRO A 7 -8.940 -1.879 -5.735 1.00 64.50 C ATOM 121 C PRO A 7 -10.141 -1.603 -4.823 1.00 0.10 C ATOM 122 O PRO A 7 -10.504 -2.433 -3.991 1.00 22.41 O ATOM 123 CB PRO A 7 -7.640 -1.441 -5.038 1.00 63.14 C ATOM 124 CG PRO A 7 -6.798 -0.875 -6.131 1.00 64.34 C ATOM 125 CD PRO A 7 -7.747 -0.232 -7.096 1.00 5.13 C ATOM 0 HA PRO A 7 -8.986 -2.944 -5.961 1.00 64.50 H new ATOM 0 HB2 PRO A 7 -7.836 -0.699 -4.264 1.00 63.14 H new ATOM 0 HB3 PRO A 7 -7.147 -2.284 -4.554 1.00 63.14 H new ATOM 0 HG2 PRO A 7 -6.088 -0.147 -5.739 1.00 64.34 H new ATOM 0 HG3 PRO A 7 -6.216 -1.657 -6.619 1.00 64.34 H new ATOM 0 HD2 PRO A 7 -7.937 0.811 -6.841 1.00 5.13 H new ATOM 0 HD3 PRO A 7 -7.359 -0.246 -8.114 1.00 5.13 H new ATOM 133 N GLU A 8 -10.759 -0.450 -5.020 1.00 24.53 N ATOM 134 CA GLU A 8 -11.884 -0.005 -4.225 1.00 43.31 C ATOM 135 C GLU A 8 -13.129 -0.839 -4.491 1.00 43.41 C ATOM 136 O GLU A 8 -13.521 -1.677 -3.687 1.00 2.33 O ATOM 137 CB GLU A 8 -12.212 1.438 -4.564 1.00 55.21 C ATOM 138 CG GLU A 8 -11.075 2.401 -4.406 1.00 72.25 C ATOM 139 CD GLU A 8 -10.608 2.522 -2.980 1.00 3.31 C ATOM 140 OE1 GLU A 8 -11.359 3.092 -2.151 1.00 45.23 O ATOM 141 OE2 GLU A 8 -9.484 2.082 -2.666 1.00 13.31 O ATOM 0 H GLU A 8 -10.487 0.210 -5.748 1.00 24.53 H new ATOM 0 HA GLU A 8 -11.600 -0.110 -3.178 1.00 43.31 H new ATOM 0 HB2 GLU A 8 -12.565 1.482 -5.594 1.00 55.21 H new ATOM 0 HB3 GLU A 8 -13.036 1.766 -3.931 1.00 55.21 H new ATOM 0 HG2 GLU A 8 -10.242 2.078 -5.030 1.00 72.25 H new ATOM 0 HG3 GLU A 8 -11.383 3.382 -4.767 1.00 72.25 H new ATOM 148 N THR A 9 -13.725 -0.615 -5.639 1.00 23.45 N ATOM 149 CA THR A 9 -14.994 -1.207 -5.958 1.00 62.41 C ATOM 150 C THR A 9 -14.891 -2.302 -7.007 1.00 2.03 C ATOM 151 O THR A 9 -15.886 -2.986 -7.309 1.00 63.11 O ATOM 152 CB THR A 9 -15.983 -0.116 -6.408 1.00 62.02 C ATOM 153 OG1 THR A 9 -15.397 0.639 -7.486 1.00 2.03 O ATOM 154 CG2 THR A 9 -16.292 0.827 -5.254 1.00 72.14 C ATOM 0 H THR A 9 -13.342 -0.019 -6.373 1.00 23.45 H new ATOM 0 HA THR A 9 -15.363 -1.685 -5.050 1.00 62.41 H new ATOM 0 HB THR A 9 -16.907 -0.591 -6.738 1.00 62.02 H new ATOM 0 HG1 THR A 9 -16.024 1.334 -7.777 1.00 2.03 H new ATOM 0 HG21 THR A 9 -16.992 1.593 -5.587 1.00 72.14 H new ATOM 0 HG22 THR A 9 -16.734 0.264 -4.432 1.00 72.14 H new ATOM 0 HG23 THR A 9 -15.371 1.301 -4.915 1.00 72.14 H new ATOM 162 N GLY A 10 -13.705 -2.491 -7.561 1.00 40.12 N ATOM 163 CA GLY A 10 -13.554 -3.534 -8.545 1.00 32.50 C ATOM 164 C GLY A 10 -13.204 -4.853 -7.895 1.00 31.23 C ATOM 165 O GLY A 10 -13.371 -5.014 -6.678 1.00 15.12 O ATOM 0 H GLY A 10 -12.863 -1.954 -7.352 1.00 40.12 H new ATOM 0 HA2 GLY A 10 -14.479 -3.639 -9.112 1.00 32.50 H new ATOM 0 HA3 GLY A 10 -12.775 -3.257 -9.255 1.00 32.50 H new ATOM 169 N ASP A 11 -12.711 -5.771 -8.675 1.00 4.33 N ATOM 170 CA ASP A 11 -12.401 -7.109 -8.214 1.00 24.12 C ATOM 171 C ASP A 11 -11.690 -7.839 -9.327 1.00 3.34 C ATOM 172 O ASP A 11 -11.990 -7.620 -10.497 1.00 10.31 O ATOM 173 CB ASP A 11 -13.682 -7.869 -7.844 1.00 52.14 C ATOM 174 CG ASP A 11 -13.394 -9.186 -7.171 1.00 21.41 C ATOM 175 OD1 ASP A 11 -13.069 -10.166 -7.865 1.00 2.25 O ATOM 176 OD2 ASP A 11 -13.494 -9.254 -5.926 1.00 44.42 O ATOM 0 H ASP A 11 -12.508 -5.618 -9.663 1.00 4.33 H new ATOM 0 HA ASP A 11 -11.772 -7.049 -7.326 1.00 24.12 H new ATOM 0 HB2 ASP A 11 -14.290 -7.251 -7.183 1.00 52.14 H new ATOM 0 HB3 ASP A 11 -14.270 -8.045 -8.745 1.00 52.14 H new ATOM 181 N ASP A 12 -10.747 -8.685 -8.982 1.00 40.53 N ATOM 182 CA ASP A 12 -9.968 -9.437 -9.997 1.00 2.34 C ATOM 183 C ASP A 12 -10.785 -10.447 -10.785 1.00 75.03 C ATOM 184 O ASP A 12 -10.305 -10.994 -11.782 1.00 53.33 O ATOM 185 CB ASP A 12 -8.716 -10.101 -9.425 1.00 22.42 C ATOM 186 CG ASP A 12 -7.702 -9.110 -8.961 1.00 2.23 C ATOM 187 OD1 ASP A 12 -7.661 -8.008 -9.498 1.00 53.15 O ATOM 188 OD2 ASP A 12 -6.941 -9.411 -8.038 1.00 60.53 O ATOM 0 H ASP A 12 -10.485 -8.884 -8.016 1.00 40.53 H new ATOM 0 HA ASP A 12 -9.651 -8.666 -10.699 1.00 2.34 H new ATOM 0 HB2 ASP A 12 -8.999 -10.743 -8.591 1.00 22.42 H new ATOM 0 HB3 ASP A 12 -8.270 -10.743 -10.185 1.00 22.42 H new ATOM 193 N GLY A 13 -12.004 -10.702 -10.362 1.00 22.14 N ATOM 194 CA GLY A 13 -12.861 -11.614 -11.094 1.00 62.33 C ATOM 195 C GLY A 13 -13.641 -10.905 -12.188 1.00 73.41 C ATOM 196 O GLY A 13 -14.542 -11.479 -12.797 1.00 31.20 O ATOM 0 H GLY A 13 -12.422 -10.297 -9.525 1.00 22.14 H new ATOM 0 HA2 GLY A 13 -12.256 -12.406 -11.535 1.00 62.33 H new ATOM 0 HA3 GLY A 13 -13.556 -12.091 -10.404 1.00 62.33 H new ATOM 200 N ASN A 14 -13.304 -9.656 -12.421 1.00 73.54 N ATOM 201 CA ASN A 14 -13.953 -8.846 -13.442 1.00 0.44 C ATOM 202 C ASN A 14 -13.275 -8.948 -14.795 1.00 42.11 C ATOM 203 O ASN A 14 -12.269 -9.625 -14.944 1.00 31.24 O ATOM 204 CB ASN A 14 -14.006 -7.396 -13.013 1.00 73.35 C ATOM 205 CG ASN A 14 -14.963 -7.145 -11.877 1.00 53.43 C ATOM 206 OD1 ASN A 14 -15.958 -7.836 -11.728 1.00 61.20 O ATOM 207 ND2 ASN A 14 -14.685 -6.155 -11.089 1.00 51.32 N ATOM 0 H ASN A 14 -12.570 -9.167 -11.909 1.00 73.54 H new ATOM 0 HA ASN A 14 -14.963 -9.240 -13.551 1.00 0.44 H new ATOM 0 HB2 ASN A 14 -13.008 -7.076 -12.715 1.00 73.35 H new ATOM 0 HB3 ASN A 14 -14.296 -6.782 -13.866 1.00 73.35 H new ATOM 0 HD21 ASN A 14 -15.307 -5.931 -10.313 1.00 51.32 H new ATOM 0 HD22 ASN A 14 -13.844 -5.600 -11.245 1.00 51.32 H new ATOM 214 N ASP A 15 -13.832 -8.235 -15.774 1.00 4.23 N ATOM 215 CA ASP A 15 -13.323 -8.224 -17.156 1.00 43.32 C ATOM 216 C ASP A 15 -12.247 -7.176 -17.353 1.00 55.20 C ATOM 217 O ASP A 15 -11.678 -7.051 -18.443 1.00 12.41 O ATOM 218 CB ASP A 15 -14.461 -7.957 -18.157 1.00 12.43 C ATOM 219 CG ASP A 15 -15.483 -9.059 -18.208 1.00 43.04 C ATOM 220 OD1 ASP A 15 -15.222 -10.090 -18.877 1.00 24.41 O ATOM 221 OD2 ASP A 15 -16.549 -8.934 -17.582 1.00 42.55 O ATOM 0 H ASP A 15 -14.652 -7.645 -15.636 1.00 4.23 H new ATOM 0 HA ASP A 15 -12.893 -9.209 -17.337 1.00 43.32 H new ATOM 0 HB2 ASP A 15 -14.957 -7.024 -17.891 1.00 12.43 H new ATOM 0 HB3 ASP A 15 -14.036 -7.820 -19.151 1.00 12.43 H new ATOM 226 N GLY A 16 -11.960 -6.433 -16.307 1.00 65.33 N ATOM 227 CA GLY A 16 -11.002 -5.367 -16.388 1.00 4.11 C ATOM 228 C GLY A 16 -11.411 -4.231 -17.287 1.00 54.00 C ATOM 229 O GLY A 16 -10.569 -3.610 -17.937 1.00 14.32 O ATOM 0 H GLY A 16 -12.383 -6.554 -15.387 1.00 65.33 H new ATOM 0 HA2 GLY A 16 -10.826 -4.976 -15.386 1.00 4.11 H new ATOM 0 HA3 GLY A 16 -10.055 -5.772 -16.743 1.00 4.11 H new ATOM 233 N SER A 17 -12.677 -3.967 -17.328 1.00 62.33 N ATOM 234 CA SER A 17 -13.207 -2.875 -18.091 1.00 73.42 C ATOM 235 C SER A 17 -13.228 -1.653 -17.175 1.00 4.01 C ATOM 236 O SER A 17 -12.889 -1.775 -16.000 1.00 42.21 O ATOM 237 CB SER A 17 -14.628 -3.230 -18.514 1.00 64.33 C ATOM 238 OG SER A 17 -14.664 -4.499 -19.152 1.00 64.00 O ATOM 0 H SER A 17 -13.383 -4.507 -16.828 1.00 62.33 H new ATOM 0 HA SER A 17 -12.608 -2.673 -18.979 1.00 73.42 H new ATOM 0 HB2 SER A 17 -15.280 -3.239 -17.641 1.00 64.33 H new ATOM 0 HB3 SER A 17 -15.012 -2.467 -19.191 1.00 64.33 H new ATOM 0 HG SER A 17 -15.585 -4.708 -19.414 1.00 64.00 H new ATOM 244 N GLU A 18 -13.613 -0.493 -17.677 1.00 62.41 N ATOM 245 CA GLU A 18 -13.719 0.661 -16.826 1.00 72.22 C ATOM 246 C GLU A 18 -14.890 0.454 -15.846 1.00 33.04 C ATOM 247 O GLU A 18 -14.843 0.892 -14.702 1.00 4.10 O ATOM 248 CB GLU A 18 -13.909 1.941 -17.653 1.00 21.52 C ATOM 249 CG GLU A 18 -13.909 3.197 -16.811 1.00 65.41 C ATOM 250 CD GLU A 18 -14.138 4.465 -17.597 1.00 64.14 C ATOM 251 OE1 GLU A 18 -15.285 4.709 -18.014 1.00 23.31 O ATOM 252 OE2 GLU A 18 -13.188 5.275 -17.766 1.00 11.33 O ATOM 0 H GLU A 18 -13.852 -0.334 -18.656 1.00 62.41 H new ATOM 0 HA GLU A 18 -12.794 0.779 -16.261 1.00 72.22 H new ATOM 0 HB2 GLU A 18 -13.113 2.008 -18.395 1.00 21.52 H new ATOM 0 HB3 GLU A 18 -14.850 1.877 -18.199 1.00 21.52 H new ATOM 0 HG2 GLU A 18 -14.683 3.110 -16.048 1.00 65.41 H new ATOM 0 HG3 GLU A 18 -12.955 3.272 -16.290 1.00 65.41 H new ATOM 259 N LEU A 19 -15.929 -0.244 -16.323 1.00 55.13 N ATOM 260 CA LEU A 19 -17.098 -0.569 -15.519 1.00 72.31 C ATOM 261 C LEU A 19 -16.835 -1.751 -14.589 1.00 11.31 C ATOM 262 O LEU A 19 -17.494 -1.910 -13.564 1.00 21.24 O ATOM 263 CB LEU A 19 -18.315 -0.868 -16.407 1.00 61.14 C ATOM 264 CG LEU A 19 -18.904 0.300 -17.219 1.00 32.54 C ATOM 265 CD1 LEU A 19 -19.306 1.460 -16.320 1.00 12.22 C ATOM 266 CD2 LEU A 19 -17.991 0.761 -18.351 1.00 44.13 C ATOM 0 H LEU A 19 -15.976 -0.596 -17.279 1.00 55.13 H new ATOM 0 HA LEU A 19 -17.313 0.307 -14.907 1.00 72.31 H new ATOM 0 HB2 LEU A 19 -18.036 -1.657 -17.106 1.00 61.14 H new ATOM 0 HB3 LEU A 19 -19.105 -1.269 -15.772 1.00 61.14 H new ATOM 0 HG LEU A 19 -19.807 -0.085 -17.693 1.00 32.54 H new ATOM 0 HD11 LEU A 19 -19.717 2.266 -16.928 1.00 12.22 H new ATOM 0 HD12 LEU A 19 -20.058 1.124 -15.606 1.00 12.22 H new ATOM 0 HD13 LEU A 19 -18.431 1.823 -15.781 1.00 12.22 H new ATOM 0 HD21 LEU A 19 -18.462 1.586 -18.885 1.00 44.13 H new ATOM 0 HD22 LEU A 19 -17.039 1.093 -17.938 1.00 44.13 H new ATOM 0 HD23 LEU A 19 -17.819 -0.066 -19.040 1.00 44.13 H new ATOM 278 N LYS A 20 -15.874 -2.584 -14.946 1.00 44.41 N ATOM 279 CA LYS A 20 -15.515 -3.732 -14.111 1.00 70.45 C ATOM 280 C LYS A 20 -14.023 -3.789 -13.971 1.00 51.52 C ATOM 281 O LYS A 20 -13.371 -4.586 -14.638 1.00 5.25 O ATOM 282 CB LYS A 20 -15.948 -5.061 -14.716 1.00 71.32 C ATOM 283 CG LYS A 20 -17.399 -5.195 -15.120 1.00 35.51 C ATOM 284 CD LYS A 20 -17.615 -6.583 -15.688 1.00 44.33 C ATOM 285 CE LYS A 20 -19.028 -6.810 -16.163 1.00 52.55 C ATOM 286 NZ LYS A 20 -19.173 -8.149 -16.766 1.00 4.31 N ATOM 0 H LYS A 20 -15.327 -2.494 -15.802 1.00 44.41 H new ATOM 0 HA LYS A 20 -16.023 -3.594 -13.157 1.00 70.45 H new ATOM 0 HB2 LYS A 20 -15.333 -5.248 -15.597 1.00 71.32 H new ATOM 0 HB3 LYS A 20 -15.723 -5.849 -13.997 1.00 71.32 H new ATOM 0 HG2 LYS A 20 -18.048 -5.033 -14.259 1.00 35.51 H new ATOM 0 HG3 LYS A 20 -17.657 -4.438 -15.861 1.00 35.51 H new ATOM 0 HD2 LYS A 20 -16.928 -6.741 -16.519 1.00 44.33 H new ATOM 0 HD3 LYS A 20 -17.370 -7.324 -14.927 1.00 44.33 H new ATOM 0 HE2 LYS A 20 -19.718 -6.707 -15.326 1.00 52.55 H new ATOM 0 HE3 LYS A 20 -19.297 -6.047 -16.893 1.00 52.55 H new ATOM 0 HZ1 LYS A 20 -19.821 -8.096 -17.577 1.00 4.31 H new ATOM 0 HZ2 LYS A 20 -18.244 -8.488 -17.087 1.00 4.31 H new ATOM 0 HZ3 LYS A 20 -19.556 -8.808 -16.059 1.00 4.31 H new ATOM 300 N PRO A 21 -13.450 -2.936 -13.172 1.00 43.45 N ATOM 301 CA PRO A 21 -12.019 -2.919 -12.974 1.00 52.43 C ATOM 302 C PRO A 21 -11.588 -4.047 -12.036 1.00 1.31 C ATOM 303 O PRO A 21 -12.396 -4.531 -11.225 1.00 21.42 O ATOM 304 CB PRO A 21 -11.788 -1.553 -12.343 1.00 55.43 C ATOM 305 CG PRO A 21 -13.052 -1.259 -11.612 1.00 3.52 C ATOM 306 CD PRO A 21 -14.143 -1.895 -12.387 1.00 43.34 C ATOM 0 HA PRO A 21 -11.447 -3.071 -13.889 1.00 52.43 H new ATOM 0 HB2 PRO A 21 -10.933 -1.568 -11.667 1.00 55.43 H new ATOM 0 HB3 PRO A 21 -11.582 -0.796 -13.100 1.00 55.43 H new ATOM 0 HG2 PRO A 21 -13.015 -1.655 -10.597 1.00 3.52 H new ATOM 0 HG3 PRO A 21 -13.211 -0.184 -11.529 1.00 3.52 H new ATOM 0 HD2 PRO A 21 -14.902 -2.325 -11.733 1.00 43.34 H new ATOM 0 HD3 PRO A 21 -14.648 -1.176 -13.032 1.00 43.34 H new ATOM 314 N LEU A 22 -10.359 -4.504 -12.159 1.00 13.51 N ATOM 315 CA LEU A 22 -9.871 -5.533 -11.279 1.00 5.45 C ATOM 316 C LEU A 22 -9.475 -4.924 -9.967 1.00 60.13 C ATOM 317 O LEU A 22 -9.586 -3.707 -9.785 1.00 41.42 O ATOM 318 CB LEU A 22 -8.682 -6.273 -11.873 1.00 53.43 C ATOM 319 CG LEU A 22 -8.863 -6.847 -13.261 1.00 50.51 C ATOM 320 CD1 LEU A 22 -10.178 -7.570 -13.441 1.00 23.41 C ATOM 321 CD2 LEU A 22 -8.597 -5.834 -14.315 1.00 42.40 C ATOM 0 H LEU A 22 -9.688 -4.179 -12.855 1.00 13.51 H new ATOM 0 HA LEU A 22 -10.675 -6.255 -11.134 1.00 5.45 H new ATOM 0 HB2 LEU A 22 -7.833 -5.590 -11.895 1.00 53.43 H new ATOM 0 HB3 LEU A 22 -8.418 -7.088 -11.200 1.00 53.43 H new ATOM 0 HG LEU A 22 -8.104 -7.621 -13.379 1.00 50.51 H new ATOM 0 HD11 LEU A 22 -10.244 -7.957 -14.458 1.00 23.41 H new ATOM 0 HD12 LEU A 22 -10.238 -8.397 -12.733 1.00 23.41 H new ATOM 0 HD13 LEU A 22 -11.001 -6.878 -13.262 1.00 23.41 H new ATOM 0 HD21 LEU A 22 -8.738 -6.285 -15.297 1.00 42.40 H new ATOM 0 HD22 LEU A 22 -9.286 -4.998 -14.198 1.00 42.40 H new ATOM 0 HD23 LEU A 22 -7.572 -5.475 -14.224 1.00 42.40 H new ATOM 333 N ARG A 23 -9.001 -5.726 -9.062 1.00 12.42 N ATOM 334 CA ARG A 23 -8.641 -5.211 -7.800 1.00 64.34 C ATOM 335 C ARG A 23 -7.132 -5.195 -7.580 1.00 53.32 C ATOM 336 O ARG A 23 -6.646 -4.673 -6.580 1.00 71.21 O ATOM 337 CB ARG A 23 -9.490 -5.790 -6.641 1.00 54.13 C ATOM 338 CG ARG A 23 -9.420 -7.261 -6.272 1.00 5.13 C ATOM 339 CD ARG A 23 -8.094 -7.687 -5.662 1.00 3.21 C ATOM 340 NE ARG A 23 -8.265 -8.821 -4.721 1.00 5.53 N ATOM 341 CZ ARG A 23 -7.463 -9.898 -4.609 1.00 31.55 C ATOM 342 NH1 ARG A 23 -6.611 -10.204 -5.566 1.00 63.44 N ATOM 343 NH2 ARG A 23 -7.592 -10.717 -3.566 1.00 45.52 N ATOM 0 H ARG A 23 -8.860 -6.729 -9.183 1.00 12.42 H new ATOM 0 HA ARG A 23 -8.911 -4.155 -7.796 1.00 64.34 H new ATOM 0 HB2 ARG A 23 -9.233 -5.225 -5.745 1.00 54.13 H new ATOM 0 HB3 ARG A 23 -10.533 -5.569 -6.869 1.00 54.13 H new ATOM 0 HG2 ARG A 23 -10.221 -7.486 -5.567 1.00 5.13 H new ATOM 0 HG3 ARG A 23 -9.605 -7.858 -7.165 1.00 5.13 H new ATOM 0 HD2 ARG A 23 -7.403 -7.973 -6.455 1.00 3.21 H new ATOM 0 HD3 ARG A 23 -7.646 -6.843 -5.138 1.00 3.21 H new ATOM 0 HE ARG A 23 -9.070 -8.781 -4.096 1.00 5.53 H new ATOM 0 HH11 ARG A 23 -6.554 -9.623 -6.403 1.00 63.44 H new ATOM 0 HH12 ARG A 23 -6.009 -11.022 -5.470 1.00 63.44 H new ATOM 0 HH21 ARG A 23 -8.297 -10.528 -2.854 1.00 45.52 H new ATOM 0 HH22 ARG A 23 -6.986 -11.533 -3.480 1.00 45.52 H new ATOM 357 N THR A 24 -6.395 -5.755 -8.537 1.00 41.33 N ATOM 358 CA THR A 24 -4.945 -5.716 -8.539 1.00 74.42 C ATOM 359 C THR A 24 -4.451 -5.435 -9.946 1.00 42.33 C ATOM 360 O THR A 24 -5.178 -5.642 -10.927 1.00 35.32 O ATOM 361 CB THR A 24 -4.293 -7.049 -8.060 1.00 12.22 C ATOM 362 OG1 THR A 24 -4.733 -8.152 -8.866 1.00 21.51 O ATOM 363 CG2 THR A 24 -4.557 -7.323 -6.588 1.00 74.34 C ATOM 0 H THR A 24 -6.795 -6.250 -9.334 1.00 41.33 H new ATOM 0 HA THR A 24 -4.656 -4.930 -7.841 1.00 74.42 H new ATOM 0 HB THR A 24 -3.215 -6.936 -8.179 1.00 12.22 H new ATOM 0 HG1 THR A 24 -5.324 -8.728 -8.337 1.00 21.51 H new ATOM 0 HG21 THR A 24 -4.083 -8.262 -6.302 1.00 74.34 H new ATOM 0 HG22 THR A 24 -4.146 -6.511 -5.987 1.00 74.34 H new ATOM 0 HG23 THR A 24 -5.631 -7.392 -6.418 1.00 74.34 H new ATOM 371 N LEU A 25 -3.230 -4.976 -10.049 1.00 54.31 N ATOM 372 CA LEU A 25 -2.595 -4.745 -11.330 1.00 71.10 C ATOM 373 C LEU A 25 -2.123 -6.088 -11.888 1.00 5.31 C ATOM 374 O LEU A 25 -1.901 -6.256 -13.090 1.00 65.40 O ATOM 375 CB LEU A 25 -1.438 -3.763 -11.152 1.00 30.41 C ATOM 376 CG LEU A 25 -0.625 -3.406 -12.394 1.00 12.02 C ATOM 377 CD1 LEU A 25 -1.514 -2.846 -13.492 1.00 62.14 C ATOM 378 CD2 LEU A 25 0.433 -2.401 -12.020 1.00 32.21 C ATOM 0 H LEU A 25 -2.643 -4.750 -9.246 1.00 54.31 H new ATOM 0 HA LEU A 25 -3.295 -4.304 -12.040 1.00 71.10 H new ATOM 0 HB2 LEU A 25 -1.840 -2.840 -10.735 1.00 30.41 H new ATOM 0 HB3 LEU A 25 -0.756 -4.177 -10.410 1.00 30.41 H new ATOM 0 HG LEU A 25 -0.156 -4.312 -12.777 1.00 12.02 H new ATOM 0 HD11 LEU A 25 -0.906 -2.601 -14.363 1.00 62.14 H new ATOM 0 HD12 LEU A 25 -2.262 -3.589 -13.769 1.00 62.14 H new ATOM 0 HD13 LEU A 25 -2.012 -1.946 -13.133 1.00 62.14 H new ATOM 0 HD21 LEU A 25 1.017 -2.142 -12.903 1.00 32.21 H new ATOM 0 HD22 LEU A 25 -0.042 -1.504 -11.623 1.00 32.21 H new ATOM 0 HD23 LEU A 25 1.090 -2.829 -11.263 1.00 32.21 H new ATOM 390 N TYR A 26 -1.987 -7.031 -10.986 1.00 61.04 N ATOM 391 CA TYR A 26 -1.611 -8.383 -11.297 1.00 50.15 C ATOM 392 C TYR A 26 -2.636 -9.057 -12.220 1.00 62.04 C ATOM 393 O TYR A 26 -2.250 -9.654 -13.231 1.00 13.14 O ATOM 394 CB TYR A 26 -1.354 -9.158 -9.980 1.00 45.11 C ATOM 395 CG TYR A 26 -1.067 -10.635 -10.122 1.00 30.22 C ATOM 396 CD1 TYR A 26 -0.509 -11.162 -11.275 1.00 22.51 C ATOM 397 CD2 TYR A 26 -1.399 -11.509 -9.110 1.00 13.43 C ATOM 398 CE1 TYR A 26 -0.287 -12.503 -11.404 1.00 2.04 C ATOM 399 CE2 TYR A 26 -1.190 -12.844 -9.245 1.00 40.12 C ATOM 400 CZ TYR A 26 -0.636 -13.341 -10.388 1.00 15.54 C ATOM 401 OH TYR A 26 -0.441 -14.691 -10.520 1.00 24.42 O ATOM 0 H TYR A 26 -2.140 -6.871 -9.990 1.00 61.04 H new ATOM 0 HA TYR A 26 -0.680 -8.385 -11.864 1.00 50.15 H new ATOM 0 HB2 TYR A 26 -0.512 -8.693 -9.467 1.00 45.11 H new ATOM 0 HB3 TYR A 26 -2.225 -9.038 -9.336 1.00 45.11 H new ATOM 0 HD1 TYR A 26 -0.245 -10.500 -12.087 1.00 22.51 H new ATOM 0 HD2 TYR A 26 -1.831 -11.127 -8.197 1.00 13.43 H new ATOM 0 HE1 TYR A 26 0.162 -12.896 -12.304 1.00 2.04 H new ATOM 0 HE2 TYR A 26 -1.464 -13.515 -8.444 1.00 40.12 H new ATOM 0 HH TYR A 26 -0.517 -14.942 -11.464 1.00 24.42 H new ATOM 411 N GLN A 27 -3.922 -8.941 -11.915 1.00 4.22 N ATOM 412 CA GLN A 27 -4.928 -9.548 -12.783 1.00 13.04 C ATOM 413 C GLN A 27 -4.909 -8.907 -14.169 1.00 43.30 C ATOM 414 O GLN A 27 -5.125 -9.579 -15.168 1.00 53.43 O ATOM 415 CB GLN A 27 -6.322 -9.511 -12.166 1.00 41.21 C ATOM 416 CG GLN A 27 -7.419 -10.130 -13.046 1.00 52.44 C ATOM 417 CD GLN A 27 -7.135 -11.573 -13.448 1.00 1.51 C ATOM 418 OE1 GLN A 27 -6.483 -12.314 -12.733 1.00 13.32 O ATOM 419 NE2 GLN A 27 -7.640 -11.972 -14.589 1.00 44.11 N ATOM 0 H GLN A 27 -4.288 -8.449 -11.100 1.00 4.22 H new ATOM 0 HA GLN A 27 -4.667 -10.600 -12.895 1.00 13.04 H new ATOM 0 HB2 GLN A 27 -6.298 -10.037 -11.211 1.00 41.21 H new ATOM 0 HB3 GLN A 27 -6.585 -8.475 -11.953 1.00 41.21 H new ATOM 0 HG2 GLN A 27 -8.368 -10.090 -12.511 1.00 52.44 H new ATOM 0 HG3 GLN A 27 -7.535 -9.527 -13.946 1.00 52.44 H new ATOM 0 HE21 GLN A 27 -8.181 -11.324 -15.162 1.00 44.11 H new ATOM 0 HE22 GLN A 27 -7.492 -12.931 -14.905 1.00 44.11 H new ATOM 428 N ALA A 28 -4.609 -7.618 -14.219 1.00 72.13 N ATOM 429 CA ALA A 28 -4.476 -6.900 -15.448 1.00 53.11 C ATOM 430 C ALA A 28 -3.412 -7.561 -16.344 1.00 13.01 C ATOM 431 O ALA A 28 -3.594 -7.693 -17.554 1.00 74.00 O ATOM 432 CB ALA A 28 -4.138 -5.448 -15.141 1.00 4.33 C ATOM 0 H ALA A 28 -4.452 -7.047 -13.389 1.00 72.13 H new ATOM 0 HA ALA A 28 -5.417 -6.926 -15.998 1.00 53.11 H new ATOM 0 HB1 ALA A 28 -4.035 -4.893 -16.074 1.00 4.33 H new ATOM 0 HB2 ALA A 28 -4.936 -5.007 -14.543 1.00 4.33 H new ATOM 0 HB3 ALA A 28 -3.201 -5.402 -14.586 1.00 4.33 H new ATOM 438 N MET A 29 -2.313 -7.998 -15.743 1.00 43.24 N ATOM 439 CA MET A 29 -1.307 -8.724 -16.468 1.00 71.05 C ATOM 440 C MET A 29 -1.749 -10.130 -16.846 1.00 62.31 C ATOM 441 O MET A 29 -1.352 -10.634 -17.876 1.00 1.43 O ATOM 442 CB MET A 29 0.040 -8.736 -15.776 1.00 71.01 C ATOM 443 CG MET A 29 0.828 -7.446 -15.909 1.00 75.14 C ATOM 444 SD MET A 29 2.485 -7.612 -15.282 1.00 62.14 S ATOM 445 CE MET A 29 3.147 -6.047 -15.776 1.00 20.42 C ATOM 0 H MET A 29 -2.106 -7.857 -14.754 1.00 43.24 H new ATOM 0 HA MET A 29 -1.175 -8.168 -17.396 1.00 71.05 H new ATOM 0 HB2 MET A 29 -0.112 -8.947 -14.717 1.00 71.01 H new ATOM 0 HB3 MET A 29 0.635 -9.554 -16.182 1.00 71.01 H new ATOM 0 HG2 MET A 29 0.865 -7.150 -16.957 1.00 75.14 H new ATOM 0 HG3 MET A 29 0.314 -6.650 -15.370 1.00 75.14 H new ATOM 0 HE1 MET A 29 4.235 -6.106 -15.810 1.00 20.42 H new ATOM 0 HE2 MET A 29 2.767 -5.787 -16.764 1.00 20.42 H new ATOM 0 HE3 MET A 29 2.848 -5.283 -15.059 1.00 20.42 H new ATOM 455 N ILE A 30 -2.566 -10.756 -16.020 1.00 11.11 N ATOM 456 CA ILE A 30 -3.076 -12.102 -16.323 1.00 71.51 C ATOM 457 C ILE A 30 -4.028 -12.062 -17.524 1.00 44.10 C ATOM 458 O ILE A 30 -4.051 -12.977 -18.353 1.00 75.44 O ATOM 459 CB ILE A 30 -3.791 -12.752 -15.099 1.00 63.41 C ATOM 460 CG1 ILE A 30 -2.819 -12.869 -13.922 1.00 74.34 C ATOM 461 CG2 ILE A 30 -4.350 -14.133 -15.462 1.00 12.44 C ATOM 462 CD1 ILE A 30 -3.419 -13.497 -12.682 1.00 44.13 C ATOM 0 H ILE A 30 -2.896 -10.367 -15.137 1.00 11.11 H new ATOM 0 HA ILE A 30 -2.212 -12.720 -16.568 1.00 71.51 H new ATOM 0 HB ILE A 30 -4.624 -12.112 -14.810 1.00 63.41 H new ATOM 0 HG12 ILE A 30 -1.957 -13.459 -14.234 1.00 74.34 H new ATOM 0 HG13 ILE A 30 -2.450 -11.875 -13.670 1.00 74.34 H new ATOM 0 HG21 ILE A 30 -4.844 -14.566 -14.592 1.00 12.44 H new ATOM 0 HG22 ILE A 30 -5.069 -14.032 -16.275 1.00 12.44 H new ATOM 0 HG23 ILE A 30 -3.535 -14.784 -15.778 1.00 12.44 H new ATOM 0 HD11 ILE A 30 -2.665 -13.543 -11.896 1.00 44.13 H new ATOM 0 HD12 ILE A 30 -4.262 -12.896 -12.342 1.00 44.13 H new ATOM 0 HD13 ILE A 30 -3.762 -14.505 -12.914 1.00 44.13 H new ATOM 474 N ILE A 31 -4.795 -11.001 -17.620 1.00 34.13 N ATOM 475 CA ILE A 31 -5.724 -10.833 -18.704 1.00 62.34 C ATOM 476 C ILE A 31 -4.989 -10.522 -20.017 1.00 22.10 C ATOM 477 O ILE A 31 -5.389 -10.972 -21.098 1.00 23.33 O ATOM 478 CB ILE A 31 -6.738 -9.705 -18.400 1.00 51.33 C ATOM 479 CG1 ILE A 31 -7.481 -10.005 -17.108 1.00 23.05 C ATOM 480 CG2 ILE A 31 -7.730 -9.595 -19.525 1.00 31.44 C ATOM 481 CD1 ILE A 31 -8.498 -8.961 -16.729 1.00 41.22 C ATOM 0 H ILE A 31 -4.790 -10.233 -16.948 1.00 34.13 H new ATOM 0 HA ILE A 31 -6.265 -11.773 -18.815 1.00 62.34 H new ATOM 0 HB ILE A 31 -6.195 -8.765 -18.296 1.00 51.33 H new ATOM 0 HG12 ILE A 31 -7.983 -10.968 -17.205 1.00 23.05 H new ATOM 0 HG13 ILE A 31 -6.757 -10.103 -16.299 1.00 23.05 H new ATOM 0 HG21 ILE A 31 -8.442 -8.799 -19.306 1.00 31.44 H new ATOM 0 HG22 ILE A 31 -7.205 -9.367 -20.452 1.00 31.44 H new ATOM 0 HG23 ILE A 31 -8.264 -10.539 -19.633 1.00 31.44 H new ATOM 0 HD11 ILE A 31 -8.984 -9.248 -15.797 1.00 41.22 H new ATOM 0 HD12 ILE A 31 -8.001 -8.000 -16.598 1.00 41.22 H new ATOM 0 HD13 ILE A 31 -9.246 -8.878 -17.518 1.00 41.22 H new ATOM 493 N THR A 32 -3.904 -9.790 -19.920 1.00 14.13 N ATOM 494 CA THR A 32 -3.176 -9.373 -21.081 1.00 12.42 C ATOM 495 C THR A 32 -2.128 -10.422 -21.503 1.00 72.11 C ATOM 496 O THR A 32 -1.973 -10.710 -22.690 1.00 31.35 O ATOM 497 CB THR