USER MOD reduce.3.24.130724 H: found=0, std=0, add=916, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 915 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 90 GLN :FLIP amide:sc= -0.178 F(o=-3.1,f=-1.8) USER MOD Set 1.2: A 93 MET CE :methyl -134:sc= -1.62 (180deg=-4.47!) USER MOD Set 2.1: A 61 ASN : amide:sc= -1.86 X(o=-1.7,f=-1.6) USER MOD Set 2.2: A 66 THR OG1 : rot 139:sc= 0.174 USER MOD Set 3.1: A 8 THR OG1 : rot 180:sc= 0.0542 USER MOD Set 3.2: A 33 THR OG1 : rot 128:sc= 0.0516 USER MOD Single : A 10 TYR OH : rot 83:sc= -0.503 USER MOD Single : A 13 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00624) USER MOD Single : A 14 ASN : amide:sc= -0.119 K(o=-0.12,f=-0.71) USER MOD Single : A 15 CYS SG : rot -170:sc= -0.775 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0334 USER MOD Single : A 18 MET CE :methyl -143:sc= -0.922 (180deg=-3.69!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 TYR OH : rot 110:sc= -0.125 USER MOD Single : A 35 HIS : no HD1:sc= -0.708 K(o=-0.71,f=-1.9) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 166:sc=-0.00415 (180deg=-0.0968) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0644 USER MOD Single : A 52 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0581) USER MOD Single : A 53 THR OG1 : rot 90:sc= 1.19 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 160:sc= -0.0671 (180deg=-0.388) USER MOD Single : A 76 SER OG : rot 16:sc= 0.191! USER MOD Single : A 77 ASN : amide:sc= -0.0234 X(o=-0.023,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0.0362 USER MOD Single : A 87 MET CE :methyl 139:sc= -0.17 (180deg=-2.19) USER MOD Single : A 92 SER OG : rot 1:sc= -3.16! USER MOD Single : A 95 LYS NZ :NH3+ -122:sc= 0.116 (180deg=-0.953) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= -0.0103 X(o=-0.01,f=-0.01) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 68 N VAL A 7 -0.408 -1.366 -16.225 1.00 10.34 N ATOM 69 CA VAL A 7 0.215 -2.058 -17.348 1.00 2.44 C ATOM 70 C VAL A 7 -0.794 -2.315 -18.463 1.00 5.32 C ATOM 71 O VAL A 7 -1.959 -2.619 -18.204 1.00 24.25 O ATOM 72 CB VAL A 7 0.831 -3.400 -16.909 1.00 52.12 C ATOM 73 CG1 VAL A 7 1.522 -4.079 -18.082 1.00 54.24 C ATOM 74 CG2 VAL A 7 1.801 -3.188 -15.757 1.00 43.52 C ATOM 0 HA VAL A 7 1.007 -1.408 -17.720 1.00 2.44 H new ATOM 0 HB VAL A 7 0.030 -4.053 -16.563 1.00 52.12 H new ATOM 0 HG11 VAL A 7 1.951 -5.025 -17.753 1.00 54.24 H new ATOM 0 HG12 VAL A 7 0.796 -4.265 -18.874 1.00 54.24 H new ATOM 0 HG13 VAL A 7 2.314 -3.433 -18.461 1.00 54.24 H new ATOM 0 HG21 VAL A 7 2.227 -4.146 -15.459 1.00 43.52 H new ATOM 0 HG22 VAL A 7 2.600 -2.518 -16.073 1.00 43.52 H new ATOM 0 HG23 VAL A 7 1.272 -2.748 -14.912 1.00 43.52 H new ATOM 84 N THR A 8 -0.339 -2.191 -19.705 1.00 15.13 N ATOM 85 CA THR A 8 -1.200 -2.409 -20.860 1.00 55.12 C ATOM 86 C THR A 8 -0.666 -3.533 -21.741 1.00 32.31 C ATOM 87 O THR A 8 0.530 -3.595 -22.027 1.00 11.22 O ATOM 88 CB THR A 8 -1.338 -1.130 -21.708 1.00 32.32 C ATOM 89 OG1 THR A 8 -1.907 -0.079 -20.919 1.00 2.03 O ATOM 90 CG2 THR A 8 -2.209 -1.382 -22.930 1.00 55.11 C ATOM 0 H THR A 8 0.622 -1.940 -19.937 1.00 15.13 H new ATOM 0 HA THR A 8 -2.180 -2.688 -20.474 1.00 55.12 H new ATOM 0 HB THR A 8 -0.344 -0.834 -22.045 1.00 32.32 H new ATOM 0 HG1 THR A 8 -1.990 0.731 -21.464 1.00 2.03 H new ATOM 0 HG21 THR A 8 -2.292 -0.465 -23.513 1.00 55.11 H new ATOM 0 HG22 THR A 8 -1.759 -2.162 -23.543 1.00 55.11 H new ATOM 0 HG23 THR A 8 -3.201 -1.699 -22.610 1.00 55.11 H new ATOM 98 N ILE A 9 -1.560 -4.419 -22.167 1.00 40.31 N ATOM 99 CA ILE A 9 -1.177 -5.540 -23.017 1.00 3.44 C ATOM 100 C ILE A 9 -1.815 -5.426 -24.398 1.00 62.44 C ATOM 101 O ILE A 9 -2.991 -5.084 -24.524 1.00 5.32 O ATOM 102 CB ILE A 9 -1.580 -6.887 -22.388 1.00 0.54 C ATOM 103 CG1 ILE A 9 -1.223 -8.041 -23.327 1.00 33.21 C ATOM 104 CG2 ILE A 9 -3.067 -6.898 -22.068 1.00 54.44 C ATOM 105 CD1 ILE A 9 -1.551 -9.405 -22.760 1.00 32.30 C ATOM 0 H ILE A 9 -2.553 -4.383 -21.938 1.00 40.31 H new ATOM 0 HA ILE A 9 -0.092 -5.504 -23.116 1.00 3.44 H new ATOM 0 HB ILE A 9 -1.027 -7.017 -21.458 1.00 0.54 H new ATOM 0 HG12 ILE A 9 -1.756 -7.910 -24.269 1.00 33.21 H new ATOM 0 HG13 ILE A 9 -0.158 -7.998 -23.554 1.00 33.21 H new ATOM 0 HG21 ILE A 9 -3.337 -7.856 -21.624 1.00 54.44 H new ATOM 0 HG22 ILE A 9 -3.294 -6.096 -21.365 1.00 54.44 H new ATOM 0 HG23 ILE A 9 -3.638 -6.749 -22.985 1.00 54.44 H new ATOM 0 HD11 ILE A 9 -1.271 -10.175 -23.479 1.00 32.30 H new ATOM 0 HD12 ILE A 9 -0.998 -9.556 -21.833 1.00 32.30 H new ATOM 0 HD13 ILE A 9 -2.620 -9.468 -22.559 1.00 32.30 H new ATOM 117 N TYR A 10 -1.031 -5.716 -25.431 1.00 4.54 N ATOM 118 CA TYR A 10 -1.520 -5.646 -26.803 1.00 30.24 C ATOM 119 C TYR A 10 -1.568 -7.033 -27.436 1.00 22.21 C ATOM 120 O TYR A 10 -0.708 -7.875 -27.180 1.00 41.11 O ATOM 121 CB TYR A 10 -0.628 -4.724 -27.637 1.00 22.32 C ATOM 122 CG TYR A 10 -1.372 -3.984 -28.725 1.00 34.41 C ATOM 123 CD1 TYR A 10 -2.128 -2.855 -28.434 1.00 15.21 C ATOM 124 CD2 TYR A 10 -1.320 -4.414 -30.045 1.00 54.11 C ATOM 125 CE1 TYR A 10 -2.811 -2.176 -29.426 1.00 22.30 C ATOM 126 CE2 TYR A 10 -1.997 -3.741 -31.044 1.00 20.31 C ATOM 127 CZ TYR A 10 -2.742 -2.623 -30.728 1.00 60.44 C ATOM 128 OH TYR A 10 -3.419 -1.950 -31.719 1.00 41.33 O ATOM 0 H TYR A 10 -0.056 -6.001 -25.344 1.00 4.54 H new ATOM 0 HA TYR A 10 -2.532 -5.241 -26.781 1.00 30.24 H new ATOM 0 HB2 TYR A 10 -0.151 -3.999 -26.977 1.00 22.32 H new ATOM 0 HB3 TYR A 10 0.168 -5.315 -28.090 1.00 22.32 H new ATOM 0 HD1 TYR A 10 -2.183 -2.502 -27.415 1.00 15.21 H new ATOM 0 HD2 TYR A 10 -0.740 -5.290 -30.295 1.00 54.11 H new ATOM 0 HE1 TYR A 10 -3.395 -1.301 -29.182 1.00 22.30 H new ATOM 0 HE2 TYR A 10 -1.944 -4.088 -32.065 1.00 20.31 H new ATOM 0 HH TYR A 10 -2.887 -1.182 -32.015 1.00 41.33 H new ATOM 138 N GLY A 11 -2.580 -7.263 -28.266 1.00 41.24 N ATOM 139 CA GLY A 11 -2.723 -8.549 -28.924 1.00 3.41 C ATOM 140 C GLY A 11 -3.986 -8.637 -29.758 1.00 42.14 C ATOM 141 O GLY A 11 -4.486 -7.624 -30.247 1.00 61.14 O ATOM 0 H GLY A 11 -3.304 -6.582 -28.495 1.00 41.24 H new ATOM 0 HA2 GLY A 11 -1.857 -8.725 -29.562 1.00 3.41 H new ATOM 0 HA3 GLY A 11 -2.732 -9.339 -28.173 1.00 3.41 H new ATOM 145 N ILE A 12 -4.502 -9.850 -29.920 1.00 0.23 N ATOM 146 CA ILE A 12 -5.714 -10.066 -30.701 1.00 21.20 C ATOM 147 C ILE A 12 -6.733 -10.888 -29.919 1.00 0.25 C ATOM 148 O ILE A 12 -6.460 -11.340 -28.806 1.00 72.24 O ATOM 149 CB ILE A 12 -5.408 -10.779 -32.032 1.00 70.51 C ATOM 150 CG1 ILE A 12 -4.846 -12.178 -31.767 1.00 34.24 C ATOM 151 CG2 ILE A 12 -4.432 -9.958 -32.860 1.00 63.31 C ATOM 152 CD1 ILE A 12 -4.630 -12.990 -33.025 1.00 42.40 C ATOM 0 H ILE A 12 -4.100 -10.698 -29.521 1.00 0.23 H new ATOM 0 HA ILE A 12 -6.131 -9.082 -30.914 1.00 21.20 H new ATOM 0 HB ILE A 12 -6.335 -10.881 -32.596 1.00 70.51 H new ATOM 0 HG12 ILE A 12 -3.898 -12.086 -31.237 1.00 34.24 H new ATOM 0 HG13 ILE A 12 -5.528 -12.716 -31.109 1.00 34.24 H new ATOM 0 HG21 ILE A 12 -4.226 -10.475 -33.797 1.00 63.31 H new ATOM 0 HG22 ILE A 12 -4.867 -8.981 -33.072 1.00 63.31 H new ATOM 0 HG23 ILE A 12 -3.503 -9.829 -32.305 1.00 63.31 H new ATOM 0 HD11 ILE A 12 -4.230 -13.969 -32.762 1.00 42.40 H new ATOM 0 HD12 ILE A 12 -5.579 -13.113 -33.546 1.00 42.40 H new ATOM 0 HD13 ILE A 12 -3.924 -12.473 -33.675 1.00 42.40 H new ATOM 164 N LYS A 13 -7.908 -11.080 -30.509 1.00 73.52 N ATOM 165 CA LYS A 13 -8.968 -11.851 -29.870 1.00 71.53 C ATOM 166 C LYS A 13 -9.309 -13.091 -30.689 1.00 42.41 C ATOM 167 O LYS A 13 -10.452 -13.546 -30.698 1.00 70.40 O ATOM 168 CB LYS A 13 -10.218 -10.986 -29.690 1.00 10.01 C ATOM 169 CG LYS A 13 -10.849 -10.548 -31.000 1.00 12.21 C ATOM 170 CD LYS A 13 -12.258 -10.022 -30.792 1.00 11.45 C ATOM 171 CE LYS A 13 -12.858 -9.506 -32.092 1.00 71.10 C ATOM 172 NZ LYS A 13 -12.280 -8.191 -32.486 1.00 71.14 N ATOM 0 H LYS A 13 -8.150 -10.712 -31.429 1.00 73.52 H new ATOM 0 HA LYS A 13 -8.610 -12.171 -28.891 1.00 71.53 H new ATOM 0 HB2 LYS A 13 -10.954 -11.543 -29.110 1.00 10.01 H new ATOM 0 HB3 LYS A 13 -9.957 -10.102 -29.109 1.00 10.01 H new ATOM 0 HG2 LYS A 13 -10.235 -9.774 -31.460 1.00 12.21 H new ATOM 0 HG3 LYS A 13 -10.872 -11.389 -31.693 1.00 12.21 H new ATOM 0 HD2 LYS A 13 -12.888 -10.815 -30.389 1.00 11.45 H new ATOM 0 HD3 LYS A 13 -12.243 -9.220 -30.054 1.00 11.45 H new ATOM 0 HE2 LYS A 13 -12.683 -10.232 -32.886 1.00 71.10 H new ATOM 0 HE3 LYS A 13 -13.938 -9.409 -31.980 1.00 71.10 H new ATOM 0 HZ1 LYS A 13 -12.750 -7.849 -33.348 1.00 71.14 H new ATOM 0 HZ2 LYS A 13 -12.424 -7.504 -31.718 1.00 71.14 H new ATOM 0 HZ3 LYS A 13 -11.262 -8.300 -32.667 1.00 71.14 H new ATOM 186 N ASN A 14 -8.309 -13.634 -31.376 1.00 14.55 N ATOM 187 CA ASN A 14 -8.503 -14.823 -32.198 1.00 43.33 C ATOM 188 C ASN A 14 -7.345 -15.801 -32.021 1.00 4.54 C ATOM 189 O ASN A 14 -7.053 -16.599 -32.912 1.00 13.15 O ATOM 190 CB ASN A 14 -8.636 -14.434 -33.671 1.00 12.44 C ATOM 191 CG ASN A 14 -9.918 -13.675 -33.955 1.00 1.15 C ATOM 192 OD1 ASN A 14 -10.004 -12.469 -33.723 1.00 11.24 O ATOM 193 ND2 ASN A 14 -10.923 -14.381 -34.461 1.00 4.23 N ATOM 0 H ASN A 14 -7.356 -13.270 -31.380 1.00 14.55 H new ATOM 0 HA ASN A 14 -9.422 -15.312 -31.874 1.00 43.33 H new ATOM 0 HB2 ASN A 14 -7.782 -13.821 -33.961 1.00 12.44 H new ATOM 0 HB3 ASN A 14 -8.606 -15.334 -34.286 1.00 12.44 H new ATOM 0 HD21 ASN A 14 -11.810 -13.925 -34.673 1.00 4.23 H new ATOM 0 HD22 ASN A 14 -10.807 -15.379 -34.637 1.00 4.23 H new ATOM 200 N CYS A 15 -6.692 -15.733 -30.867 1.00 13.42 N ATOM 201 CA CYS A 15 -5.567 -16.614 -30.573 1.00 5.12 C ATOM 202 C CYS A 15 -5.773 -17.335 -29.245 1.00 45.42 C ATOM 203 O CYS A 15 -6.832 -17.228 -28.626 1.00 62.11 O ATOM 204 CB CYS A 15 -4.264 -15.813 -30.535 1.00 22.14 C ATOM 205 SG CYS A 15 -4.257 -14.469 -29.326 1.00 2.24 S ATOM 0 H CYS A 15 -6.921 -15.078 -30.120 1.00 13.42 H new ATOM 0 HA CYS A 15 -5.505 -17.361 -31.365 1.00 5.12 H new ATOM 0 HB2 CYS A 15 -3.440 -16.491 -30.313 1.00 22.14 H new ATOM 0 HB3 CYS A 15 -4.077 -15.397 -31.525 1.00 22.14 H new ATOM 0 HG CYS A 15 -3.207 -13.725 -29.511 1.00 2.24 H new ATOM 211 N ASP A 16 -4.755 -18.072 -28.814 1.00 14.03 N ATOM 212 CA ASP A 16 -4.825 -18.812 -27.559 1.00 11.23 C ATOM 213 C ASP A 16 -3.798 -18.288 -26.560 1.00 34.34 C ATOM 214 O ASP A 16 -4.019 -18.319 -25.350 1.00 45.12 O ATOM 215 CB ASP A 16 -4.596 -20.304 -27.809 1.00 50.21 C ATOM 216 CG ASP A 16 -3.307 -20.574 -28.560 1.00 54.43 C ATOM 217 OD1 ASP A 16 -3.290 -20.391 -29.796 1.00 34.14 O ATOM 218 OD2 ASP A 16 -2.315 -20.967 -27.912 1.00 34.04 O ATOM 0 H ASP A 16 -3.872 -18.173 -29.315 1.00 14.03 H new ATOM 0 HA ASP A 16 -5.820 -18.670 -27.137 1.00 11.23 H new ATOM 0 HB2 ASP A 16 -4.574 -20.830 -26.855 1.00 50.21 H new ATOM 0 HB3 ASP A 16 -5.435 -20.707 -28.376 1.00 50.21 H new ATOM 223 N THR A 17 -2.671 -17.807 -27.076 1.00 62.21 N ATOM 224 CA THR A 17 -1.608 -17.277 -26.230 1.00 10.24 C ATOM 225 C THR A 17 -2.132 -16.182 -25.311 1.00 43.54 C ATOM 226 O THR A 17 -1.970 -16.251 -24.093 1.00 32.13 O ATOM 227 CB THR A 17 -0.447 -16.715 -27.073 1.00 64.53 C ATOM 228 OG1 THR A 17 -0.266 -17.510 -28.250 1.00 51.14 O ATOM 229 CG2 THR A 17 0.843 -16.688 -26.268 1.00 13.05 C ATOM 0 H THR A 17 -2.471 -17.774 -28.076 1.00 62.21 H new ATOM 0 HA THR A 17 -1.240 -18.107 -25.627 1.00 10.24 H new ATOM 0 HB THR A 17 -0.697 -15.694 -27.361 1.00 64.53 H new ATOM 0 HG1 THR A 17 0.472 -17.145 -28.781 1.00 51.14 H new ATOM 0 HG21 THR A 17 1.648 -16.288 -26.884 1.00 13.05 H new ATOM 0 HG22 THR A 17 0.710 -16.057 -25.389 1.00 13.05 H new ATOM 0 HG23 THR A 17 1.096 -17.700 -25.953 1.00 13.05 H new ATOM 237 N MET A 18 -2.760 -15.170 -25.901 1.00 61.22 N ATOM 238 CA MET A 18 -3.310 -14.059 -25.132 1.00 4.42 C ATOM 239 C MET A 18 -4.205 -14.567 -24.007 1.00 72.34 C ATOM 240 O MET A 18 -4.178 -14.042 -22.893 1.00 54.40 O ATOM 241 CB MET A 18 -4.103 -13.121 -26.045 1.00 41.43 C ATOM 242 CG MET A 18 -3.225 -12.269 -26.949 1.00 42.31 C ATOM 243 SD MET A 18 -2.248 -11.064 -26.032 1.00 61.21 S ATOM 244 CE MET A 18 -3.541 -10.076 -25.286 1.00 35.43 C ATOM 0 H MET A 18 -2.901 -15.096 -26.909 1.00 61.22 H new ATOM 0 HA MET A 18 -2.479 -13.509 -24.691 1.00 4.42 H new ATOM 0 HB2 MET A 18 -4.779 -13.713 -26.662 1.00 41.43 H new ATOM 0 HB3 MET A 18 -4.722 -12.467 -25.431 1.00 41.43 H new ATOM 0 HG2 MET A 18 -2.557 -12.917 -27.516 1.00 42.31 H new ATOM 0 HG3 MET A 18 -3.852 -11.748 -27.672 1.00 42.31 H new ATOM 0 HE1 MET A 18 -3.235 -9.030 -25.268 1.00 35.43 H new ATOM 0 HE2 MET A 18 -4.457 -10.176 -25.868 1.00 35.43 H new ATOM 0 HE3 MET A 18 -3.719 -10.420 -24.267 1.00 35.43 H new ATOM 254 N LYS A 19 -4.997 -15.591 -24.303 1.00 34.45 N ATOM 255 CA LYS A 19 -5.900 -16.173 -23.316 1.00 44.21 C ATOM 256 C LYS A 19 -5.134 -16.619 -22.074 1.00 43.12 C ATOM 257 O LYS A 19 -5.490 -16.264 -20.951 1.00 22.52 O ATOM 258 CB LYS A 19 -6.652 -17.360 -23.919 1.00 42.21 C ATOM 259 CG LYS A 19 -7.922 -17.721 -23.168 1.00 0.44 C ATOM 260 CD LYS A 19 -8.961 -18.334 -24.092 1.00 30.12 C ATOM 261 CE LYS A 19 -10.314 -18.453 -23.408 1.00 54.50 C ATOM 262 NZ LYS A 19 -11.368 -18.938 -24.342 1.00 12.14 N ATOM 0 H LYS A 19 -5.032 -16.036 -25.220 1.00 34.45 H new ATOM 0 HA LYS A 19 -6.619 -15.408 -23.022 1.00 44.21 H new ATOM 0 HB2 LYS A 19 -6.905 -17.131 -24.954 1.00 42.21 H new ATOM 0 HB3 LYS A 19 -5.991 -18.227 -23.936 1.00 42.21 H new ATOM 0 HG2 LYS A 19 -7.686 -18.423 -22.368 1.00 0.44 H new ATOM 0 HG3 LYS A 19 -8.334 -16.828 -22.697 1.00 0.44 H new ATOM 0 HD2 LYS