USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 835 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 135 HIS : no HD1:sc= 1.04 K(o=2.1,f=-4.9!) USER MOD Set 1.2: A 136 SER OG : rot 76:sc= 1.07 USER MOD Single : A 22 LYS NZ :NH3+ -125:sc= 0.0239 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -85:sc= 1.29 USER MOD Single : A 34 LYS NZ :NH3+ -140:sc= 0.769 (180deg=-0.053) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0146 USER MOD Single : A 38 SER OG : rot -170:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -6.04! C(o=-6!,f=-12!) USER MOD Single : A 41 SER OG : rot 180:sc=0.000184 USER MOD Single : A 43 HIS : no HE2:sc= 1.07 K(o=1.1,f=-5.2!) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 HIS : no HE2:sc= -0.428 X(o=-0.43,f=-0.37) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.419 K(o=-0.42,f=-8.6!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.38) USER MOD Single : A 64 THR OG1 : rot 29:sc= 1.06 USER MOD Single : A 65 THR OG1 : rot -150:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.278 X(o=-0.28,f=0) USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -179:sc= 1.16 (180deg=1.13) USER MOD Single : A 81 LYS NZ :NH3+ -179:sc= 0.789 (180deg=0.701) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -179:sc= 1.25 (180deg=1.18) USER MOD Single : A 104 LYS NZ :NH3+ 177:sc= 1.02 (180deg=0.999) USER MOD Single : A 105 SER OG : rot 162:sc= 2.13 USER MOD Single : A 123 TYR OH : rot 77:sc= 0.28 USER MOD Single : A 128 LYS NZ :NH3+ 169:sc= -0.0163 (180deg=-0.152) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 132 CYS SG : rot 110:sc= -1.58 USER MOD Single : A 138 LYS NZ :NH3+ 175:sc= 1.32 (180deg=1.19) USER MOD Single : A 141 MET CE :methyl -166:sc= -0.0758 (180deg=-0.549) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 143 LYS NZ :NH3+ 159:sc= 1.23 (180deg=1.07) USER MOD ----------------------------------------------------------------- ATOM 60 N ASP A 18 -16.293 11.978 11.064 1.00 5.00 N ATOM 61 CA ASP A 18 -15.371 11.410 12.025 1.00 51.11 C ATOM 62 C ASP A 18 -15.911 10.078 12.516 1.00 20.04 C ATOM 63 O ASP A 18 -15.176 9.090 12.667 1.00 1.33 O ATOM 64 CB ASP A 18 -15.184 12.384 13.175 1.00 13.42 C ATOM 65 CG ASP A 18 -14.163 11.935 14.177 1.00 1.03 C ATOM 66 OD1 ASP A 18 -14.549 11.428 15.232 1.00 2.24 O ATOM 67 OD2 ASP A 18 -12.943 12.117 13.936 1.00 74.24 O ATOM 0 HA ASP A 18 -14.401 11.235 11.560 1.00 51.11 H new ATOM 0 HB2 ASP A 18 -14.888 13.354 12.775 1.00 13.42 H new ATOM 0 HB3 ASP A 18 -16.140 12.526 13.680 1.00 13.42 H new ATOM 72 N LEU A 19 -17.215 10.038 12.706 1.00 22.30 N ATOM 73 CA LEU A 19 -17.898 8.830 13.106 1.00 53.51 C ATOM 74 C LEU A 19 -17.821 7.811 11.960 1.00 45.13 C ATOM 75 O LEU A 19 -17.643 6.627 12.189 1.00 10.43 O ATOM 76 CB LEU A 19 -19.367 9.173 13.505 1.00 71.53 C ATOM 77 CG LEU A 19 -20.266 8.054 14.112 1.00 34.31 C ATOM 78 CD1 LEU A 19 -20.741 7.059 13.067 1.00 12.21 C ATOM 79 CD2 LEU A 19 -19.540 7.329 15.239 1.00 32.15 C ATOM 0 H LEU A 19 -17.829 10.844 12.587 1.00 22.30 H new ATOM 0 HA LEU A 19 -17.422 8.383 13.979 1.00 53.51 H new ATOM 0 HB2 LEU A 19 -19.330 9.992 14.224 1.00 71.53 H new ATOM 0 HB3 LEU A 19 -19.870 9.552 12.615 1.00 71.53 H new ATOM 0 HG LEU A 19 -21.150 8.547 14.516 1.00 34.31 H new ATOM 0 HD11 LEU A 19 -21.363 6.301 13.543 1.00 12.21 H new ATOM 0 HD12 LEU A 19 -21.322 7.580 12.306 1.00 12.21 H new ATOM 0 HD13 LEU A 19 -19.879 6.581 12.601 1.00 12.21 H new ATOM 0 HD21 LEU A 19 -20.186 6.552 15.648 1.00 32.15 H new ATOM 0 HD22 LEU A 19 -18.628 6.875 14.852 1.00 32.15 H new ATOM 0 HD23 LEU A 19 -19.286 8.040 16.025 1.00 32.15 H new ATOM 91 N ASP A 20 -17.888 8.313 10.742 1.00 12.23 N ATOM 92 CA ASP A 20 -17.855 7.491 9.533 1.00 44.15 C ATOM 93 C ASP A 20 -16.526 6.792 9.420 1.00 71.21 C ATOM 94 O ASP A 20 -16.469 5.570 9.251 1.00 35.52 O ATOM 95 CB ASP A 20 -18.107 8.366 8.295 1.00 13.24 C ATOM 96 CG ASP A 20 -18.146 7.599 6.995 1.00 42.02 C ATOM 97 OD1 ASP A 20 -19.141 6.877 6.738 1.00 14.30 O ATOM 98 OD2 ASP A 20 -17.225 7.743 6.178 1.00 64.21 O ATOM 0 H ASP A 20 -17.968 9.313 10.555 1.00 12.23 H new ATOM 0 HA ASP A 20 -18.641 6.738 9.594 1.00 44.15 H new ATOM 0 HB2 ASP A 20 -19.053 8.893 8.422 1.00 13.24 H new ATOM 0 HB3 ASP A 20 -17.326 9.124 8.234 1.00 13.24 H new ATOM 103 N VAL A 21 -15.452 7.555 9.573 1.00 52.12 N ATOM 104 CA VAL A 21 -14.122 6.988 9.498 1.00 2.15 C ATOM 105 C VAL A 21 -13.850 5.996 10.625 1.00 34.02 C ATOM 106 O VAL A 21 -13.349 4.907 10.369 1.00 42.04 O ATOM 107 CB VAL A 21 -12.984 8.049 9.396 1.00 41.23 C ATOM 108 CG1 VAL A 21 -13.032 9.018 10.534 1.00 12.41 C ATOM 109 CG2 VAL A 21 -11.613 7.386 9.342 1.00 74.35 C ATOM 0 H VAL A 21 -15.480 8.559 9.748 1.00 52.12 H new ATOM 0 HA VAL A 21 -14.108 6.440 8.556 1.00 2.15 H new ATOM 0 HB VAL A 21 -13.146 8.598 8.468 1.00 41.23 H new ATOM 0 HG11 VAL A 21 -12.224 9.742 10.429 1.00 12.41 H new ATOM 0 HG12 VAL A 21 -13.989 9.539 10.528 1.00 12.41 H new ATOM 0 HG13 VAL A 21 -12.917 8.480 11.475 1.00 12.41 H new ATOM 0 HG21 VAL A 21 -10.841 8.152 9.271 1.00 74.35 H new ATOM 0 HG22 VAL A 21 -11.458 6.797 10.246 1.00 74.35 H new ATOM 0 HG23 VAL A 21 -11.558 6.734 8.470 1.00 74.35 H new ATOM 119 N LYS A 22 -14.201 6.338 11.862 1.00 23.24 N ATOM 120 CA LYS A 22 -13.933 5.406 12.945 1.00 71.10 C ATOM 121 C LYS A 22 -14.873 4.208 12.884 1.00 31.33 C ATOM 122 O LYS A 22 -14.529 3.125 13.338 1.00 54.32 O ATOM 123 CB LYS A 22 -13.938 6.079 14.325 1.00 21.55 C ATOM 124 CG LYS A 22 -15.257 6.710 14.731 1.00 50.25 C ATOM 125 CD LYS A 22 -15.161 7.391 16.091 1.00 72.54 C ATOM 126 CE LYS A 22 -14.118 8.512 16.098 1.00 32.24 C