A 32 -2.507 -7.995 -20.829 1.00 63.02 C ATOM 498 OG1 THR A 32 -1.686 -8.072 -19.651 1.00 41.33 O ATOM 499 CG2 THR A 32 -3.565 -6.909 -20.620 1.00 1.24 C ATOM 0 H THR A 32 -3.508 -9.471 -19.036 1.00 14.13 H new ATOM 0 HA THR A 32 -3.885 -9.274 -21.903 1.00 12.42 H new ATOM 0 HB THR A 32 -1.902 -7.741 -21.699 1.00 63.02 H new ATOM 0 HG1 THR A 32 -2.236 -7.905 -18.857 1.00 41.33 H new ATOM 0 HG21 THR A 32 -3.074 -5.952 -20.445 1.00 1.24 H new ATOM 0 HG22 THR A 32 -4.193 -6.838 -21.508 1.00 1.24 H new ATOM 0 HG23 THR A 32 -4.182 -7.163 -19.758 1.00 1.24 H new ATOM 507 N LYS A 33 -1.423 -10.985 -20.503 1.00 65.45 N ATOM 508 CA LYS A 33 -0.346 -11.994 -20.677 1.00 15.12 C ATOM 509 C LYS A 33 0.849 -11.422 -21.431 1.00 41.00 C ATOM 510 O LYS A 33 1.771 -12.146 -21.805 1.00 60.53 O ATOM 511 CB LYS A 33 -0.842 -13.272 -21.378 1.00 34.31 C ATOM 512 CG LYS A 33 -1.939 -14.023 -20.638 1.00 15.24 C ATOM 513 CD LYS A 33 -2.298 -15.334 -21.342 1.00 13.11 C ATOM 514 CE LYS A 33 -2.818 -15.120 -22.765 1.00 62.42 C ATOM 515 NZ LYS A 33 -4.083 -14.353 -22.800 1.00 51.21 N ATOM 0 H LYS A 33 -1.587 -10.748 -19.524 1.00 65.45 H new ATOM 0 HA LYS A 33 -0.028 -12.265 -19.670 1.00 15.12 H new ATOM 0 HB2 LYS A 33 -1.209 -13.006 -22.369 1.00 34.31 H new ATOM 0 HB3 LYS A 33 0.005 -13.943 -21.521 1.00 34.31 H new ATOM 0 HG2 LYS A 33 -1.613 -14.234 -19.619 1.00 15.24 H new ATOM 0 HG3 LYS A 33 -2.826 -13.394 -20.565 1.00 15.24 H new ATOM 0 HD2 LYS A 33 -1.418 -15.976 -21.374 1.00 13.11 H new ATOM 0 HD3 LYS A 33 -3.055 -15.859 -20.759 1.00 13.11 H new ATOM 0 HE2 LYS A 33 -2.062 -14.594 -23.349 1.00 62.42 H new ATOM 0 HE3 LYS A 33 -2.971 -16.088 -23.241 1.00 62.42 H new ATOM 0 HZ1 LYS A 33 -4.435 -14.309 -23.777 1.00 51.21 H new ATOM 0 HZ2 LYS A 33 -4.790 -14.821 -22.198 1.00 51.21 H new ATOM 0 HZ3 LYS A 33 -3.914 -13.389 -22.449 1.00 51.21 H new ATOM 529 N SER A 34 0.860 -10.129 -21.610 1.00 23.21 N ATOM 530 CA SER A 34 1.892 -9.506 -22.407 1.00 1.52 C ATOM 531 C SER A 34 2.943 -8.801 -21.534 1.00 21.05 C ATOM 532 O SER A 34 4.011 -8.432 -22.028 1.00 24.33 O ATOM 533 CB SER A 34 1.239 -8.521 -23.408 1.00 33.34 C ATOM 534 OG SER A 34 2.187 -7.935 -24.295 1.00 4.31 O ATOM 0 H SER A 34 0.172 -9.486 -21.219 1.00 23.21 H new ATOM 0 HA SER A 34 2.421 -10.282 -22.960 1.00 1.52 H new ATOM 0 HB2 SER A 34 0.481 -9.047 -23.988 1.00 33.34 H new ATOM 0 HB3 SER A 34 0.728 -7.733 -22.856 1.00 33.34 H new ATOM 0 HG SER A 34 3.090 -8.047 -23.930 1.00 4.31 H new ATOM 540 N SER A 35 2.635 -8.628 -20.222 1.00 3.00 N ATOM 541 CA SER A 35 3.506 -7.872 -19.270 1.00 24.01 C ATOM 542 C SER A 35 3.592 -6.408 -19.719 1.00 52.14 C ATOM 543 O SER A 35 4.426 -5.626 -19.253 1.00 42.54 O ATOM 544 CB SER A 35 4.917 -8.469 -19.232 1.00 54.43 C ATOM 545 OG SER A 35 4.884 -9.855 -18.938 1.00 21.21 O ATOM 0 H SER A 35 1.788 -9.002 -19.794 1.00 3.00 H new ATOM 0 HA SER A 35 3.071 -7.938 -18.273 1.00 24.01 H new ATOM 0 HB2 SER A 35 5.407 -8.311 -20.193 1.00 54.43 H new ATOM 0 HB3 SER A 35 5.513 -7.950 -18.481 1.00 54.43 H new ATOM 0 HG SER A 35 4.315 -10.010 -18.155 1.00 21.21 H new ATOM 551 N LYS A 36 2.683 -6.059 -20.587 1.00 45.35 N ATOM 552 CA LYS A 36 2.630 -4.832 -21.268 1.00 53.02 C ATOM 553 C LYS A 36 1.205 -4.623 -21.628 1.00 51.23 C ATOM 554 O LYS A 36 0.433 -5.589 -21.728 1.00 1.22 O ATOM 555 CB LYS A 36 3.458 -4.866 -22.575 1.00 61.43 C ATOM 556 CG LYS A 36 4.955 -5.061 -22.410 1.00 31.41 C ATOM 557 CD LYS A 36 5.646 -5.112 -23.754 1.00 53.14 C ATOM 558 CE LYS A 36 7.149 -5.270 -23.610 1.00 31.21 C ATOM 559 NZ LYS A 36 7.533 -6.501 -22.889 1.00 1.12 N ATOM 0 H LYS A 36 1.915 -6.680 -20.842 1.00 45.35 H new ATOM 0 HA LYS A 36 3.036 -4.041 -20.637 1.00 53.02 H new ATOM 0 HB2 LYS A 36 3.074 -5.669 -23.204 1.00 61.43 H new ATOM 0 HB3 LYS A 36 3.290 -3.933 -23.112 1.00 61.43 H new ATOM 0 HG2 LYS A 36 5.368 -4.246 -21.815 1.00 31.41 H new ATOM 0 HG3 LYS A 36 5.147 -5.984 -21.863 1.00 31.41 H new ATOM 0 HD2 LYS A 36 5.247 -5.943 -24.336 1.00 53.14 H new ATOM 0 HD3 LYS A 36 5.428 -4.200 -24.310 1.00 53.14 H new ATOM 0 HE2 LYS A 36 7.605 -5.278 -24.600 1.00 31.21 H new ATOM 0 HE3 LYS A 36 7.551 -4.406 -23.082 1.00 31.21 H new ATOM 0 HZ1 LYS A 36 8.560 -6.643 -22.967 1.00 1.12 H new ATOM 0 HZ2 LYS A 36 7.271 -6.412 -21.886 1.00 1.12 H new ATOM 0 HZ3 LYS A 36 7.038 -7.316 -23.305 1.00 1.12 H new ATOM 573 N GLY A 37 0.870 -3.427 -21.785 1.00 53.12 N ATOM 574 CA GLY A 37 -0.445 -3.033 -22.142 1.00 64.03 C ATOM 575 C GLY A 37 -0.676 -1.696 -21.576 1.00 21.40 C ATOM 576 O GLY A 37 0.281 -1.071 -21.076 1.00 4.02 O ATOM 0 H GLY A 37 1.515 -2.646 -21.669 1.00 53.12 H new ATOM 0 HA2 GLY A 37 -0.559 -3.015 -23.226 1.00 64.03 H new ATOM 0 HA3 GLY A 37 -1.176 -3.744 -21.757 1.00 64.03 H new ATOM 580 N ASP A 38 -1.870 -1.222 -21.614 1.00 45.44 N ATOM 581 CA ASP A 38 -2.117 0.051 -21.029 1.00 3.32 C ATOM 582 C ASP A 38 -2.863 -0.176 -19.759 1.00 11.13 C ATOM 583 O ASP A 38 -3.995 -0.652 -19.768 1.00 0.34 O ATOM 584 CB ASP A 38 -2.871 0.974 -21.969 1.00 32.22 C ATOM 585 CG ASP A 38 -2.869 2.389 -21.462 1.00 60.14 C ATOM 586 OD1 ASP A 38 -1.797 3.040 -21.536 1.00 41.02 O ATOM 587 OD2 ASP A 38 -3.897 2.876 -20.991 1.00 53.50 O ATOM 0 H ASP A 38 -2.677 -1.683 -22.034 1.00 45.44 H new ATOM 0 HA ASP A 38 -1.172 0.555 -20.824 1.00 3.32 H new ATOM 0 HB2 ASP A 38 -2.416 0.939 -22.959 1.00 32.22 H new ATOM 0 HB3 ASP A 38 -3.898 0.626 -22.078 1.00 32.22 H new ATOM 592 N PHE A 39 -2.229 0.119 -18.669 1.00 60.13 N ATOM 593 CA PHE A 39 -2.790 -0.174 -17.388 1.00 75.21 C ATOM 594 C PHE A 39 -3.069 1.093 -16.633 1.00 41.34 C ATOM 595 O PHE A 39 -2.143 1.879 -16.338 1.00 41.22 O ATOM 596 CB PHE A 39 -1.843 -1.075 -16.592 1.00 72.12 C ATOM 597 CG PHE A 39 -1.515 -2.380 -17.279 1.00 24.43 C ATOM 598 CD1 PHE A 39 -2.469 -3.358 -17.408 1.00 63.25 C ATOM 599 CD2 PHE A 39 -0.253 -2.617 -17.805 1.00 50.55 C ATOM 600 CE1 PHE A 39 -2.184 -4.552 -18.036 1.00 10.51 C ATOM 601 CE2 PHE A 39 0.038 -3.809 -18.433 1.00 3.22 C ATOM 602 CZ PHE A 39 -0.930 -4.779 -18.547 1.00 10.25 C ATOM 0 H PHE A 39 -1.313 0.567 -18.641 1.00 60.13 H new ATOM 0 HA PHE A 39 -3.734 -0.700 -17.533 1.00 75.21 H new ATOM 0 HB2 PHE A 39 -0.916 -0.533 -16.402 1.00 72.12 H new ATOM 0 HB3 PHE A 39 -2.292 -1.289 -15.622 1.00 72.12 H new ATOM 0 HD1 PHE A 39 -3.459 -3.190 -17.011 1.00 63.25 H new ATOM 0 HD2 PHE A 39 0.511 -1.858 -17.721 1.00 50.55 H new ATOM 0 HE1 PHE A 39 -2.948 -5.310 -18.126 1.00 10.51 H new ATOM 0 HE2 PHE A 39 1.025 -3.981 -18.835 1.00 3.22 H new ATOM 0 HZ PHE A 39 -0.705 -5.715 -19.036 1.00 10.25 H new ATOM 612 N LEU A 40 -4.322 1.298 -16.312 1.00 3.33 N ATOM 613 CA LEU A 40 -4.734 2.486 -15.606 1.00 24.31 C ATOM 614 C LEU A 40 -5.387 2.105 -14.289 1.00 63.04 C ATOM 615 O LEU A 40 -6.350 1.338 -14.256 1.00 31.10 O ATOM 616 CB LEU A 40 -5.695 3.328 -16.443 1.00 71.04 C ATOM 617 CG LEU A 40 -5.197 3.803 -17.818 1.00 34.52 C ATOM 618 CD1 LEU A 40 -6.279 4.601 -18.523 1.00 41.11 C ATOM 619 CD2 LEU A 40 -3.935 4.641 -17.681 1.00 64.51 C ATOM 0 H LEU A 40 -5.080 0.652 -16.531 1.00 3.33 H new ATOM 0 HA LEU A 40 -3.846 3.087 -15.410 1.00 24.31 H new ATOM 0 HB2 LEU A 40 -6.606 2.750 -16.595 1.00 71.04 H new ATOM 0 HB3 LEU A 40 -5.969 4.208 -15.860 1.00 71.04 H new ATOM 0 HG LEU A 40 -4.960 