A 19 -9.058 -17.722 -24.989 1.00 30.12 H new ATOM 0 HD3 LYS A 19 -8.627 -19.320 -24.414 1.00 30.12 H new ATOM 0 HE2 LYS A 19 -10.235 -19.137 -22.563 1.00 54.50 H new ATOM 0 HE3 LYS A 19 -10.604 -17.482 -23.006 1.00 54.50 H new ATOM 0 HZ1 LYS A 19 -12.275 -19.005 -23.837 1.00 12.14 H new ATOM 0 HZ2 LYS A 19 -11.462 -18.272 -25.135 1.00 12.14 H new ATOM 0 HZ3 LYS A 19 -11.104 -19.876 -24.706 1.00 12.14 H new ATOM 276 N LYS A 20 -4.079 -17.399 -22.284 1.00 34.44 N ATOM 277 CA LYS A 20 -3.261 -17.893 -21.184 1.00 13.54 C ATOM 278 C LYS A 20 -2.629 -16.737 -20.414 1.00 54.33 C ATOM 279 O LYS A 20 -2.660 -16.706 -19.185 1.00 71.32 O ATOM 280 CB LYS A 20 -2.169 -18.826 -21.711 1.00 51.40 C ATOM 281 CG LYS A 20 -2.709 -20.027 -22.468 1.00 41.13 C ATOM 282 CD LYS A 20 -3.377 -21.021 -21.533 1.00 21.45 C ATOM 283 CE LYS A 20 -2.353 -21.844 -20.768 1.00 33.50 C ATOM 284 NZ LYS A 20 -2.898 -23.168 -20.360 1.00 30.33 N ATOM 0 H LYS A 20 -3.771 -17.703 -23.208 1.00 34.44 H new ATOM 0 HA LYS A 20 -3.908 -18.449 -20.505 1.00 13.54 H new ATOM 0 HB2 LYS A 20 -1.506 -18.262 -22.367 1.00 51.40 H new ATOM 0 HB3 LYS A 20 -1.566 -19.176 -20.873 1.00 51.40 H new ATOM 0 HG2 LYS A 20 -3.426 -19.693 -23.218 1.00 41.13 H new ATOM 0 HG3 LYS A 20 -1.895 -20.518 -23.001 1.00 41.13 H new ATOM 0 HD2 LYS A 20 -4.015 -20.487 -20.829 1.00 21.45 H new ATOM 0 HD3 LYS A 20 -4.023 -21.685 -22.108 1.00 21.45 H new ATOM 0 HE2 LYS A 20 -1.469 -21.991 -21.388 1.00 33.50 H new ATOM 0 HE3 LYS A 20 -2.034 -21.294 -19.883 1.00 33.50 H new ATOM 0 HZ1 LYS A 20 -2.169 -23.698 -19.841 1.00 30.33 H new ATOM 0 HZ2 LYS A 20 -3.727 -23.028 -19.747 1.00 30.33 H new ATOM 0 HZ3 LYS A 20 -3.179 -23.703 -21.206 1.00 30.33 H new ATOM 298 N ALA A 21 -2.056 -15.787 -21.148 1.00 53.12 N ATOM 299 CA ALA A 21 -1.420 -14.628 -20.535 1.00 1.22 C ATOM 300 C ALA A 21 -2.410 -13.852 -19.672 1.00 43.50 C ATOM 301 O ALA A 21 -2.122 -13.529 -18.519 1.00 22.15 O ATOM 302 CB ALA A 21 -0.827 -13.723 -21.605 1.00 20.30 C ATOM 0 H ALA A 21 -2.020 -15.798 -22.167 1.00 53.12 H new ATOM 0 HA ALA A 21 -0.616 -14.984 -19.890 1.00 1.22 H new ATOM 0 HB1 ALA A 21 -0.355 -12.861 -21.132 1.00 20.30 H new ATOM 0 HB2 ALA A 21 -0.082 -14.276 -22.177 1.00 20.30 H new ATOM 0 HB3 ALA A 21 -1.618 -13.382 -22.273 1.00 20.30 H new ATOM 308 N ARG A 22 -3.575 -13.554 -20.238 1.00 25.34 N ATOM 309 CA ARG A 22 -4.605 -12.814 -19.520 1.00 62.34 C ATOM 310 C ARG A 22 -5.004 -13.539 -18.238 1.00 32.15 C ATOM 311 O ARG A 22 -5.060 -12.938 -17.165 1.00 70.51 O ATOM 312 CB ARG A 22 -5.835 -12.616 -20.410 1.00 44.13 C ATOM 313 CG ARG A 22 -5.710 -11.444 -21.369 1.00 55.33 C ATOM 314 CD ARG A 22 -5.891 -10.115 -20.651 1.00 32.33 C ATOM 315 NE ARG A 22 -7.300 -9.780 -20.467 1.00 60.44 N ATOM 316 CZ ARG A 22 -7.734 -8.885 -19.586 1.00 11.23 C ATOM 317 NH1 ARG A 22 -6.871 -8.239 -18.814 1.00 3.41 N ATOM 318 NH2 ARG A 22 -9.032 -8.635 -19.477 1.00 10.54 N ATOM 0 H ARG A 22 -3.829 -13.814 -21.191 1.00 25.34 H new ATOM 0 HA ARG A 22 -4.196 -11.839 -19.253 1.00 62.34 H new ATOM 0 HB2 ARG A 22 -6.009 -13.527 -20.983 1.00 44.13 H new ATOM 0 HB3 ARG A 22 -6.710 -12.466 -19.778 1.00 44.13 H new ATOM 0 HG2 ARG A 22 -4.732 -11.469 -21.850 1.00 55.33 H new ATOM 0 HG3 ARG A 22 -6.456 -11.537 -22.158 1.00 55.33 H new ATOM 0 HD2 ARG A 22 -5.399 -10.158 -19.679 1.00 32.33 H new ATOM 0 HD3 ARG A 22 -5.402 -9.325 -21.221 1.00 32.33 H new ATOM 0 HE ARG A 22 -7.989 -10.259 -21.047 1.00 60.44 H new ATOM 0 HH11 ARG A 22 -5.872 -8.429 -18.896 1.00 3.41 H new ATOM 0 HH12 ARG A 22 -7.206 -7.552 -18.138 1.00 3.41 H new ATOM 0 HH21 ARG A 22 -9.698 -9.130 -20.070 1.00 10.54 H new ATOM 0 HH22 ARG A 22 -9.364 -7.948 -18.800 1.00 10.54 H new ATOM 332 N ILE A 23 -5.279 -14.833 -18.358 1.00 34.41 N ATOM 333 CA ILE A 23 -5.671 -15.641 -17.210 1.00 74.45 C ATOM 334 C ILE A 23 -4.577 -15.653 -16.147 1.00 44.23 C ATOM 335 O ILE A 23 -4.861 -15.661 -14.950 1.00 42.13 O ATOM 336 CB ILE A 23 -5.988 -17.090 -17.622 1.00 2.43 C ATOM 337 CG1 ILE A 23 -7.128 -17.116 -18.641 1.00 24.30 C ATOM 338 CG2 ILE A 23 -6.344 -17.923 -16.400 1.00 3.12 C ATOM 339 CD1 ILE A 23 -7.106 -18.332 -19.542 1.00 52.43 C ATOM 0 H ILE A 23 -5.238 -15.345 -19.239 1.00 34.41 H new ATOM 0 HA ILE A 23 -6.571 -15.186 -16.797 1.00 74.45 H new ATOM 0 HB ILE A 23 -5.101 -17.522 -18.086 1.00 2.43 H new ATOM 0 HG12 ILE A 23 -8.080 -17.084 -18.110 1.00 24.30 H new ATOM 0 HG13 ILE A 23 -7.076 -16.217 -19.256 1.00 24.30 H new ATOM 0 HG21 ILE A 23 -6.565 -18.945 -16.708 1.00 3.12 H new ATOM 0 HG22 ILE A 23 -5.504 -17.927 -15.705 1.00 3.12 H new ATOM 0 HG23 ILE A 23 -7.218 -17.494 -15.910 1.00 3.12 H new ATOM 0 HD11 ILE A 23 -7.943 -18.284 -20.239 1.00 52.43 H new ATOM 0 HD12 ILE A 23 -6.170 -18.355 -20.100 1.00 52.43 H new ATOM 0 HD13 ILE A 23 -7.189 -19.235 -18.937 1.00 52.43 H new ATOM 351 N TRP A 24 -3.327 -15.652 -16.595 1.00 31.51 N ATOM 352 CA TRP A 24 -2.189 -15.661 -15.682 1.00 62.05 C ATOM 353 C TRP A 24 -2.099 -14.349 -14.911 1.00 74.25 C ATOM 354 O TRP A 24 -2.089 -14.341 -13.678 1.00 4.31 O ATOM 355 CB TRP A 24 -0.891 -15.903 -16.454 1.00 3.42 C ATOM 356 CG TRP A 24 0.210 -16.463 -15.605 1.00 50.22 C ATOM 357 CD1 TRP A 24 0.642 -17.757 -15.571 1.00 42.14 C ATOM 358 CD2 TRP A 24 1.017 -15.743 -14.666 1.00 0.54 C ATOM 359 NE1 TRP A 24 1.669 -17.887 -14.668 1.00 71.32 N ATOM 360 CE2 TRP A 24 1.919 -16.665 -14.099 1.00 44.32 C ATOM 361 CE3 TRP A 24 1.067 -14.410 -14.250 1.00 41.34 C ATOM 362 CZ2 TRP A 24 2.857 -16.295 -13.139 1.00 65.40 C ATOM 363 CZ3 TRP A 24 1.999 -14.044 -13.297 1.00 2.15 C ATOM 364 CH2 TRP A 24 2.884 -14.984 -12.750 1.00 64.41 C ATOM 0 H TRP A 24 -3.075 -15.645 -17.583 1.00 31.51 H new ATOM 0 HA TRP A 24 -2.335 -16.471 -14.968 1.00 62.05 H new ATOM 0 HB2 TRP A 24 -1.089 -16.589 -17.278 1.00 3.42 H new ATOM 0 HB3 TRP A 24 -0.558 -14.963 -16.894 1.00 3.42 H new ATOM 0 HD1 TRP A 24 0.236 -18.561 -16.167 1.00 42.14 H new ATOM 0 HE1 TRP A 24 2.165 -18.752 -14.455 1.00 71.32 H new ATOM 0 HE3 TRP A 24 0.390 -13.679 -14.666 1.00 41.34 H new ATOM 0 HZ2 TRP A 24 3.539 -17.018 -12.716 1.00 65.40 H new ATOM 0 HZ3 TRP A 24 2.046 -13.016 -12.968 1.00 2.15 H new ATOM 0 HH2 TRP A 24 3.601 -14.667 -12.007 1.00 64.41 H new ATOM 375 N LEU A 25 -2.035 -13.242 -15.641 1.00 11.33 N ATOM 376 CA LEU A 25 -1.946 -11.923 -15.025 1.00 44.32 C ATOM 377 C LEU A 25 -3.140 -11.667 -14.111 1.00 51.32 C ATOM 378 O LEU A 25 -2.982 -11.199 -12.984 1.00 43.22 O ATOM 379 CB LEU A 25 -1.871 -10.839 -16.102 1.00 70.24 C ATOM 380 CG LEU A 25 -0.475 -10.521 -16.639 1.00 60.23 C ATOM 381 CD1 LEU A 25 0.382 -9.885 -15.554 1.00 21.14 C ATOM 382 CD2 LEU A 25 0.190 -11.779 -17.176 1.00 3.23 C ATOM 0 H LEU A 25 -2.043 -13.231 -16.661 1.00 11.33 H new ATOM 0 HA LEU A 25 -1.038 -11.891 -14.423 1.00 44.32 H new ATOM 0 HB2 LEU A 25 -2.500 -11.143 -16.939 1.00 70.24 H new ATOM 0 HB3 LEU A 25 -2.300 -9.922 -15.697 1.00 70.24 H new ATOM 0 HG LEU A 25 -0.576 -9.810 -17.459 1.00 60.23 H new ATOM 0 HD11 LEU A 25 1.372 -9.666 -15.954 1.00 21.14 H new ATOM 0 HD12 LEU A 25 -0.086 -8.960 -15.216 1.00 21.14 H new ATOM 0 HD13 LEU A 25 0.475 -10.573 -14.714 1.00 21.14 H new ATOM 0 HD21 LEU A 25 1.182 -11.533 -17.554 1.00 3.23 H new ATOM 0 HD22 LEU A 25 0.278 -12.514 -16.376 1.00 3.23 H new ATOM 0 HD23 LEU A 25 -0.413 -12.193 -17.984 1.00 3.23 H new ATOM 394 N GLU A 26 -4.334 -11.979 -14.606 1.00 61.23 N ATOM 395 CA GLU A 26 -5.555 -11.785 -13.832 1.00 64.31 C ATOM 396 C GLU A 26 -5.548 -12.652 -12.577 1.00 74.22 C ATOM 397 O GLU A 26 -5.812 -12.170 -11.476 1.00 53.23 O ATOM 398 CB GLU A 26 -6.783 -12.112 -14.685 1.00 32.45 C ATOM 399 CG GLU A 26 -7.208 -10.976 -15.601 1.00 31.13 C ATOM 400 CD GLU A 26 -8.079 -9.954 -14.897 1.00 44.21 C ATOM 401 OE1 GLU A 26 -9.138 -10.343 -14.363 1.00 61.24 O ATOM 402 OE2 GLU A 26 -7.701 -8.764 -14.881 1.00 13.03 O ATOM 0 H GLU A 26 -4.482 -12.367 -15.538 1.00 61.23 H new ATOM 0 HA GLU A 26 -5.600 -10.739 -13.529 1.00 64.31 H new ATOM 0 HB2 GLU A 26 -6.571 -12.994 -15.289 1.00 32.45 H new ATOM 0 HB3 GLU A 26 -7.614 -12.368 -14.028 1.00 32.45 H new ATOM 0 HG2 GLU A 26 -6.321 -10.481 -15.996 1.00 31.13 H new ATOM 0 HG3 GLU A 26 -7.751 -11.385 -16.453 1.00 31.13 H new ATOM 409 N ASP A 27 -5.246 -13.934 -12.752 1.00 34.31 N ATOM 410 CA ASP A 27 -5.204 -14.869 -11.635 1.00 72.41 C ATOM 411 C ASP A 27 -4.277 -14.362 -10.535 1.00 33.14 C ATOM 412 O ASP A 27 -4.625 -14.386 -9.354 1.00 3.11 O ATOM 413 CB ASP A 27 -4.743 -16.247 -12.112 1.00 42.32 C ATOM 414 CG ASP A 27 -4.585 -17.232 -10.971 1.00 63.52 C ATOM 415 OD1 ASP A 27 -5.547 -17.397 -10.192 1.00 71.12 O ATOM 416 OD2 ASP A 27 -3.499 -17.839 -10.857 1.00 45.10 O ATOM 0 H ASP A 27 -5.027 -14.349 -13.658 1.00 34.31 H new ATOM 0 HA ASP A 27 -6.211 -14.952 -11.226 1.00 72.41 H new ATOM 0 HB2 ASP A 27 -5.463 -16.639 -12.830 1.00 42.32 H new ATOM 0 HB3 ASP A 27 -3.793 -16.147 -12.636 1.00 42.32 H new ATOM 421 N HIS A 28 -3.094 -13.904 -10.931 1.00 21.13 N ATOM 422 CA HIS A 28 -2.115 -13.390 -9.979 1.00 13.54 C ATOM 423 C HIS A 28 -2.604 -12.093 -9.343 1.00 43.42 C ATOM 424 O HIS A 28 -2.092 -11.664 -8.310 1.00 0.32 O ATOM 425 CB HIS A 28 -0.771 -13.157 -10.671 1.00 14.43 C ATOM 426 CG HIS A 28 0.410 -13.429 -9.793 1.00 55.54 C ATOM 427 ND1 HIS A 28 0.901 -12.512 -8.886 1.00 12.03 N ATOM 428 CD2 HIS A 28 1.201 -14.522 -9.684 1.00 71.45 C ATOM 429 CE1 HIS A 28 1.942 -13.030 -8.259 1.00 24.52 C ATOM 430 NE2 HIS A 28 2.145 -14.249 -8.724 1.00 21.13 N ATOM 0 H HIS A 28 -2.790 -13.878 -11.904 1.00 21.13 H new ATOM 0 HA HIS A 28 -1.986 -14.134 -9.193 1.00 13.54 H new ATOM 0 HB2 HIS A 28 -0.711 -13.794 -11.554 1.00 14.43 H new ATOM 0 HB3 HIS A 28 -0.725 -12.125 -11.019 1.00 14.43 H new ATOM 0 HD2 HIS A 28 1.107 -15.439 -10.247 1.00 71.45 H new ATOM 0 HE1 HIS A 28 2.528 -12.540 -7.496 1.00 24.52 H new ATOM 0 HE2 HIS A 28 2.883 -14.885 -8.420 1.00 21.13 H new ATOM 438 N GLY A 29 -3.599 -11.471 -9.968 1.00 43.32 N ATOM 439 CA GLY A 29 -4.139 -10.228 -9.449 1.00 61.30 C ATOM 440 C GLY A 29 -3.427 -9.010 -10.003 1.00 13.24 C ATOM 441 O GLY A 29 -3.147 -8.061 -9.271 1.00 52.32 O ATOM 0 H GLY A 29 -4.041 -11.806 -10.824 1.00 43.32 H new ATOM 0 HA2 GLY A 29 -5.200 -10.167 -9.692 1.00 61.30 H new ATOM 0 HA3 GLY A 29 -4.061 -10.227 -8.362 1.00 61.30 H new ATOM 445 N ILE A 30 -3.134 -9.036 -11.299 1.00 54.44 N ATOM 446 CA ILE A 30 -2.449 -7.926 -11.949 1.00 74.22 C ATOM 447 C ILE A 30 -3.418 -7.095 -12.782 1.00 61.31 C ATOM 448 O ILE A 30 -4.431 -7.602 -13.265 1.00 14.22 O ATOM 449 CB ILE A 30 -1.306 -8.421 -12.854 1.00 33.02 C ATOM 450 CG1 ILE A 30 -0.462 -9.466 -12.121 1.00 74.32 C ATOM 451 CG2 ILE A 30 -0.440 -7.253 -13.301 1.00 52.12 C ATOM 452 CD1 ILE A 30 0.218 -8.933 -10.880 1.00 25.45 C ATOM 0 H ILE A 30 -3.360 -9.814 -11.919 1.00 54.44 H new ATOM 0 HA ILE A 30 -2.030 -7.306 -11.156 1.00 74.22 H new ATOM 0 HB ILE A 30 -1.739 -8.886 -13.739 1.00 33.02 H new ATOM 0 HG12 ILE A 30 -1.099 -10.306 -11.844 1.00 74.32 H new ATOM 0 HG13 ILE A 30 0.296 -9.852 -12.803 1.00 74.32 H new ATOM 0 HG21 ILE A 30 0.363 -7.619 -13.940 1.00 52.12 H new ATOM 0 HG22 ILE A 30 -1.049 -6.540 -13.857 1.00 52.12 H new ATOM 0 HG23 ILE A 30 -0.013 -6.761 -12.427 1.00 52.12 H new ATOM 0 HD11 ILE A 30 0.798 -9.729 -10.413 1.00 25.45 H new ATOM 0 HD12 ILE A 30 0.882 -8.112 -11.153 1.00 25.45 H new ATOM 0 HD13 ILE A 30 -0.535 -8.573 -10.179 1.00 25.45 H new ATOM 464 N ASP A 31 -3.101 -5.815 -12.949 1.00 75.12 N ATOM 465 CA ASP A 31 -3.941 -4.913 -13.727 1.00 21.24 C ATOM 466 C ASP A 31 -3.383 -4.729 -15.134 1.00 75.12 C ATOM 467 O ASP A 31 -2.493 -3.909 -15.358 1.00 63.43 O ATOM 468 CB ASP A 31 -4.055 -3.558 -13.028 1.00 24.41 C ATOM 469 CG ASP A 31 -2.701 -2.936 -12.747 1.00 12.42 C ATOM 470 OD1 ASP A 31 -1.975 -3.465 -11.879 1.00 24.32 O ATOM 471 OD2 ASP A 31 -2.369 -1.922 -13.395 1.00 60.30 O ATOM 0 H ASP A 31 -2.267 -5.379 -12.555 1.00 75.12 H new ATOM 0 HA ASP A 31 -4.933 -5.357 -13.805 1.00 21.24 H new ATOM 0 HB2 ASP A 31 -4.641 -2.880 -13.649 1.00 24.41 H new ATOM 0 HB3 ASP A 31 -4.597 -3.681 -12.090 1.00 24.41 H new ATOM 476 N TYR A 32 -3.911 -5.498 -16.080 1.00 1.34 N ATOM 477 CA TYR A 32 -3.463 -5.422 -17.466 1.00 14.55 C ATOM 478 C TYR A 32 -4.594 -4.954 -18.378 1.00 23.04 C ATOM 479 O TYR A 32 -5.707 -5.478 -18.327 1.00 43.04 O ATOM 480 CB TYR A 32 -2.947 -6.784 -17.932 1.00 44.01 C ATOM 481 CG TYR A 32 -1.453 -6.952 -17.772 1.00 2.43 C ATOM 482 CD1 TYR A 32 -0.806 -6.519 -16.621 1.00 2.21 C ATOM 483 CD2 TYR A 32 -0.690 -7.543 -18.770 1.00 41.42 C ATOM 484 CE1 TYR A 32 0.560 -6.671 -16.471 1.00 1.10 C ATOM 485 CE2 TYR A 32 0.676 -7.700 -18.627 1.00 0.12 C ATOM 486 CZ TYR A 32 1.295 -7.261 -17.476 1.00 70.01 C ATOM 487 OH TYR A 32 2.655 -7.414 -17.331 1.00 34.31 O ATOM 0 H TYR A 32 -4.650 -6.181 -15.913 1.00 1.34 H new ATOM 0 HA TYR A 32 -2.652 -4.696 -17.521 1.00 14.55 H new ATOM 0 HB2 TYR A 32 -3.455 -7.567 -17.369 1.00 44.01 H new ATOM 0 HB3 TYR A 32 -3.210 -6.923 -18.981 1.00 44.01 H new ATOM 0 HD1 TYR A 32 -1.379 -6.056 -15.831 1.00 2.21 H new ATOM 0 HD2 TYR A 32 -1.172 -7.886 -19.674 1.00 41.42 H new ATOM 0 HE1 TYR A 32 1.048 -6.329 -15.571 1.00 1.10 H new ATOM 0 HE2 TYR A 32 1.255 -8.164 -19.412 1.00 0.12 H new ATOM 0 HH TYR A 32 2.867 -8.364 -17.216 1.00 34.31 H new ATOM 497 N THR A 33 -4.298 -3.964 -19.216 1.00 12.42 N ATOM 498 CA THR A 33 -5.286 -3.424 -20.140 1.00 70.00 C ATOM 499 C THR A 33 -5.302 -4.208 -21.448 1.00 44.51 C ATOM 500 O THR A 33 -4.301 -4.263 -22.161 1.00 