ATOM 127 NZ LYS A 22 -14.083 9.250 17.384 1.00 44.21 N ATOM 0 H LYS A 22 -14.651 7.213 12.130 1.00 23.24 H new ATOM 0 HA LYS A 22 -12.918 5.036 12.801 1.00 71.10 H new ATOM 0 HB2 LYS A 22 -13.663 5.337 15.074 1.00 21.55 H new ATOM 0 HB3 LYS A 22 -13.166 6.848 14.339 1.00 21.55 H new ATOM 0 HG2 LYS A 22 -15.558 7.440 13.979 1.00 50.25 H new ATOM 0 HG3 LYS A 22 -16.033 5.945 14.761 1.00 50.25 H new ATOM 0 HD2 LYS A 22 -16.135 7.800 16.361 1.00 72.54 H new ATOM 0 HD3 LYS A 22 -14.904 6.652 16.850 1.00 72.54 H new ATOM 0 HE2 LYS A 22 -13.133 8.089 15.899 1.00 32.24 H new ATOM 0 HE3 LYS A 22 -14.334 9.209 15.289 1.00 32.24 H new ATOM 0 HZ1 LYS A 22 -14.216 10.266 17.205 1.00 44.21 H new ATOM 0 HZ2 LYS A 22 -14.844 8.905 18.003 1.00 44.21 H new ATOM 0 HZ3 LYS A 22 -13.164 9.097 17.847 1.00 44.21 H new ATOM 141 N GLY A 23 -16.041 4.400 12.298 1.00 43.43 N ATOM 142 CA GLY A 23 -16.976 3.323 12.140 1.00 31.52 C ATOM 143 C GLY A 23 -16.473 2.297 11.150 1.00 50.15 C ATOM 144 O GLY A 23 -16.318 1.093 11.495 1.00 65.23 O ATOM 0 H GLY A 23 -16.356 5.296 11.926 1.00 43.43 H new ATOM 0 HA2 GLY A 23 -17.150 2.846 13.104 1.00 31.52 H new ATOM 0 HA3 GLY A 23 -17.934 3.718 11.802 1.00 31.52 H new ATOM 148 N LEU A 24 -16.151 2.767 9.944 1.00 74.14 N ATOM 149 CA LEU A 24 -15.671 1.890 8.895 1.00 42.23 C ATOM 150 C LEU A 24 -14.314 1.347 9.304 1.00 53.03 C ATOM 151 O LEU A 24 -14.039 0.185 9.117 1.00 61.11 O ATOM 152 CB LEU A 24 -15.607 2.635 7.518 1.00 13.41 C ATOM 153 CG LEU A 24 -14.395 3.573 7.253 1.00 24.13 C ATOM 154 CD1 LEU A 24 -13.219 2.829 6.606 1.00 24.13 C ATOM 155 CD2 LEU A 24 -14.788 4.782 6.428 1.00 72.12 C ATOM 0 H LEU A 24 -16.216 3.749 9.677 1.00 74.14 H new ATOM 0 HA LEU A 24 -16.365 1.059 8.763 1.00 42.23 H new ATOM 0 HB2 LEU A 24 -15.626 1.883 6.730 1.00 13.41 H new ATOM 0 HB3 LEU A 24 -16.517 3.227 7.416 1.00 13.41 H new ATOM 0 HG LEU A 24 -14.061 3.929 8.228 1.00 24.13 H new ATOM 0 HD11 LEU A 24 -12.396 3.524 6.440 1.00 24.13 H new ATOM 0 HD12 LEU A 24 -12.889 2.027 7.266 1.00 24.13 H new ATOM 0 HD13 LEU A 24 -13.536 2.407 5.652 1.00 24.13 H new ATOM 0 HD21 LEU A 24 -13.913 5.412 6.265 1.00 72.12 H new ATOM 0 HD22 LEU A 24 -15.183 4.454 5.466 1.00 72.12 H new ATOM 0 HD23 LEU A 24 -15.551 5.352 6.958 1.00 72.12 H new ATOM 167 N GLY A 25 -13.499 2.209 9.923 1.00 14.54 N ATOM 168 CA GLY A 25 -12.175 1.841 10.362 1.00 53.44 C ATOM 169 C GLY A 25 -12.206 0.734 11.369 1.00 13.12 C ATOM 170 O GLY A 25 -11.415 -0.205 11.288 1.00 72.21 O ATOM 0 H GLY A 25 -13.751 3.176 10.127 1.00 14.54 H new ATOM 0 HA2 GLY A 25 -11.581 1.532 9.502 1.00 53.44 H new ATOM 0 HA3 GLY A 25 -11.682 2.711 10.795 1.00 53.44 H new ATOM 174 N TYR A 26 -13.133 0.824 12.308 1.00 51.44 N ATOM 175 CA TYR A 26 -13.296 -0.202 13.303 1.00 35.10 C ATOM 176 C TYR A 26 -13.730 -1.500 12.657 1.00 35.51 C ATOM 177 O TYR A 26 -13.161 -2.526 12.942 1.00 13.02 O ATOM 178 CB TYR A 26 -14.284 0.215 14.404 1.00 11.11 C ATOM 179 CG TYR A 26 -14.547 -0.859 15.447 1.00 4.40 C ATOM 180 CD1 TYR A 26 -15.703 -1.625 15.401 1.00 21.02 C ATOM 181 CD2 TYR A 26 -13.633 -1.117 16.461 1.00 73.35 C ATOM 182 CE1 TYR A 26 -15.945 -2.611 16.328 1.00 11.24 C ATOM 183 CE2 TYR A 26 -13.870 -2.106 17.399 1.00 75.14 C ATOM 184 CZ TYR A 26 -15.030 -2.849 17.324 1.00 4.35 C ATOM 185 OH TYR A 26 -15.274 -3.841 18.248 1.00 22.01 O ATOM 0 H TYR A 26 -13.783 1.605 12.395 1.00 51.44 H new ATOM 0 HA TYR A 26 -12.328 -0.353 13.780 1.00 35.10 H new ATOM 0 HB2 TYR A 26 -13.899 1.104 14.904 1.00 11.11 H new ATOM 0 HB3 TYR A 26 -15.230 0.494 13.940 1.00 11.11 H new ATOM 0 HD1 TYR A 26 -16.427 -1.443 14.621 1.00 21.02 H new ATOM 0 HD2 TYR A 26 -12.724 -0.537 16.518 1.00 73.35 H new ATOM 0 HE1 TYR A 26 -16.851 -3.196 16.273 1.00 11.24 H new ATOM 0 HE2 TYR A 26 -13.153 -2.295 18.184 1.00 75.14 H new ATOM 0 HH TYR A 26 -14.531 -3.884 18.886 1.00 22.01 H new ATOM 195 N ASP A 27 -14.711 -1.441 11.747 1.00 63.00 N ATOM 196 CA ASP A 27 -15.209 -2.672 11.103 1.00 54.32 C ATOM 197 C ASP A 27 -14.132 -3.297 10.228 1.00 33.24 C ATOM 198 O ASP A 27 -13.956 -4.514 10.210 1.00 0.13 O ATOM 199 CB ASP A 27 -16.492 -2.420 10.297 1.00 24.32 C ATOM 200 CG ASP A 27 -17.099 -3.706 9.735 1.00 73.42 C ATOM 201 OD1 ASP A 27 -17.124 -3.888 8.494 1.00 32.23 O ATOM 202 OD2 ASP A 27 -17.584 -4.560 10.539 1.00 75.23 O ATOM 0 H ASP A 27 -15.168 -0.581 11.443 1.00 63.00 H new ATOM 0 HA ASP A 27 -15.460 -3.375 11.897 1.00 54.32 H new ATOM 0 HB2 ASP A 27 -17.225 -1.926 10.934 1.00 24.32 H new ATOM 0 HB3 ASP A 27 -16.272 -1.738 9.476 1.00 24.32 H new ATOM 207 N PHE A 28 -13.390 -2.439 9.559 1.00 63.25 N ATOM 208 CA PHE A 28 -12.269 -2.806 8.711 1.00 43.25 C ATOM 209 C PHE A 28 -11.174 -3.484 9.547 1.00 31.51 C ATOM 210 O PHE A 28 -10.766 -4.610 9.274 1.00 30.51 O ATOM 211 CB PHE A 28 -11.774 -1.510 8.051 1.00 1.43 C ATOM 212 CG PHE A 28 -10.508 -1.544 7.263 1.00 64.24 C ATOM 213 CD1 PHE A 28 -10.521 -1.680 5.883 1.00 34.24 C ATOM 214 CD2 PHE A 28 -9.304 -1.362 7.901 1.00 23.11 C ATOM 215 CE1 PHE A 28 -9.349 -1.632 5.165 1.00 70.01 C ATOM 216 CE2 PHE A 28 -8.136 -1.330 7.192 1.00 53.04 C ATOM 217 CZ PHE A 28 -8.158 -1.462 5.815 1.00 11.14 C ATOM 0 H PHE A 28 -13.554 -1.433 9.590 1.00 63.25 H new ATOM 0 HA PHE A 28 -12.558 -3.525 7.944 1.00 43.25 H new ATOM 0 HB2 PHE A 28 -12.564 -1.153 7.391 1.00 1.43 H new ATOM 0 HB3 PHE A 28 -11.654 -0.764 8.837 1.00 1.43 H new ATOM 0 HD1 PHE A 28 -11.459 -1.825 5.368 1.00 34.24 H new ATOM 0 HD2 PHE A 28 -9.281 -1.243 8.974 1.00 23.11 H new ATOM 0 HE1 PHE A 28 -9.369 -1.728 4.090 1.00 70.01 H new ATOM 0 HE2 PHE A 28 -7.195 -1.202 7.707 1.00 53.04 H new ATOM 0 HZ PHE A 28 -7.236 -1.431 5.254 1.00 11.14 H new ATOM 227 N ILE A 29 -10.737 -2.815 10.586 1.00 20.20 N ATOM 228 CA ILE A 29 -9.706 -3.347 11.454 1.00 4.42 C ATOM 229 C ILE A 29 -10.196 -4.591 12.193 1.00 10.31 C ATOM 230 O ILE A 29 -9.432 -5.525 12.422 1.00 14.25 O ATOM 231 CB ILE A 29 -9.144 -2.254 12.410 1.00 4.25 C ATOM 232 CG1 ILE A 29 -8.215 -1.291 11.645 1.00 14.05 C ATOM 233 CG2 ILE A 29 -8.450 -2.823 13.651 1.00 25.34 C ATOM 234 CD1 ILE A 29 -7.046 -1.973 10.943 1.00 25.40 C ATOM 0 H ILE A 29 -11.081 -1.893 10.855 1.00 20.20 H new ATOM 0 HA ILE A 29 -8.869 -3.665 10.832 1.00 4.42 H new ATOM 0 HB ILE A 29 -10.005 -1.698 12.782 1.00 4.25 H new ATOM 0 HG12 ILE A 29 -8.803 -0.750 10.904 1.00 14.05 H new ATOM 0 HG13 ILE A 29 -7.823 -0.551 12.343 1.00 14.05 H new ATOM 0 HG21 ILE A 29 -8.084 -2.004 14.271 1.00 25.34 H new ATOM 0 HG22 ILE A 29 -9.160 -3.421 14.223 1.00 25.34 H new ATOM 0 HG23 ILE A 29 -7.612 -3.449 13.344 1.00 25.34 H new ATOM 0 HD11 ILE A 29 -6.443 -1.224 10.429 1.00 25.40 H new ATOM 0 HD12 ILE A 29 -6.432 -2.491 11.679 1.00 25.40 H new ATOM 0 HD13 ILE A 29 -7.427 -2.692 10.218 1.00 25.40 H new ATOM 246 N ASP A 30 -11.468 -4.613 12.504 1.00 70.12 N ATOM 247 CA ASP A 30 -12.105 -5.762 13.129 1.00 51.11 C ATOM 248 C ASP A 30 -12.023 -6.972 12.233 1.00 12.24 C ATOM 249 O ASP A 30 -11.563 -8.026 12.663 1.00 74.04 O ATOM 250 CB ASP A 30 -13.561 -5.458 13.490 1.00 24.21 C ATOM 251 CG ASP A 30 -14.334 -6.665 13.936 1.00 31.30 C ATOM 252 OD1 ASP A 30 -15.233 -7.118 13.188 1.00 23.25 O ATOM 253 OD2 ASP A 30 -14.074 -7.189 15.033 1.00 24.24 O ATOM 0 H ASP A 30 -12.101 -3.832 12.332 1.00 70.12 H new ATOM 0 HA ASP A 30 -11.567 -5.980 14.052 1.00 51.11 H new ATOM 0 HB2 ASP A 30 -13.582 -4.710 14.283 1.00 24.21 H new ATOM 0 HB3 ASP A 30 -14.057 -5.019 12.625 1.00 24.21 H new ATOM 258 N LEU A 31 -12.388 -6.813 10.974 1.00 53.40 N ATOM 259 CA LEU A 31 -12.365 -7.925 10.055 1.00 12.14 C ATOM 260 C LEU A 31 -10.923 -8.375 9.778 1.00 22.21 C ATOM 261 O LEU A 31 -10.665 -9.555 9.580 1.00 1.31 O ATOM 262 CB LEU A 31 -13.186 -7.614 8.776 1.00 33.52 C ATOM 263 CG LEU A 31 -12.729 -6.445 7.895 1.00 35.34 C ATOM 264 CD1 LEU A 31 -11.558 -6.819 7.023 1.00 74.05 C ATOM 265 CD2 LEU A 31 -13.867 -5.897 7.071 1.00 63.10 C ATOM 0 H LEU A 31 -12.701 -5.930 10.571 1.00 53.40 H new ATOM 0 HA LEU A 31 -12.861 -8.778 10.518 1.00 12.14 H new ATOM 0 HB2 LEU A 31 -13.197 -8.513 8.159 1.00 33.52 H new ATOM 0 HB3 LEU A 31 -14.216 -7.422 9.078 1.00 33.52 H new ATOM 0 HG LEU A 31 -12.393 -5.655 8.567 1.00 35.34 H new ATOM 0 HD11 LEU A 31 -11.268 -5.961 6.416 1.00 74.05 H new ATOM 0 HD12 LEU A 31 -10.719 -7.120 7.650 1.00 74.05 H new ATOM 0 HD13 LEU A 31 -11.839 -7.646 6.371 1.00 74.05 H new ATOM 0 HD21 LEU A 31 -13.508 -5.070 6.459 1.00 63.10 H new ATOM 0 HD22 LEU A 31 -14.260 -6.682 6.425 1.00 63.10 H new ATOM 0 HD23 LEU A 31 -14.657 -5.542 7.733 1.00 63.10 H new ATOM 277 N VAL A 32 -9.987 -7.419 9.822 1.00 51.20 N ATOM 278 CA VAL A 32 -8.567 -7.710 9.667 1.00 33.22 C ATOM 279 C VAL A 32 -8.027 -8.474 10.904 1.00 4.41 C ATOM 280 O VAL A 32 -7.030 -9.198 10.826 1.00 2.50 O ATOM 281 CB VAL A 32 -7.752 -6.381 9.420 1.00 62.21 C ATOM 282 CG1 VAL A 32 -6.245 -6.607 9.460 1.00 2.43 C ATOM 283 CG2 VAL A 32 -8.122 -5.778 8.072 1.00 32.45 C ATOM 0 H VAL A 32 -10.196 -6.431 9.965 1.00 51.20 H new ATOM 0 HA VAL A 32 -8.439 -8.351 8.795 1.00 33.22 H new ATOM 0 HB VAL A 32 -8.015 -5.698 10.228 1.00 62.21 H new ATOM 0 HG11 VAL A 32 -5.731 -5.662 9.284 1.00 2.43 H new ATOM 0 HG12 VAL A 32 -5.962 -6.998 10.437 1.00 2.43 H new ATOM 0 HG13 VAL A 32 -5.964 -7.322 8.687 1.00 2.43 H new ATOM 0 HG21 VAL A 32 -7.553 -4.862 7.915 1.00 32.45 H new ATOM 0 HG22 VAL A 32 -7.891 -6.490 7.279 1.00 32.45 H new ATOM 0 HG23 VAL A 32 -9.188 -5.550 8.056 1.00 32.45 H new ATOM 293 N THR A 33 -8.716 -8.356 12.028 1.00 0.11 N ATOM 294 CA THR A 33 -8.262 -8.989 13.243 1.00 45.04 C ATOM 295 C THR A 33 -9.173 -10.140 13.641 1.00 60.40 C ATOM 296 O THR A 33 -9.095 -10.658 14.756 1.00 42.34 O ATOM 297 CB THR A 33 -8.136 -7.965 14.389 1.00 42.44 C ATOM 298 OG1 THR A 33 -9.348 -7.200 14.497 1.00 73.11 O ATOM 299 CG2 THR A 33 -6.965 -7.028 14.144 1.00 2.11 C ATOM 0 H THR A 33 -9.585 -7.830 12.118 1.00 0.11 H new ATOM 0 HA THR A 33 -7.272 -9.401 13.049 1.00 45.04 H new ATOM 0 HB THR A 33 -7.963 -8.508 15.318 1.00 42.44 H new ATOM 0 HG1 THR A 33 -9.319 -6.450 13.867 1.00 73.11 H new ATOM 0 HG21 THR A 33 -6.893 -6.313 14.964 1.00 2.11 H new ATOM 0 HG22 THR A 33 -6.043 -7.606 14.085 1.00 2.11 H new ATOM 0 HG23 THR A 33 -7.118 -6.492 13.207 1.00 2.11 H new ATOM 307 N LYS A 34 -10.029 -10.539 12.714 1.00 61.50 N ATOM 308 CA LYS A 34 -10.928 -11.656 12.912 1.00 34.23 C ATOM 309 C LYS A 34 -10.183 -12.961 13.115 1.00 31.53 C ATOM 310 O LYS A 34 -9.119 -13.191 12.524 1.00 32.40 O ATOM 311 CB LYS A 34 -11.934 -11.765 11.765 1.00 41.04 C ATOM 312 CG LYS A 34 -13.248 -11.034 12.015 1.00 25.31 C ATOM 313 CD LYS A 34 -14.081 -11.774 13.061 1.00 55.34 C ATOM 314 CE LYS A 34 -15.412 -11.090 13.341 1.00 60.23 C ATOM 315 NZ LYS A 34 -15.244 -9.779 13.995 1.00 1.32 N ATOM 0 H LYS A 34 -10.117 -10.093 11.801 1.00 61.50 H new ATOM 0 HA LYS A 34 -11.482 -11.461 13.830 1.00 34.23 H new ATOM 0 HB2 LYS A 34 -11.478 -11.369 10.858 1.00 41.04 H new ATOM 0 HB3 LYS A 34 -12.146 -12.818 11.582 1.00 41.04 H new ATOM 0 HG2 LYS A 34 -13.047 -10.018 12.354 1.00 25.31 H new ATOM 0 HG3 LYS A 34 -13.810 -10.954 11.084 1.00 25.31 H new ATOM 0 HD2 LYS A 34 -14.265 -12.793 12.719 1.00 55.34 H new ATOM 0 HD3 LYS A 34 -13.512 -11.847 13.988 1.00 55.34 H new ATOM 0 HE2 LYS A 34 -15.954 -10.959 12.404 1.00 60.23 H new