2.922 -18.415 1.00 34.52 H new ATOM 0 HD11 LEU A 40 -5.913 4.931 -19.495 1.00 41.11 H new ATOM 0 HD12 LEU A 40 -7.161 3.976 -18.661 1.00 41.11 H new ATOM 0 HD13 LEU A 40 -6.541 5.470 -17.920 1.00 41.11 H new ATOM 0 HD21 LEU A 40 -3.604 4.964 -18.668 1.00 64.51 H new ATOM 0 HD22 LEU A 40 -4.144 5.515 -17.064 1.00 64.51 H new ATOM 0 HD23 LEU A 40 -3.152 4.045 -17.213 1.00 64.51 H new ATOM 631 N ILE A 41 -4.870 2.633 -13.219 1.00 35.00 N ATOM 632 CA ILE A 41 -5.344 2.298 -11.904 1.00 64.14 C ATOM 633 C ILE A 41 -6.068 3.479 -11.282 1.00 73.01 C ATOM 634 O ILE A 41 -5.660 4.615 -11.448 1.00 0.50 O ATOM 635 CB ILE A 41 -4.171 1.827 -11.001 1.00 51.33 C ATOM 636 CG1 ILE A 41 -3.466 0.645 -11.694 1.00 62.23 C ATOM 637 CG2 ILE A 41 -4.667 1.445 -9.604 1.00 51.00 C ATOM 638 CD1 ILE A 41 -2.412 -0.049 -10.887 1.00 74.00 C ATOM 0 H ILE A 41 -4.107 3.309 -13.231 1.00 35.00 H new ATOM 0 HA ILE A 41 -6.052 1.474 -11.993 1.00 64.14 H new ATOM 0 HB ILE A 41 -3.461 2.642 -10.866 1.00 51.33 H new ATOM 0 HG12 ILE A 41 -4.221 -0.088 -11.978 1.00 62.23 H new ATOM 0 HG13 ILE A 41 -3.011 1.008 -12.616 1.00 62.23 H new ATOM 0 HG21 ILE A 41 -3.824 1.119 -8.995 1.00 51.00 H new ATOM 0 HG22 ILE A 41 -5.140 2.309 -9.137 1.00 51.00 H new ATOM 0 HG23 ILE A 41 -5.391 0.634 -9.684 1.00 51.00 H new ATOM 0 HD11 ILE A 41 -1.983 -0.863 -11.472 1.00 74.00 H new ATOM 0 HD12 ILE A 41 -1.628 0.661 -10.625 1.00 74.00 H new ATOM 0 HD13 ILE A 41 -2.857 -0.451 -9.977 1.00 74.00 H new ATOM 650 N ARG A 42 -7.155 3.199 -10.599 1.00 53.12 N ATOM 651 CA ARG A 42 -7.955 4.218 -9.972 1.00 34.34 C ATOM 652 C ARG A 42 -7.198 4.788 -8.802 1.00 12.21 C ATOM 653 O ARG A 42 -6.743 4.055 -7.917 1.00 63.25 O ATOM 654 CB ARG A 42 -9.272 3.638 -9.489 1.00 51.45 C ATOM 655 CG ARG A 42 -10.345 4.667 -9.155 1.00 12.05 C ATOM 656 CD ARG A 42 -10.736 5.448 -10.393 1.00 14.31 C ATOM 657 NE ARG A 42 -12.085 5.975 -10.338 1.00 13.40 N ATOM 658 CZ ARG A 42 -12.658 6.652 -11.338 1.00 43.12 C ATOM 659 NH1 ARG A 42 -11.968 6.901 -12.449 1.00 14.04 N ATOM 660 NH2 ARG A 42 -13.903 7.077 -11.227 1.00 51.42 N ATOM 0 H ARG A 42 -7.508 2.252 -10.464 1.00 53.12 H new ATOM 0 HA ARG A 42 -8.166 5.002 -10.699 1.00 34.34 H new ATOM 0 HB2 ARG A 42 -9.659 2.967 -10.256 1.00 51.45 H new ATOM 0 HB3 ARG A 42 -9.082 3.033 -8.603 1.00 51.45 H new ATOM 0 HG2 ARG A 42 -11.221 4.167 -8.742 1.00 12.05 H new ATOM 0 HG3 ARG A 42 -9.977 5.349 -8.389 1.00 12.05 H new ATOM 0 HD2 ARG A 42 -10.037 6.273 -10.529 1.00 14.31 H new ATOM 0 HD3 ARG A 42 -10.641 4.802 -11.266 1.00 14.31 H new ATOM 0 HE ARG A 42 -12.628 5.821 -9.488 1.00 13.40 H new ATOM 0 HH11 ARG A 42 -11.005 6.575 -12.535 1.00 14.04 H new ATOM 0 HH12 ARG A 42 -12.402 7.417 -13.214 1.00 14.04 H new ATOM 0 HH21 ARG A 42 -14.432 6.889 -10.375 1.00 51.42 H new ATOM 0 HH22 ARG A 42 -14.336 7.593 -11.993 1.00 51.42 H new ATOM 674 N THR A 43 -7.079 6.054 -8.792 1.00 3.32 N ATOM 675 CA THR A 43 -6.345 6.737 -7.794 1.00 13.32 C ATOM 676 C THR A 43 -7.215 7.856 -7.243 1.00 54.43 C ATOM 677 O THR A 43 -8.137 8.324 -7.931 1.00 2.31 O ATOM 678 CB THR A 43 -4.999 7.299 -8.365 1.00 51.01 C ATOM 679 OG1 THR A 43 -4.165 7.781 -7.314 1.00 4.12 O ATOM 680 CG2 THR A 43 -5.241 8.432 -9.350 1.00 61.31 C ATOM 0 H THR A 43 -7.498 6.666 -9.493 1.00 3.32 H new ATOM 0 HA THR A 43 -6.083 6.045 -6.994 1.00 13.32 H new ATOM 0 HB THR A 43 -4.506 6.475 -8.881 1.00 51.01 H new ATOM 0 HG1 THR A 43 -3.329 8.126 -7.692 1.00 4.12 H new ATOM 0 HG21 THR A 43 -4.285 8.798 -9.726 1.00 61.31 H new ATOM 0 HG22 THR A 43 -5.843 8.068 -10.182 1.00 61.31 H new ATOM 0 HG23 THR A 43 -5.768 9.244 -8.849 1.00 61.31 H new ATOM 688 N LYS A 44 -6.965 8.252 -6.029 1.00 23.34 N ATOM 689 CA LYS A 44 -7.719 9.309 -5.414 1.00 54.50 C ATOM 690 C LYS A 44 -6.834 10.519 -5.373 1.00 53.05 C ATOM 691 O LYS A 44 -5.843 10.566 -4.645 1.00 41.00 O ATOM 692 CB LYS A 44 -8.140 8.906 -3.997 1.00 44.03 C ATOM 693 CG LYS A 44 -8.991 7.655 -3.960 1.00 31.04 C ATOM 694 CD LYS A 44 -9.378 7.265 -2.555 1.00 64.43 C ATOM 695 CE LYS A 44 -10.207 5.994 -2.578 1.00 43.32 C ATOM 696 NZ LYS A 44 -10.616 5.548 -1.231 1.00 40.51 N ATOM 0 H LYS A 44 -6.235 7.854 -5.438 1.00 23.34 H new ATOM 0 HA LYS A 44 -8.627 9.516 -5.980 1.00 54.50 H new ATOM 0 HB2 LYS A 44 -7.248 8.749 -3.391 1.00 44.03 H new ATOM 0 HB3 LYS A 44 -8.693 9.727 -3.542 1.00 44.03 H new ATOM 0 HG2 LYS A 44 -9.893 7.814 -4.551 1.00 31.04 H new ATOM 0 HG3 LYS A 44 -8.446 6.834 -4.425 1.00 31.04 H new ATOM 0 HD2 LYS A 44 -8.483 7.114 -1.951 1.00 64.43 H new ATOM 0 HD3 LYS A 44 -9.945 8.070 -2.089 1.00 64.43 H new ATOM 0 HE2 LYS A 44 -11.097 6.158 -3.186 1.00 43.32 H new ATOM 0 HE3 LYS A 44 -9.634 5.201 -3.059 1.00 43.32 H new ATOM 0 HZ1 LYS A 44 -10.983 4.576 -1.284 1.00 40.51 H new ATOM 0 HZ2 LYS A 44 -9.796 5.575 -0.592 1.00 40.51 H new ATOM 0 HZ3 LYS A 44 -11.358 6.179 -0.867 1.00 40.51 H new ATOM 710 N LYS A 45 -7.178 11.473 -6.174 1.00 73.13 N ATOM 711 CA LYS A 45 -6.380 12.636 -6.374 1.00 3.34 C ATOM 712 C LYS A 45 -7.234 13.877 -6.241 1.00 13.45 C ATOM 713 O LYS A 45 -8.133 14.116 -7.064 1.00 23.41 O ATOM 714 CB LYS A 45 -5.764 12.560 -7.774 1.00 51.11 C ATOM 715 CG LYS A 45 -4.844 13.684 -8.138 1.00 11.20 C ATOM 716 CD LYS A 45 -4.220 13.430 -9.494 1.00 53.13 C ATOM 717 CE LYS A 45 -3.251 12.249 -9.481 1.00 23.13 C ATOM 718 NZ LYS A 45 -2.634 12.025 -10.804 1.00 45.24 N ATOM 0 H LYS A 45 -8.040 11.465 -6.719 1.00 73.13 H new ATOM 0 HA LYS A 45 -5.590 12.686 -5.624 1.00 3.34 H new ATOM 0 HB2 LYS A 45 -5.215 11.622 -7.859 1.00 51.11 H new ATOM 0 HB3 LYS A 45 -6.572 12.524 -8.505 1.00 51.11 H new ATOM 0 HG2 LYS A 45 -5.395 14.624 -8.153 1.00 11.20 H new ATOM 0 HG3 LYS A 45 -4.064 13.784 -7.383 1.00 11.20 H new ATOM 0 HD2 LYS A 45 -5.008 13.241 -10.223 1.00 53.13 H new ATOM 0 HD3 LYS A 45 -3.692 14.326 -9.821 1.00 53.13 H new ATOM 0 HE2 LYS A 45 -2.470 12.429 -8.742 1.00 23.13 H new ATOM 0 HE3 LYS A 45 -3.781 11.348 -9.171 1.00 23.13 H new ATOM 0 HZ1 LYS A 45 -2.176 11.091 -10.820 1.00 45.24 H new ATOM 0 HZ2 LYS A 45 -3.368 12.064 -11.540 1.00 45.24 H new ATOM 0 HZ3 LYS A 45 -1.923 12.762 -10.985 1.00 45.24 H new ATOM 732 N ASP A 46 -6.981 14.640 -5.183 1.00 23.13 N ATOM 733 CA ASP A 46 -7.693 15.904 -4.900 1.00 51.40 C ATOM 734 C ASP A 46 -9.181 15.674 -4.708 1.00 2.35 C ATOM 735 O ASP A 46 -9.999 16.554 -4.987 1.00 41.11 O ATOM 736 CB ASP A 46 -7.465 16.953 -6.011 1.00 34.33 C ATOM 737 CG ASP A 46 -6.035 17.411 -6.129 1.00 40.45 C ATOM 738 OD1 ASP A 46 -5.599 18.264 -5.324 1.00 15.53 O ATOM 739 OD2 ASP A 46 -5.332 16.965 -7.045 1.00 43.20 O ATOM 0 H ASP A 46 -6.273 14.407 -4.487 1.00 23.13 H new ATOM 0 HA ASP A 46 -7.277 16.292 -3.970 1.00 51.40 H new ATOM 0 HB2 ASP A 46 -7.782 16.533 -6.965 1.00 34.33 H new ATOM 0 HB3 ASP A 46 -8.099 17.818 -5.817 1.00 34.33 H new ATOM 744 N GLY A 47 -9.525 14.525 -4.174 1.00 60.23 N ATOM 745 CA GLY A 47 -10.914 14.206 -3.927 1.00 30.02 C ATOM 746 C GLY A 47 -11.599 13.549 -5.110 1.00 11.51 C ATOM 747 O GLY A 47 -12.777 13.173 -5.024 1.00 13.24 O ATOM 0 H GLY A 47 -8.865 13.796 -3.902 1.00 60.23 H new ATOM 0 HA2 GLY A 47 -10.979 13.543 -3.064 1.00 30.02 H new ATOM 0 HA3 GLY A 47 -11.449 15.120 -3.668 1.00 30.02 H new ATOM 751 N LYS A 48 -10.881 13.403 -6.197 1.00 34.45 N ATOM 