22.54 O ATOM 501 CB THR A 33 -5.016 -1.940 -20.448 1.00 0.30 C ATOM 502 OG1 THR A 33 -4.408 -1.307 -19.315 1.00 62.20 O ATOM 503 CG2 THR A 33 -6.305 -1.217 -20.807 1.00 52.41 C ATOM 0 H THR A 33 -3.381 -3.521 -19.273 1.00 12.42 H new ATOM 0 HA THR A 33 -6.257 -3.515 -19.653 1.00 70.00 H new ATOM 0 HB THR A 33 -4.339 -1.887 -21.301 1.00 0.30 H new ATOM 0 HG1 THR A 33 -3.595 -0.839 -19.599 1.00 62.20 H new ATOM 0 HG21 THR A 33 -6.088 -0.170 -21.020 1.00 52.41 H new ATOM 0 HG22 THR A 33 -6.750 -1.682 -21.687 1.00 52.41 H new ATOM 0 HG23 THR A 33 -7.002 -1.280 -19.972 1.00 52.41 H new ATOM 511 N PHE A 34 -6.445 -4.812 -21.757 1.00 20.02 N ATOM 512 CA PHE A 34 -6.591 -5.593 -22.979 1.00 51.35 C ATOM 513 C PHE A 34 -6.761 -4.680 -24.190 1.00 63.42 C ATOM 514 O PHE A 34 -7.784 -4.011 -24.338 1.00 51.44 O ATOM 515 CB PHE A 34 -7.790 -6.538 -22.865 1.00 74.40 C ATOM 516 CG PHE A 34 -8.106 -7.259 -24.144 1.00 73.23 C ATOM 517 CD1 PHE A 34 -7.104 -7.879 -24.872 1.00 15.04 C ATOM 518 CD2 PHE A 34 -9.407 -7.317 -24.619 1.00 54.34 C ATOM 519 CE1 PHE A 34 -7.393 -8.545 -26.049 1.00 11.43 C ATOM 520 CE2 PHE A 34 -9.703 -7.980 -25.794 1.00 31.14 C ATOM 521 CZ PHE A 34 -8.694 -8.594 -26.510 1.00 71.33 C ATOM 0 H PHE A 34 -7.284 -4.775 -21.177 1.00 20.02 H new ATOM 0 HA PHE A 34 -5.684 -6.183 -23.115 1.00 51.35 H new ATOM 0 HB2 PHE A 34 -7.592 -7.271 -22.083 1.00 74.40 H new ATOM 0 HB3 PHE A 34 -8.665 -5.967 -22.553 1.00 74.40 H new ATOM 0 HD1 PHE A 34 -6.085 -7.842 -24.516 1.00 15.04 H new ATOM 0 HD2 PHE A 34 -10.199 -6.838 -24.063 1.00 54.34 H new ATOM 0 HE1 PHE A 34 -6.603 -9.026 -26.607 1.00 11.43 H new ATOM 0 HE2 PHE A 34 -10.721 -8.018 -26.152 1.00 31.14 H new ATOM 0 HZ PHE A 34 -8.922 -9.112 -27.430 1.00 71.33 H new ATOM 531 N HIS A 35 -5.750 -4.659 -25.054 1.00 30.12 N ATOM 532 CA HIS A 35 -5.788 -3.829 -26.252 1.00 4.21 C ATOM 533 C HIS A 35 -5.697 -4.688 -27.510 1.00 71.42 C ATOM 534 O HIS A 35 -4.677 -5.329 -27.764 1.00 23.35 O ATOM 535 CB HIS A 35 -4.644 -2.814 -26.231 1.00 32.13 C ATOM 536 CG HIS A 35 -4.956 -1.577 -25.447 1.00 2.30 C ATOM 537 ND1 HIS A 35 -5.983 -1.506 -24.530 1.00 73.35 N ATOM 538 CD2 HIS A 35 -4.368 -0.357 -25.446 1.00 54.12 C ATOM 539 CE1 HIS A 35 -6.015 -0.295 -24.001 1.00 51.22 C ATOM 540 NE2 HIS A 35 -5.045 0.420 -24.540 1.00 32.22 N ATOM 0 H HIS A 35 -4.896 -5.207 -24.946 1.00 30.12 H new ATOM 0 HA HIS A 35 -6.738 -3.295 -26.265 1.00 4.21 H new ATOM 0 HB2 HIS A 35 -3.757 -3.287 -25.810 1.00 32.13 H new ATOM 0 HB3 HIS A 35 -4.399 -2.533 -27.255 1.00 32.13 H new ATOM 0 HD2 HIS A 35 -3.524 -0.052 -26.046 1.00 54.12 H new ATOM 0 HE1 HIS A 35 -6.715 0.051 -23.255 1.00 51.22 H new ATOM 0 HE2 HIS A 35 -4.833 1.393 -24.319 1.00 32.22 H new ATOM 548 N ASP A 36 -6.770 -4.695 -28.293 1.00 25.23 N ATOM 549 CA ASP A 36 -6.813 -5.475 -29.525 1.00 42.21 C ATOM 550 C ASP A 36 -6.264 -4.669 -30.698 1.00 1.23 C ATOM 551 O ASP A 36 -6.491 -3.463 -30.795 1.00 31.51 O ATOM 552 CB ASP A 36 -8.245 -5.921 -29.822 1.00 24.32 C ATOM 553 CG ASP A 36 -8.305 -7.015 -30.870 1.00 34.45 C ATOM 554 OD1 ASP A 36 -8.368 -6.682 -32.072 1.00 21.31 O ATOM 555 OD2 ASP A 36 -8.290 -8.204 -30.489 1.00 70.42 O ATOM 0 H ASP A 36 -7.622 -4.169 -28.097 1.00 25.23 H new ATOM 0 HA ASP A 36 -6.187 -6.357 -29.389 1.00 42.21 H new ATOM 0 HB2 ASP A 36 -8.710 -6.277 -28.902 1.00 24.32 H new ATOM 0 HB3 ASP A 36 -8.826 -5.064 -30.162 1.00 24.32 H new ATOM 560 N TYR A 37 -5.541 -5.342 -31.585 1.00 30.14 N ATOM 561 CA TYR A 37 -4.957 -4.688 -32.750 1.00 33.02 C ATOM 562 C TYR A 37 -6.013 -3.898 -33.518 1.00 52.25 C ATOM 563 O TYR A 37 -5.718 -2.862 -34.114 1.00 44.22 O ATOM 564 CB TYR A 37 -4.308 -5.723 -33.670 1.00 4.33 C ATOM 565 CG TYR A 37 -5.305 -6.535 -34.466 1.00 34.33 C ATOM 566 CD1 TYR A 37 -6.149 -7.442 -33.839 1.00 74.22 C ATOM 567 CD2 TYR A 37 -5.401 -6.396 -35.846 1.00 30.14 C ATOM 568 CE1 TYR A 37 -7.061 -8.187 -34.561 1.00 34.11 C ATOM 569 CE2 TYR A 37 -6.312 -7.135 -36.575 1.00 74.45 C ATOM 570 CZ TYR A 37 -7.138 -8.029 -35.929 1.00 12.12 C ATOM 571 OH TYR A 37 -8.045 -8.769 -36.654 1.00 41.03 O ATOM 0 H TYR A 37 -5.345 -6.341 -31.520 1.00 30.14 H new ATOM 0 HA TYR A 37 -4.193 -3.993 -32.400 1.00 33.02 H new ATOM 0 HB2 TYR A 37 -3.635 -5.213 -34.359 1.00 4.33 H new ATOM 0 HB3 TYR A 37 -3.698 -6.399 -33.070 1.00 4.33 H new ATOM 0 HD1 TYR A 37 -6.091 -7.567 -32.768 1.00 74.22 H new ATOM 0 HD2 TYR A 37 -4.753 -5.699 -36.356 1.00 30.14 H new ATOM 0 HE1 TYR A 37 -7.710 -8.889 -34.058 1.00 34.11 H new ATOM 0 HE2 TYR A 37 -6.377 -7.013 -37.646 1.00 74.45 H new ATOM 0 HH TYR A 37 -7.972 -8.537 -37.603 1.00 41.03 H new ATOM 581 N LYS A 38 -7.244 -4.395 -33.498 1.00 0.11 N ATOM 582 CA LYS A 38 -8.347 -3.738 -34.190 1.00 54.34 C ATOM 583 C LYS A 38 -8.996 -2.685 -33.300 1.00 63.30 C ATOM 584 O LYS A 38 -9.242 -1.557 -33.730 1.00 51.11 O ATOM 585 CB LYS A 38 -9.391 -4.769 -34.624 1.00 63.31 C ATOM 586 CG LYS A 38 -10.512 -4.181 -35.463 1.00 54.42 C ATOM 587 CD LYS A 38 -11.167 -5.238 -36.337 1.00 63.40 C ATOM 588 CE LYS A 38 -10.390 -5.454 -37.627 1.00 74.30 C ATOM 589 NZ LYS A 38 -11.106 -6.368 -38.560 1.00 30.43 N ATOM 0 H LYS A 38 -7.504 -5.252 -33.010 1.00 0.11 H new ATOM 0 HA LYS A 38 -7.945 -3.243 -35.074 1.00 54.34 H new ATOM 0 HB2 LYS A 38 -8.897 -5.557 -35.193 1.00 63.31 H new ATOM 0 HB3 LYS A 38 -9.819 -5.237 -33.737 1.00 63.31 H new ATOM 0 HG2 LYS A 38 -11.260 -3.733 -34.809 1.00 54.42 H new ATOM 0 HG3 LYS A 38 -10.117 -3.382 -36.091 1.00 54.42 H new ATOM 0 HD2 LYS A 38 -11.231 -6.177 -35.788 1.00 63.40 H new ATOM 0 HD3 LYS A 38 -12.188 -4.936 -36.572 1.00 63.40 H new ATOM 0 HE2 LYS A 38 -10.223 -4.494 -38.116 1.00 74.30 H new ATOM 0 HE3 LYS A 38 -9.409 -5.868 -37.395 1.00 74.30 H new ATOM 0 HZ1 LYS A 38 -10.544 -6.489 -39.427 1.00 30.43 H new ATOM 0 HZ2 LYS A 38 -11.243 -7.292 -38.104 1.00 30.43 H new ATOM 0 HZ3 LYS A 38 -12.032 -5.961 -38.802 1.00 30.43 H new ATOM 603 N LYS A 39 -9.273 -3.057 -32.054 1.00 13.11 N ATOM 604 CA LYS A 39 -9.892 -2.145 -31.101 1.00 43.13 C ATOM 605 C LYS A 39 -9.092 -0.851 -30.988 1.00 2.14 C ATOM 606 O LYS A 39 -9.656 0.243 -31.024 1.00 41.33 O ATOM 607 CB LYS A 39 -10.005 -2.808 -29.727 1.00 74.40 C ATOM 608 CG LYS A 39 -10.801 -1.995 -28.722 1.00 14.42 C ATOM 609 CD LYS A 39 -12.293 -2.244 -28.860 1.00 32.52 C ATOM 610 CE LYS A 39 -12.722 -3.495 -28.109 1.00 13.12 C ATOM 611 NZ LYS A 39 -12.738 -3.280 -26.636 1.00 4.24 N ATOM 0 H LYS A 39 -9.078 -3.986 -31.681 1.00 13.11 H new ATOM 0 HA LYS A 39 -10.891 -1.904 -31.464 1.00 43.13 H new ATOM 0 HB2 LYS A 39 -10.473 -3.786 -29.842 1.00 74.40 H new ATOM 0 HB3 LYS A 39 -9.004 -2.978 -29.332 1.00 74.40 H new ATOM 0 HG2 LYS A 39 -10.481 -2.249 -27.712 1.00 14.42 H new ATOM 0 HG3 LYS A 39 -10.593 -0.934 -28.865 1.00 14.42 H new ATOM 0 HD2 LYS A 39 -12.843 -1.383 -28.479 1.00 32.52 H new ATOM 0 HD3 LYS A 39 -12.550 -2.346 -29.914 1.00 32.52 H new ATOM 0 HE2 LYS A 39 -13.715 -3.796 -28.443 1.00 13.12 H new ATOM 0 HE3 LYS A 39 -12.043 -4.313 -28.349 1.00 13.12 H new ATOM 0 HZ1 LYS A 39 -13.253 -4.058 -26.177 1.00 4.24 H new ATOM 0 HZ2 LYS A 39 -11.762 -3.253 -26.279 1.00 4.24 H new ATOM 0 HZ3 LYS A 39 -13.210 -2.379 -26.422 1.00 4.24 H new ATOM 625 N GLU A 40 -7.776 -0.984 -30.854 1.00 43.23 N ATOM 626 CA GLU A 40 -6.900 0.176 -30.736 1.00 30.23 C ATOM 627 C GLU A 40 -6.567 0.748 -32.112 1.00 71.01 C ATOM 628 O GLU A 40 -6.717 1.945 -32.351 1.00 70.35 O ATOM 629 CB GLU A 40 -5.611 -0.203 -30.004 1.00 33.12 C ATOM 630 CG GLU A 40 -5.709 -0.075 -28.494 1.00 71.13 C ATOM 631 CD GLU A 40 -6.012 1.343 -28.047 1.00 51.30 C ATOM 632 OE1 GLU A 40 -5.258 2.261 -28.433 1.00 43.15 O ATOM 633 OE2 GLU A 40 -7.003 1.534 -27.312 1.00 11.55 O ATOM 0 H GLU A 40 -7.294 -1.882 -30.824 1.00 43.23 H new ATOM 0 HA GLU A 40 -7.425 0.939 -30.161 1.00 30.23 H new ATOM 0 HB2 GLU A 40 -5.348 -1.230 -30.257 1.00 33.12 H new ATOM 0 HB3 GLU A 40 -4.800 0.431 -30.362 1.00 33.12 H new ATOM 0 HG2 GLU A 40 -6.489 -0.742 -28.126 1.00 71.13 H new ATOM 0 HG3 GLU A 40 -4.772 -0.401 -28.044 1.00 71.13 H new ATOM 640 N GLY A 41 -6.113 -0.119 -33.013 1.00 12.45 N ATOM 641 CA GLY A 41 -5.765 0.316 -34.352 1.00 0.44 C ATOM 642 C GLY A 41 -4.267 0.423 -34.556 1.00 54.13 C ATOM 643 O GLY A 41 -3.494 0.311 -33.605 1.00 32.21 O ATOM 0 H GLY A 41 -5.980 -1.115 -32.838 1.00 12.45 H new ATOM 0 HA2 GLY A 41 -6.178 -0.385 -35.077 1.00 0.44 H new ATOM 0 HA3 GLY A 41 -6.225 1.285 -34.547 1.00 0.44 H new ATOM 647 N LEU A 42 -3.855 0.640 -35.801 1.00 61.22 N ATOM 648 CA LEU A 42 -2.438 0.760 -36.127 1.00 32.11 C ATOM 649 C LEU A 42 -2.212 1.842 -37.178 1.00 60.11 C ATOM 650 O LEU A 42 -2.922 1.904 -38.183 1.00 61.12 O ATOM 651 CB LEU A 42 -1.895 -0.578 -36.632 1.00 31.00 C ATOM 652 CG LEU A 42 -0.441 -0.888 -36.278 1.00 10.43 C ATOM 653 CD1 LEU A 42 0.492 0.130 -36.914 1.00 61.11 C ATOM 654 CD2 LEU A 42 -0.253 -0.917 -34.768 1.00 25.43 C ATOM 0 H LEU A 42 -4.481 0.736 -36.600 1.00 61.22 H new ATOM 0 HA LEU A 42 -1.904 1.042 -35.220 1.00 32.11 H new ATOM 0 HB2 LEU A 42 -2.523 -1.375 -36.235 1.00 31.00 H new ATOM 0 HB3 LEU A 42 -1.997 -0.603 -37.717 1.00 31.00 H new ATOM 0 HG LEU A 42 -0.194 -1.873 -36.673 1.00 10.43 H new ATOM 0 HD11 LEU A 42 1.523 -0.107 -36.651 1.00 61.11 H new ATOM 0 HD12 LEU A 42 0.378 0.101 -37.998 1.00 61.11 H new ATOM 0 HD13 LEU A 42 0.245 1.127 -36.550 1.00 61.11 H new ATOM 0 HD21 LEU A 42 0.788 -1.139 -34.535 1.00 25.43 H new ATOM 0 HD22 LEU A 42 -0.519 0.054 -34.349 1.00 25.43 H new ATOM 0 HD23 LEU A 42 -0.893 -1.686 -34.336 1.00 25.43 H new ATOM 666 N ASP A 43 -1.218 2.691 -36.942 1.00 24.10 N ATOM 667 CA ASP A 43 -0.895 3.768 -37.869 1.00 33.24 C ATOM 668 C ASP A 43 0.569 3.701 -38.293 1.00 21.14 C ATOM 669 O ASP A 43 1.384 3.048 -37.643 1.00 4.53 O ATOM 670 CB ASP A 43 -1.192 5.126 -37.230 1.00 14.14 C ATOM 671 CG ASP A 43 -2.487 5.124 -36.442 1.00 53.01 C ATOM 672 OD1 ASP A 43 -3.551 4.884 -37.049 1.00 4.11 O ATOM 673 OD2 ASP A 43 -2.436 5.360 -35.217 1.00 52.23 O ATOM 0 H ASP A 43 -0.622 2.654 -36.115 1.00 24.10 H new ATOM 0 HA ASP A 43 -1.517 3.648 -38.756 1.00 33.24 H new ATOM 0 HB2 ASP A 43 -0.369 5.402 -36.570 1.00 14.14 H new ATOM 0 HB3 ASP A 43 -1.245 5.887 -38.009 1.00 14.14 H new ATOM 678 N ALA A 44 0.895 4.381 -39.388 1.00 11.33 N ATOM 679 CA ALA A 44 2.260 4.398 -39.897 1.00 41.31 C ATOM 680 C ALA A 44 3.240 4.867 -38.827 1.00 2.35 C ATOM 681 O ALA A 44 4.354 4.357 -38.726 1.00 3.31 O ATOM 682 CB ALA A 44 2.353 5.290 -41.126 1.00 54.41 C ATOM 0 H ALA A 44 0.232 4.927 -39.939 1.00 11.33 H new ATOM 0 HA ALA A 44 2.529 3.380 -40.178 1.00 41.31 H new ATOM 0 HB1 ALA A 44 3.378 5.294 -41.496 1.00 54.41 H new ATOM 0 HB2 ALA A 44 1.688 4.911 -41.902 1.00 54.41 H new ATOM 0 HB3 ALA A 44 2.059 6.306 -40.861 1.00 54.41 H new ATOM 688 N GLU A 45 2.815 5.843 -38.029 1.00 21.11 N ATOM 689 CA GLU A 45 3.658 6.381 -36.967 1.00 32.33 C ATOM 690 C GLU A 45 4.082 5.280 -35.999 1.00 22.11 C ATOM 691 O GLU A 45 5.266 5.123 -35.699 1.00 3.32 O ATOM 692 CB GLU A 45 2.917 7.485 -36.209 1.00 25.10 C ATOM 693 CG GLU A 45 3.836 8.541 -35.619 1.00 65.44 C ATOM 694 CD GLU A 45 3.151 9.882 -35.449 1.00 54.25 C ATOM 695 OE1 GLU A 45 2.511 10.349 -36.413 1.00 35.42 O ATOM 696 OE2 GLU A 45 3.255 10.465 -34.349 1.00 31.22 O ATOM 0 H GLU A 45 1.894 6.276 -38.098 1.00 21.11 H new ATOM 0 HA GLU A 45 4.553 6.802 -37.425 1.00 32.33 H new ATOM 0 HB2 GLU A 45 2.211 7.967 -36.885 1.00 25.10 H new ATOM 0 HB3 GLU A 45 2.333 7.034 -35.406 1.00 25.10 H new ATOM 0 HG2 GLU A 45 4.202 8.199 -34.651 1.00 65.44 H new ATOM 0 HG3 GLU A 45 4.706 8.661 -36.264 1.00 65.44 H new ATOM 703 N THR A 46 3.105 4.520 -35.512 1.00 73.34 N ATOM 704 CA THR A 46 3.377 3.435 -34.576 1.00 14.20 C ATOM 705 C THR A 46 4.202 2.336 -35.234 1.00 20.44 C ATOM 706 O THR A 46 5.232 1.916 -34.703 1.00 51.10 O ATOM 707 CB THR A 46 2.071 2.826 -34.031 1.00 72.32 C ATOM 708 OG1 THR A 46 1.008 3.781 -34.120 1.00 61.33 O ATOM 709 CG2 THR A 46 2.243 2.385 -32.586 1.00 1.32 C ATOM 0 H THR A 46 2.120 4.636 -35.750 1.00 73.34 H new ATOM 0 HA THR A 46 3.943 3.863 -33.749 1.00 14.20 H new ATOM 0 HB THR A 46 1.824 1.953 -34.635 1.00 72.32 H new ATOM 0 HG1 THR A 46 0.182 3.384 -33.773 1.00 61.33 H new ATOM 0 HG21 THR A 46 1.308 1.958 -32.222 1.00 1.32 H new ATOM 0 HG22 THR A 46 3.032 1.635 -32.526 1.00 1.32 H new ATOM 0 HG23 THR A 46 2.512 3.245 -31.973 1.00 1.32 H new ATOM 717 N LEU A 47 3.746 1.873 -36.393 1.00 41.05 N ATOM 718 CA LEU A 47 4.444 0.821 -37.124 1.00 30.54 C ATOM 719 C LEU A 47 5.900 1.205 -37.372 1.00 4.21 C ATOM 720 O LEU A 47 6.814 0.427 -37.094 1.00 62.44 O ATOM 721 CB LEU A 47 3.743 0.548 -38.455 1.00 40.43 C ATOM 722 CG LEU A 47 3.898 -0.867 -39.017 1.00 30.21 C ATOM 723 CD1 LEU A 47 5.356 -1.160 -39.331 1.00 72.53 C ATOM 724 CD2 LEU A 47 3.344 -1.893 -38.039 1.00 35.34 C ATOM 0 H LEU A 47 2.896 2.209 -36.846 1.00 41.05 H new ATOM 0 HA LEU A 47 4.424 -0.084 -36.517 1.00 30.54 H new ATOM 0 HB2 LEU A 47 2.680 0.754 -38.332 1.00 40.43 H new ATOM 0 HB3 LEU A 47 4.121 1.254 -39.194 1.00 40.43 H new ATOM 0 HG LEU A 47 3.328 -0.934 -39.944 1.00 30.21 H new ATOM 0 HD11 LEU A 47 5.446 -2.171 -39.730 1.00 72.53 H new ATOM 0 HD12 LEU A 47 5.720 -0.445 -40.069 1.00 72.53 H new ATOM 0 HD13 LEU A 47 5.949 -1.075 -38.420 1.00 72.53 H new ATOM 0 HD21 LEU A 47 3.463 -2.893 -38.455 1.00 35.34 H new ATOM 0 HD22 LEU A 47 3.886 -1.826 -37.096 1.00 35.34 H new ATOM 0 HD23 LEU A 47 2.286 -1.696 -37.865 1.00 35.34 H new ATOM 736 N ASP A 48 6.109 2.408 -37.895 