ATOM 0 HE3 LYS A 34 -16.022 -11.734 13.975 1.00 60.23 H new ATOM 0 HZ1 LYS A 34 -15.974 -9.659 14.726 1.00 1.32 H new ATOM 0 HZ2 LYS A 34 -14.303 -9.728 14.435 1.00 1.32 H new ATOM 0 HZ3 LYS A 34 -15.336 -9.023 13.287 1.00 1.32 H new ATOM 329 N SER A 35 -10.737 -13.781 13.957 1.00 20.30 N ATOM 330 CA SER A 35 -10.187 -15.048 14.326 1.00 50.55 C ATOM 331 C SER A 35 -10.175 -16.017 13.123 1.00 25.33 C ATOM 332 O SER A 35 -10.988 -15.872 12.189 1.00 31.33 O ATOM 333 CB SER A 35 -11.042 -15.576 15.468 1.00 23.32 C ATOM 334 OG SER A 35 -11.237 -14.551 16.440 1.00 33.31 O ATOM 0 H SER A 35 -11.620 -13.576 14.424 1.00 20.30 H new ATOM 0 HA SER A 35 -9.149 -14.951 14.642 1.00 50.55 H new ATOM 0 HB2 SER A 35 -12.005 -15.916 15.086 1.00 23.32 H new ATOM 0 HB3 SER A 35 -10.559 -16.438 15.927 1.00 23.32 H new ATOM 0 HG SER A 35 -11.790 -14.896 17.172 1.00 33.31 H new ATOM 340 N PRO A 36 -9.257 -17.029 13.132 1.00 74.31 N ATOM 341 CA PRO A 36 -9.090 -18.019 12.039 1.00 51.33 C ATOM 342 C PRO A 36 -10.346 -18.839 11.773 1.00 4.42 C ATOM 343 O PRO A 36 -10.383 -19.667 10.855 1.00 13.40 O ATOM 344 CB PRO A 36 -7.947 -18.927 12.522 1.00 71.34 C ATOM 345 CG PRO A 36 -7.862 -18.696 13.988 1.00 51.12 C ATOM 346 CD PRO A 36 -8.290 -17.278 14.214 1.00 34.11 C ATOM 0 HA PRO A 36 -8.881 -17.520 11.093 1.00 51.33 H new ATOM 0 HB2 PRO A 36 -8.154 -19.974 12.299 1.00 71.34 H new ATOM 0 HB3 PRO A 36 -7.008 -18.676 12.028 1.00 71.34 H new ATOM 0 HG2 PRO A 36 -8.507 -19.388 14.529 1.00 51.12 H new ATOM 0 HG3 PRO A 36 -6.846 -18.858 14.349 1.00 51.12 H new ATOM 0 HD2 PRO A 36 -8.746 -17.149 15.196 1.00 34.11 H new ATOM 0 HD3 PRO A 36 -7.445 -16.591 14.162 1.00 34.11 H new ATOM 354 N ASP A 37 -11.343 -18.657 12.619 1.00 55.51 N ATOM 355 CA ASP A 37 -12.649 -19.323 12.449 1.00 41.54 C ATOM 356 C ASP A 37 -13.346 -18.809 11.176 1.00 20.54 C ATOM 357 O ASP A 37 -14.094 -19.544 10.516 1.00 65.30 O ATOM 358 CB ASP A 37 -13.548 -19.058 13.668 1.00 54.04 C ATOM 359 CG ASP A 37 -14.889 -19.763 13.593 1.00 53.52 C ATOM 360 OD1 ASP A 37 -15.876 -19.176 13.080 1.00 71.50 O ATOM 361 OD2 ASP A 37 -14.988 -20.919 14.054 1.00 51.45 O ATOM 0 H ASP A 37 -11.286 -18.053 13.439 1.00 55.51 H new ATOM 0 HA ASP A 37 -12.478 -20.396 12.358 1.00 41.54 H new ATOM 0 HB2 ASP A 37 -13.027 -19.379 14.570 1.00 54.04 H new ATOM 0 HB3 ASP A 37 -13.715 -17.985 13.760 1.00 54.04 H new ATOM 366 N SER A 38 -13.040 -17.576 10.794 1.00 50.22 N ATOM 367 CA SER A 38 -13.572 -16.996 9.572 1.00 62.45 C ATOM 368 C SER A 38 -12.878 -17.664 8.375 1.00 4.42 C ATOM 369 O SER A 38 -11.790 -18.226 8.540 1.00 33.03 O ATOM 370 CB SER A 38 -13.313 -15.490 9.574 1.00 15.13 C ATOM 371 OG SER A 38 -13.915 -14.869 10.705 1.00 43.22 O ATOM 0 H SER A 38 -12.422 -16.956 11.318 1.00 50.22 H new ATOM 0 HA SER A 38 -14.647 -17.161 9.503 1.00 62.45 H new ATOM 0 HB2 SER A 38 -12.239 -15.302 9.580 1.00 15.13 H new ATOM 0 HB3 SER A 38 -13.708 -15.048 8.659 1.00 15.13 H new ATOM 0 HG SER A 38 -13.873 -13.895 10.604 1.00 43.22 H new ATOM 377 N VAL A 39 -13.482 -17.619 7.181 1.00 31.41 N ATOM 378 CA VAL A 39 -12.865 -18.286 6.037 1.00 61.31 C ATOM 379 C VAL A 39 -11.524 -17.643 5.699 1.00 31.32 C ATOM 380 O VAL A 39 -10.556 -18.342 5.362 1.00 43.53 O ATOM 381 CB VAL A 39 -13.790 -18.402 4.770 1.00 22.41 C ATOM 382 CG1 VAL A 39 -15.052 -19.178 5.095 1.00 52.32 C ATOM 383 CG2 VAL A 39 -14.143 -17.048 4.163 1.00 11.40 C ATOM 0 H VAL A 39 -14.365 -17.145 6.988 1.00 31.41 H new ATOM 0 HA VAL A 39 -12.697 -19.317 6.350 1.00 61.31 H new ATOM 0 HB VAL A 39 -13.216 -18.945 4.019 1.00 22.41 H new ATOM 0 HG11 VAL A 39 -15.677 -19.246 4.204 1.00 52.32 H new ATOM 0 HG12 VAL A 39 -14.786 -20.181 5.429 1.00 52.32 H new ATOM 0 HG13 VAL A 39 -15.601 -18.666 5.885 1.00 52.32 H new ATOM 0 HG21 VAL A 39 -14.783 -17.195 3.293 1.00 11.40 H new ATOM 0 HG22 VAL A 39 -14.669 -16.444 4.902 1.00 11.40 H new ATOM 0 HG23 VAL A 39 -13.230 -16.536 3.860 1.00 11.40 H new ATOM 393 N ASN A 40 -11.475 -16.319 5.836 1.00 31.32 N ATOM 394 CA ASN A 40 -10.275 -15.511 5.646 1.00 4.11 C ATOM 395 C ASN A 40 -10.583 -14.033 5.856 1.00 63.14 C ATOM 396 O ASN A 40 -11.605 -13.534 5.385 1.00 54.24 O ATOM 397 CB ASN A 40 -9.527 -15.777 4.297 1.00 1.22 C ATOM 398 CG ASN A 40 -10.328 -15.688 3.016 1.00 34.10 C ATOM 399 OD1 ASN A 40 -11.501 -15.978 2.965 1.00 60.32 O ATOM 400 ND2 ASN A 40 -9.680 -15.326 1.960 1.00 45.41 N ATOM 0 H ASN A 40 -12.293 -15.765 6.089 1.00 31.32 H new ATOM 0 HA ASN A 40 -9.569 -15.829 6.413 1.00 4.11 H new ATOM 0 HB2 ASN A 40 -8.702 -15.068 4.226 1.00 1.22 H new ATOM 0 HB3 ASN A 40 -9.088 -16.773 4.349 1.00 1.22 H new ATOM 0 HD21 ASN A 40 -10.157 -15.280 1.060 1.00 45.41 H new ATOM 0 HD22 ASN A 40 -8.691 -15.086 2.026 1.00 45.41 H new ATOM 407 N SER A 41 -9.686 -13.335 6.543 1.00 31.45 N ATOM 408 CA SER A 41 -9.880 -11.939 6.941 1.00 73.43 C ATOM 409 C SER A 41 -9.982 -11.061 5.698 1.00 70.34 C ATOM 410 O SER A 41 -10.811 -10.130 5.603 1.00 14.45 O ATOM 411 CB SER A 41 -8.680 -11.512 7.782 1.00 4.20 C ATOM 412 OG SER A 41 -8.415 -12.473 8.798 1.00 74.40 O ATOM 0 H SER A 41 -8.792 -13.724 6.844 1.00 31.45 H new ATOM 0 HA SER A 41 -10.798 -11.834 7.519 1.00 73.43 H new ATOM 0 HB2 SER A 41 -7.804 -11.398 7.144 1.00 4.20 H new ATOM 0 HB3 SER A 41 -8.874 -10.540 8.235 1.00 4.20 H new ATOM 0 HG SER A 41 -7.642 -12.185 9.327 1.00 74.40 H new ATOM 418 N GLU A 42 -9.193 -11.417 4.723 1.00 41.11 N ATOM 419 CA GLU A 42 -9.138 -10.734 3.479 1.00 11.50 C ATOM 420 C GLU A 42 -10.422 -10.893 2.679 1.00 65.14 C ATOM 421 O GLU A 42 -10.717 -10.080 1.816 1.00 51.42 O ATOM 422 CB GLU A 42 -7.884 -11.100 2.674 1.00 61.22 C ATOM 