752 CA LYS A 48 -11.412 12.774 -7.393 1.00 11.41 C ATOM 753 C LYS A 48 -10.775 11.432 -7.608 1.00 23.23 C ATOM 754 O LYS A 48 -9.569 11.280 -7.429 1.00 20.34 O ATOM 755 CB LYS A 48 -11.108 13.618 -8.628 1.00 21.03 C ATOM 756 CG LYS A 48 -11.782 14.969 -8.684 1.00 52.30 C ATOM 757 CD LYS A 48 -11.301 15.767 -9.891 1.00 51.32 C ATOM 758 CE LYS A 48 -11.549 15.033 -11.206 1.00 15.01 C ATOM 759 NZ LYS A 48 -11.048 15.798 -12.361 1.00 60.40 N ATOM 0 H LYS A 48 -9.913 13.714 -6.283 1.00 34.45 H new ATOM 0 HA LYS A 48 -12.488 12.674 -7.253 1.00 11.41 H new ATOM 0 HB2 LYS A 48 -10.030 13.768 -8.686 1.00 21.03 H new ATOM 0 HB3 LYS A 48 -11.399 13.051 -9.513 1.00 21.03 H new ATOM 0 HG2 LYS A 48 -12.863 14.839 -8.736 1.00 52.30 H new ATOM 0 HG3 LYS A 48 -11.572 15.523 -7.769 1.00 52.30 H new ATOM 0 HD2 LYS A 48 -11.810 16.730 -9.913 1.00 51.32 H new ATOM 0 HD3 LYS A 48 -10.236 15.972 -9.787 1.00 51.32 H new ATOM 0 HE2 LYS A 48 -11.062 14.059 -11.176 1.00 15.01 H new ATOM 0 HE3 LYS A 48 -12.617 14.852 -11.326 1.00 15.01 H new ATOM 0 HZ1 LYS A 48 -11.234 15.268 -13.236 1.00 60.40 H new ATOM 0 HZ2 LYS A 48 -11.531 16.718 -12.404 1.00 60.40 H new ATOM 0 HZ3 LYS A 48 -10.024 15.949 -12.259 1.00 60.40 H new ATOM 773 N GLN A 49 -11.556 10.463 -7.985 1.00 73.44 N ATOM 774 CA GLN A 49 -11.016 9.229 -8.382 1.00 45.44 C ATOM 775 C GLN A 49 -10.835 9.275 -9.863 1.00 72.05 C ATOM 776 O GLN A 49 -11.775 9.560 -10.612 1.00 52.20 O ATOM 777 CB GLN A 49 -11.862 8.044 -7.952 1.00 43.03 C ATOM 778 CG GLN A 49 -11.940 7.872 -6.455 1.00 52.01 C ATOM 779 CD GLN A 49 -12.681 6.623 -6.043 1.00 63.34 C ATOM 780 OE1 GLN A 49 -12.686 5.617 -6.758 1.00 12.01 O ATOM 781 NE2 GLN A 49 -13.298 6.665 -4.894 1.00 72.22 N ATOM 0 H GLN A 49 -12.574 10.520 -8.020 1.00 73.44 H new ATOM 0 HA GLN A 49 -10.058 9.078 -7.884 1.00 45.44 H new ATOM 0 HB2 GLN A 49 -12.870 8.164 -8.349 1.00 43.03 H new ATOM 0 HB3 GLN A 49 -11.452 7.136 -8.393 1.00 43.03 H new ATOM 0 HG2 GLN A 49 -10.930 7.841 -6.045 1.00 52.01 H new ATOM 0 HG3 GLN A 49 -12.434 8.741 -6.020 1.00 52.01 H new ATOM 0 HE21 GLN A 49 -13.271 7.515 -4.331 1.00 72.22 H new ATOM 0 HE22 GLN A 49 -13.807 5.848 -4.559 1.00 72.22 H new ATOM 790 N VAL A 50 -9.644 9.038 -10.275 1.00 11.34 N ATOM 791 CA VAL A 50 -9.266 9.128 -11.662 1.00 72.12 C ATOM 792 C VAL A 50 -8.398 7.957 -12.013 1.00 5.12 C ATOM 793 O VAL A 50 -8.026 7.180 -11.135 1.00 51.31 O ATOM 794 CB VAL A 50 -8.510 10.463 -11.988 1.00 1.11 C ATOM 795 CG1 VAL A 50 -9.417 11.673 -11.800 1.00 25.51 C ATOM 796 CG2 VAL A 50 -7.262 10.611 -11.125 1.00 44.40 C ATOM 0 H VAL A 50 -8.879 8.770 -9.656 1.00 11.34 H new ATOM 0 HA VAL A 50 -10.179 9.119 -12.258 1.00 72.12 H new ATOM 0 HB VAL A 50 -8.208 10.416 -13.034 1.00 1.11 H new ATOM 0 HG11 VAL A 50 -8.863 12.582 -12.034 1.00 25.51 H new ATOM 0 HG12 VAL A 50 -10.277 11.590 -12.465 1.00 25.51 H new ATOM 0 HG13 VAL A 50 -9.761 11.713 -10.766 1.00 25.51 H new ATOM 0 HG21 VAL A 50 -6.757 11.545 -11.372 1.00 44.40 H new ATOM 0 HG22 VAL A 50 -7.546 10.619 -10.073 1.00 44.40 H new ATOM 0 HG23 VAL A 50 -6.589 9.774 -11.312 1.00 44.40 H new ATOM 806 N TRP A 51 -8.094 7.808 -13.257 1.00 52.32 N ATOM 807 CA TRP A 51 -7.256 6.739 -13.694 1.00 50.14 C ATOM 808 C TRP A 51 -5.821 7.229 -13.800 1.00 54.22 C ATOM 809 O TRP A 51 -5.549 8.258 -14.423 1.00 5.20 O ATOM 810 CB TRP A 51 -7.742 6.186 -15.033 1.00 53.30 C ATOM 811 CG TRP A 51 -9.115 5.609 -15.000 1.00 15.34 C ATOM 812 CD1 TRP A 51 -10.178 6.074 -15.670 1.00 15.12 C ATOM 813 CD2 TRP A 51 -9.569 4.466 -14.253 1.00 63.44 C ATOM 814 NE1 TRP A 51 -11.282 5.300 -15.417 1.00 62.42 N ATOM 815 CE2 TRP A 51 -10.935 4.306 -14.543 1.00 3.20 C ATOM 816 CE3 TRP A 51 -8.958 3.563 -13.374 1.00 25.24 C ATOM 817 CZ2 TRP A 51 -11.702 3.284 -13.988 1.00 55.34 C ATOM 818 CZ3 TRP A 51 -9.724 2.552 -12.826 1.00 42.21 C ATOM 819 CH2 TRP A 51 -11.080 2.419 -13.134 1.00 11.10 C ATOM 0 H TRP A 51 -8.419 8.424 -14.003 1.00 52.32 H new ATOM 0 HA TRP A 51 -7.300 5.930 -12.965 1.00 50.14 H new ATOM 0 HB2 TRP A 51 -7.715 6.985 -15.773 1.00 53.30 H new ATOM 0 HB3 TRP A 51 -7.046 5.417 -15.369 1.00 53.30 H new ATOM 0 HD1 TRP A 51 -10.167 6.937 -16.319 1.00 15.12 H new ATOM 0 HE1 TRP A 51 -12.210 5.442 -15.815 1.00 62.42 H new ATOM 0 HE3 TRP A 51 -7.910 3.655 -13.130 1.00 25.24 H new ATOM 0 HZ2 TRP A 51 -12.751 3.180 -14.225 1.00 55.34 H new ATOM 0 HZ3 TRP A 51 -9.265 1.850 -12.146 1.00 42.21 H new ATOM 0 HH2 TRP A 51 -11.648 1.616 -12.688 1.00 11.10 H new ATOM 830 N GLU A 52 -4.931 6.504 -13.192 1.00 21.35 N ATOM 831 CA GLU A 52 -3.535 6.839 -13.160 1.00 24.30 C ATOM 832 C GLU A 52 -2.779 5.767 -13.914 1.00 31.21 C ATOM 833 O GLU A 52 -3.124 4.591 -13.830 1.00 61.41 O ATOM 834 CB GLU A 52 -3.060 6.841 -11.704 1.00 64.45 C ATOM 835 CG GLU A 52 -1.642 7.331 -11.496 1.00 75.42 C ATOM 836 CD GLU A 52 -1.495 8.791 -11.825 1.00 42.15 C ATOM 837 OE1 GLU A 52 -1.304 9.132 -13.016 1.00 65.30 O ATOM 838 OE2 GLU A 52 -1.573 9.621 -10.900 1.00 43.11 O ATOM 0 H GLU A 52 -5.158 5.644 -12.693 1.00 21.35 H new ATOM 0 HA GLU A 52 -3.366 7.818 -13.608 1.00 24.30 H new ATOM 0 HB2 GLU A 52 -3.734 7.466 -11.118 1.00 64.45 H new ATOM 0 HB3 GLU A 52 -3.140 5.828 -11.310 1.00 64.45 H new ATOM 0 HG2 GLU A 52 -1.349 7.162 -10.460 1.00 75.42 H new ATOM 0 HG3 GLU A 52 -0.963 6.749 -12.119 1.00 75.42 H new ATOM 845 N ALA A 53 -1.780 6.158 -14.644 1.00 51.55 N ATOM 846 CA ALA A 53 -0.993 5.216 -15.389 1.00 51.22 C ATOM 847 C ALA A 53 -0.095 4.420 -14.458 1.00 15.02 C ATOM 848 O ALA A 53 0.544 4.986 -13.563 1.00 74.34 O ATOM 849 CB ALA A 53 -0.162 5.934 -16.436 1.00 72.43 C ATOM 0 H ALA A 53 -1.486 7.130 -14.742 1.00 51.55 H new ATOM 0 HA ALA A 53 -1.668 4.525 -15.894 1.00 51.22 H new ATOM 0 HB1 ALA A 53 0.429 5.207 -16.993 1.00 72.43 H new ATOM 0 HB2 ALA A 53 -0.821 6.467 -17.121 1.00 72.43 H new ATOM 0 HB3 ALA A 53 0.504 6.645 -15.947 1.00 72.43 H new ATOM 855 N ALA A 54 -0.082 3.109 -14.636 1.00 21.12 N ATOM 856 CA ALA A 54 0.796 2.231 -13.883 1.00 63.45 C ATOM 857 C ALA A 54 2.270 2.556 -14.170 1.00 51.43 C ATOM 858 O ALA A 54 2.592 3.268 -15.127 1.00 61.34 O ATOM 859 CB ALA A 54 0.498 0.780 -14.223 1.00 43.05 C ATOM 0 H ALA A 54 -0.679 2.625 -15.306 1.00 21.12 H new ATOM 0 HA ALA A 54 0.614 2.390 -12.820 1.00 63.45 H new ATOM 0 HB1 ALA A 54 1.161 0.129 -13.653 1.00 43.05 H new ATOM 0 HB2 ALA A 54 -0.538 0.553 -13.971 1.00 43.05 H new ATOM 0 HB3 ALA A 54 0.656 0.616 -15.289 1.00 43.05 H new ATOM 865 N SER A 55 3.143 2.040 -13.359 1.00 24.50 N ATOM 866 CA SER A 55 4.552 2.283 -13.494 1.00 72.34 C ATOM 867 C SER A 55 5.254 0.952 -13.602 1.00 24.22 C ATOM 868 O SER A 55 4.712 -0.062 -13.137 1.00 44.43 O ATOM 869 CB SER A 55 5.060 3.064 -12.267 1.00 55.44 C ATOM 870 OG SER A 55 6.451 3.320 -12.347 1.00 52.41 O ATOM 0 H SER A 55 2.898 1.433 -12.577 1.00 24.50 H new ATOM 0 HA SER A 55 4.755 2.876 -14.386 1.00 72.34 H new ATOM 0 HB2 SER A 55 4.520 4.008 -12.188 1.00 55.44 H new ATOM 0 HB3 SER A 55 4.846 2.497 -11.361 1.00 55.44 H new ATOM 0 HG SER A 55 6.920 2.794 -11.666 1.00 52.41 H new ATOM 876 N LYS A 56 6.448 0.940 -14.205 1.00 72.14 N ATOM 877 CA LYS A 56 7.230 -0.291 -14.380 1.00 52.12 C ATOM 878 C LYS A 56 7.465 -1.007 -13.051 1.00 13.35 C ATOM 879 O LYS A 56 7.515 -2.228 -13.002 1.00 22.34 O ATOM 880 CB LYS A 56 8.579 -0.067 -15.139 1.00 75.25 C ATOM 881 CG LYS A 56 9.644 0.833 -14.466 1.00 23.34 C ATOM 882 CD LYS A 56 9.217 2.289 -14.361 1.00 61.11 C ATOM 883 CE LYS A 56 10.329 3.156 -13.789 1.00 52.52 C ATOM 884 NZ LYS A 56 9.923 4.576 -13.691 1.00 35.20 N ATOM 0 H LYS A 56 6.897 1.774 -14.583 1.00 72.14 H new ATOM 0 HA LYS A 56 6.621 -0.936 -15.014 1.00 52.12 H new ATOM 0 HB2 LYS A 56 9.029 -1.043 -15.317 1.00 75.25 H new ATOM 0 HB3 LYS A 56 8.348 0.360 -16.115 1.00 75.25 H new ATOM 0 HG2 LYS A 56 9.856 0.450 -13.468 1.00 23.34 H new ATOM 0 HG3 LYS A 56 10.572 0.773 -15.034 1.00 23.34 H new ATOM 0 HD2 LYS A 56 8.936 2.659 -15.347 1.00 61.11 H new ATOM 0 HD3 LYS A 56 8.333 2.365 -13.728 1.00 61.11 H new ATOM 0 HE2 LYS A 56 10.605 2.788 -12.801 1.00 52.52 H new ATOM 0 HE3 LYS A 56 11.215 3.074 -14.419 1.00 52.52 H new ATOM 0 HZ1 LYS A 56 10.707 5.135 -13.297 1.00 35.20 H new ATOM 0 HZ2 LYS A 56 9.683 4.935 -14.637 1.00 35.20 H new ATOM 0 HZ3 LYS A 56 9.093 4.658 -13.070 1.00 35.20 H new ATOM 898 N THR A 57 7.562 -0.241 -11.981 1.00 23.04 N ATOM 899 CA THR A 57 7.740 -0.786 -10.661 1.00 5.24 C ATOM 900 C THR A 57 6.500 -1.571 -10.215 1.00 21.40 C ATOM 901 O THR A 57 6.596 -2.746 -9.845 1.00 5.52 O ATOM 902 CB THR A 57 8.061 0.337 -9.671 1.00 72.31 C ATOM 903 OG1 THR A 57 7.140 1.427 -9.891 1.00 14.32 O ATOM 904 CG2 THR A 57 9.490 0.822 -9.854 1.00 2.22 C ATOM 0 H THR A 57 7.519 0.778 -12.009 1.00 23.04 H new ATOM 0 HA THR A 57 8.578 -1.483 -10.684 1.00 5.24 H new ATOM 0 HB THR A 57 7.959 -0.040 -8.653 1.00 72.31 H new ATOM 0 HG1 THR A 57 7.335 2.152 -9.261 1.00 14.32 H new ATOM 0 HG21 THR A 57 9.698 1.620 -9.141 1.00 2.22 H new ATOM 0 HG22 THR A 57 10.179 -0.005 -9.684 1.00 2.22 H new ATOM 0 HG23 THR A 57 9.619 1.199 -10.868 1.00 2.22 H new ATOM 912 N ALA A 58 5.341 -0.932 -10.294 1.00 55.42 N ATOM 913 CA ALA A 58 4.080 -1.554 -9.910 1.00 42.32 C ATOM 914 C ALA A 58 3.757 -2.729 -10.825 1.00 41.41 C ATOM 915 O ALA A 58 3.204 -3.743 -10.388 1.00 2.12 O ATOM 916 CB ALA A 58 2.955 -0.528 -9.917 1.00 70.25 C ATOM 0 H ALA A 58 5.248 0.028 -10.625 1.00 55.42 H new ATOM 0 HA ALA A 58 4.180 -1.939 -8.895 1.00 42.32 H new ATOM 0 HB1 ALA A 58 2.021 -1.010 -9.628 1.00 70.25 H new ATOM 0 HB2 ALA A 58 3.186 0.270 -9.211 1.00 70.25 H new ATOM 0 HB3 ALA A 58 2.852 -0.108 -10.918 1.00 70.25 H new ATOM 922 N LEU A 59 4.115 -2.595 -12.090 1.00 21.14 N ATOM 923 CA LEU A 59 3.936 -3.649 -13.053 1.00 55.02 C ATOM 924 C LEU A 59 4.823 -4.844 -12.700 1.00 4.12 C ATOM 925 O LEU A 59 4.360 -5.979 -12.672 1.00 22.33 O ATOM 926 CB LEU A 59 4.238 -3.135 -14.468 1.00 4.21 C ATOM 927 CG LEU A 59 3.274 -2.084 -15.034 1.00 45.34 C ATOM 928 CD1 LEU A 59 3.826 -1.508 -16.324 1.00 74.43 C ATOM 929 CD2 LEU A 59 1.930 -2.716 -15.321 1.00 63.42 C ATOM 0 H LEU A 59 4.538 -1.749 -12.471 1.00 21.14 H new ATOM 0 HA LEU A 59 2.897 -3.979 -13.028 1.00 55.02 H new ATOM 0 HB2 LEU A 59 5.243 -2.713 -14.471 1.00 4.21 H new ATOM 0 HB3 LEU A 59 4.249 -3.988 -15.146 1.00 4.21 H new ATOM 0 HG LEU A 59 3.160 -1.290 -14.296 1.00 45.34 H new ATOM 0 HD11 LEU A 59 3.133 -0.763 -16.716 1.00 74.43 H new ATOM 0 HD12 LEU A 59 4.791 -1.039 -16.130 1.00 74.43 H new ATOM 0 HD13 LEU A 59 3.952 -2.307 -17.055 1.00 74.43 H new ATOM 0 HD21 LEU A 59 1.252 -1.963 -15.722 1.00 63.42 H new ATOM 0 HD22 LEU A 59 2.053 -3.518 -16.049 1.00 63.42 H new ATOM 0 HD23 LEU A 59 1.515 -3.123 -14.399 1.00 63.42 H new ATOM 941 N LYS A 60 6.086 -4.574 -12.385 1.00 61.23 N ATOM 942 CA LYS A 60 7.035 -5.614 -12.020 1.00 31.31 C ATOM 943 C LYS A 60 6.592 -6.313 -10.733 1.00 11.20 C ATOM 944 O LYS A 60 6.767 -7.517 -10.579 1.00 35.13 O ATOM 945 CB LYS A 60 8.419 -5.000 -11.853 1.00 32.21 C ATOM 946 CG LYS A 60 9.520 -5.991 -11.587 1.00 24.00 C ATOM 947 CD LYS A 60 10.842 -5.286 -11.491 1.00 31.13 C ATOM 948 CE LYS A 60 11.984 -6.267 -11.301 1.00 24.51 C ATOM 949 NZ LYS A 60 13.285 -5.581 -11.195 1.00 45.34 N ATOM 0 H LYS A 60 6.477 -3.632 -12.376 1.00 61.23 H new ATOM 0 HA LYS A 60 7.073 -6.362 -12.812 1.00 31.31 H new ATOM 0 HB2 LYS A 60 8.664 -4.439 -12.755 1.00 32.21 H new ATOM 0 HB3 LYS A 60 8.387 -4.284 -11.032 1.00 32.21 H new ATOM 0 HG2 LYS A 60 9.319 -6.529 -10.661 1.00 24.00 H new ATOM 0 HG3 LYS A 60 9.552 -6.732 -12.385 1.00 24.00 H new ATOM 0 HD2 LYS A 60 11.010 -4.701 -12.395 1.00 31.13 H new ATOM 0 HD3 LYS A 60 10.821 -4.584 -10.657 1.00 31.13 H new ATOM 0 HE2 LYS A 60 11.810 -6.857 -10.401 1.00 24.51 H new ATOM 0 HE3 LYS A 60 12.008 -6.963 -12.139 1.00 24.51 H new ATOM 0 HZ1 LYS A 60 14.039 -6.285 -11.066 1.00 45.34 H new ATOM 0 HZ2 LYS A 60 13.463 -5.038 -12.064 1.00 45.34 H new ATOM 0 HZ3 LYS A 60 13.271 -4.935 -10.380 1.00 45.34 H new ATOM 963 N LYS A 61 5.993 -5.539 -9.836 1.00 31.42 N ATOM 964 CA LYS A 61 5.454 -6.020 -8.579 1.00 40.20 C ATOM 965 C LYS A 61 4.310 -6.999 -8.829 1.00 53.42 C ATOM 966 O LYS A 61 4.148 -7.991 -8.114 1.00 5.35 O ATOM 967 CB LYS A 61 4.932 -4.806 -7.828 1.00 1.12 C ATOM 968 CG LYS A 61 4.215 -5.067 -6.532 1.00 51.35 C ATOM 969 CD LYS A 61 3.667 -3.762 -6.018 1.00 41.35 C ATOM 970 CE LYS A 61 2.859 -3.934 -4.746 1.00 32.52 C ATOM 971 NZ LYS A 61 2.276 -2.652 -4.299 1.00 34.15 N ATOM 0 H LYS A 61 5.868 -4.536 -9.970 1.00 31.42 H new ATOM 0 HA LYS A 61 6.222 -6.541 -8.007 1.00 40.20 H new ATOM 0 HB2 LYS A 61 5.774 -4.145 -7.623 1.00 1.12 H new ATOM 0 HB3 LYS A 61 4.255 -4.264 -8.488 1.00 1.12 H new ATOM 0 HG2 LYS A 61 3.408 -5.783 -6.683 1.00 51.35 H new ATOM 0 HG3 LYS A 61 4.897 -5.505 -5.803 1.00 51.35 H new ATOM 0 HD2 LYS A 61 4.491 -3.074 -5.831 1.00 41.35 H new ATOM 0 HD3 LYS A 61 3.040 -3.307 -6.785 1.00 41.35 H new ATOM 0 HE2 LYS A 61 2.062 -4.658 -4.915 1.00 32.52 H new ATOM 0 HE3 LYS A 61 3.497 -4.339 -3.960 1.00 32.52 H new ATOM 0 HZ1 LYS A 61 1.730 -2.804 -3.427 1.00 34.15 H new ATOM 0 HZ2 LYS A 61 3.039 -1.969 -4.115 1.00 34.15 H new ATOM 0 HZ3 LYS A 61 1.649 -2.279 -5.040 1.00 34.15 H new ATOM 985 N SER A 62 3.550 -6.723 -9.849 1.00 62.31 N ATOM 986 CA SER A 62 2.413 -7.512 -10.177 1.00 55.52 C ATOM 987 C SER A 62 2.837 -8.782 -10.906 1.00 35.53 C ATOM 988 O SER A 62 2.334 -9.873 -10.623 1.00 65.53 O ATOM 989 CB SER A 62 1.470 -6.664 -11.001 1.00 43.23 C ATOM 990 OG SER A 62 1.102 -5.498 -10.262 1.00 25.42 O ATOM 0 H SER A 62 3.709 -5.936 -10.478 1.00 62.31 H new ATOM 0 HA SER A 62 1.895 -7.834 -9.273 1.00 55.52 H new ATOM 0 HB2 SER A 62 1.948 -6.377 -11.938 1.00 43.23 H new ATOM 0 HB3 SER A 62 0.580 -7.238 -11.260 1.00 43.23 H new ATOM 0 HG SER A 62 1.836 -4.850 -10.287 1.00 25.42 H new ATOM 996 N TRP A 63 3.804 -8.647 -11.799 1.00 32.54 N ATOM 997 CA TRP A 63 4.316 -9.763 -12.527 1.00 2.34 C ATOM 998 C TRP A 63 5.101 -10.679 -11.584 1.00 10.34 C ATOM 999 O TRP A 63 5.227 -11.875 -11.817 1.00 21.33 O ATOM 1000 CB TRP A 63 5.155 -9.303 -13.711 1.00 53.01 C ATOM 1001 CG TRP A 63 5.585 -10.432 -14.571 1.00 75.22 C ATOM 1002 CD1 TRP A 63 6.778 -11.053 -14.532 1.00 11.54 C ATOM 1003 CD2 TRP A 63 4.802 -11.095 -15.574 1.00 45.44 C ATOM 1004 NE1 TRP A 63 6.813 -12.062 -15.466 1.00 64.14 N ATOM 1005 CE2 TRP A 63 5.603 -12.109 -16.116 1.00 41.43 C ATOM 1006 CE3 TRP A 63 3.500 -10.922 -16.068 1.00 1.50 C ATOM 1007 CZ2 TRP A 63 5.151 -12.954 -17.128 1.00 44.31 C ATOM 1008 