1.00 1.01 N ATOM 737 CA ASP A 48 7.453 2.896 -38.178 1.00 1.33 C ATOM 738 C ASP A 48 8.298 2.926 -36.908 1.00 4.12 C ATOM 739 O ASP A 48 9.401 2.380 -36.872 1.00 45.52 O ATOM 740 CB ASP A 48 7.392 4.293 -38.797 1.00 15.35 C ATOM 741 CG ASP A 48 8.669 4.660 -39.527 1.00 42.32 C ATOM 742 OD1 ASP A 48 9.694 4.890 -38.850 1.00 12.50 O ATOM 743 OD2 ASP A 48 8.645 4.716 -40.774 1.00 70.50 O ATOM 0 H ASP A 48 5.364 3.063 -38.132 1.00 1.01 H new ATOM 0 HA ASP A 48 7.919 2.213 -38.888 1.00 1.33 H new ATOM 0 HB2 ASP A 48 6.553 4.343 -39.491 1.00 15.35 H new ATOM 0 HB3 ASP A 48 7.202 5.026 -38.013 1.00 15.35 H new ATOM 748 N ARG A 49 7.775 3.569 -35.870 1.00 40.22 N ATOM 749 CA ARG A 49 8.482 3.672 -34.599 1.00 24.55 C ATOM 750 C ARG A 49 8.802 2.289 -34.041 1.00 53.00 C ATOM 751 O ARG A 49 9.818 2.097 -33.373 1.00 73.52 O ATOM 752 CB ARG A 49 7.648 4.462 -33.589 1.00 41.24 C ATOM 753 CG ARG A 49 7.618 5.958 -33.859 1.00 35.00 C ATOM 754 CD ARG A 49 8.851 6.649 -33.296 1.00 53.11 C ATOM 755 NE ARG A 49 8.701 8.102 -33.274 1.00 73.43 N ATOM 756 CZ ARG A 49 9.454 8.907 -32.534 1.00 12.33 C ATOM 757 NH1 ARG A 49 10.406 8.403 -31.760 1.00 1.45 N ATOM 758 NH2 ARG A 49 9.257 10.219 -32.567 1.00 21.11 N ATOM 0 H ARG A 49 6.864 4.027 -35.884 1.00 40.22 H new ATOM 0 HA ARG A 49 9.420 4.199 -34.776 1.00 24.55 H new ATOM 0 HB2 ARG A 49 6.627 4.080 -33.596 1.00 41.24 H new ATOM 0 HB3 ARG A 49 8.046 4.290 -32.589 1.00 41.24 H new ATOM 0 HG2 ARG A 49 7.559 6.134 -34.933 1.00 35.00 H new ATOM 0 HG3 ARG A 49 6.722 6.391 -33.415 1.00 35.00 H new ATOM 0 HD2 ARG A 49 9.039 6.288 -32.285 1.00 53.11 H new ATOM 0 HD3 ARG A 49 9.721 6.383 -33.896 1.00 53.11 H new ATOM 0 HE ARG A 49 7.978 8.521 -33.859 1.00 73.43 H new ATOM 0 HH11 ARG A 49 10.561 7.395 -31.733 1.00 1.45 H new ATOM 0 HH12 ARG A 49 10.983 9.023 -31.192 1.00 1.45 H new ATOM 0 HH21 ARG A 49 8.526 10.610 -33.161 1.00 21.11 H new ATOM 0 HH22 ARG A 49 9.836 10.836 -31.998 1.00 21.11 H new ATOM 772 N PHE A 50 7.928 1.328 -34.319 1.00 52.05 N ATOM 773 CA PHE A 50 8.115 -0.037 -33.843 1.00 23.30 C ATOM 774 C PHE A 50 9.250 -0.724 -34.596 1.00 71.14 C ATOM 775 O PHE A 50 10.063 -1.434 -34.004 1.00 40.10 O ATOM 776 CB PHE A 50 6.822 -0.839 -34.006 1.00 63.44 C ATOM 777 CG PHE A 50 5.948 -0.820 -32.784 1.00 22.12 C ATOM 778 CD1 PHE A 50 6.442 -1.231 -31.556 1.00 32.42 C ATOM 779 CD2 PHE A 50 4.633 -0.392 -32.864 1.00 14.32 C ATOM 780 CE1 PHE A 50 5.639 -1.216 -30.432 1.00 14.22 C ATOM 781 CE2 PHE A 50 3.826 -0.374 -31.742 1.00 41.31 C ATOM 782 CZ PHE A 50 4.330 -0.786 -30.524 1.00 24.45 C ATOM 0 H PHE A 50 7.083 1.469 -34.872 1.00 52.05 H new ATOM 0 HA PHE A 50 8.377 0.006 -32.786 1.00 23.30 H new ATOM 0 HB2 PHE A 50 6.261 -0.441 -34.851 1.00 63.44 H new ATOM 0 HB3 PHE A 50 7.072 -1.872 -34.248 1.00 63.44 H new ATOM 0 HD1 PHE A 50 7.466 -1.567 -31.477 1.00 32.42 H new ATOM 0 HD2 PHE A 50 4.234 -0.069 -33.814 1.00 14.32 H new ATOM 0 HE1 PHE A 50 6.035 -1.541 -29.481 1.00 14.22 H new ATOM 0 HE2 PHE A 50 2.802 -0.038 -31.818 1.00 41.31 H new ATOM 0 HZ PHE A 50 3.702 -0.772 -29.646 1.00 24.45 H new ATOM 792 N LEU A 51 9.299 -0.508 -35.906 1.00 22.50 N ATOM 793 CA LEU A 51 10.333 -1.107 -36.743 1.00 0.23 C ATOM 794 C LEU A 51 11.707 -0.535 -36.402 1.00 53.31 C ATOM 795 O LEU A 51 12.705 -1.255 -36.386 1.00 22.12 O ATOM 796 CB LEU A 51 10.022 -0.869 -38.222 1.00 24.51 C ATOM 797 CG LEU A 51 10.515 -1.944 -39.192 1.00 22.33 C ATOM 798 CD1 LEU A 51 12.020 -2.126 -39.068 1.00 70.24 C ATOM 799 CD2 LEU A 51 9.794 -3.259 -38.940 1.00 23.22 C ATOM 0 H LEU A 51 8.634 0.078 -36.412 1.00 22.50 H new ATOM 0 HA LEU A 51 10.347 -2.180 -36.550 1.00 0.23 H new ATOM 0 HB2 LEU A 51 8.942 -0.773 -38.335 1.00 24.51 H new ATOM 0 HB3 LEU A 51 10.459 0.085 -38.516 1.00 24.51 H new ATOM 0 HG LEU A 51 10.292 -1.619 -40.208 1.00 22.33 H new ATOM 0 HD11 LEU A 51 12.352 -2.895 -39.766 1.00 70.24 H new ATOM 0 HD12 LEU A 51 12.520 -1.186 -39.299 1.00 70.24 H new ATOM 0 HD13 LEU A 51 12.267 -2.428 -38.050 1.00 70.24 H new ATOM 0 HD21 LEU A 51 10.157 -4.013 -39.639 1.00 23.22 H new ATOM 0 HD22 LEU A 51 9.985 -3.589 -37.919 1.00 23.22 H new ATOM 0 HD23 LEU A 51 8.722 -3.119 -39.081 1.00 23.22 H new ATOM 811 N LYS A 52 11.749 0.765 -36.129 1.00 72.22 N ATOM 812 CA LYS A 52 12.999 1.433 -35.785 1.00 13.04 C ATOM 813 C LYS A 52 13.484 1.004 -34.404 1.00 1.22 C ATOM 814 O LYS A 52 14.639 0.613 -34.234 1.00 22.51 O ATOM 815 CB LYS A 52 12.815 2.953 -35.823 1.00 14.41 C ATOM 816 CG LYS A 52 12.712 3.518 -37.228 1.00 64.25 C ATOM 817 CD LYS A 52 12.549 5.028 -37.212 1.00 12.02 C ATOM 818 CE LYS A 52 13.887 5.731 -37.037 1.00 32.31 C ATOM 819 NZ LYS A 52 14.694 5.706 -38.288 1.00 13.43 N ATOM 0 H LYS A 52 10.933 1.376 -36.139 1.00 72.22 H new ATOM 0 HA LYS A 52 13.750 1.144 -36.520 1.00 13.04 H new ATOM 0 HB2 LYS A 52 11.914 3.215 -35.268 1.00 14.41 H new ATOM 0 HB3 LYS A 52 13.654 3.425 -35.311 1.00 14.41 H new ATOM 0 HG2 LYS A 52 13.606 3.254 -37.794 1.00 64.25 H new ATOM 0 HG3 LYS A 52 11.864 3.065 -37.742 1.00 64.25 H new ATOM 0 HD2 LYS A 52 12.084 5.355 -38.142 1.00 12.02 H new ATOM 0 HD3 LYS A 52 11.878 5.314 -36.402 1.00 12.02 H new ATOM 0 HE2 LYS A 52 13.718 6.764 -36.735 1.00 32.31 H new ATOM 0 HE3 LYS A 52 14.447 5.252 -36.234 1.00 32.31 H new ATOM 0 HZ1 LYS A 52 15.507 6.347 -38.190 1.00 13.43 H new ATOM 0 HZ2 LYS A 52 15.035 4.739 -38.462 1.00 13.43 H new ATOM 0 HZ3 LYS A 52 14.105 6.014 -39.087 1.00 13.43 H new ATOM 833 N THR A 53 12.594 1.077 -33.420 1.00 24.20 N ATOM 834 CA THR A 53 12.930 0.696 -32.055 1.00 34.52 C ATOM 835 C THR A 53 13.180 -0.804 -31.949 1.00 21.14 C ATOM 836 O THR A 53 13.926 -1.261 -31.081 1.00 72.44 O ATOM 837 CB THR A 53 11.814 1.089 -31.069 1.00 24.53 C ATOM 838 OG1 THR A 53 11.455 2.462 -31.259 1.00 13.12 O ATOM 839 CG2 THR A 53 12.259 0.871 -29.631 1.00 64.44 C ATOM 0 H THR A 53 11.633 1.397 -33.544 1.00 24.20 H new ATOM 0 HA THR A 53 13.841 1.234 -31.793 1.00 34.52 H new ATOM 0 HB THR A 53 10.948 0.456 -31.264 1.00 24.53 H new ATOM 0 HG1 THR A 53 10.733 2.523 -31.919 1.00 13.12 H new ATOM 0 HG21 THR A 53 11.454 1.156 -28.954 1.00 64.44 H new ATOM 0 HG22 THR A 53 12.504 -0.180 -29.481 1.00 64.44 H new ATOM 0 HG23 THR A 53 13.138 1.481 -29.426 1.00 64.44 H new ATOM 847 N VAL A 54 12.553 -1.569 -32.837 1.00 5.34 N ATOM 848 CA VAL A 54 12.709 -3.019 -32.844 1.00 43.11 C ATOM 849 C VAL A 54 12.593 -3.576 -34.259 1.00 50.42 C ATOM 850 O VAL A 54 11.688 -3.229 -35.017 1.00 41.32 O ATOM 851 CB VAL A 54 11.659 -3.700 -31.948 1.00 32.21 C ATOM 852 CG1 VAL A 54 11.849 -5.210 -31.955 1.00 15.02 C ATOM 853 CG2 VAL A 54 11.733 -3.153 -30.530 1.00 51.22 C ATOM 0 H VAL A 54 11.932 -1.209 -33.561 1.00 5.34 H new ATOM 0 HA VAL A 54 13.703 -3.233 -32.452 1.00 43.11 H new ATOM 0 HB VAL A 54 10.669 -3.480 -32.347 1.00 32.21 H new ATOM 0 HG11 VAL A 54 11.098 -5.674 -31.316 1.00 15.02 H new ATOM 0 HG12 VAL A 54 11.742 -5.585 -32.973 1.00 15.02 H new ATOM 0 HG13 VAL A 54 12.844 -5.453 -31.581 1.00 15.02 H new ATOM 0 HG21 VAL A 54 10.984 -3.646 -29.910 1.00 51.22 H new ATOM 0 HG22 VAL A 54 12.725 -3.341 -30.119 1.00 51.22 H new ATOM 0 HG23 VAL A 54 11.544 -2.080 -30.544 1.00 51.22 H new ATOM 863 N PRO A 55 13.531 -4.462 -34.623 1.00 2.25 N ATOM 864 CA PRO A 55 13.556 -5.089 -35.948 1.00 2.03 C ATOM 865 C PRO A 55 12.408 -6.074 -36.145 1.00 74.41 C ATOM 866 O PRO A 55 12.007 -6.767 -35.212 1.00 51.24 O ATOM 867 CB PRO A 55 14.899 -5.821 -35.970 1.00 33.24 C ATOM 868 CG PRO A 55 15.211 -6.083 -34.536 1.00 34.23 C ATOM 869 CD PRO A 55 14.640 -4.922 -33.771 1.00 62.25 C ATOM 0 HA PRO A 55 13.442 -4.357 -36.747 1.00 2.03 H new ATOM 0 HB2 PRO A 55 14.835 -6.750 -36.537 1.00 33.24 H new ATOM 0 HB3 PRO A 55 15.673 -5.214 -36.439 1.00 33.24 H new ATOM 0 HG2 PRO A 55 14.770 -7.023 -34.206 1.00 34.23 H new ATOM 0 HG3 PRO A 55 16.287 -6.163 -34.379 1.00 34.23 H new ATOM 0 HD2 PRO A 55 14.289 -5.225 -32.784 1.00 62.25 H new ATOM 0 HD3 PRO A 55 15.382 -4.138 -33.619 1.00 62.25 H new ATOM 877 N TRP A 56 11.886 -6.130 -37.365 1.00 2.13 N ATOM 878 CA TRP A 56 10.785 -7.032 -37.683 1.00 72.32 C ATOM 879 C TRP A 56 11.113 -8.461 -37.266 1.00 33.30 C ATOM 880 O TRP A 56 10.222 -9.233 -36.913 1.00 54.31 O ATOM 881 CB TRP A 56 10.476 -6.984 -39.181 1.00 43.12 C ATOM 882 CG TRP A 56 11.680 -7.208 -40.044 1.00 71.25 C ATOM 883 CD1 TRP A 56 12.511 -6.253 -40.558 1.00 71.41 C ATOM 884 CD2 TRP A 56 12.188 -8.468 -40.494 1.00 63.01 C ATOM 885 NE1 TRP A 56 13.504 -6.844 -41.300 1.00 11.50 N ATOM 886 CE2 TRP A 56 13.330 -8.202 -41.277 1.00 54.44 C ATOM 887 CE3 TRP A 56 11.793 -9.796 -40.312 1.00 64.22 C ATOM 888 CZ2 TRP A 56 14.075 -9.215 -41.875 1.00 2.44 C ATOM 889 CZ3 TRP A 56 12.533 -10.799 -40.907 1.00 44.31 C ATOM 890 CH2 TRP A 56 13.663 -10.505 -41.679 1.00 14.15 C ATOM 0 H TRP A 56 12.207 -5.562 -38.149 1.00 2.13 H new ATOM 0 HA TRP A 56 9.907 -6.703 -37.126 1.00 72.32 H new ATOM 0 HB2 TRP A 56 9.725 -7.739 -39.414 1.00 43.12 H new ATOM 0 HB3 TRP A 56 10.039 -6.015 -39.424 1.00 43.12 H new ATOM 0 HD1 TRP A 56 12.403 -5.190 -40.403 1.00 71.41 H new ATOM 0 HE1 TRP A 56 14.251 -6.351 -41.789 1.00 11.50 H new ATOM 0 HE3 TRP A 56 10.924 -10.034 -39.716 1.00 64.22 H new ATOM 0 HZ2 TRP A 56 14.947 -8.991 -42.472 1.00 2.44 H new ATOM 0 HZ3 TRP A 56 12.234 -11.828 -40.774 1.00 44.31 H new ATOM 0 HH2 TRP A 56 14.221 -11.313 -42.129 1.00 14.15 H new ATOM 901 N GLU A 57 12.396 -8.806 -37.308 1.00 24.51 N ATOM 902 CA GLU A 57 12.840 -10.143 -36.933 1.00 64.15 C ATOM 903 C GLU A 57 12.337 -10.514 -35.541 1.00 74.11 C ATOM 904 O GLU A 57 12.077 -11.682 -35.254 1.00 43.02 O ATOM 905 CB GLU A 57 14.366 -10.229 -36.976 1.00 44.32 C ATOM 906 CG GLU A 57 15.053 -9.387 -35.914 1.00 74.32 C ATOM 907 CD GLU A 57 16.411 -8.877 -36.361 1.00 2.22 C ATOM 908 OE1 GLU A 57 16.493 -8.295 -37.462 1.00 73.32 O ATOM 909 OE2 GLU A 57 17.389 -9.061 -35.608 1.00 35.22 O ATOM 0 H GLU A 57 13.146 -8.178 -37.598 1.00 24.51 H new ATOM 0 HA GLU A 57 12.424 -10.850 -37.651 1.00 64.15 H new ATOM 0 HB2 GLU A 57 14.666 -11.270 -36.853 1.00 44.32 H new ATOM 0 HB3 GLU A 57 14.712 -9.911 -37.960 1.00 44.32 H new ATOM 0 HG2 GLU A 57 14.416 -8.539 -35.660 1.00 74.32 H new ATOM 0 HG3 GLU A 57 15.172 -9.979 -35.007 1.00 74.32 H new ATOM 916 N GLN A 58 12.205 -9.509 -34.680 1.00 73.33 N ATOM 917 CA GLN A 58 11.735 -9.729 -33.318 1.00 13.45 C ATOM 918 C GLN A 58 10.449 -8.952 -33.052 1.00 24.32 C ATOM 919 O GLN A 58 10.148 -8.601 -31.911 1.00 52.14 O ATOM 920 CB GLN A 58 12.810 -9.316 -32.311 1.00 52.31 C ATOM 921 CG GLN A 58 14.027 -10.227 -32.314 1.00 2.22 C ATOM 922 CD GLN A 58 14.734 -10.260 -30.973 1.00 73.04 C ATOM 923 OE1 GLN A 58 14.368 -11.030 -30.084 1.00 12.51 O ATOM 924 NE2 GLN A 58 15.754 -9.423 -30.820 1.00 11.14 N ATOM 0 H GLN A 58 12.417 -8.536 -34.902 1.00 73.33 H new ATOM 0 HA GLN A 58 11.526 -10.793 -33.202 1.00 13.45 H new ATOM 0 HB2 GLN A 58 13.129 -8.297 -32.530 1.00 52.31 H new ATOM 0 HB3 GLN A 58 12.376 -9.307 -31.311 1.00 52.31 H new ATOM 0 HG2 GLN A 58 13.719 -11.237 -32.583 1.00 2.22 H new ATOM 0 HG3 GLN A 58 14.725 -9.892 -33.081 1.00 2.22 H new ATOM 0 HE21 GLN A 58 16.023 -8.802 -31.583 1.00 11.14 H new ATOM 0 HE22 GLN A 58 16.268 -9.401 -29.939 1.00 11.14 H new ATOM 933 N LEU A 59 9.695 -8.688 -34.114 1.00 41.15 N ATOM 934 CA LEU A 59 8.441 -7.952 -33.996 1.00 23.12 C ATOM 935 C LEU A 59 7.257 -8.829 -34.387 1.00 51.11 C ATOM 936 O LEU A 59 6.119 -8.566 -33.994 1.00 4.12 O ATOM 937 CB LEU A 59 8.476 -6.701 -34.877 1.00 20.44 C ATOM 938 CG LEU A 59 7.587 -5.541 -34.430 1.00 33.41 C ATOM 939 CD1 LEU A 59 8.264 -4.739 -33.330 1.00 5.54 C ATOM 940 CD2 LEU A 59 7.245 -4.645 -35.612 1.00 61.44 C ATOM 0 H LEU A 59 9.930 -8.972 -35.065 1.00 41.15 H new ATOM 0 HA LEU A 59 8.320 -7.653 -32.955 1.00 23.12 H new ATOM 0 HB2 LEU A 59 9.505 -6.345 -34.928 1.00 20.44 H new ATOM 0 HB3 LEU A 59 8.187 -6.985 -35.889 1.00 20.44 H new ATOM 0 HG LEU A 59 6.660 -5.953 -34.031 1.00 33.41 H new ATOM 0 HD11 LEU A 59 7.615 -3.918 -33.026 1.00 5.54 H new ATOM 0 HD12 LEU A 59 8.456 -5.386 -32.474 1.00 5.54 H new ATOM 0 HD13 LEU A 59 9.207 -4.337 -33.700 1.00 5.54 H new ATOM 0 HD21 LEU A 59 6.611 -3.824 -35.275 1.00 61.44 H new ATOM 0 HD22 LEU A 59 8.163 -4.242 -36.041 1.00 61.44 H new ATOM 0 HD23 LEU A 59 6.716 -5.226 -36.367 1.00 61.44 H new ATOM 952 N LEU A 60 7.530 -9.873 -35.163 1.00 55.45 N ATOM 953 CA LEU A 60 6.487 -10.791 -35.605 1.00 62.31 C ATOM 954 C LEU A 60 6.811 -12.224 -35.192 1.00 44.10 C ATOM 955 O LEU A 60 7.977 -12.611 -35.125 1.00 61.30 O ATOM 956 CB LEU A 60 6.321 -10.712 -37.124 1.00 44.32 C ATOM 957 CG LEU A 60 7.419 -11.377 -37.955 1.00 11.04 C ATOM 958 CD1 LEU A 60 6.897 -12.645 -38.612 1.00 41.24 C ATOM 959 CD2 LEU A 60 7.952 -10.411 -39.003 1.00 71.44 C ATOM 0 H LEU A 60 8.465 -10.104 -35.499 1.00 55.45 H new ATOM 0 HA LEU A 60 5.553 -10.497 -35.127 1.00 62.31 H new ATOM 0 HB2 LEU A 60 5.367 -11.167 -37.389 1.00 44.32 H new ATOM 0 HB3 LEU A 60 6.263 -9.661 -37.409 1.00 44.32 H new ATOM 0 HG LEU A 60 8.238 -11.649 -37.290 1.00 11.04 H new ATOM 0 HD11 LEU A 60 7.692 -13.104 -39.199 1.00 41.24 H new ATOM 0 HD12 LEU A 60 6.564 -13.342 -37.843 1.00 41.24 H new ATOM 0 HD13 LEU A 60 6.060 -12.398 -39.265 1.00 41.24 H new ATOM 0 HD21 LEU A 60 8.733 -10.900 -39.585 1.00 71.44 H new ATOM 0 HD22 LEU A 60 7.141 -10.109 -39.665 1.00 71.44 H new ATOM 0 HD23 LEU A 60 8.365 -9.531 -38.510 1.00 71.44 H new ATOM 971 N ASN A 61 5.771 -13.004 -34.918 1.00 14.22 N ATOM 972 