423 CG GLU A 42 -7.561 -12.589 2.535 1.00 14.13 C ATOM 424 CD GLU A 42 -6.877 -13.172 3.761 1.00 63.20 C ATOM 425 OE1 GLU A 42 -7.573 -13.573 4.704 1.00 42.03 O ATOM 426 OE2 GLU A 42 -5.662 -13.268 3.781 1.00 43.41 O ATOM 0 H GLU A 42 -8.557 -12.212 4.782 1.00 41.11 H new ATOM 0 HA GLU A 42 -9.053 -9.671 3.704 1.00 11.50 H new ATOM 0 HB2 GLU A 42 -7.989 -10.681 1.673 1.00 61.22 H new ATOM 0 HB3 GLU A 42 -7.028 -10.609 3.137 1.00 61.22 H new ATOM 0 HG2 GLU A 42 -8.484 -13.138 2.347 1.00 14.13 H new ATOM 0 HG3 GLU A 42 -6.920 -12.735 1.666 1.00 14.13 H new ATOM 433 N HIS A 43 -11.202 -11.918 2.994 1.00 24.45 N ATOM 434 CA HIS A 43 -12.496 -12.127 2.325 1.00 51.24 C ATOM 435 C HIS A 43 -13.430 -11.019 2.717 1.00 22.11 C ATOM 436 O HIS A 43 -14.057 -10.364 1.862 1.00 12.33 O ATOM 437 CB HIS A 43 -13.122 -13.476 2.715 1.00 1.21 C ATOM 438 CG HIS A 43 -14.451 -13.766 2.072 1.00 14.33 C ATOM 439 ND1 HIS A 43 -15.661 -13.525 2.680 1.00 50.15 N ATOM 440 CD2 HIS A 43 -14.742 -14.272 0.852 1.00 2.14 C ATOM 441 CE1 HIS A 43 -16.628 -13.875 1.839 1.00 22.04 C ATOM 442 NE2 HIS A 43 -16.122 -14.339 0.703 1.00 15.12 N ATOM 0 H HIS A 43 -10.972 -12.617 3.701 1.00 24.45 H new ATOM 0 HA HIS A 43 -12.329 -12.130 1.248 1.00 51.24 H new ATOM 0 HB2 HIS A 43 -12.426 -14.273 2.452 1.00 1.21 H new ATOM 0 HB3 HIS A 43 -13.245 -13.504 3.798 1.00 1.21 H new ATOM 0 HD1 HIS A 43 -15.793 -13.143 3.616 1.00 50.15 H new ATOM 0 HD2 HIS A 43 -14.017 -14.576 0.111 1.00 2.14 H new ATOM 0 HE1 HIS A 43 -17.684 -13.793 2.051 1.00 22.04 H new ATOM 450 N GLU A 44 -13.489 -10.794 4.006 1.00 54.35 N ATOM 451 CA GLU A 44 -14.328 -9.800 4.577 1.00 41.21 C ATOM 452 C GLU A 44 -13.833 -8.436 4.157 1.00 31.22 C ATOM 453 O GLU A 44 -14.623 -7.530 3.939 1.00 63.43 O ATOM 454 CB GLU A 44 -14.298 -9.945 6.081 1.00 43.41 C ATOM 455 CG GLU A 44 -14.538 -11.370 6.556 1.00 31.35 C ATOM 456 CD GLU A 44 -15.892 -11.918 6.169 1.00 63.30 C ATOM 457 OE1 GLU A 44 -15.979 -12.671 5.185 1.00 12.44 O ATOM 458 OE2 GLU A 44 -16.890 -11.618 6.849 1.00 5.33 O ATOM 0 H GLU A 44 -12.940 -11.313 4.691 1.00 54.35 H new ATOM 0 HA GLU A 44 -15.355 -9.917 4.232 1.00 41.21 H new ATOM 0 HB2 GLU A 44 -13.331 -9.604 6.452 1.00 43.41 H new ATOM 0 HB3 GLU A 44 -15.055 -9.293 6.517 1.00 43.41 H new ATOM 0 HG2 GLU A 44 -13.763 -12.016 6.144 1.00 31.35 H new ATOM 0 HG3 GLU A 44 -14.438 -11.404 7.641 1.00 31.35 H new ATOM 465 N LEU A 45 -12.520 -8.306 4.013 1.00 31.45 N ATOM 466 CA LEU A 45 -11.933 -7.076 3.562 1.00 34.53 C ATOM 467 C LEU A 45 -12.323 -6.791 2.120 1.00 71.52 C ATOM 468 O LEU A 45 -12.740 -5.682 1.789 1.00 11.21 O ATOM 469 CB LEU A 45 -10.420 -7.113 3.689 1.00 42.21 C ATOM 470 CG LEU A 45 -9.732 -5.818 3.315 1.00 42.10 C ATOM 471 CD1 LEU A 45 -10.189 -4.707 4.220 1.00 61.03 C ATOM 472 CD2 LEU A 45 -8.224 -5.967 3.324 1.00 22.03 C ATOM 0 H LEU A 45 -11.848 -9.049 4.206 1.00 31.45 H new ATOM 0 HA LEU A 45 -12.314 -6.276 4.197 1.00 34.53 H new ATOM 0 HB2 LEU A 45 -10.159 -7.366 4.717 1.00 42.21 H new ATOM 0 HB3 LEU A 45 -10.033 -7.912 3.057 1.00 42.21 H new ATOM 0 HG LEU A 45 -10.015 -5.561 2.294 1.00 42.10 H new ATOM 0 HD11 LEU A 45 -9.687 -3.781 3.941 1.00 61.03 H new ATOM 0 HD12 LEU A 45 -11.267 -4.579 4.123 1.00 61.03 H new ATOM 0 HD13 LEU A 45 -9.945 -4.955 5.253 1.00 61.03 H new ATOM 0 HD21 LEU A 45 -7.763 -5.018 3.051 1.00 22.03 H new ATOM 0 HD22 LEU A 45 -7.893 -6.257 4.321 1.00 22.03 H new ATOM 0 HD23 LEU A 45 -7.930 -6.733 2.607 1.00 22.03 H new ATOM 484 N ALA A 46 -12.216 -7.806 1.277 1.00 64.24 N ATOM 485 CA ALA A 46 -12.575 -7.694 -0.127 1.00 23.42 C ATOM 486 C ALA A 46 -14.040 -7.334 -0.271 1.00 60.42 C ATOM 487 O ALA A 46 -14.423 -6.559 -1.148 1.00 45.51 O ATOM 488 CB ALA A 46 -12.276 -8.992 -0.855 1.00 74.45 C ATOM 0 H ALA A 46 -11.878 -8.730 1.547 1.00 64.24 H new ATOM 0 HA ALA A 46 -11.977 -6.900 -0.574 1.00 23.42 H new ATOM 0 HB1 ALA A 46 -12.550 -8.892 -1.905 1.00 74.45 H new ATOM 0 HB2 ALA A 46 -11.212 -9.216 -0.778 1.00 74.45 H new ATOM 0 HB3 ALA A 46 -12.851 -9.802 -0.406 1.00 74.45 H new ATOM 494 N HIS A 47 -14.841 -7.860 0.627 1.00 21.20 N ATOM 495 CA HIS A 47 -16.269 -7.614 0.622 1.00 22.53 C ATOM 496 C HIS A 47 -16.556 -6.209 1.186 1.00 24.53 C ATOM 497 O HIS A 47 -17.520 -5.542 0.784 1.00 22.41 O ATOM 498 CB HIS A 47 -16.995 -8.711 1.437 1.00 72.35 C ATOM 499 CG HIS A 47 -18.496 -8.707 1.307 1.00 22.12 C ATOM 500 ND1 HIS A 47 -19.197 -9.532 0.452 1.00 0.32 N ATOM 501 CD2 HIS A 47 -19.426 -7.968 1.949 1.00 42.40 C ATOM 502 CE1 HIS A 47 -20.493 -9.269 0.596 1.00 22.44 C ATOM 503 NE2 HIS A 47 -20.691 -8.324 1.494 1.00 4.24 N ATOM 0 H HIS A 47 -14.524 -8.470 1.381 1.00 21.20 H new ATOM 0 HA HIS A 47 -16.646 -7.652 -0.400 1.00 22.53 H new ATOM 0 HB2 HIS A 47 -16.620 -9.685 1.123 1.00 72.35 H new ATOM 0 HB3 HIS A 47 -16.735 -8.594 2.489 1.00 72.35 H new ATOM 0 HD2 HIS A 47 -19.220 -7.218 2.698 1.00 42.40 H new ATOM 0 HE1 HIS A 47 -21.281 -9.765 0.048 1.00 22.44 H new ATOM 0 HE2 HIS A 47 -21.585 -7.935 1.793 1.00 4.24 H new ATOM 511 N PHE A 48 -15.692 -5.757 2.087 1.00 14.15 N ATOM 512 CA PHE A 48 -15.805 -4.466 2.709 1.00 73.00 C ATOM 513 C PHE A 48 -15.552 -3.374 1.688 1.00 12.33 C ATOM 514 O PHE A 48 -16.281 -2.389 1.626 1.00 54.14 O ATOM 515 CB PHE A 48 -14.789 -4.375 3.864 1.00 13.33 C ATOM 516 CG PHE A 48 -14.703 -3.046 4.553 1.00 3.31 C ATOM 517 CD1 PHE A 48 -13.839 -2.074 4.088 1.00 25.35 C ATOM 518 CD2 PHE A 48 -15.473 -2.777 5.661 1.00 50.53 C ATOM 519 CE1 PHE A 48 -13.747 -0.853 4.713 1.00 65.14 C ATOM 520 CE2 PHE A 48 -15.391 -1.556 6.296 1.00 70.32 C ATOM 521 CZ PHE A 48 -14.526 -0.594 5.821 1.00 2.12 C ATOM 0 H PHE A 48 -14.885 -6.294 2.403 1.00 14.15 H new ATOM 0 HA PHE A 48 -16.812 -4.334 3.106 1.00 73.00 H new ATOM 0 HB2 PHE A 48 -15.042 -5.132 4.606 1.00 13.33 H new ATOM 0 HB3 PHE A 48 -13.802 -4.626 3.476 1.00 13.33 H new ATOM 0 HD1 PHE A 48 -13.227 -2.276 3.221 1.00 25.35 H new ATOM 0 HD2 PHE A 48 -16.149 -3.530 6.037 1.00 50.53 H new ATOM 0 HE1 PHE A 48 -13.068 -0.101 4.338 1.00 65.14 H new ATOM 0 HE2 PHE A 48 -16.003 -1.354 7.163 1.00 70.32 H new ATOM 0 HZ PHE A 48 -14.458 0.363 6.317 1.00 2.12 H new ATOM 531 N LEU A 49 -14.543 -3.579 0.867 1.00 12.51 N ATOM 532 CA LEU A 49 -14.135 -2.586 -0.105 1.00 32.32 C ATOM 533 C LEU A 49 -14.952 -2.702 -1.397 1.00 72.33 C ATOM 534 O LEU A 49 -14.732 -1.962 -2.339 1.00 71.41 O ATOM 535 CB LEU A 49 -12.621 -2.707 -0.372 1.00 25.33 C ATOM 536 CG LEU A 49 -12.157 -3.930 -1.169 1.00 63.44 C ATOM 537 CD1 LEU A 49 -12.073 -3.617 -2.655 1.00 53.15 C ATOM 538 CD2 LEU A 49 -10.847 -4.464 -0.633 1.00 45.43 C ATOM 0 H LEU A 49 -13.986 -4.433 0.854 1.00 12.51 H new ATOM 0 HA LEU A 49 -14.332 -1.594 0.302 1.00 32.32 H new ATOM 0 HB2 LEU A 49 -12.297 -1.812 -0.903 1.00 25.33 H new ATOM 0 HB3 LEU A 49 -12.106 -2.712 0.589 1.00 25.33 H new ATOM 0 HG LEU A 49 -12.903 -4.715 -1.046 1.00 63.44 H new ATOM 0 HD11 LEU A 49 -11.741 -4.504 -3.195 1.00 53.15 H new ATOM 0 HD12 LEU A 49 -13.055 -3.316 -3.020 1.00 53.15 H new ATOM 0 HD13 LEU A 49 -11.362 -2.806 -2.816 1.00 53.15 H new ATOM 0 HD21 LEU A 49 -10.541 -5.332 -1.217 1.00 45.43 H new ATOM 0 HD22 LEU A 49 -10.082 -3.691 -0.705 1.00 45.43 H new ATOM 0 HD23 LEU A 49 -10.972 -4.755 0.410 1.00 45.43 H new ATOM 550 N GLY A 50 -15.882 -3.646 -1.423 1.00 32.44 N ATOM 551 CA GLY A 50 -16.767 -3.836 -2.578 1.00 22.12 C ATOM 552 C GLY A 50 -17.476 -2.536 -2.994 1.00 43.53 C ATOM 553 O GLY A 50 -17.343 -2.102 -4.137 1.00 74.41 O ATOM 0 H GLY A 50 -16.049 -4.298 -0.657 1.00 32.44 H new ATOM 0 HA2 GLY A 50 -16.186 -4.215 -3.419 1.00 22.12 H new ATOM 0 HA3 GLY A 50 -17.514 -4.593 -2.339 1.00 22.12 H new ATOM 557 N PRO A 51 -18.246 -1.898 -2.082 1.00 51.42 N ATOM 558 CA PRO A 51 -18.887 -0.592 -2.330 1.00 10.35 C ATOM 559 C PRO A 51 -17.888 0.588 -2.230 1.00 24.51 C ATOM 560 O PRO A 51 -18.251 1.757 -2.428 1.00 51.52 O ATOM 561 CB PRO A 51 -19.942 -0.477 -1.206 1.00 72.24 C ATOM 562 CG PRO A 51 -19.988 -1.820 -0.555 1.00 61.41 C ATOM 563 CD PRO A 51 -18.636 -2.423 -0.759 1.00 22.33 C ATOM 0 HA PRO A 51 -19.303 -0.541 -3.336 1.00 10.35 H new ATOM 0 HB2 PRO A 51 -19.667 0.296 -0.489 1.00 72.24 H new ATOM 0 HB3 PRO A 51 -20.917 -0.205 -1.611 1.00 72.24 H new ATOM 0 HG2 PRO A 51 -20.220 -1.731 0.506 1.00 61.41 H new ATOM 0 HG3 PRO A 51 -20.764 -2.443 -1.000 1.00 61.41 H new ATOM 0 HD2 PRO A 51 -17.936 -2.121 0.020 1.00 22.33 H new ATOM 0 HD3 PRO A 51 -18.672 -3.512 -0.750 1.00 22.33 H new ATOM 571 N HIS A 52 -16.655 0.284 -1.863 1.00 40.12 N ATOM 572 CA HIS A 52 -15.655 1.303 -1.586 1.00 3.33 C ATOM 573 C HIS A 52 -14.409 1.061 -2.443 1.00 75.34 C ATOM 574 O HIS A 52 -13.299 1.164 -1.945 1.00 72.13 O ATOM 575 CB HIS A 52 -15.260 1.275 -0.079 1.00 5.21 C ATOM 576 CG HIS A 52 -16.400 1.462 0.901 1.00 65.24 C ATOM 577 ND1 HIS A 52 -16.748 2.665 1.481 1.00 1.44 N ATOM 578 CD2 HIS A 52 -17.258 0.548 1.419 1.00 20.42 C ATOM 579 CE1 HIS A 52 -17.775 2.443 2.309 1.00 62.55 C ATOM 580 NE2 HIS A 52 -18.124 1.174 2.306 1.00 14.11 N ATOM 0 H HIS A 52 -16.319 -0.672 -1.749 1.00 40.12 H new ATOM 0 HA HIS A 52 -16.077 2.278 -1.828 1.00 3.33 H new ATOM 0 HB2 HIS A 52 -14.775 0.322 0.133 1.00 5.21 H new ATOM 0 HB3 HIS A 52 -14.520 2.056 0.099 1.00 5.21 H new ATOM 0 HD1 HIS A 52 -16.301 3.565 1.309 1.00 1.44 H new ATOM 0 HD2 HIS A 52 -17.266 -0.505 1.179 1.00 20.42 H new ATOM 0 HE1 HIS A 52 -18.256 3.206 2.903 1.00 62.55 H new ATOM 588 N ASP A 53 -14.634 0.774 -3.737 1.00 52.22 N ATOM 589 CA ASP A 53 -13.571 0.479 -4.742 1.00 75.45 C ATOM 590 C ASP A 53 -12.512 1.579 -4.839 1.00 52.02 C ATOM 591 O ASP A 53 -12.759 2.663 -5.383 1.00 1.00 O ATOM 592 CB ASP A 53 -14.219 0.265 -6.136 1.00 10.32 C ATOM 593 CG ASP A 53 -13.231 0.234 -7.323 1.00 63.31 C ATOM 594 OD1 ASP A 53 -12.461 -0.719 -7.468 1.00 12.32 O ATOM 595 OD2 ASP A 53 -13.267 1.155 -8.187 1.00 30.54 O ATOM 0 H ASP A 53 -15.574 0.737 -4.132 1.00 52.22 H new ATOM 0 HA ASP A 53 -13.063 -0.425 -4.407 1.00 75.45 H new ATOM 0 HB2 ASP A 53 -14.773 -0.673 -6.121 1.00 10.32 H new ATOM 0 HB3 ASP A 53 -14.944 1.061 -6.308 1.00 10.32 H new ATOM 600 N PRO A 54 -11.323 1.322 -4.280 1.00 33.34 N ATOM 601 CA PRO A 54 -10.219 2.231 -4.337 1.00 11.25 C ATOM 602 C PRO A 54 -9.266 1.835 -5.460 1.00 62.00 C ATOM 603 O PRO A 54 -9.480 0.825 -6.152 1.00 33.43 O ATOM 604 CB PRO A 54 -9.552 2.003 -2.980 1.00 41.53 C ATOM 605 CG PRO A 54 -9.795 0.554 -2.664 1.00 3.14 C ATOM 606 CD PRO A 54 -10.961 0.102 -3.520 1.00 71.34 C ATOM 0 HA PRO A 54 -10.506 3.265 -4.526 1.00 11.25 H new ATOM 0 HB2 PRO A 54 -8.485 2.224 -3.023 1.00 41.53 H new ATOM 0 HB3 PRO A 54 -9.981 2.651 -2.216 1.00 41.53 H new ATOM 0 HG2 PRO A 54 -8.907 -0.041 -2.877 1.00 3.14 H new ATOM 0 HG3 PRO A 54 -10.020 0.423 -1.606 1.00 3.14 H new ATOM 0 HD2 PRO A 54 -10.679 -0.716 -4.183 1.00 71.34 H new ATOM 0 HD3 PRO A 54 -11.792 -0.254 -2.911 1.00 71.34 H new ATOM 614 N GLU A 55 -8.242 2.604 -5.670 1.00 51.41 N ATOM 615 CA GLU A 55 -7.253 2.234 -6.637 1.00 73.34 C ATOM 616 C GLU A 55 -6.343 1.221 -6.003 1.00 50.44 C ATOM 617 O GLU A 55 -5.547 1.555 -5.142 1.00 52.20 O ATOM 618 CB GLU A 55 -6.484 3.442 -7.083 1.00 32.11 C ATOM 619 CG GLU A 55 -7.352 4.470 -7.732 1.00 54.41 C ATOM 620 CD GLU A 55 -6.606 5.725 -8.026 1.00 20.13 C ATOM 621 OE1 GLU A 55 -6.325 6.484 -7.084 1.00 1.33 O