CZ3 TRP A 63 3.051 -11.763 -17.070 1.00 12.15 C ATOM 1009 CH2 TRP A 63 3.876 -12.768 -17.589 1.00 75.41 C ATOM 0 H TRP A 63 4.246 -7.757 -12.029 1.00 32.54 H new ATOM 0 HA TRP A 63 3.484 -10.336 -12.937 1.00 2.34 H new ATOM 0 HB2 TRP A 63 4.580 -8.594 -14.307 1.00 53.01 H new ATOM 0 HB3 TRP A 63 6.034 -8.773 -13.346 1.00 53.01 H new ATOM 0 HD1 TRP A 63 7.588 -10.797 -13.866 1.00 11.54 H new ATOM 0 HE1 TRP A 63 7.608 -12.675 -15.647 1.00 64.14 H new ATOM 0 HE3 TRP A 63 2.860 -10.147 -15.673 1.00 1.50 H new ATOM 0 HZ2 TRP A 63 5.785 -13.728 -17.534 1.00 44.31 H new ATOM 0 HZ3 TRP A 63 2.050 -11.643 -17.457 1.00 12.15 H new ATOM 0 HH2 TRP A 63 3.498 -13.411 -18.370 1.00 75.41 H new ATOM 1020 N LYS A 64 5.630 -10.099 -10.517 1.00 3.32 N ATOM 1021 CA LYS A 64 6.341 -10.850 -9.503 1.00 60.30 C ATOM 1022 C LYS A 64 5.460 -11.992 -8.977 1.00 14.13 C ATOM 1023 O LYS A 64 5.928 -13.125 -8.825 1.00 53.11 O ATOM 1024 CB LYS A 64 6.736 -9.919 -8.345 1.00 14.21 C ATOM 1025 CG LYS A 64 7.481 -10.589 -7.203 1.00 71.44 C ATOM 1026 CD LYS A 64 8.799 -11.171 -7.664 1.00 1.13 C ATOM 1027 CE LYS A 64 9.546 -11.806 -6.514 1.00 25.13 C ATOM 1028 NZ LYS A 64 10.835 -12.391 -6.943 1.00 13.42 N ATOM 0 H LYS A 64 5.577 -9.097 -10.333 1.00 3.32 H new ATOM 0 HA LYS A 64 7.243 -11.274 -9.945 1.00 60.30 H new ATOM 0 HB2 LYS A 64 7.357 -9.116 -8.741 1.00 14.21 H new ATOM 0 HB3 LYS A 64 5.833 -9.457 -7.947 1.00 14.21 H new ATOM 0 HG2 LYS A 64 7.661 -9.863 -6.410 1.00 71.44 H new ATOM 0 HG3 LYS A 64 6.862 -11.379 -6.778 1.00 71.44 H new ATOM 0 HD2 LYS A 64 8.620 -11.915 -8.440 1.00 1.13 H new ATOM 0 HD3 LYS A 64 9.410 -10.386 -8.110 1.00 1.13 H new ATOM 0 HE2 LYS A 64 9.727 -11.058 -5.743 1.00 25.13 H new ATOM 0 HE3 LYS A 64 8.927 -12.583 -6.065 1.00 25.13 H new ATOM 0 HZ1 LYS A 64 11.314 -12.815 -6.123 1.00 13.42 H new ATOM 0 HZ2 LYS A 64 10.662 -13.124 -7.660 1.00 13.42 H new ATOM 0 HZ3 LYS A 64 11.437 -11.646 -7.348 1.00 13.42 H new ATOM 1042 N ARG A 65 4.168 -11.698 -8.745 1.00 71.22 N ATOM 1043 CA ARG A 65 3.250 -12.717 -8.239 1.00 5.31 C ATOM 1044 C ARG A 65 2.987 -13.750 -9.321 1.00 32.34 C ATOM 1045 O ARG A 65 2.757 -14.913 -9.028 1.00 33.11 O ATOM 1046 CB ARG A 65 1.883 -12.145 -7.844 1.00 23.52 C ATOM 1047 CG ARG A 65 1.009 -13.169 -7.141 1.00 55.10 C ATOM 1048 CD ARG A 65 1.478 -13.461 -5.762 1.00 3.44 C ATOM 1049 NE ARG A 65 0.867 -14.681 -5.222 1.00 23.11 N ATOM 1050 CZ ARG A 65 0.711 -14.959 -3.930 1.00 52.43 C ATOM 1051 NH1 ARG A 65 1.081 -14.090 -3.004 1.00 71.04 N ATOM 1052 NH2 ARG A 65 0.197 -16.132 -3.574 1.00 44.34 N ATOM 0 H ARG A 65 3.749 -10.781 -8.898 1.00 71.22 H new ATOM 0 HA ARG A 65 3.730 -13.145 -7.359 1.00 5.31 H new ATOM 0 HB2 ARG A 65 2.027 -11.284 -7.191 1.00 23.52 H new ATOM 0 HB3 ARG A 65 1.371 -11.785 -8.736 1.00 23.52 H new ATOM 0 HG2 ARG A 65 -0.017 -12.803 -7.103 1.00 55.10 H new ATOM 0 HG3 ARG A 65 0.997 -14.092 -7.721 1.00 55.10 H new ATOM 0 HD2 ARG A 65 2.563 -13.568 -5.763 1.00 3.44 H new ATOM 0 HD3 ARG A 65 1.241 -12.618 -5.112 1.00 3.44 H new ATOM 0 HE ARG A 65 0.534 -15.374 -5.893 1.00 23.11 H new ATOM 0 HH11 ARG A 65 1.490 -13.197 -3.277 1.00 71.04 H new ATOM 0 HH12 ARG A 65 0.957 -14.313 -2.016 1.00 71.04 H new ATOM 0 HH21 ARG A 65 -0.073 -16.808 -4.288 1.00 44.34 H new ATOM 0 HH22 ARG A 65 0.073 -16.356 -2.587 1.00 44.34 H new ATOM 1066 N TYR A 66 3.012 -13.297 -10.569 1.00 72.42 N ATOM 1067 CA TYR A 66 2.705 -14.134 -11.725 1.00 43.13 C ATOM 1068 C TYR A 66 3.628 -15.340 -11.724 1.00 41.44 C ATOM 1069 O TYR A 66 3.171 -16.484 -11.793 1.00 22.31 O ATOM 1070 CB TYR A 66 2.894 -13.322 -13.010 1.00 2.22 C ATOM 1071 CG TYR A 66 2.199 -13.891 -14.218 1.00 22.41 C ATOM 1072 CD1 TYR A 66 2.676 -15.006 -14.880 1.00 63.14 C ATOM 1073 CD2 TYR A 66 1.050 -13.289 -14.697 1.00 30.51 C ATOM 1074 CE1 TYR A 66 2.023 -15.508 -15.985 1.00 74.41 C ATOM 1075 CE2 TYR A 66 0.393 -13.775 -15.792 1.00 5.53 C ATOM 1076 CZ TYR A 66 0.877 -14.887 -16.438 1.00 21.10 C ATOM 1077 OH TYR A 66 0.214 -15.384 -17.539 1.00 15.14 O ATOM 0 H TYR A 66 3.247 -12.334 -10.810 1.00 72.42 H new ATOM 0 HA TYR A 66 1.671 -14.474 -11.674 1.00 43.13 H new ATOM 0 HB2 TYR A 66 2.530 -12.309 -12.841 1.00 2.22 H new ATOM 0 HB3 TYR A 66 3.960 -13.246 -13.223 1.00 2.22 H new ATOM 0 HD1 TYR A 66 3.574 -15.491 -14.526 1.00 63.14 H new ATOM 0 HD2 TYR A 66 0.663 -12.415 -14.194 1.00 30.51 H new ATOM 0 HE1 TYR A 66 2.405 -16.381 -16.493 1.00 74.41 H new ATOM 0 HE2 TYR A 66 -0.502 -13.287 -16.148 1.00 5.53 H new ATOM 0 HH TYR A 66 -0.573 -14.831 -17.724 1.00 15.14 H new ATOM 1087 N GLU A 67 4.916 -15.067 -11.595 1.00 22.15 N ATOM 1088 CA GLU A 67 5.964 -16.092 -11.542 1.00 31.15 C ATOM 1089 C GLU A 67 5.766 -16.955 -10.334 1.00 50.22 C ATOM 1090 O GLU A 67 5.869 -18.179 -10.412 1.00 52.00 O ATOM 1091 CB GLU A 67 7.323 -15.416 -11.465 1.00 13.11 C ATOM 1092 CG GLU A 67 7.530 -14.377 -12.542 1.00 52.34 C ATOM 1093 CD GLU A 67 7.450 -14.948 -13.937 1.00 40.05 C ATOM 1094 OE1 GLU A 67 6.343 -15.171 -14.434 1.00 42.30 O ATOM 1095 OE2 GLU A 67 8.519 -15.191 -14.557 1.00 71.34 O ATOM 0 H GLU A 67 5.276 -14.115 -11.522 1.00 22.15 H new ATOM 0 HA GLU A 67 5.912 -16.711 -12.438 1.00 31.15 H new ATOM 0 HB2 GLU A 67 7.433 -14.945 -10.488 1.00 13.11 H new ATOM 0 HB3 GLU A 67 8.104 -16.173 -11.544 1.00 13.11 H new ATOM 0 HG2 GLU A 67 6.780 -13.594 -12.432 1.00 52.34 H new ATOM 0 HG3 GLU A 67 8.504 -13.907 -12.403 1.00 52.34 H new ATOM 1102 N GLN A 68 5.463 -16.313 -9.221 1.00 41.41 N ATOM 1103 CA GLN A 68 5.222 -17.011 -7.976 1.00 54.01 C ATOM 1104 C GLN A 68 4.091 -18.018 -8.126 1.00 31.43 C ATOM 1105 O GLN A 68 4.241 -19.157 -7.737 1.00 21.20 O ATOM 1106 CB GLN A 68 4.940 -16.036 -6.836 1.00 43.25 C ATOM 1107 CG GLN A 68 6.117 -15.139 -6.492 1.00 52.04 C ATOM 1108 CD GLN A 68 5.781 -14.119 -5.429 1.00 71.11 C ATOM 1109 OE1 GLN A 68 4.643 -13.672 -5.318 1.00 63.54 O ATOM 1110 NE2 GLN A 68 6.760 -13.741 -4.645 1.00 74.04 N ATOM 0 H GLN A 68 5.378 -15.299 -9.156 1.00 41.41 H new ATOM 0 HA GLN A 68 6.130 -17.559 -7.723 1.00 54.01 H new ATOM 0 HB2 GLN A 68 4.087 -15.413 -7.105 1.00 43.25 H new ATOM 0 HB3 GLN A 68 4.654 -16.601 -5.949 1.00 43.25 H new ATOM 0 HG2 GLN A 68 6.949 -15.754 -6.150 1.00 52.04 H new ATOM 0 HG3 GLN A 68 6.451 -14.623 -7.392 1.00 52.04 H new ATOM 0 HE21 GLN A 68 7.693 -14.135 -4.768 1.00 74.04 H new ATOM 0 HE22 GLN A 68 6.589 -13.053 -3.912 1.00 74.04 H new ATOM 1119 N GLU A 69 2.982 -17.599 -8.724 1.00 11.44 N ATOM 1120 CA GLU A 69 1.838 -18.480 -8.933 1.00 21.04 C ATOM 1121 C GLU A 69 2.091 -19.530 -10.013 1.00 20.21 C ATOM 1122 O GLU A 69 1.638 -20.668 -9.892 1.00 62.04 O ATOM 1123 CB GLU A 69 0.568 -17.706 -9.228 1.00 41.31 C ATOM 1124 CG GLU A 69 0.057 -16.886 -8.062 1.00 13.33 C ATOM 1125 CD GLU A 69 -0.273 -17.734 -6.852 1.00 42.42 C ATOM 1126 OE1 GLU A 69 -1.266 -18.496 -6.891 1.00 23.42 O ATOM 1127 OE2 GLU A 69 0.456 -17.657 -5.851 1.00 2.22 O ATOM 0 H GLU A 69 2.850 -16.650 -9.074 1.00 11.44 H new ATOM 0 HA GLU A 69 1.699 -19.010 -7.991 1.00 21.04 H new ATOM 0 HB2 GLU A 69 0.748 -17.042 -10.073 1.00 41.31 H new ATOM 0 HB3 GLU A 69 -0.209 -18.407 -9.533 1.00 41.31 H new ATOM 0 HG2 GLU A 69 0.808 -16.145 -7.787 1.00 13.33 H new ATOM 0 HG3 GLU A 69 -0.833 -16.338 -8.371 1.00 13.33 H new