CA ASN A 61 5.945 -14.394 -34.512 1.00 33.24 C ATOM 973 C ASN A 61 6.858 -15.135 -35.487 1.00 54.15 C ATOM 974 O ASN A 61 6.825 -14.888 -36.692 1.00 1.23 O ATOM 975 CB ASN A 61 4.589 -15.097 -34.433 1.00 52.35 C ATOM 976 CG ASN A 61 3.636 -14.641 -35.520 1.00 2.34 C ATOM 977 OD1 ASN A 61 2.555 -14.124 -35.237 1.00 42.20 O ATOM 978 ND2 ASN A 61 4.032 -14.831 -36.773 1.00 71.33 N ATOM 0 H ASN A 61 4.799 -12.698 -34.970 1.00 14.22 H new ATOM 0 HA ASN A 61 6.410 -14.403 -33.526 1.00 33.24 H new ATOM 0 HB2 ASN A 61 4.736 -16.174 -34.512 1.00 52.35 H new ATOM 0 HB3 ASN A 61 4.141 -14.907 -33.458 1.00 52.35 H new ATOM 0 HD21 ASN A 61 3.432 -14.545 -37.546 1.00 71.33 H new ATOM 0 HD22 ASN A 61 4.936 -15.263 -36.962 1.00 71.33 H new ATOM 985 N ARG A 62 7.670 -16.043 -34.955 1.00 14.43 N ATOM 986 CA ARG A 62 8.591 -16.818 -35.776 1.00 62.32 C ATOM 987 C ARG A 62 8.192 -18.292 -35.797 1.00 71.20 C ATOM 988 O ARG A 62 8.328 -18.967 -36.817 1.00 73.11 O ATOM 989 CB ARG A 62 10.021 -16.673 -35.251 1.00 1.22 C ATOM 990 CG ARG A 62 10.597 -15.278 -35.432 1.00 71.45 C ATOM 991 CD ARG A 62 10.338 -14.407 -34.213 1.00 72.42 C ATOM 992 NE ARG A 62 11.067 -14.879 -33.038 1.00 15.00 N ATOM 993 CZ ARG A 62 11.041 -14.265 -31.861 1.00 45.11 C ATOM 994 NH1 ARG A 62 10.326 -13.159 -31.702 1.00 32.15 N ATOM 995 NH2 ARG A 62 11.730 -14.756 -30.839 1.00 4.03 N ATOM 0 H ARG A 62 7.708 -16.260 -33.959 1.00 14.43 H new ATOM 0 HA ARG A 62 8.544 -16.432 -36.794 1.00 62.32 H new ATOM 0 HB2 ARG A 62 10.038 -16.929 -34.192 1.00 1.22 H new ATOM 0 HB3 ARG A 62 10.662 -17.391 -35.763 1.00 1.22 H new ATOM 0 HG2 ARG A 62 11.670 -15.346 -35.610 1.00 71.45 H new ATOM 0 HG3 ARG A 62 10.156 -14.813 -36.314 1.00 71.45 H new ATOM 0 HD2 ARG A 62 10.630 -13.380 -34.433 1.00 72.42 H new ATOM 0 HD3 ARG A 62 9.270 -14.395 -33.996 1.00 72.42 H new ATOM 0 HE ARG A 62 11.627 -15.727 -33.127 1.00 15.00 H new ATOM 0 HH11 ARG A 62 9.794 -12.778 -32.485 1.00 32.15 H new ATOM 0 HH12 ARG A 62 10.308 -12.689 -30.797 1.00 32.15 H new ATOM 0 HH21 ARG A 62 12.281 -15.606 -30.957 1.00 4.03 H new ATOM 0 HH22 ARG A 62 11.709 -14.283 -29.936 1.00 4.03 H new ATOM 1009 N ALA A 63 7.699 -18.782 -34.664 1.00 13.41 N ATOM 1010 CA ALA A 63 7.280 -20.173 -34.554 1.00 11.25 C ATOM 1011 C ALA A 63 5.760 -20.293 -34.587 1.00 40.23 C ATOM 1012 O ALA A 63 5.218 -21.343 -34.928 1.00 15.22 O ATOM 1013 CB ALA A 63 7.832 -20.791 -33.277 1.00 4.01 C ATOM 0 H ALA A 63 7.580 -18.236 -33.810 1.00 13.41 H new ATOM 0 HA ALA A 63 7.680 -20.716 -35.410 1.00 11.25 H new ATOM 0 HB1 ALA A 63 7.511 -21.830 -33.208 1.00 4.01 H new ATOM 0 HB2 ALA A 63 8.921 -20.748 -33.293 1.00 4.01 H new ATOM 0 HB3 ALA A 63 7.460 -20.238 -32.415 1.00 4.01 H new ATOM 1019 N GLY A 64 5.078 -19.209 -34.230 1.00 15.42 N ATOM 1020 CA GLY A 64 3.627 -19.214 -34.227 1.00 64.14 C ATOM 1021 C GLY A 64 3.045 -19.672 -35.550 1.00 10.02 C ATOM 1022 O GLY A 64 3.650 -19.476 -36.604 1.00 62.15 O ATOM 0 H GLY A 64 5.504 -18.328 -33.943 1.00 15.42 H new ATOM 0 HA2 GLY A 64 3.271 -19.868 -33.431 1.00 64.14 H new ATOM 0 HA3 GLY A 64 3.264 -18.211 -34.002 1.00 64.14 H new ATOM 1026 N THR A 65 1.866 -20.284 -35.496 1.00 32.42 N ATOM 1027 CA THR A 65 1.204 -20.773 -36.698 1.00 14.14 C ATOM 1028 C THR A 65 1.089 -19.674 -37.749 1.00 2.22 C ATOM 1029 O THR A 65 1.138 -19.940 -38.950 1.00 74.54 O ATOM 1030 CB THR A 65 -0.203 -21.316 -36.383 1.00 43.52 C ATOM 1031 OG1 THR A 65 -1.047 -20.252 -35.926 1.00 71.44 O ATOM 1032 CG2 THR A 65 -0.139 -22.408 -35.328 1.00 24.43 C ATOM 0 H THR A 65 1.350 -20.453 -34.632 1.00 32.42 H new ATOM 0 HA THR A 65 1.819 -21.583 -37.090 1.00 14.14 H new ATOM 0 HB THR A 65 -0.617 -21.742 -37.297 1.00 43.52 H new ATOM 0 HG1 THR A 65 -1.940 -20.604 -35.729 1.00 71.44 H new ATOM 0 HG21 THR A 65 -1.145 -22.775 -35.123 1.00 24.43 H new ATOM 0 HG22 THR A 65 0.480 -23.229 -35.691 1.00 24.43 H new ATOM 0 HG23 THR A 65 0.294 -22.005 -34.413 1.00 24.43 H new ATOM 1040 N THR A 66 0.937 -18.436 -37.289 1.00 75.01 N ATOM 1041 CA THR A 66 0.816 -17.296 -38.189 1.00 24.34 C ATOM 1042 C THR A 66 1.967 -17.258 -39.186 1.00 70.12 C ATOM 1043 O THR A 66 1.777 -16.932 -40.359 1.00 31.44 O ATOM 1044 CB THR A 66 0.780 -15.968 -37.411 1.00 53.23 C ATOM 1045 OG1 THR A 66 0.349 -16.199 -36.065 1.00 11.42 O ATOM 1046 CG2 THR A 66 -0.153 -14.971 -38.083 1.00 2.54 C ATOM 0 H THR A 66 0.895 -18.197 -36.298 1.00 75.01 H new ATOM 0 HA THR A 66 -0.123 -17.417 -38.729 1.00 24.34 H new ATOM 0 HB THR A 66 1.787 -15.551 -37.403 1.00 53.23 H new ATOM 0 HG1 THR A 66 0.883 -15.652 -35.452 1.00 11.42 H new ATOM 0 HG21 THR A 66 -0.162 -14.041 -37.515 1.00 2.54 H new ATOM 0 HG22 THR A 66 0.195 -14.774 -39.097 1.00 2.54 H new ATOM 0 HG23 THR A 66 -1.161 -15.383 -38.119 1.00 2.54 H new ATOM 1054 N PHE A 67 3.164 -17.592 -38.714 1.00 31.33 N ATOM 1055 CA PHE A 67 4.348 -17.595 -39.565 1.00 51.22 C ATOM 1056 C PHE A 67 4.382 -18.840 -40.446 1.00 2.20 C ATOM 1057 O PHE A 67 4.822 -18.790 -41.594 1.00 62.22 O ATOM 1058 CB PHE A 67 5.616 -17.525 -38.711 1.00 14.00 C ATOM 1059 CG PHE A 67 6.883 -17.515 -39.518 1.00 64.31 C ATOM 1060 CD1 PHE A 67 7.430 -18.698 -39.988 1.00 12.13 C ATOM 1061 CD2 PHE A 67 7.525 -16.322 -39.809 1.00 15.52 C ATOM 1062 CE1 PHE A 67 8.596 -18.692 -40.730 1.00 72.43 C ATOM 1063 CE2 PHE A 67 8.691 -16.309 -40.551 1.00 33.54 C ATOM 1064 CZ PHE A 67 9.226 -17.496 -41.013 1.00 75.02 C ATOM 0 H PHE A 67 3.339 -17.864 -37.747 1.00 31.33 H new ATOM 0 HA PHE A 67 4.304 -16.717 -40.210 1.00 51.22 H new ATOM 0 HB2 PHE A 67 5.580 -16.627 -38.095 1.00 14.00 H new ATOM 0 HB3 PHE A 67 5.634 -18.377 -38.032 1.00 14.00 H new ATOM 0 HD1 PHE A 67 6.940 -19.636 -39.772 1.00 12.13 H new ATOM 0 HD2 PHE A 67 7.109 -15.391 -39.452 1.00 15.52 H new ATOM 0 HE1 PHE A 67 9.014 -19.621 -41.088 1.00 72.43 H new ATOM 0 HE2 PHE A 67 9.183 -15.373 -40.769 1.00 33.54 H new ATOM 0 HZ PHE A 67 10.136 -17.489 -41.595 1.00 75.02 H new ATOM 1074 N ARG A 68 3.914 -19.957 -39.898 1.00 35.20 N ATOM 1075 CA ARG A 68 3.892 -21.217 -40.632 1.00 13.24 C ATOM 1076 C ARG A 68 2.732 -21.248 -41.622 1.00 42.44 C ATOM 1077 O ARG A 68 2.586 -22.196 -42.395 1.00 51.04 O ATOM 1078 CB ARG A 68 3.782 -22.394 -39.663 1.00 65.20 C ATOM 1079 CG ARG A 68 5.126 -22.965 -39.242 1.00 50.00 C ATOM 1080 CD ARG A 68 5.017 -24.436 -38.873 1.00 44.21 C ATOM 1081 NE ARG A 68 4.654 -25.262 -40.022 1.00 1.04 N ATOM 1082 CZ ARG A 68 4.471 -26.576 -39.953 1.00 43.45 C ATOM 1083 NH1 ARG A 68 4.615 -27.209 -38.797 1.00 73.52 N ATOM 1084 NH2 ARG A 68 4.142 -27.259 -41.042 1.00 33.20 N ATOM 0 H ARG A 68 3.545 -20.015 -38.949 1.00 35.20 H new ATOM 0 HA ARG A 68 4.825 -21.301 -41.189 1.00 13.24 H new ATOM 0 HB2 ARG A 68 3.239 -22.072 -38.774 1.00 65.20 H new ATOM 0 HB3 ARG A 68 3.192 -23.183 -40.129 1.00 65.20 H new ATOM 0 HG2 ARG A 68 5.844 -22.845 -40.054 1.00 50.00 H new ATOM 0 HG3 ARG A 68 5.510 -22.403 -38.391 1.00 50.00 H new ATOM 0 HD2 ARG A 68 5.968 -24.779 -38.466 1.00 44.21 H new ATOM 0 HD3 ARG A 68 4.271 -24.559 -38.088 1.00 44.21 H new ATOM 0 HE ARG A 68 4.535 -24.805 -40.926 1.00 1.04 H new ATOM 0 HH11 ARG A 68 4.867 -26.687 -37.958 1.00 73.52 H new ATOM 0 HH12 ARG A 68 4.474 -28.218 -38.747 1.00 73.52 H new ATOM 0 HH21 ARG A 68 4.029 -26.775 -41.933 1.00 33.20 H new ATOM 0 HH22 ARG A 68 4.002 -28.268 -40.988 1.00 33.20 H new ATOM 1098 N LYS A 69 1.907 -20.207 -41.593 1.00 73.43 N ATOM 1099 CA LYS A 69 0.760 -20.113 -42.488 1.00 73.42 C ATOM 1100 C LYS A 69 1.205 -20.123 -43.947 1.00 41.12 C ATOM 1101 O LYS A 69 0.434 -20.477 -44.840 1.00 52.53 O ATOM 1102 CB LYS A 69 -0.038 -18.841 -42.196 1.00 31.13 C ATOM 1103 CG LYS A 69 -1.516 -18.960 -42.529 1.00 71.24 C ATOM 1104 CD LYS A 69 -2.332 -17.886 -41.830 1.00 50.32 C ATOM 1105 CE LYS A 69 -3.821 -18.193 -41.886 1.00 72.15 C ATOM 1106 NZ LYS A 69 -4.165 -19.415 -41.106 1.00 71.33 N ATOM 0 H LYS A 69 2.012 -19.415 -40.958 1.00 73.43 H new ATOM 0 HA LYS A 69 0.124 -20.981 -42.315 1.00 73.42 H new ATOM 0 HB2 LYS A 69 0.069 -18.589 -41.141 1.00 31.13 H new ATOM 0 HB3 LYS A 69 0.389 -18.016 -42.766 1.00 31.13 H new ATOM 0 HG2 LYS A 69 -1.655 -18.880 -43.607 1.00 71.24 H new ATOM 0 HG3 LYS A 69 -1.879 -19.944 -42.233 1.00 71.24 H new ATOM 0 HD2 LYS A 69 -2.015 -17.805 -40.790 1.00 50.32 H new ATOM 0 HD3 LYS A 69 -2.141 -16.920 -42.297 1.00 50.32 H new ATOM 0 HE2 LYS A 69 -4.382 -17.344 -41.496 1.00 72.15 H new ATOM 0 HE3 LYS A 69 -4.125 -18.327 -42.924 1.00 72.15 H new ATOM 0 HZ1 LYS A 69 -5.180 -19.409 -40.881 1.00 71.33 H new ATOM 0 HZ2 LYS A 69 -3.940 -20.260 -41.668 1.00 71.33 H new ATOM 0 HZ3 LYS A 69 -3.615 -19.430 -40.223 1.00 71.33 H new ATOM 1120 N LEU A 70 2.454 -19.734 -44.182 1.00 1.50 N ATOM 1121 CA LEU A 70 3.003 -19.700 -45.533 1.00 30.25 C ATOM 1122 C LEU A 70 4.206 -20.629 -45.657 1.00 52.51 C ATOM 1123 O LEU A 70 4.881 -20.944 -44.677 1.00 53.44 O ATOM 1124 CB LEU A 70 3.406 -18.272 -45.905 1.00 30.13 C ATOM 1125 CG LEU A 70 2.302 -17.394 -46.496 1.00 75.04 C ATOM 1126 CD1 LEU A 70 1.022 -17.531 -45.687 1.00 23.34 C ATOM 1127 CD2 LEU A 70 2.749 -15.940 -46.549 1.00 52.00 C ATOM 0 H LEU A 70 3.105 -19.438 -43.455 1.00 1.50 H new ATOM 0 HA LEU A 70 2.230 -20.044 -46.221 1.00 30.25 H new ATOM 0 HB2 LEU A 70 3.794 -17.781 -45.012 1.00 30.13 H new ATOM 0 HB3 LEU A 70 4.225 -18.322 -46.622 1.00 30.13 H new ATOM 0 HG LEU A 70 2.102 -17.729 -47.514 1.00 75.04 H new ATOM 0 HD11 LEU A 70 0.247 -16.899 -46.122 1.00 23.34 H new ATOM 0 HD12 LEU A 70 0.693 -18.570 -45.700 1.00 23.34 H new ATOM 0 HD13 LEU A 70 1.207 -17.222 -44.658 1.00 23.34 H new ATOM 0 HD21 LEU A 70 1.951 -15.329 -46.972 1.00 52.00 H new ATOM 0 HD22 LEU A 70 2.976 -15.592 -45.541 1.00 52.00 H new ATOM 0 HD23 LEU A 70 3.640 -15.856 -47.172 1.00 52.00 H new ATOM 1139 N PRO A 71 4.482 -21.079 -46.890 1.00 40.12 N ATOM 1140 CA PRO A 71 5.607 -21.976 -47.171 1.00 21.41 C ATOM 1141 C PRO A 71 6.955 -21.282 -47.015 1.00 4.43 C ATOM 1142 O PRO A 71 7.051 -20.061 -47.127 1.00 61.04 O ATOM 1143 CB PRO A 71 5.380 -22.382 -48.629 1.00 10.33 C ATOM 1144 CG PRO A 71 4.590 -21.264 -49.216 1.00 64.15 C ATOM 1145 CD PRO A 71 3.720 -20.745 -48.104 1.00 72.42 C ATOM 0 HA PRO A 71 5.640 -22.818 -46.479 1.00 21.41 H new ATOM 0 HB2 PRO A 71 6.326 -22.517 -49.154 1.00 10.33 H new ATOM 0 HB3 PRO A 71 4.840 -23.326 -48.697 1.00 10.33 H new ATOM 0 HG2 PRO A 71 5.245 -20.481 -49.597 1.00 64.15 H new ATOM 0 HG3 PRO A 71 3.986 -21.611 -50.055 1.00 64.15 H new ATOM 0 HD2 PRO A 71 3.554 -19.671 -48.191 1.00 72.42 H new ATOM 0 HD3 PRO A 71 2.739 -21.220 -48.106 1.00 72.42 H new ATOM 1153 N GLU A 72 7.994 -22.069 -46.755 1.00 64.42 N ATOM 1154 CA GLU A 72 9.338 -21.529 -46.583 1.00 2.33 C ATOM 1155 C GLU A 72 9.713 -20.622 -47.751 1.00 32.21 C ATOM 1156 O GLU A 72 10.454 -19.653 -47.586 1.00 64.11 O ATOM 1157 CB GLU A 72 10.356 -22.664 -46.455 1.00 3.30 C ATOM 1158 CG GLU A 72 10.210 -23.473 -45.177 1.00 14.02 C ATOM 1159 CD GLU A 72 10.933 -24.804 -45.243 1.00 23.34 C ATOM 1160 OE1 GLU A 72 11.725 -25.001 -46.189 1.00 2.14 O ATOM 1161 OE2 GLU A 72 10.708 -25.647 -44.351 1.00 4.25 O ATOM 0 H GLU A 72 7.931 -23.083 -46.659 1.00 64.42 H new ATOM 0 HA GLU A 72 9.350 -20.937 -45.668 1.00 2.33 H new ATOM 0 HB2 GLU A 72 10.253 -23.331 -47.311 1.00 3.30 H new ATOM 0 HB3 GLU A 72 11.361 -22.245 -46.497 1.00 3.30 H new ATOM 0 HG2 GLU A 72 10.598 -22.894 -44.339 1.00 14.02 H new ATOM 0 HG3 GLU A 72 9.152 -23.648 -44.981 1.00 14.02 H new ATOM 1168 N ASP A 73 9.198 -20.946 -48.932 1.00 54.44 N ATOM 1169 CA ASP A 73 9.479 -20.161 -50.129 1.00 22.54 C ATOM 1170 C ASP A 73 8.849 -18.776 -50.030 1.00 73.43 C ATOM 1171 O ASP A 73 9.519 -17.763 -50.231 1.00 20.35 O ATOM 1172 CB ASP A 73 8.957 -20.885 -51.372 1.00 11.40 C ATOM 1173 CG ASP A 73 9.354 -22.348 -51.400 1.00 35.22 C ATOM 1174 OD1 ASP A 73 8.783 -23.133 -50.614 1.00 60.34 O ATOM 1175 OD2 ASP A 73 10.235 -22.707 -52.208 1.00 64.21 O ATOM 0 H ASP A 73 8.584 -21.746 -49.086 1.00 54.44 H new ATOM 0 HA ASP A 73 10.559 -20.044 -50.213 1.00 22.54 H new ATOM 0 HB2 ASP A 73 7.870 -20.806 -51.405 1.00 11.40 H new ATOM 0 HB3 ASP A 73 9.340 -20.390 -52.265 1.00 11.40 H new ATOM 1180 N VAL A 74 7.556 -18.739 -49.721 1.00 22.21 N ATOM 1181 CA VAL A 74 6.836 -17.478 -49.595 1.00 51.24 C ATOM 1182 C VAL A 74 7.323 -16.684 -48.387 1.00 71.30 C ATOM 1183 O VAL A 74 7.302 -15.454 -48.390 1.00 64.14 O ATOM 1184 CB VAL A 74 5.319 -17.708 -49.466 1.00 4.32 C ATOM 1185 CG1 VAL A 74 4.613 -16.418 -49.077 1.00 2.42 C ATOM 1186 CG2 VAL A 74 4.753 -18.264 -50.764 1.00 20.32 C ATOM 0 H VAL A 74 6.986 -19.568 -49.553 1.00 22.21 H new ATOM 0 HA VAL A 74 7.034 -16.909 -50.504 1.00 51.24 H new ATOM 0 HB VAL A 74 5.146 -18.440 -48.677 1.00 4.32 H new ATOM 0 HG11 VAL A 74 3.542 -16.601 -48.991 1.00 2.42 H new ATOM 0 HG12 VAL A 74 4.999 -16.066 -48.120 1.00 2.42 H new ATOM 0 HG13 VAL A 74 4.791 -15.661 -49.841 1.00 2.42 H new ATOM 0 HG21 VAL A 74 3.680 -18.421 -50.655 1.00 20.32 H new ATOM 0 HG22 VAL A 74 4.936 -17.557 -51.573 1.00 20.32 H new ATOM 0 HG23 VAL A 74 5.237 -19.213 -50.995 1.00 20.32 H new ATOM 1196 N ARG A 75 7.762 -17.398 -47.355 1.00 32.22 N ATOM 1197 CA ARG A 75 8.253 -16.761 -46.140 1.00 2.22 C ATOM 1198 C ARG A 75 9.630 -16.144 -46.368 1.00 43.01 C ATOM 1199 O ARG A 75 9.948 -15.091 -45.816 1.00 52.32 O ATOM 1200 CB ARG A 75 8.320 -17.776 -44.998 1.00 70.20 C ATOM 1201 CG ARG A 75 6.957 -18.251 -44.523 1.00 33.21 C ATOM 1202 CD ARG A 75 6.087 -17.086 -44.075 1.00 64.25 C ATOM 1203 NE ARG