ATOM 622 OE2 GLU A 55 -6.292 5.994 -9.204 1.00 51.22 O ATOM 0 H GLU A 55 -8.069 3.486 -5.189 1.00 51.41 H new ATOM 0 HA GLU A 55 -7.725 1.804 -7.520 1.00 73.34 H new ATOM 0 HB2 GLU A 55 -5.982 3.886 -6.223 1.00 32.11 H new ATOM 0 HB3 GLU A 55 -5.706 3.135 -7.782 1.00 32.11 H new ATOM 0 HG2 GLU A 55 -7.762 4.066 -8.658 1.00 54.41 H new ATOM 0 HG3 GLU A 55 -8.197 4.695 -7.081 1.00 54.41 H new ATOM 629 N ILE A 56 -6.501 0.000 -6.387 1.00 14.04 N ATOM 630 CA ILE A 56 -5.772 -1.088 -5.794 1.00 53.53 C ATOM 631 C ILE A 56 -4.525 -1.337 -6.602 1.00 54.01 C ATOM 632 O ILE A 56 -4.586 -1.830 -7.676 1.00 62.42 O ATOM 633 CB ILE A 56 -6.635 -2.373 -5.755 1.00 20.35 C ATOM 634 CG1 ILE A 56 -7.917 -2.122 -4.943 1.00 12.41 C ATOM 635 CG2 ILE A 56 -5.829 -3.503 -5.144 1.00 14.34 C ATOM 636 CD1 ILE A 56 -9.004 -3.164 -5.126 1.00 20.41 C ATOM 0 H ILE A 56 -7.144 -0.282 -7.127 1.00 14.04 H new ATOM 0 HA ILE A 56 -5.509 -0.824 -4.770 1.00 53.53 H new ATOM 0 HB ILE A 56 -6.921 -2.651 -6.769 1.00 20.35 H new ATOM 0 HG12 ILE A 56 -7.656 -2.072 -3.886 1.00 12.41 H new ATOM 0 HG13 ILE A 56 -8.319 -1.147 -5.218 1.00 12.41 H new ATOM 0 HG21 ILE A 56 -6.435 -4.408 -5.116 1.00 14.34 H new ATOM 0 HG22 ILE A 56 -4.938 -3.681 -5.746 1.00 14.34 H new ATOM 0 HG23 ILE A 56 -5.534 -3.232 -4.130 1.00 14.34 H new ATOM 0 HD11 ILE A 56 -9.867 -2.901 -4.514 1.00 20.41 H new ATOM 0 HD12 ILE A 56 -9.300 -3.201 -6.174 1.00 20.41 H new ATOM 0 HD13 ILE A 56 -8.627 -4.140 -4.821 1.00 20.41 H new ATOM 648 N TYR A 57 -3.423 -0.973 -6.099 1.00 42.42 N ATOM 649 CA TYR A 57 -2.201 -1.117 -6.827 1.00 40.15 C ATOM 650 C TYR A 57 -1.516 -2.377 -6.444 1.00 20.21 C ATOM 651 O TYR A 57 -1.041 -2.490 -5.348 1.00 54.35 O ATOM 652 CB TYR A 57 -1.287 0.066 -6.578 1.00 54.21 C ATOM 653 CG TYR A 57 -1.793 1.359 -7.152 1.00 1.34 C ATOM 654 CD1 TYR A 57 -2.552 2.233 -6.394 1.00 53.23 C ATOM 655 CD2 TYR A 57 -1.494 1.713 -8.452 1.00 41.23 C ATOM 656 CE1 TYR A 57 -2.997 3.427 -6.917 1.00 44.53 C ATOM 657 CE2 TYR A 57 -1.943 2.906 -8.986 1.00 53.43 C ATOM 658 CZ TYR A 57 -2.692 3.760 -8.208 1.00 41.41 C ATOM 659 OH TYR A 57 -3.141 4.960 -8.728 1.00 62.30 O ATOM 0 H TYR A 57 -3.322 -0.564 -5.170 1.00 42.42 H new ATOM 0 HA TYR A 57 -2.440 -1.154 -7.890 1.00 40.15 H new ATOM 0 HB2 TYR A 57 -1.150 0.186 -5.503 1.00 54.21 H new ATOM 0 HB3 TYR A 57 -0.307 -0.149 -7.003 1.00 54.21 H new ATOM 0 HD1 TYR A 57 -2.800 1.975 -5.375 1.00 53.23 H new ATOM 0 HD2 TYR A 57 -0.900 1.048 -9.061 1.00 41.23 H new ATOM 0 HE1 TYR A 57 -3.585 4.099 -6.309 1.00 44.53 H new ATOM 0 HE2 TYR A 57 -1.708 3.167 -10.007 1.00 53.43 H new ATOM 0 HH TYR A 57 -2.839 5.048 -9.656 1.00 62.30 H new ATOM 669 N VAL A 58 -1.423 -3.311 -7.339 1.00 42.13 N ATOM 670 CA VAL A 58 -0.772 -4.535 -6.992 1.00 53.43 C ATOM 671 C VAL A 58 0.534 -4.582 -7.702 1.00 54.24 C ATOM 672 O VAL A 58 0.597 -4.428 -8.925 1.00 22.20 O ATOM 673 CB VAL A 58 -1.607 -5.854 -7.242 1.00 64.43 C ATOM 674 CG1 VAL A 58 -1.622 -6.317 -8.689 1.00 52.44 C ATOM 675 CG2 VAL A 58 -1.131 -6.966 -6.331 1.00 45.32 C ATOM 0 H VAL A 58 -1.780 -3.253 -8.293 1.00 42.13 H new ATOM 0 HA VAL A 58 -0.642 -4.523 -5.910 1.00 53.43 H new ATOM 0 HB VAL A 58 -2.640 -5.600 -7.003 1.00 64.43 H new ATOM 0 HG11 VAL A 58 -2.216 -7.227 -8.774 1.00 52.44 H new ATOM 0 HG12 VAL A 58 -2.059 -5.539 -9.315 1.00 52.44 H new ATOM 0 HG13 VAL A 58 -0.602 -6.518 -9.017 1.00 52.44 H new ATOM 0 HG21 VAL A 58 -1.718 -7.866 -6.518 1.00 45.32 H new ATOM 0 HG22 VAL A 58 -0.079 -7.172 -6.527 1.00 45.32 H new ATOM 0 HG23 VAL A 58 -1.254 -6.662 -5.291 1.00 45.32 H new ATOM 685 N ASN A 59 1.582 -4.631 -6.916 1.00 1.43 N ATOM 686 CA ASN A 59 2.959 -4.740 -7.395 1.00 63.41 C ATOM 687 C ASN A 59 3.328 -3.549 -8.296 1.00 13.40 C ATOM 688 O ASN A 59 4.323 -3.571 -9.031 1.00 14.44 O ATOM 689 CB ASN A 59 3.141 -6.082 -8.116 1.00 14.01 C ATOM 690 CG ASN A 59 2.756 -7.269 -7.230 1.00 4.11 C ATOM 691 OD1 ASN A 59 2.937 -7.245 -6.002 1.00 75.45 O ATOM 692 ND2 ASN A 59 2.161 -8.270 -7.823 1.00 3.23 N ATOM 0 H ASN A 59 1.511 -4.596 -5.899 1.00 1.43 H new ATOM 0 HA ASN A 59 3.640 -4.710 -6.545 1.00 63.41 H new ATOM 0 HB2 ASN A 59 2.532 -6.093 -9.020 1.00 14.01 H new ATOM 0 HB3 ASN A 59 4.180 -6.186 -8.430 1.00 14.01 H new ATOM 0 HD21 ASN A 59 1.829 -9.063 -7.275 1.00 3.23 H new ATOM 0 HD22 ASN A 59 2.028 -8.258 -8.834 1.00 3.23 H new ATOM 699 N GLY A 60 2.563 -2.473 -8.151 1.00 25.54 N ATOM 700 CA GLY A 60 2.776 -1.283 -8.925 1.00 20.31 C ATOM 701 C GLY A 60 1.838 -1.140 -10.122 1.00 5.20 C ATOM 702 O GLY A 60 2.033 -0.248 -10.952 1.00 4.02 O ATOM 0 H GLY A 60 1.785 -2.413 -7.494 1.00 25.54 H new ATOM 0 HA2 GLY A 60 2.655 -0.415 -8.277 1.00 20.31 H new ATOM 0 HA3 GLY A 60 3.806 -1.274 -9.281 1.00 20.31 H new ATOM 706 N LYS A 61 0.844 -2.013 -10.234 1.00 20.43 N ATOM 707 CA LYS A 61 -0.158 -1.923 -11.295 1.00 53.52 C ATOM 708 C LYS A 61 -1.534 -1.682 -10.717 1.00 52.13 C ATOM 709 O LYS A 61 -1.936 -2.361 -9.788 1.00 14.43 O ATOM 710 CB LYS A 61 -0.174 -3.172 -12.184 1.00 62.44 C ATOM 711 CG LYS A 61 1.036 -3.355 -13.098 1.00 51.11 C ATOM 712 CD LYS A 61 1.190 -2.203 -14.101 1.00 35.24 C ATOM 713 CE LYS A 61 -0.056 -2.002 -14.978 1.00 41.30 C ATOM 714 NZ LYS A 61 -0.374 -3.166 -15.832 1.00 31.41 N ATOM 0 H LYS A 61 0.708 -2.799 -9.598 1.00 20.43 H new ATOM 0 HA LYS A 61 0.121 -1.075 -11.920 1.00 53.52 H new ATOM 0 HB2 LYS A 61 -0.257 -4.050 -11.543 1.00 62.44 H new ATOM 0 HB3 LYS A 61 -1.071 -3.143 -12.802 1.00 62.44 H new ATOM 0 HG2 LYS A 61 1.939 -3.428 -12.491 1.00 51.11 H new ATOM 0 HG3 LYS A 61 0.939 -4.295 -13.641 1.00 51.11 H new ATOM 0 HD2 LYS A 61 1.398 -1.281 -13.558 1.00 35.24 H new