A 75 6.844 -16.103 -43.305 1.00 60.01 N ATOM 1204 CZ ARG A 75 6.456 -14.844 -43.137 1.00 52.41 C ATOM 1205 NH1 ARG A 75 5.325 -14.418 -43.682 1.00 43.22 N ATOM 1206 NH2 ARG A 75 7.199 -14.008 -42.422 1.00 22.23 N ATOM 0 H ARG A 75 7.787 -18.418 -47.337 1.00 32.22 H new ATOM 0 HA ARG A 75 7.558 -15.966 -45.870 1.00 2.22 H new ATOM 0 HB2 ARG A 75 8.902 -18.638 -45.323 1.00 70.20 H new ATOM 0 HB3 ARG A 75 8.853 -17.330 -44.158 1.00 70.20 H new ATOM 0 HG2 ARG A 75 6.458 -18.791 -45.327 1.00 33.21 H new ATOM 0 HG3 ARG A 75 7.082 -18.952 -43.698 1.00 33.21 H new ATOM 0 HD2 ARG A 75 5.649 -16.603 -44.949 1.00 64.25 H new ATOM 0 HD3 ARG A 75 5.261 -17.462 -43.471 1.00 64.25 H new ATOM 0 HE ARG A 75 7.719 -16.400 -42.872 1.00 60.01 H new ATOM 0 HH11 ARG A 75 4.751 -15.058 -44.231 1.00 43.22 H new ATOM 0 HH12 ARG A 75 5.029 -13.451 -43.552 1.00 43.22 H new ATOM 0 HH21 ARG A 75 8.069 -14.332 -42.001 1.00 22.23 H new ATOM 0 HH22 ARG A 75 6.899 -13.041 -42.294 1.00 22.23 H new ATOM 1220 N SER A 76 10.442 -16.808 -47.184 1.00 13.42 N ATOM 1221 CA SER A 76 11.786 -16.326 -47.482 1.00 72.25 C ATOM 1222 C SER A 76 11.734 -15.016 -48.261 1.00 24.11 C ATOM 1223 O SER A 76 12.735 -14.311 -48.379 1.00 72.30 O ATOM 1224 CB SER A 76 12.560 -17.377 -48.282 1.00 52.34 C ATOM 1225 OG SER A 76 13.592 -16.778 -49.047 1.00 11.12 O ATOM 0 H SER A 76 10.193 -17.680 -47.650 1.00 13.42 H new ATOM 0 HA SER A 76 12.299 -16.146 -46.537 1.00 72.25 H new ATOM 0 HB2 SER A 76 12.988 -18.114 -47.602 1.00 52.34 H new ATOM 0 HB3 SER A 76 11.877 -17.912 -48.942 1.00 52.34 H new ATOM 0 HG SER A 76 13.762 -15.872 -48.715 1.00 11.12 H new ATOM 1231 N ASN A 77 10.558 -14.697 -48.792 1.00 61.11 N ATOM 1232 CA ASN A 77 10.373 -13.471 -49.560 1.00 63.22 C ATOM 1233 C ASN A 77 10.229 -12.265 -48.636 1.00 4.51 C ATOM 1234 O ASN A 77 10.343 -11.119 -49.071 1.00 30.21 O ATOM 1235 CB ASN A 77 9.142 -13.588 -50.460 1.00 34.15 C ATOM 1236 CG ASN A 77 9.479 -14.130 -51.835 1.00 2.31 C ATOM 1237 OD1 ASN A 77 9.164 -13.512 -52.853 1.00 62.33 O ATOM 1238 ND2 ASN A 77 10.125 -15.290 -51.872 1.00 63.33 N ATOM 0 H ASN A 77 9.719 -15.270 -48.705 1.00 61.11 H new ATOM 0 HA ASN A 77 11.256 -13.326 -50.182 1.00 63.22 H new ATOM 0 HB2 ASN A 77 8.409 -14.240 -49.985 1.00 34.15 H new ATOM 0 HB3 ASN A 77 8.677 -12.608 -50.563 1.00 34.15 H new ATOM 0 HD21 ASN A 77 10.380 -15.703 -52.769 1.00 63.33 H new ATOM 0 HD22 ASN A 77 10.366 -15.767 -51.003 1.00 63.33 H new ATOM 1245 N VAL A 78 9.978 -12.533 -47.358 1.00 54.35 N ATOM 1246 CA VAL A 78 9.819 -11.471 -46.372 1.00 25.14 C ATOM 1247 C VAL A 78 10.993 -10.500 -46.417 1.00 53.34 C ATOM 1248 O VAL A 78 12.152 -10.912 -46.473 1.00 13.31 O ATOM 1249 CB VAL A 78 9.695 -12.044 -44.947 1.00 24.53 C ATOM 1250 CG1 VAL A 78 10.994 -12.715 -44.527 1.00 61.22 C ATOM 1251 CG2 VAL A 78 9.310 -10.948 -43.965 1.00 61.01 C ATOM 0 H VAL A 78 9.881 -13.476 -46.982 1.00 54.35 H new ATOM 0 HA VAL A 78 8.902 -10.939 -46.623 1.00 25.14 H new ATOM 0 HB VAL A 78 8.907 -12.797 -44.943 1.00 24.53 H new ATOM 0 HG11 VAL A 78 10.888 -13.114 -43.518 1.00 61.22 H new ATOM 0 HG12 VAL A 78 11.223 -13.528 -45.216 1.00 61.22 H new ATOM 0 HG13 VAL A 78 11.803 -11.985 -44.545 1.00 61.22 H new ATOM 0 HG21 VAL A 78 9.227 -11.370 -42.963 1.00 61.01 H new ATOM 0 HG22 VAL A 78 10.074 -10.171 -43.969 1.00 61.01 H new ATOM 0 HG23 VAL A 78 8.353 -10.517 -44.258 1.00 61.01 H new ATOM 1261 N ASP A 79 10.685 -9.207 -46.391 1.00 75.02 N ATOM 1262 CA ASP A 79 11.715 -8.175 -46.428 1.00 32.13 C ATOM 1263 C ASP A 79 11.350 -7.012 -45.510 1.00 22.35 C ATOM 1264 O ASP A 79 10.314 -7.032 -44.847 1.00 11.20 O ATOM 1265 CB ASP A 79 11.912 -7.672 -47.858 1.00 14.11 C ATOM 1266 CG ASP A 79 12.132 -8.801 -48.845 1.00 70.21 C ATOM 1267 OD1 ASP A 79 13.048 -9.618 -48.616 1.00 12.03 O ATOM 1268 OD2 ASP A 79 11.388 -8.869 -49.845 1.00 63.45 O ATOM 0 H ASP A 79 9.731 -8.849 -46.344 1.00 75.02 H new ATOM 0 HA ASP A 79 12.648 -8.614 -46.075 1.00 32.13 H new ATOM 0 HB2 ASP A 79 11.038 -7.095 -48.160 1.00 14.11 H new ATOM 0 HB3 ASP A 79 12.767 -6.996 -47.888 1.00 14.11 H new ATOM 1273 N ALA A 80 12.211 -5.999 -45.479 1.00 44.44 N ATOM 1274 CA ALA A 80 11.978 -4.826 -44.644 1.00 1.03 C ATOM 1275 C ALA A 80 10.672 -4.135 -45.020 1.00 60.14 C ATOM 1276 O ALA A 80 9.733 -4.088 -44.227 1.00 3.35 O ATOM 1277 CB ALA A 80 13.144 -3.857 -44.761 1.00 43.13 C ATOM 0 H ALA A 80 13.074 -5.967 -46.021 1.00 44.44 H new ATOM 0 HA ALA A 80 11.897 -5.157 -43.609 1.00 1.03 H new ATOM 0 HB1 ALA A 80 12.958 -2.986 -44.133 1.00 43.13 H new ATOM 0 HB2 ALA A 80 14.060 -4.349 -44.436 1.00 43.13 H new ATOM 0 HB3 ALA A 80 13.251 -3.540 -45.798 1.00 43.13 H new ATOM 1283 N ALA A 81 10.621 -3.597 -46.234 1.00 21.32 N ATOM 1284 CA ALA A 81 9.430 -2.909 -46.716 1.00 55.31 C ATOM 1285 C ALA A 81 8.190 -3.783 -46.561 1.00 31.04 C ATOM 1286 O ALA A 81 7.195 -3.367 -45.968 1.00 33.41 O ATOM 1287 CB ALA A 81 9.610 -2.497 -48.169 1.00 13.35 C ATOM 0 H ALA A 81 11.391 -3.624 -46.902 1.00 21.32 H new ATOM 0 HA ALA A 81 9.288 -2.013 -46.111 1.00 55.31 H new ATOM 0 HB1 ALA A 81 8.713 -1.984 -48.516 1.00 13.35 H new ATOM 0 HB2 ALA A 81 10.466 -1.828 -48.254 1.00 13.35 H new ATOM 0 HB3 ALA A 81 9.780 -3.383 -48.780 1.00 13.35 H new ATOM 1293 N SER A 82 8.257 -4.997 -47.099 1.00 54.12 N ATOM 1294 CA SER A 82 7.138 -5.929 -47.026 1.00 14.13 C ATOM 1295 C SER A 82 6.686 -6.121 -45.581 1.00 30.51 C ATOM 1296 O SER A 82 5.503 -5.998 -45.268 1.00 1.33 O ATOM 1297 CB SER A 82 7.528 -7.278 -47.633 1.00 73.02 C ATOM 1298 OG SER A 82 8.378 -7.105 -48.755 1.00 11.21 O ATOM 0 H SER A 82 9.075 -5.358 -47.590 1.00 54.12 H new ATOM 0 HA SER A 82 6.310 -5.509 -47.596 1.00 14.13 H new ATOM 0 HB2 SER A 82 8.031 -7.887 -46.882 1.00 73.02 H new ATOM 0 HB3 SER A 82 6.630 -7.819 -47.933 1.00 73.02 H new ATOM 0 HG SER A 82 8.615 -7.981 -49.124 1.00 11.21 H new ATOM 1304 N ALA A 83 7.638 -6.425 -44.705 1.00 34.11 N ATOM 1305 CA ALA A 83 7.340 -6.632 -43.294 1.00 62.10 C ATOM 1306 C ALA A 83 6.537 -5.467 -42.725 1.00 53.55 C ATOM 1307 O ALA A 83 5.469 -5.663 -42.144 1.00 1.10 O ATOM 1308 CB ALA A 83 8.627 -6.822 -42.505 1.00 14.31 C ATOM 0 H ALA A 83 8.623 -6.533 -44.948 1.00 34.11 H new ATOM 0 HA ALA A 83 6.735 -7.534 -43.205 1.00 62.10 H new ATOM 0 HB1 ALA A 83 8.389 -6.976 -41.452 1.00 14.31 H new ATOM 0 HB2 ALA A 83 9.163 -7.691 -42.887 1.00 14.31 H new ATOM 0 HB3 ALA A 83 9.252 -5.935 -42.610 1.00 14.31 H new ATOM 1314 N ARG A 84 7.057 -4.256 -42.896 1.00 14.24 N ATOM 1315 CA ARG A 84 6.388 -3.060 -42.398 1.00 42.23 C ATOM 1316 C ARG A 84 4.957 -2.981 -42.918 1.00 55.53 C ATOM 1317 O ARG A 84 4.025 -2.716 -42.161 1.00 43.13 O ATOM 1318 CB ARG A 84 7.163 -1.808 -42.812 1.00 72.41 C ATOM 1319 CG ARG A 84 8.295 -1.449 -41.863 1.00 43.35 C ATOM 1320 CD ARG A 84 9.392 -0.673 -42.572 1.00 30.14 C ATOM 1321 NE ARG A 84 8.912 0.607 -43.087 1.00 24.42 N ATOM 1322 CZ ARG A 84 9.532 1.295 -44.040 1.00 23.24 C ATOM 1323 NH1 ARG A 84 10.650 0.828 -44.578 1.00 30.24 N ATOM 1324 NH2 ARG A 84 9.034 2.452 -44.455 1.00 14.35 N ATOM 0 H ARG A 84 7.939 -4.077 -43.376 1.00 14.24 H new ATOM 0 HA ARG A 84 6.357 -3.117 -41.310 1.00 42.23 H new ATOM 0 HB2 ARG A 84 7.572 -1.958 -43.811 1.00 72.41 H new ATOM 0 HB3 ARG A 84 6.472 -0.967 -42.874 1.00 72.41 H new ATOM 0 HG2 ARG A 84 7.904 -0.855 -41.037 1.00 43.35 H new ATOM 0 HG3 ARG A 84 8.712 -2.359 -41.432 1.00 43.35 H new ATOM 0 HD2 ARG A 84 10.217 -0.499 -41.882 1.00 30.14 H new ATOM 0 HD3 ARG A 84 9.785 -1.270 -43.395 1.00 30.14 H new ATOM 0 HE ARG A 84 8.054 0.994 -42.694 1.00 24.42 H new ATOM 0 HH11 ARG A 84 11.036 -0.061 -44.261 1.00 30.24 H new ATOM 0 HH12 ARG A 84 11.124 1.358 -45.309 1.00 30.24 H new ATOM 0 HH21 ARG A 84 8.174 2.815 -44.043 1.00 14.35 H new ATOM 0 HH22 ARG A 84 9.511 2.979 -45.187 1.00 14.35 H new ATOM 1338 N GLU A 85 4.791 -3.213 -44.217 1.00 51.11 N ATOM 1339 CA GLU A 85 3.472 -3.167 -44.838 1.00 55.12 C ATOM 1340 C GLU A 85 2.557 -4.239 -44.253 1.00 1.33 C ATOM 1341 O GLU A 85 1.379 -3.990 -43.991 1.00 32.23 O ATOM 1342 CB GLU A 85 3.590 -3.352 -46.352 1.00 75.34 C ATOM 1343 CG GLU A 85 4.497 -2.334 -47.021 1.00 45.21 C ATOM 1344 CD GLU A 85 3.752 -1.091 -47.466 1.00 21.03 C ATOM 1345 OE1 GLU A 85 3.083 -1.145 -48.519 1.00 42.31 O ATOM 1346 OE2 GLU A 85 3.836 -0.063 -46.760 1.00 3.32 O ATOM 0 H GLU A 85 5.552 -3.434 -44.859 1.00 51.11 H new ATOM 0 HA GLU A 85 3.036 -2.190 -44.632 1.00 55.12 H new ATOM 0 HB2 GLU A 85 3.967 -4.353 -46.559 1.00 75.34 H new ATOM 0 HB3 GLU A 85 2.597 -3.288 -46.796 1.00 75.34 H new ATOM 0 HG2 GLU A 85 5.290 -2.049 -46.329 1.00 45.21 H new ATOM 0 HG3 GLU A 85 4.978 -2.794 -47.885 1.00 45.21 H new ATOM 1353 N LEU A 86 3.106 -5.432 -44.053 1.00 22.40 N ATOM 1354 CA LEU A 86 2.341 -6.543 -43.499 1.00 21.33 C ATOM 1355 C LEU A 86 1.788 -6.191 -42.121 1.00 20.32 C ATOM 1356 O LEU A 86 0.601 -6.368 -41.854 1.00 2.34 O ATOM 1357 CB LEU A 86 3.215 -7.794 -43.407 1.00 74.11 C ATOM 1358 CG LEU A 86 3.614 -8.434 -44.737 1.00 10.31 C ATOM 1359 CD1 LEU A 86 4.944 -9.159 -44.603 1.00 65.15 C ATOM 1360 CD2 LEU A 86 2.530 -9.389 -45.217 1.00 0.22 C ATOM 0 H LEU A 86 4.078 -5.655 -44.266 1.00 22.40 H new ATOM 0 HA LEU A 86 1.502 -6.742 -44.166 1.00 21.33 H new ATOM 0 HB2 LEU A 86 4.124 -7.538 -42.863 1.00 74.11 H new ATOM 0 HB3 LEU A 86 2.686 -8.539 -42.812 1.00 74.11 H new ATOM 0 HG LEU A 86 3.728 -7.643 -45.478 1.00 10.31 H new ATOM 0 HD11 LEU A 86 5.212 -9.608 -45.559 1.00 65.15 H new ATOM 0 HD12 LEU A 86 5.717 -8.450 -44.306 1.00 65.15 H new ATOM 0 HD13 LEU A 86 4.858 -9.940 -43.847 1.00 65.15 H new ATOM 0 HD21 LEU A 86 2.832 -9.835 -46.165 1.00 0.22 H new ATOM 0 HD22 LEU A 86 2.384 -10.175 -44.476 1.00 0.22 H new ATOM 0 HD23 LEU A 86 1.597 -8.842 -45.354 1.00 0.22 H new ATOM 1372 N MET A 87 2.660 -5.692 -41.251 1.00 55.22 N ATOM 1373 CA MET A 87 2.258 -5.312 -39.902 1.00 3.41 C ATOM 1374 C MET A 87 1.304 -4.122 -39.932 1.00 3.31 C ATOM 1375 O MET A 87 0.415 -4.003 -39.088 1.00 33.02 O ATOM 1376 CB MET A 87 3.488 -4.972 -39.057 1.00 13.51 C ATOM 1377 CG MET A 87 4.520 -6.088 -39.012 1.00 72.40 C ATOM 1378 SD MET A 87 3.853 -7.624 -38.345 1.00 23.01 S ATOM 1379 CE MET A 87 3.644 -8.581 -39.845 1.00 34.44 C ATOM 0 H MET A 87 3.648 -5.542 -41.456 1.00 55.22 H new ATOM 0 HA MET A 87 1.739 -6.159 -39.453 1.00 3.41 H new ATOM 0 HB2 MET A 87 3.955 -4.072 -39.456 1.00 13.51 H new ATOM 0 HB3 MET A 87 3.169 -4.742 -38.041 1.00 13.51 H new ATOM 0 HG2 MET A 87 4.899 -6.268 -40.018 1.00 72.40 H new ATOM 0 HG3 MET A 87 5.367 -5.770 -38.404 1.00 72.40 H new ATOM 0 HE1 MET A 87 3.952 -9.611 -39.665 1.00 34.44 H new ATOM 0 HE2 MET A 87 2.596 -8.563 -40.145 1.00 34.44 H new ATOM 0 HE3 MET A 87 4.256 -8.152 -40.638 1.00 34.44 H new ATOM 1389 N LEU A 88 1.494 -3.243 -40.911 1.00 0.04 N ATOM 1390 CA LEU A 88 0.649 -2.061 -41.051 1.00 32.32 C ATOM 1391 C LEU A 88 -0.800 -2.456 -41.316 1.00 31.41 C ATOM 1392 O LEU A 88 -1.712 -2.011 -40.621 1.00 51.04 O ATOM 1393 CB LEU A 88 1.165 -1.175 -42.186 1.00 71.42 C ATOM 1394 CG LEU A 88 0.825 0.313 -42.083 1.00 15.31 C ATOM 1395 CD1 LEU A 88 -0.680 0.523 -42.155 1.00 0.02 C ATOM 1396 CD2 LEU A 88 1.386 0.900 -40.796 1.00 33.15 C ATOM 0 H LEU A 88 2.224 -3.326 -41.618 1.00 0.04 H new ATOM 0 HA LEU A 88 0.688 -1.503 -40.116 1.00 32.32 H new ATOM 0 HB2 LEU A 88 2.249 -1.277 -42.236 1.00 71.42 H new ATOM 0 HB3 LEU A 88 0.766 -1.554 -43.127 1.00 71.42 H new ATOM 0 HG LEU A 88 1.284 0.830 -42.925 1.00 15.31 H new ATOM 0 HD11 LEU A 88 -0.903 1.587 -42.080 1.00 0.02 H new ATOM 0 HD12 LEU A 88 -1.056 0.139 -43.103 1.00 0.02 H new ATOM 0 HD13 LEU A 88 -1.161 -0.007 -41.333 1.00 0.02 H new ATOM 0 HD21 LEU A 88 1.135 1.959 -40.739 1.00 33.15 H new ATOM 0 HD22 LEU A 88 0.956 0.379 -39.941 1.00 33.15 H new ATOM 0 HD23 LEU A 88 2.470 0.783 -40.785 1.00 33.15 H new ATOM 1408 N ALA A 89 -1.004 -3.295 -42.327 1.00 5.24 N ATOM 1409 CA ALA A 89 -2.341 -3.754 -42.682 1.00 72.31 C ATOM 1410 C ALA A 89 -2.856 -4.778 -41.676 1.00 53.31 C ATOM 1411 O ALA A 89 -3.981 -4.673 -41.191 1.00 61.11 O ATOM 1412 CB ALA A 89 -2.343 -4.342 -44.084 1.00 53.34 C ATOM 0 H ALA A 89 -0.260 -3.671 -42.915 1.00 5.24 H new ATOM 0 HA ALA A 89 -3.010 -2.894 -42.660 1.00 72.31 H new ATOM 0 HB1 ALA A 89 -3.348 -4.681 -44.335 1.00 53.34 H new ATOM 0 HB2 ALA A 89 -2.027 -3.581 -44.798 1.00 53.34 H new ATOM 0 HB3 ALA A 89 -1.655 -5.186 -44.125 1.00 53.34 H new ATOM 1418 N GLN A 90 -2.023 -5.768 -41.368 1.00 12.11 N ATOM 1419 CA GLN A 90 -2.396 -6.812 -40.421 1.00 12.45 C ATOM 1420 C GLN A 90 -1.366 -6.922 -39.301 1.00 41.24 C ATOM 1421 O GLN A 90 -0.513 -7.810 -39.294 1.00 10.03 O ATOM 1422 CB GLN A 90 -2.533 -8.155 -41.139 1.00 3.41 C ATOM 1423 CG GLN A 90 -1.351 -8.491 -42.033 1.00 23.53 C ATOM 1424 CD GLN A 90 -1.614 -9.689 -42.923 1.00 74.41 C ATOM 1425 OE1 GLN A 90 -2.183 -10.741 -42.346 1.00 50.25 O flip ATOM 1426 NE2 GLN A 90 -1.310 -9.670 -44.117 1.00 33.14 N flip ATOM 0 H GLN A 90 -1.087 -5.868 -41.760 1.00 12.11 H new ATOM 0 HA GLN A 90 -3.357 -6.544 -39.981 1.00 12.45 H new ATOM 0 HB2 GLN A 90 -2.652 -8.944 -40.396 1.00 3.41 H new ATOM 0 HB3 GLN A 90 -3.442 -8.145 -41.741 1.00 3.41 H new ATOM 0 HG2 GLN A 90 -1.113 -7.627 -42.654 1.00 23.53 H new ATOM 0 HG3 GLN A 90 -0.476 -8.689 -41.413 1.00 23.53 H new ATOM 0 HE21 GLN A 90 -0.874 -8.840 -44.519 1.00 33.14 H new ATOM 0 HE22 GLN A 90 -1.494 -10.484 -44.703 1.00 33.14 H new ATOM 1435 N PRO A 91 -1.446 -6.000 -38.330 1.00 51.14 N ATOM 1436 CA PRO A 91 -0.529 -5.974 -37.186 1.00 32.24 C ATOM 1437 C PRO A 91 -0.759 -7.141 -36.232 1.00 54.10 C ATOM 1438 O PRO A 91 0.009 -7.347 -35.292 1.00 35.34 O ATOM 1439 CB PRO A 91 -0.860 -4.647 -36.497 1.00 71.34 C ATOM 1440 CG PRO A 91 -2.268 -4.359 -36.885 1.00 71.22 C ATOM 1441 CD PRO A 91 -2.438 -4.913 -38.273 1.00 34.13 C ATOM 0 HA PRO A 91 0.512 -6.062 -37.496 1.00 32.24 H new ATOM 0 HB2 PRO A 91 -0.756 -4.726 -35.415 1.00 71.34 H new ATOM 0 HB3 PRO A 91 -0.189 -3.853 -36.824 1.00 71.34 H new ATOM 0 HG2 PRO A 91 -2.967 -4.825 -36.191 1.00 71.22 H new ATOM 0 HG3 PRO A 91 -2.466 -3.287 -36.866 1.00 71.22 H new ATOM 0 HD2 PRO A 91 -3.450 -5.283 -38.437 1.00 34.13 H new ATOM 0 HD3 PRO A 91 -2.249 -4.156 -39.034 1.00 34.13 H new ATOM 1449 N SER A 92 -1.821 -7.902 -36.479 1.00 20.51 N ATOM 1450 CA SER A 92 -2.153 -9.046 -35.639 1.00 11.34 C ATOM 1451 C SER A 92 -1.095 -10.138 -35.765 1.00 43.02 C ATOM 1452 O SER A 92 -1.081 -11.096 -34.993 1.00 60.53 O ATOM 1453 CB SER A 92 -3.526 -9.604 -36.021 1.00 1.20 C ATOM 1454 OG SER A 92 -3.694 -10.923 -35.533 1.00 33.02 O ATOM 0 H SER A 92 -2.466 -7.747 -37.254 1.00 20.51 H new ATOM 0 HA SER A 92 -2.181 -8.709 -34.603 1.00 11.34 H new ATOM 0 HB2 SER A 92 -4.308 -8.961 -35.617 1.00 1.20 H new ATOM 0 HB3 SER A 92 -3.636 -9.597 -37.105 1.00 1.20 H new ATOM 0 HG SER A 92 -2.892 -11.194 -35.040 1.00 33.02 H new ATOM 1460 N MET A 93 -0.211 -9.985 -36.746 1.00 64.00 N ATOM 1461 CA MET A 93 0.853 -10.958 -36.973 1.00 11.03 C ATOM 1462 C MET A 93 2.005 -10.740 -35.998 1.00 22.03 C ATOM 1463 O MET A 93 2.856 -11.613 -35.822 1.00 62.52 O ATOM 1464 CB MET A 93 1.362 -10.861 -38.413 1.00 21.24 C ATOM 1465 CG MET A 93 0.800 -11.937 -39.328 1.00 71.33 C ATOM 1466 SD MET A 93 -1.003 -11.934 -39.380 1.00 63.23 S ATOM 1467 CE MET A 93 -1.310 -13.248 -40.558 1.00 50.03 C ATOM 0 H MET A 93 -0.210 -9.198 -37.395 1.00 64.00 H new ATOM 0 HA MET A 93 0.443 -11.954 -36.806 1.00 11.03 H new ATOM 0 HB2 MET A 93 1.104 -9.882 -38.816 1.00 21.24 H new ATOM 0 HB3 MET A 93 2.450 -10.929 -38.411 1.00 21.24 H new ATOM 0 HG2 MET A 93 1.189 -11.791 -40.336 1.00 71.33 H new ATOM 0 HG3 MET A 93 1.148 -12.913 -38.991 1.00 71.33 H new ATOM 0 HE1 MET A 93 -2.059 -12.922 -41.280 1.00 50.03 H new ATOM 0 HE2 MET A 93 -0.385 -13.492 -41.080 1.00 50.03 H new ATOM 0 HE3 MET A 93 -1.674 -14.131 -40.032 1.00 50.03 H new ATOM 1477 N VAL A 94 2.028 -9.571 -35.367 1.00 52.44 N ATOM 1478 CA VAL A 94 3.077 -9.239 -34.410 1.00 10.35 C ATOM 1479 C VAL A 94 3.147 -10.273 -33.292 1.00 43.41 C ATOM 1480 O VAL A 94 2.231 -11.076 -33.115 1.00 40.44 O ATOM 1481 CB VAL A 94 2.853 -7.846 -33.793 1.00 33.42 C ATOM 1482 CG1 VAL A 94 2.791 -6.783 -34.879 1.00 75.05 C ATOM 1483 CG2 VAL A 94 1.586 -7.833 -32.951 1.00 35.21 C ATOM 0 H VAL A 94 1.332 -8.837 -35.501 1.00 52.44 H new ATOM 0 HA VAL A 94 4.018 -9.237 -34.959 1.00 10.35 H new ATOM 0 HB VAL A 94 3.697 -7.617 -33.142 1.00 33.42 H new ATOM 0 HG11 VAL A 94 2.632 -5.806 -34.423 1.00 75.05 H new ATOM 0 HG12 VAL A 94 3.728 -6.776 -35.435 1.00 75.05 H new ATOM 0 HG13 VAL A 94 1.968 -7.004 -35.558 1.00 75.05 H new ATOM 0 HG21 VAL A 94 1.444 -6.841 -32.523 1.00 35.21 H new ATOM 0 HG22 VAL A 94 0.730 -8.084 -33.578 1.00 35.21 H new ATOM 0 HG23 VAL A 94 1.675 -8.565 -32.148 1.00 35.21 H new ATOM 1493 N LYS A 95 4.241 -10.247 -32.538 1.00 21.24 N ATOM 1494 CA LYS A 95 4.432 -11.181 -31.434 1.00 1.24 C ATOM 1495 C LYS A 95 3.403 -10.941 -30.334 1.00 13.35 C ATOM 1496 O LYS A 95 2.631 -9.983 -30.391 1.00 52.22 O ATOM 1497 CB LYS A 95 5.846 -11.046 -30.863 1.00 62.41 C ATOM 1498 CG LYS A 95 5.953 -10.030 -29.740 1.00 12.43 C ATOM 1499 CD LYS A 95 5.501 -8.651 -30.191 1.00 23.31 C ATOM 1500 CE LYS A 95 6.487 -8.033 -31.171 1.00 33.13 C ATOM 1501 NZ LYS A 95 7.643 -7.404 -30.473 1.00 64.41 N ATOM 0 H LYS A 95 5.009 -9.589 -32.671 1.00 21.24 H new ATOM 0 HA LYS A 95 4.297 -12.192 -31.819 1.00 1.24 H new ATOM 0 HB2 LYS A 95 6.175 -12.018 -30.495 1.00 62.41 H new ATOM 0 HB3 LYS A 95 6.527 -10.762 -31.665 1.00 62.41 H new ATOM 0 HG2 LYS A 95 5.346 -10.355 -28.895 1.00 12.43 H new ATOM 0 HG3 LYS A 95 6.984 -9.980 -29.391 1.00 12.43 H new ATOM 0 HD2 LYS A 95 4.519 -8.724 -30.659 1.00 23.31 H new ATOM 0 HD3 LYS A 95 5.393 -8.001 -29.323 1.00 23.31 H new ATOM 0 HE2 LYS A 95 6.850 -8.801 -31.854 1.00 33.13 H new ATOM 0 HE3 LYS A 95 5.976 -7.284 -31.776 1.00 33.13 H new ATOM 0 HZ1 LYS A 95 7.699 -6.398 -30.731 1.00 64.41 H new ATOM 0 HZ2 LYS A 95 7.516 -7.491 -29.444 1.00 64.41 H new ATOM 0 HZ3 LYS A 95 8.522 -7.883 -30.755 1.00 64.41 H new ATOM 1515 N ARG A 96 3.399 -11.814 -29.332 1.00 23.43 N ATOM 1516 CA ARG A 96 2.465 -11.695 -28.219 1.00 52.42 C ATOM 1517 C ARG A 96 2.679 -12.819 -27.209 1.00 73.24 C ATOM 1518 O ARG A 96 3.250 -13.865 -27.518 1.00 25.00 O ATOM 1519 CB ARG A 96 1.023 -11.721 -28.729 1.00 2.41 C ATOM 1520 CG ARG A 96 0.823 -12.614 -29.943 1.00 32.35 C ATOM 1521 CD ARG A 96 -0.611 -13.111 -30.039 1.00 1.31 C ATOM 1522 NE ARG A 96 -0.900 -13.702 -31.343 1.00 4.33 N ATOM 1523 CZ ARG A 96 -0.492 -14.913 -31.707 1.00 22.53 C ATOM 1524 NH1 ARG A 96 0.218 -15.657 -30.870 1.00 21.10 N ATOM 1525 NH2 ARG A 96 -0.794 -15.382 -32.910 1.00 31.42 N ATOM 0 H ARG A 96 4.032 -12.611 -29.268 1.00 23.43 H new ATOM 0 HA ARG A 96 2.650 -10.742 -27.723 1.00 52.42 H new ATOM 0 HB2 ARG A 96 0.369 -12.061 -27.926 1.00 2.41 H new ATOM 0 HB3 ARG A 96 0.717 -10.706 -28.981 1.00 2.41 H new ATOM 0 HG2 ARG A 96 1.079 -12.063 -30.848 1.00 32.35 H new ATOM 0 HG3 ARG A 96 1.501 -13.465 -29.885 1.00 32.35 H new ATOM 0 HD2 ARG A 96 -0.791 -13.850 -29.258 1.00 1.31 H new ATOM 0 HD3 ARG A 96 -1.295 -12.282 -29.857 1.00 1.31 H new ATOM 0 HE ARG A 96 -1.444 -13.156 -32.010 1.00 4.33 H new ATOM 0 HH11 ARG A 96 0.452 -15.300 -29.944 1.00 21.10 H new ATOM 0 HH12 ARG A 96 0.530 -16.586 -31.152 1.00 21.10 H new ATOM 0 HH21 ARG A 96 -1.340 -14.813 -33.557 1.00 31.42 H new ATOM 0 HH22 ARG A 96 -0.480 -16.312 -33.188 1.00 31.42 H new ATOM 1539 N PRO A 97 2.210 -12.599 -25.971 1.00 5.45 N ATOM 1540 CA PRO A 97 1.529 -11.357 -25.591 1.00 55.21 C ATOM 1541 C PRO A 97 2.479 -10.165 -25.549 1.00 1.12 C ATOM 1542 O PRO A 97 3.621 -10.284 -25.105 1.00 11.34 O ATOM 1543 CB PRO A 97 0.992 -11.663 -24.191 1.00 63.23 C ATOM 1544 CG PRO A 97 1.895 -12.721 -23.660 1.00 53.40 C ATOM 1545 CD PRO A 97 2.309 -13.545 -24.847 1.00 14.11 C ATOM 0 HA PRO A 97 0.756 -11.079 -26.308 1.00 55.21 H new ATOM 0 HB2 PRO A 97 1.008 -10.775 -23.559 1.00 63.23 H new ATOM 0 HB3 PRO A 97 -0.041 -12.008 -24.230 1.00 63.23 H new ATOM 0 HG2 PRO A 97 2.763 -12.282 -23.167 1.00 53.40 H new ATOM 0 HG3 PRO A 97 1.384 -13.334 -22.918 1.00 53.40 H new ATOM 0 HD2 PRO A 97 3.322 -13.931 -24.735 1.00 14.11 H new ATOM 0 HD3 PRO A 97 1.654 -14.405 -24.987 1.00 14.11 H new ATOM 1553 N VAL A 98 1.999 -9.016 -26.014 1.00 75.11 N ATOM 1554 CA VAL A 98 2.805 -7.801 -26.028 1.00 22.51 C ATOM 1555 C VAL A 98 2.536 -6.949 -24.793 1.00 20.24 C ATOM 1556 O VAL A 98 1.388 -6.619 -24.490 1.00 74.34 O ATOM 1557 CB VAL A 98 2.531 -6.959 -27.288 1.00 62.21 C ATOM 1558 CG1 VAL A 98 3.333 -5.668 -27.253 1.00 65.22 C ATOM 1559 CG2 VAL A 98 2.849 -7.760 -28.542 1.00 73.13 C ATOM 0 H VAL A 98 1.056 -8.901 -26.386 1.00 75.11 H new ATOM 0 HA VAL A 98 3.849 -8.114 -26.030 1.00 22.51 H new ATOM 0 HB VAL A 98 1.472 -6.700 -27.308 1.00 62.21 H new ATOM 0 HG11 VAL A 98 3.126 -5.087 -28.152 1.00 65.22 H new ATOM 0 HG12 VAL A 98 3.052 -5.089 -26.373 1.00 65.22 H new ATOM 0 HG13 VAL A 98 4.397 -5.902 -27.209 1.00 65.22 H new ATOM 0 HG21 VAL A 98 2.650 -7.150 -29.423 1.00 73.13 H new ATOM 0 HG22 VAL A 98 3.900 -8.051 -28.532 1.00 73.13 H new ATOM 0 HG23 VAL A 98 2.226 -8.654 -28.571 1.00 73.13 H new ATOM 1569 N LEU A 99 3.600 -6.594 -24.081 1.00 44.10 N ATOM 1570 CA LEU A 99 3.479 -5.779 -22.879 1.00 22.24 C ATOM 1571 C LEU A 99 4.118 -4.408 -23.083 1.00 30.44 C ATOM 1572 O LEU A 99 5.302 -4.306 -23.403 1.00 63.23 O ATOM 1573 CB LEU A 99 4.134 -6.487 -21.690 1.00 31.22 C ATOM 1574 CG LEU A 99 3.251 -7.477 -20.931 1.00 2.12 C ATOM 1575 CD1 LEU A 99 2.622 -8.476 -21.888 1.00 64.20 C ATOM 1576 CD2 LEU A 99 4.058 -8.196 -19.859 1.00 2.44 C ATOM 0 H LEU A 99 4.557 -6.858 -24.316 1.00 44.10 H new ATOM 0 HA LEU A 99 2.418 -5.638 -22.671 1.00 22.24 H new ATOM 0 HB2 LEU A 99 5.015 -7.018 -22.049 1.00 31.22 H new ATOM 0 HB3 LEU A 99 4.482 -5.729 -20.988 1.00 31.22 H new ATOM 0 HG LEU A 99 2.450 -6.921 -20.444 1.00 2.12 H new ATOM 0 HD11 LEU A 99 1.997 -9.172 -21.328 1.00 64.20 H new ATOM 0 HD12 LEU A 99 2.010 -7.945 -22.618 1.00 64.20 H new ATOM 0 HD13 LEU A 99 3.407 -9.028 -22.405 1.00 64.20 H new ATOM 0 HD21 LEU A 99 3.414 -8.897 -19.328 1.00 2.44 H new ATOM 0 HD22 LEU A 99 4.880 -8.740 -20.325 1.00 2.44 H new ATOM 0 HD23 LEU A 99 4.459 -7.467 -19.155 1.00 2.44 H new ATOM 1588 N GLU A 100 3.326 -3.358 -22.892 1.00 64.22 N ATOM 1589 CA GLU A 100 3.816 -1.993 -23.055 1.00 43.31 C ATOM 1590 C GLU A 100 3.965 -1.305 -21.702 1.00 30.33 C ATOM 1591 O GLU A 100 3.159 -1.512 -20.795 1.00 5.33 O ATOM 1592 CB GLU A 100 2.866 -1.190 -23.946 1.00 12.53 C ATOM 1593 CG GLU A 100 3.550 -0.071 -24.712 1.00 51.33 C ATOM 1594 CD GLU A 100 2.625 1.099 -24.986 1.00 23.35 C ATOM 1595 OE1 GLU A 100 1.791 1.413 -24.111 1.00 3.32 O ATOM 1596 OE2 GLU A 100 2.736 1.701 -26.075 1.00 13.23 O ATOM 0 H GLU A 100 2.344 -3.425 -22.625 1.00 64.22 H new ATOM 0 HA GLU A 100 4.796 -2.039 -23.530 1.00 43.31 H new ATOM 0 HB2 GLU A 100 2.389 -1.866 -24.656 1.00 12.53 H new ATOM 0 HB3 GLU A 100 2.074 -0.765 -23.329 1.00 12.53 H new ATOM 0 HG2 GLU A 100 4.413 0.278 -24.145 1.00 51.33 H new ATOM 0 HG3 GLU A 100 3.927 -0.461 -25.658 1.00 51.33 H new ATOM 1603 N ARG A 101 5.004 -0.486 -21.574 1.00 4.25 N ATOM 1604 CA ARG A 101 5.262 0.233 -20.331 1.00 32.41 C ATOM 1605 C ARG A 101 5.964 1.559 -20.606 1.00 74.21 C ATOM 1606 O ARG A 101 7.129 1.586 -21.003 1.00 12.55 O ATOM 1607 CB ARG A 101 6.114 -0.622 -19.391 1.00 44.21 C ATOM 1608 CG ARG A 101 7.293 -1.291 -20.077 1.00 1.21 C ATOM 1609 CD ARG A 101 8.442 -1.523 -19.108 1.00 54.35 C ATOM 1610 NE ARG A 101 9.154 -0.286 -18.798 1.00 52.24 N ATOM 1611 CZ ARG A 101 10.358 -0.252 -18.236 1.00 25.22 C ATOM 1612 NH1 ARG A 101 10.980 -1.381 -17.926 1.00 24.34 N ATOM 1613 NH2 ARG A 101 10.940 0.913 -17.984 1.00 11.44 N ATOM 0 H ARG A 101 5.681 -0.304 -22.315 1.00 4.25 H new ATOM 0 HA ARG A 101 4.304 0.441 -19.855 1.00 32.41 H new ATOM 0 HB2 ARG A 101 6.484 0.004 -18.579 1.00 44.21 H new ATOM 0 HB3 ARG A 101 5.484 -1.389 -18.940 1.00 44.21 H new ATOM 0 HG2 ARG A 101 6.976 -2.243 -20.502 1.00 1.21 H new ATOM 0 HG3 ARG A 101 7.634 -0.670 -20.905 1.00 1.21 H new ATOM 0 HD2 ARG A 101 8.057 -1.960 -18.187 1.00 54.35 H new ATOM 0 HD3 ARG A 101 9.138 -2.244 -19.537 1.00 54.35 H new ATOM 0 HE ARG A 101 8.703 0.600 -19.025 1.00 52.24 H new ATOM 0 HH11 ARG A 101 10.535 -2.278 -18.119 1.00 24.34 H new ATOM 0 HH12 ARG A 101 11.904 -1.352 -17.495 1.00 24.34 H new ATOM 0 HH21 ARG A 101 10.464 1.783 -18.221 1.00 11.44 H new ATOM 0 HH22 ARG A 101 11.864 0.939 -17.553 1.00 11.44 H new ATOM 1627 N ASP A 102 5.247 2.657 -20.393 1.00 73.03 N ATOM 1628 CA ASP A 102 5.800 3.987 -20.617 1.00 63.23 C ATOM 1629 C ASP A 102 6.241 4.155 -22.068 1.00 24.24 C ATOM 1630 O ASP A 102 7.151 4.928 -22.365 1.00 10.42 O ATOM 1631 CB ASP A 102 6.983 4.236 -19.679 1.00 41.13 C ATOM 1632 CG ASP A 102 7.346 5.704 -19.581 1.00 72.41 C ATOM 1633 OD1 ASP A 102 6.422 6.538 -19.478 1.00 22.03 O ATOM 1634 OD2 ASP A 102 8.555 6.020 -19.606 1.00 51.21 O ATOM 0 H ASP A 102 4.281 2.652 -20.065 1.00 73.03 H new ATOM 0 HA ASP A 102 5.019 4.718 -20.406 1.00 63.23 H new ATOM 0 HB2 ASP A 102 6.741 3.858 -18.686 1.00 41.13 H new ATOM 0 HB3 ASP A 102 7.847 3.674 -20.032 1.00 41.13 H new ATOM 1639 N GLY A 103 5.589 3.425 -22.968 1.00 2.43 N ATOM 1640 CA GLY A 103 5.928 3.507 -24.376 1.00 31.54 C ATOM 1641 C GLY A 103 6.766 2.333 -24.839 1.00 30.50 C ATOM 1642 O GLY A 103 6.600 1.844 -25.957 1.00 10.41 O ATOM 0 H GLY A 103 4.832 2.778 -22.747 1.00 2.43 H new ATOM 0 HA2 GLY A 103 5.012 3.551 -24.965 1.00 31.54 H new ATOM 0 HA3 GLY A 103 6.471 4.433 -24.562 1.00 31.54 H new ATOM 1646 N LYS A 104 7.672 1.879 -23.980 1.00 25.14 N ATOM 1647 CA LYS A 104 8.542 0.755 -24.306 1.00 25.34 C ATOM 1648 C LYS A 104 7.735 -0.531 -24.456 1.00 14.23 C ATOM 1649 O LYS A 104 6.892 -0.848 -23.616 1.00 31.24 O ATOM 1650 CB LYS A 104 9.609 0.577 -23.223 1.00 11.12 C ATOM 1651 CG LYS A 104 10.477 1.806 -23.018 1.00 33.24 C ATOM 1652 CD LYS A 104 11.663 1.816 -23.967 1.00 41.15 C ATOM 1653 CE LYS A 104 12.468 3.101 -23.840 1.00 4.32 C ATOM 1654 NZ LYS A 104 13.333 3.095 -22.628 1.00 32.45 N ATOM 0 H LYS A 104 7.823 2.273 -23.051 1.00 25.14 H new ATOM 0 HA LYS A 104 9.031 0.970 -25.256 1.00 25.34 H new ATOM 0 HB2 LYS A 104 9.121 0.326 -22.281 1.00 11.12 H new ATOM 0 HB3 LYS A 104 10.246 -0.267 -23.487 1.00 11.12 H new ATOM 0 HG2 LYS A 104 9.879 2.704 -23.172 1.00 33.24 H new ATOM 0 HG3 LYS A 104 10.834 1.833 -21.988 1.00 33.24 H new ATOM 0 HD2 LYS A 104 12.305 0.961 -23.757 1.00 41.15 H new ATOM 0 HD3 LYS A 104 11.311 1.706 -24.993 1.00 41.15 H new ATOM 0 HE2 LYS A 104 13.087 3.231 -24.728 1.00 4.32 H new ATOM 0 HE3 LYS A 104 11.789 3.953 -23.797 1.00 4.32 H new ATOM 0 HZ1 LYS A 104 13.865 3.987 -22.577 1.00 32.45 H new ATOM 0 HZ2 LYS A 104 12.740 2.996 -21.779 1.00 32.45 H new ATOM 0 HZ3 LYS A 104 13.998 2.297 -22.680 1.00 32.45 H new ATOM 1668 N LEU A 105 8.000 -1.269 -25.528 1.00 31.53 N ATOM 1669 CA LEU A 105 7.300 -2.522 -25.787 1.00 20.33 C ATOM 1670 C LEU A 105 8.186 -3.720 -25.459 1.00 75.31 C ATOM 1671 O LEU A 105 9.388 -3.705 -25.724 1.00 23.42 O ATOM 1672 CB LEU A 105 6.854 -2.588 -27.249 1.00 32.41 C ATOM 1673 CG LEU A 105 5.528 -3.301 -27.515 1.00 52.15 C ATOM 1674 CD1 LEU A 105 4.373 -2.313 -27.472 1.00 35.41 C ATOM 1675 CD2 LEU A 105 5.569 -4.018 -28.857 1.00 22.22 C ATOM 0 H LEU A 105 8.695 -1.021 -26.232 1.00 31.53 H new ATOM 0 HA LEU A 105 6.421 -2.557 -25.144 1.00 20.33 H new ATOM 0 HB2 LEU A 105 6.779 -1.570 -27.631 1.00 32.41 H new ATOM 0 HB3 LEU A 105 7.634 -3.088 -27.824 1.00 32.41 H new ATOM 0 HG LEU A 105 5.373 -4.044 -26.733 1.00 52.15 H new ATOM 0 HD11 LEU A 105 3.437 -2.838 -27.664 1.00 35.41 H new ATOM 0 HD12 LEU A 105 4.331 -1.845 -26.489 1.00 35.41 H new ATOM 0 HD13 LEU A 105 4.521 -1.547 -28.233 1.00 35.41 H new ATOM 0 HD21 LEU A 105 4.617 -4.520 -29.030 1.00 22.22 H new ATOM 0 HD22 LEU A 105 5.747 -3.293 -29.651 1.00 22.22 H new ATOM 0 HD23 LEU A 105 6.372 -4.755 -28.851 1.00 22.22 H new ATOM 1687 N MET A 106 7.584 -4.754 -24.884 1.00 74.33 N ATOM 1688 CA MET A 106 8.320 -5.962 -24.523 1.00 20.31 C ATOM 1689 C MET A 106 7.552 -7.211 -24.942 1.00 43.33 C ATOM 1690 O MET A 106 6.326 -7.192 -25.050 1.00 3.02 O ATOM 1691 CB MET A 106 8.583 -5.993 -23.016 1.00 44.33 C ATOM 1692 CG MET A 106 9.816 -6.794 -22.631 1.00 71.01 C ATOM 1693 SD MET A 106 9.967 -7.026 -20.849 1.00 50.21 S ATOM 1694 CE MET A 106 11.096 -5.699 -20.430 1.00 61.54 C ATOM 0 H MET A 106 6.590 -4.782 -24.657 1.00 74.33 H new ATOM 0 HA MET A 106 9.273 -5.948 -25.051 1.00 20.31 H new ATOM 0 HB2 MET A 106 8.696 -4.971 -22.654 1.00 44.33 H new ATOM 0 HB3 MET A 106 7.713 -6.415 -22.512 1.00 44.33 H new ATOM 0 HG2 MET A 106 9.778 -7.768 -23.118 1.00 71.01 H new ATOM 0 HG3 MET A 106 10.705 -6.286 -23.004 1.00 71.01 H new ATOM 0 HE1 MET A 106 11.289 -5.710 -19.357 1.00 61.54 H new ATOM 0 HE2 MET A 106 12.034 -5.836 -20.968 1.00 61.54 H new ATOM 0 HE3 MET A 106 10.653 -4.743 -20.709 1.00 61.54 H new ATOM 1704 N VAL A 107 8.281 -8.297 -25.180 1.00 75.01 N ATOM 1705 CA VAL A 107 7.669 -9.556 -25.586 1.00 61.12 C ATOM 1706 C VAL A 107 7.355 -10.431 -24.378 1.00 44.11 C ATOM 1707 O VAL A 107 8.176 -10.575 -23.473 1.00 61.33 O ATOM 1708 CB VAL A 107 8.581 -10.338 -26.550 1.00 11.11 C ATOM 1709 CG1 VAL A 107 8.929 -9.490 -27.764 1.00 22.41 C ATOM 1710 CG2 VAL A 107 9.842 -10.799 -25.834 1.00 1.13 C ATOM 0 H VAL A 107 9.297 -8.330 -25.098 1.00 75.01 H new ATOM 0 HA VAL A 107 6.741 -9.305 -26.099 1.00 61.12 H new ATOM 0 HB VAL A 107 8.042 -11.220 -26.895 1.00 11.11 H new ATOM 0 HG11 VAL A 107 9.574 -10.060 -28.433 1.00 22.41 H new ATOM 0 HG12 VAL A 107 8.015 -9.214 -28.289 1.00 22.41 H new ATOM 0 HG13 VAL A 107 9.448 -8.588 -27.441 1.00 22.41 H new ATOM 0 HG21 VAL A 107 10.475 -11.350 -26.530 1.00 1.13 H new ATOM 0 HG22 VAL A 107 10.385 -9.932 -25.458 1.00 1.13 H new ATOM 0 HG23 VAL A 107 9.571 -11.446 -25.000 1.00 1.13 H new ATOM 1720 N GLY A 108 6.161 -11.014 -24.371 1.00 3.25 N ATOM 1721 CA GLY A 108 5.759 -11.869 -23.269 1.00 34.24 C ATOM 1722 C GLY A 108 6.647 -13.089 -23.129 1.00 63.12 C ATOM 1723 O GLY A 108 7.574 -13.286 -23.915 1.00 74.34 O ATOM 0 H GLY A 108 5.464 -10.910 -25.109 1.00 3.25 H new ATOM 0 HA2 GLY A 108 5.784 -11.297 -22.341 1.00 34.24 H new ATOM 0 HA3 GLY A 108 4.728 -12.189 -23.419 1.00 34.24 H new ATOM 1727 N PHE A 109 6.366 -13.910 -22.122 1.00 65.53 N ATOM 1728 CA PHE A 109 7.148 -15.117 -21.879 1.00 34.22 C ATOM 1729 C PHE A 109 6.248 -16.270 -21.445 1.00 13.12 C ATOM 1730 O PHE A 109 5.156 -16.058 -20.921 1.00 33.42 O ATOM 1731 CB PHE A 109 8.211 -14.854 -20.809 1.00 43.33 C ATOM 1732 CG PHE A 109 9.507 -14.338 -21.366 1.00 4.44 C ATOM 1733 CD1 PHE A 109 9.700 -12.980 -21.560 1.00 74.21 C ATOM 1734 CD2 PHE A 109 10.531 -15.210 -21.694 1.00 64.54 C ATOM 1735 CE1 PHE A 109 10.891 -12.502 -22.072 1.00 22.11 C ATOM 1736 CE2 PHE A 109 11.725 -14.738 -22.206 1.00 30.44 C ATOM 1737 CZ PHE A 109 11.905 -13.382 -22.395 1.00 13.51 C ATOM 0 H PHE A 109 5.603 -13.762 -21.461 1.00 65.53 H new ATOM 0 HA PHE A 109 7.641 -15.395 -22.811 1.00 34.22 H new ATOM 0 HB2 PHE A 109 7.821 -14.133 -20.090 1.00 43.33 H new ATOM 0 HB3 PHE A 109 8.402 -15.778 -20.263 1.00 43.33 H new ATOM 0 HD1 PHE A 109 8.911 -12.287 -21.308 1.00 74.21 H new ATOM 0 HD2 PHE A 109 10.395 -16.271 -21.548 1.00 64.54 H new ATOM 0 HE1 PHE A 109 11.029 -11.441 -22.219 1.00 22.11 H new ATOM 0 HE2 PHE A 109 12.516 -15.429 -22.458 1.00 30.44 H new ATOM 0 HZ PHE A 109 12.837 -13.010 -22.795 1.00 13.51 H new ATOM 1747 N LYS A 110 6.716 -17.494 -21.671 1.00 53.10 N ATOM 1748 CA LYS A 110 5.955 -18.683 -21.304 1.00 31.01 C ATOM 1749 C LYS A 110 5.525 -18.624 -19.842 1.00 43.41 C ATOM 1750 O LYS A 110 6.101 -17.901 -19.028 1.00 73.41 O ATOM 1751 CB LYS A 110 6.789 -19.942 -21.551 1.00 1.21 C ATOM 1752 CG LYS A 110 6.765 -20.413 -22.996 1.00 30.45 C ATOM 1753 CD LYS A 110 5.411 -20.989 -23.373 1.00 25.15 C ATOM 1754 CE LYS A 110 5.280 -22.440 -22.934 1.00 71.12 C ATOM 1755 NZ LYS A 110 3.937 -22.997 -23.253 1.00 33.33 N ATOM 0 H LYS A 110 7.618 -17.688 -22.106 1.00 53.10 H new ATOM 0 HA LYS A 110 5.061 -18.718 -21.926 1.00 31.01 H new ATOM 0 HB2 LYS A 110 7.821 -19.748 -21.258 1.00 1.21 H new ATOM 0 HB3 LYS A 110 6.421 -20.743 -20.910 1.00 1.21 H new ATOM 0 HG2 LYS A 110 7.003 -19.578 -23.656 1.00 30.45 H new ATOM 0 HG3 LYS A 110 7.537 -21.168 -23.146 1.00 30.45 H new ATOM 0 HD2 LYS A 110 4.621 -20.396 -22.912 1.00 25.15 H new ATOM 0 HD3 LYS A 110 5.273 -20.920 -24.452 1.00 25.15 H new ATOM 0 HE2 LYS A 110 6.047 -23.039 -23.425 1.00 71.12 H new ATOM 0 HE3 LYS A 110 5.458 -22.512 -21.861 1.00 71.12 H new ATOM 0 HZ1 LYS A 110 3.888 -23.987 -22.938 1.00 33.33 H new ATOM 0 HZ2 LYS A 110 3.206 -22.442 -22.764 1.00 33.33 H new ATOM 0 HZ3 LYS A 110 3.777 -22.952 -24.280 1.00 33.33 H new ATOM 1769 N PRO A 111 4.489 -19.403 -19.497 1.00 3.22 N ATOM 1770 CA PRO A 111 3.961 -19.459 -18.130 1.00 31.43 C ATOM 1771 C PRO A 111 4.922 -20.142 -17.165 1.00 53.03 C ATOM 1772 O PRO A 111 5.203 -19.625 -16.084 1.00 72.25 O ATOM 1773 CB PRO A 111 2.678 -20.282 -18.280 1.00 2.05 C ATOM 1774 CG PRO A 111 2.904 -21.118 -19.491 1.00 62.33 C ATOM 1775 CD PRO A 111 3.754 -20.290 -20.414 1.00 71.40 C ATOM 0 HA PRO A 111 3.800 -18.465 -17.714 1.00 31.43 H new ATOM 0 HB2 PRO A 111 2.499 -20.900 -17.400 1.00 2.05 H new ATOM 0 HB3 PRO A 111 1.807 -19.638 -18.400 1.00 2.05 H new ATOM 0 HG2 PRO A 111 3.404 -22.052 -19.233 1.00 62.33 H new ATOM 0 HG3 PRO A 111 1.958 -21.383 -19.964 1.00 62.33 H new ATOM 0 HD2 PRO A 111 4.431 -20.910 -21.002 1.00 71.40 H new ATOM 0 HD3 PRO A 111 3.147 -19.724 -21.120 1.00 71.40 H new ATOM 1783 N ALA A 112 5.425 -21.306 -17.561 1.00 62.44 N ATOM 1784 CA ALA A 112 6.357 -22.058 -16.731 1.00 52.52 C ATOM 1785 C ALA A 112 7.603 -21.236 -16.421 1.00 34.24 C ATOM 1786 O ALA A 112 8.115 -21.267 -15.302 1.00 74.33 O ATOM 1787 CB ALA A 112 6.741 -23.362 -17.416 1.00 45.03 C ATOM 0 H ALA A 112 5.202 -21.749 -18.452 1.00 62.44 H new ATOM 0 HA ALA A 112 5.860 -22.287 -15.788 1.00 52.52 H new ATOM 0 HB1 ALA A 112 7.438 -23.913 -16.784 1.00 45.03 H new ATOM 0 HB2 ALA A 112 5.847 -23.963 -17.581 1.00 45.03 H new ATOM 0 HB3 ALA A 112 7.214 -23.144 -18.374 1.00 45.03 H new ATOM 1793 N GLN A 113 8.086 -20.501 -17.418 1.00 34.25 N ATOM 1794 CA GLN A 113 9.272 -19.671 -17.250 1.00 42.12 C ATOM 1795 C GLN A 113 8.979 -18.478 -16.347 1.00 63.54 C ATOM 1796 O GLN A 113 9.732 -18.190 -15.416 1.00 30.03 O ATOM 1797 CB GLN A 113 9.777 -19.185 -18.610 1.00 62.35 C ATOM 1798 CG GLN A 113 10.030 -20.308 -19.601 1.00 53.13 C ATOM 1799 CD GLN A 113 11.154 -21.229 -19.167 1.00 30.34 C ATOM 1800 OE1 GLN A 113 10.919 -22.365 -18.757 1.00 1.43 O ATOM 1801 NE2 GLN A 113 12.387 -20.740 -19.255 1.00 31.33 N ATOM 0 H GLN A 113 7.674 -20.464 -18.350 1.00 34.25 H new ATOM 0 HA GLN A 113 10.045 -20.278 -16.779 1.00 42.12 H new ATOM 0 HB2 GLN A 113 9.047 -18.495 -19.034 1.00 62.35 H new ATOM 0 HB3 GLN A 113 10.700 -18.624 -18.466 1.00 62.35 H new ATOM 0 HG2 GLN A 113 9.117 -20.890 -19.726 1.00 53.13 H new ATOM 0 HG3 GLN A 113 10.271 -19.881 -20.574 1.00 53.13 H new ATOM 0 HE21 GLN A 113 12.536 -19.792 -19.601 1.00 31.33 H new ATOM 0 HE22 GLN A 113 13.184 -21.313 -18.977 1.00 31.33 H new ATOM 1810 N TYR A 114 7.880 -17.786 -16.628 1.00 74.31 N ATOM 1811 CA TYR A 114 7.489 -16.621 -15.843 1.00 32.54 C ATOM 1812 C TYR A 114 7.374 -16.975 -14.364 1.00 30.52 C ATOM 1813 O TYR A 114 7.814 -16.220 -13.498 1.00 21.43 O ATOM 1814 CB TYR A 114 6.158 -16.062 -16.350 1.00 52.21 C ATOM 1815 CG TYR A 114 6.023 -14.566 -16.173 1.00 71.23 C ATOM 1816 CD1 TYR A 114 6.998 -13.699 -16.653 1.00 2.14 C ATOM 1817 CD2 TYR A 114 4.920 -14.019 -15.529 1.00 72.04 C ATOM 1818 CE1 TYR A 114 6.879 -12.332 -16.493 1.00 70.32 C ATOM 1819 CE2 TYR A 114 4.793 -12.653 -15.366 1.00 0.14 C ATOM 1820 CZ TYR A 114 5.775 -11.814 -15.850 1.00 74.52 C ATOM 1821 OH TYR A 114 5.652 -10.453 -15.690 1.00 24.42 O ATOM 0 H TYR A 114 7.244 -18.012 -17.393 1.00 74.31 H new ATOM 0 HA TYR A 114 8.262 -15.861 -15.957 1.00 32.54 H new ATOM 0 HB2 TYR A 114 6.050 -16.306 -17.407 1.00 52.21 H new ATOM 0 HB3 TYR A 114 5.342 -16.557 -15.824 1.00 52.21 H new ATOM 0 HD1 TYR A 114 7.863 -14.101 -17.160 1.00 2.14 H new ATOM 0 HD2 TYR A 114 4.149 -14.673 -15.149 1.00 72.04 H new ATOM 0 HE1 TYR A 114 7.647 -11.673 -16.870 1.00 70.32 H new ATOM 0 HE2 TYR A 114 3.929 -12.244 -14.862 1.00 0.14 H new ATOM 0 HH TYR A 114 4.817 -10.253 -15.218 1.00 24.42 H new ATOM 1831 N GLU A 115 6.777 -18.130 -14.082 1.00 14.02 N ATOM 1832 CA GLU A 115 6.603 -18.585 -12.708 1.00 22.21 C ATOM 1833 C GLU A 115 7.942 -18.988 -12.096 1.00 15.44 C ATOM 1834 O GLU A 115 8.262 -18.604 -10.972 1.00 4.40 O ATOM 1835 CB GLU A 115 5.630 -19.764 -12.657 1.00 5.22 C ATOM 1836 CG GLU A 115 4.300 -19.485 -13.336 1.00 30.50 C ATOM 1837 CD GLU A 115 3.134 -19.506 -12.366 1.00 42.21 C ATOM 1838 OE1 GLU A 115 3.270 -18.939 -11.262 1.00 54.12 O ATOM 1839 OE2 GLU A 115 2.085 -20.091 -12.712 1.00 14.10 O ATOM 0 H GLU A 115 6.406 -18.767 -14.787 1.00 14.02 H new ATOM 0 HA GLU A 115 6.191 -17.759 -12.127 1.00 22.21 H new ATOM 0 HB2 GLU A 115 6.095 -20.629 -13.130 1.00 5.22 H new ATOM 0 HB3 GLU A 115 5.448 -20.029 -11.616 1.00 5.22 H new ATOM 0 HG2 GLU A 115 4.343 -18.512 -13.825 1.00 30.50 H new ATOM 0 HG3 GLU A 115 4.132 -20.227 -14.116 1.00 30.50 H new ATOM 1846 N ALA A 116 8.718 -19.766 -12.843 1.00 50.22 N ATOM 1847 CA ALA A 116 10.021 -20.221 -12.375 1.00 4.31 C ATOM 1848 C ALA A 116 10.930 -19.041 -12.049 1.00 51.44 C ATOM 1849 O ALA A 116 11.592 -19.023 -11.011 1.00 72.23 O ATOM 1850 CB ALA A 116 10.672 -21.118 -13.417 1.00 54.13 C ATOM 0 H ALA A 116 8.467 -20.094 -13.775 1.00 50.22 H new ATOM 0 HA ALA A 116 9.871 -20.794 -11.460 1.00 4.31 H new ATOM 0 HB1 ALA A 116 11.645 -21.451 -13.054 1.00 54.13 H new ATOM 0 HB2 ALA A 116 10.037 -21.985 -13.599 1.00 54.13 H new ATOM 0 HB3 ALA A 116 10.802 -20.562 -14.346 1.00 54.13 H new ATOM 1856 N TYR A 117 10.956 -18.057 -12.941 1.00 54.32 N ATOM 1857 CA TYR A 117 11.787 -16.873 -12.749 1.00 43.12 C ATOM 1858 C TYR A 117 11.209 -15.973 -11.661 1.00 23.32 C ATOM 1859 O TYR A 117 11.947 -15.353 -10.895 1.00 72.22 O ATOM 1860 CB TYR A 117 11.912 -16.094 -14.059 1.00 24.03 C ATOM 1861 CG TYR A 117 13.332 -15.984 -14.567 1.00 64.05 C ATOM 1862 CD1 TYR A 117 14.272 -15.210 -13.898 1.00 53.14 C ATOM 1863 CD2 TYR A 117 13.733 -16.658 -15.714 1.00 22.44 C ATOM 1864 CE1 TYR A 117 15.570 -15.107 -14.359 1.00 11.13 C ATOM 1865 CE2 TYR A 117 15.030 -16.562 -16.181 1.00 40.30 C ATOM 1866 CZ TYR A 117 15.944 -15.785 -15.500 1.00 14.53 C ATOM 1867 OH TYR A 117 17.237 -15.686 -15.961 1.00 31.20 O ATOM 0 H TYR A 117 10.412 -18.055 -13.804 1.00 54.32 H new ATOM 0 HA TYR A 117 12.777 -17.202 -12.435 1.00 43.12 H new ATOM 0 HB2 TYR A 117 11.300 -16.579 -14.820 1.00 24.03 H new ATOM 0 HB3 TYR A 117 11.508 -15.092 -13.916 1.00 24.03 H new ATOM 0 HD1 TYR A 117 13.983 -14.680 -13.002 1.00 53.14 H new ATOM 0 HD2 TYR A 117 13.019 -17.267 -16.249 1.00 22.44 H new ATOM 0 HE1 TYR A 117 16.288 -14.499 -13.829 1.00 11.13 H new ATOM 0 HE2 TYR A 117 15.326 -17.092 -17.074 1.00 40.30 H new ATOM 0 HH TYR A 117 17.337 -16.225 -16.774 1.00 31.20 H new ATOM 1877 N PHE A 118 9.884 -15.907 -11.599 1.00 14.14 N ATOM 1878 CA PHE A 118 9.205 -15.084 -10.606 1.00 2.10 C ATOM 1879 C PHE A 118 8.794 -15.917 -9.395 1.00 23.32 C ATOM 1880 O PHE A 118 7.793 -15.630 -8.739 1.00 14.34 O ATOM 1881 CB PHE A 118 7.973 -14.416 -11.222 1.00 24.24 C ATOM 1882 CG PHE A 118 7.509 -13.203 -10.469 1.00 65.14 C ATOM 1883 CD1 PHE A 118 8.323 -12.086 -10.358 1.00 41.02 C ATOM 1884 CD2 PHE A 118 6.260 -13.177 -9.871 1.00 55.11 C ATOM 1885 CE1 PHE A 118 7.899 -10.969 -9.665 1.00 73.25 C ATOM 1886 CE2 PHE A 118 5.829 -12.062 -9.177 1.00 41.31 C ATOM 1887 CZ PHE A 118 6.650 -10.955 -9.074 1.00 31.03 C ATOM 0 H PHE A 118 9.259 -16.414 -12.225 1.00 14.14 H new ATOM 0 HA PHE A 118 9.901 -14.313 -10.274 1.00 2.10 H new ATOM 0 HB2 PHE A 118 8.200 -14.131 -12.249 1.00 24.24 H new ATOM 0 HB3 PHE A 118 7.160 -15.141 -11.264 1.00 24.24 H new ATOM 0 HD1 PHE A 118 9.300 -12.089 -10.819 1.00 41.02 H new ATOM 0 HD2 PHE A 118 5.614 -14.039 -9.948 1.00 55.11 H new ATOM 0 HE1 PHE A 118 8.544 -10.106 -9.585 1.00 73.25 H new ATOM 0 HE2 PHE A 118 4.852 -12.056 -8.716 1.00 41.31 H new ATOM 0 HZ PHE A 118 6.316 -10.082 -8.533 1.00 31.03 H new