ATOM 0 HD3 LYS A 61 2.051 -2.398 -14.741 1.00 35.24 H new ATOM 0 HE2 LYS A 61 -0.911 -1.789 -14.336 1.00 41.30 H new ATOM 0 HE3 LYS A 61 0.093 -1.128 -15.611 1.00 41.30 H new ATOM 0 HZ1 LYS A 61 -1.224 -2.961 -16.395 1.00 31.41 H new ATOM 0 HZ2 LYS A 61 0.425 -3.358 -16.469 1.00 31.41 H new ATOM 0 HZ3 LYS A 61 -0.548 -3.999 -15.233 1.00 31.41 H new ATOM 728 N ILE A 62 -2.246 -0.737 -11.280 1.00 52.52 N ATOM 729 CA ILE A 62 -3.554 -0.352 -10.785 1.00 41.01 C ATOM 730 C ILE A 62 -4.609 -1.419 -11.173 1.00 40.44 C ATOM 731 O ILE A 62 -4.686 -1.862 -12.325 1.00 73.24 O ATOM 732 CB ILE A 62 -3.939 1.105 -11.285 1.00 43.02 C ATOM 733 CG1 ILE A 62 -4.916 1.829 -10.326 1.00 53.45 C ATOM 734 CG2 ILE A 62 -4.480 1.116 -12.712 1.00 13.22 C ATOM 735 CD1 ILE A 62 -6.299 1.260 -10.220 1.00 53.31 C ATOM 0 H ILE A 62 -1.938 -0.209 -12.097 1.00 52.52 H new ATOM 0 HA ILE A 62 -3.528 -0.308 -9.696 1.00 41.01 H new ATOM 0 HB ILE A 62 -3.003 1.663 -11.284 1.00 43.02 H new ATOM 0 HG12 ILE A 62 -4.473 1.836 -9.330 1.00 53.45 H new ATOM 0 HG13 ILE A 62 -4.999 2.868 -10.645 1.00 53.45 H new ATOM 0 HG21 ILE A 62 -4.726 2.138 -13.000 1.00 13.22 H new ATOM 0 HG22 ILE A 62 -3.725 0.720 -13.391 1.00 13.22 H new ATOM 0 HG23 ILE A 62 -5.376 0.498 -12.766 1.00 13.22 H new ATOM 0 HD11 ILE A 62 -6.884 1.855 -9.519 1.00 53.31 H new ATOM 0 HD12 ILE A 62 -6.777 1.280 -11.200 1.00 53.31 H new ATOM 0 HD13 ILE A 62 -6.243 0.231 -9.864 1.00 53.31 H new ATOM 747 N GLN A 63 -5.320 -1.877 -10.184 1.00 10.04 N ATOM 748 CA GLN A 63 -6.379 -2.847 -10.316 1.00 21.30 C ATOM 749 C GLN A 63 -7.628 -2.269 -9.649 1.00 62.34 C ATOM 750 O GLN A 63 -7.528 -1.451 -8.709 1.00 24.52 O ATOM 751 CB GLN A 63 -6.020 -4.137 -9.548 1.00 13.24 C ATOM 752 CG GLN A 63 -4.596 -4.629 -9.716 1.00 14.22 C ATOM 753 CD GLN A 63 -4.207 -4.960 -11.138 1.00 61.13 C ATOM 754 OE1 GLN A 63 -5.021 -5.387 -11.954 1.00 74.44 O ATOM 755 NE2 GLN A 63 -2.958 -4.757 -11.436 1.00 43.04 N ATOM 0 H GLN A 63 -5.175 -1.575 -9.221 1.00 10.04 H new ATOM 0 HA GLN A 63 -6.534 -3.068 -11.372 1.00 21.30 H new ATOM 0 HB2 GLN A 63 -6.204 -3.969 -8.487 1.00 13.24 H new ATOM 0 HB3 GLN A 63 -6.698 -4.928 -9.867 1.00 13.24 H new ATOM 0 HG2 GLN A 63 -3.915 -3.867 -9.335 1.00 14.22 H new ATOM 0 HG3 GLN A 63 -4.458 -5.517 -9.100 1.00 14.22 H new ATOM 0 HE21 GLN A 63 -2.316 -4.401 -10.728 1.00 43.04 H new ATOM 0 HE22 GLN A 63 -2.620 -4.953 -12.378 1.00 43.04 H new ATOM 764 N THR A 64 -8.769 -2.660 -10.123 1.00 3.30 N ATOM 765 CA THR A 64 -10.015 -2.285 -9.504 1.00 60.22 C ATOM 766 C THR A 64 -10.428 -3.404 -8.516 1.00 30.30 C ATOM 767 O THR A 64 -9.774 -4.468 -8.468 1.00 21.43 O ATOM 768 CB THR A 64 -11.117 -2.075 -10.593 1.00 75.41 C ATOM 769 OG1 THR A 64 -12.344 -1.587 -10.014 1.00 70.13 O ATOM 770 CG2 THR A 64 -11.407 -3.378 -11.331 1.00 12.51 C ATOM 0 H THR A 64 -8.870 -3.248 -10.950 1.00 3.30 H new ATOM 0 HA THR A 64 -9.897 -1.346 -8.964 1.00 60.22 H new ATOM 0 HB THR A 64 -10.733 -1.333 -11.294 1.00 75.41 H new ATOM 0 HG1 THR A 64 -12.141 -1.064 -9.210 1.00 70.13 H new ATOM 0 HG21 THR A 64 -12.177 -3.206 -12.083 1.00 12.51 H new ATOM 0 HG22 THR A 64 -10.497 -3.731 -11.817 1.00 12.51 H new ATOM 0 HG23 THR A 64 -11.754 -4.129 -10.621 1.00 12.51 H new ATOM 778 N THR A 65 -11.492 -3.159 -7.744 1.00 52.40 N ATOM 779 CA THR A 65 -12.055 -4.102 -6.789 1.00 41.24 C ATOM 780 C THR A 65 -12.271 -5.487 -7.420 1.00 22.50 C ATOM 781 O THR A 65 -11.968 -6.498 -6.808 1.00 32.03 O ATOM 782 CB THR A 65 -13.404 -3.546 -6.174 1.00 30.23 C ATOM 783 OG1 THR A 65 -13.951 -4.448 -5.202 1.00 1.33 O ATOM 784 CG2 THR A 65 -14.462 -3.274 -7.246 1.00 23.01 C ATOM 0 H THR A 65 -11.995 -2.272 -7.772 1.00 52.40 H new ATOM 0 HA THR A 65 -11.333 -4.219 -5.981 1.00 41.24 H new ATOM 0 HB THR A 65 -13.145 -2.604 -5.691 1.00 30.23 H new ATOM 0 HG1 THR A 65 -14.927 -4.365 -5.192 1.00 1.33 H new ATOM 0 HG21 THR A 65 -15.368 -2.894 -6.775 1.00 23.01 H new ATOM 0 HG22 THR A 65 -14.083 -2.535 -7.952 1.00 23.01 H new ATOM 0 HG23 THR A 65 -14.689 -4.199 -7.776 1.00 23.01 H new ATOM 792 N THR A 66 -12.720 -5.503 -8.670 1.00 44.12 N ATOM 793 CA THR A 66 -13.011 -6.726 -9.385 1.00 74.20 C ATOM 794 C THR A 66 -11.720 -7.558 -9.619 1.00 21.00 C ATOM 795 O THR A 66 -11.681 -8.755 -9.336 1.00 21.24 O ATOM 796 CB THR A 66 -13.700 -6.386 -10.729 1.00 15.45 C ATOM 797 OG1 THR A 66 -14.832 -5.517 -10.474 1.00 2.45 O ATOM 798 CG2 THR A 66 -14.182 -7.646 -11.435 1.00 15.24 C ATOM 0 H THR A 66 -12.891 -4.657 -9.214 1.00 44.12 H new ATOM 0 HA THR A 66 -13.685 -7.335 -8.783 1.00 74.20 H new ATOM 0 HB THR A 66 -12.975 -5.889 -11.374 1.00 15.45 H new ATOM 0 HG1 THR A 66 -15.272 -5.296 -11.321 1.00 2.45 H new ATOM 0 HG21 THR A 66 -14.662 -7.375 -12.376 1.00 15.24 H new ATOM 0 HG22 THR A 66 -13.332 -8.298 -11.636 1.00 15.24 H new ATOM 0 HG23 THR A 66 -14.898 -8.168 -10.800 1.00 15.24 H new ATOM 806 N ALA A 67 -10.675 -6.901 -10.096 1.00 0.10 N ATOM 807 CA ALA A 67 -9.394 -7.540 -10.352 1.00 13.12 C ATOM 808 C ALA A 67 -8.785 -8.033 -9.048 1.00 34.12 C ATOM 809 O ALA A 67 -8.352 -9.173 -8.960 1.00 13.02 O ATOM 810 CB ALA A 67 -8.462 -6.571 -11.057 1.00 11.10 C ATOM 0 H ALA A 67 -10.691 -5.905 -10.317 1.00 0.10 H new ATOM 0 HA ALA A 67 -9.546 -8.401 -11.002 1.00 13.12 H new ATOM 0 HB1 ALA A 67 -7.505 -7.058 -11.245 1.00 11.10 H new ATOM 0 HB2 ALA A 67 -8.905 -6.264 -12.004 1.00 11.10 H new ATOM 0 HB3 ALA A 67 -8.306 -5.694 -10.429 1.00 11.10 H new ATOM 816 N PHE A 68 -8.780 -7.165 -8.036 1.00 64.41 N ATOM 817 CA PHE A 68 -8.316 -7.517 -6.689 1.00 64.13 C ATOM 818 C PHE A 68 -9.025 -8.753 -6.199 1.00 42.40 C ATOM 819 O PHE A 68 -8.391 -9.724 -5.810 1.00 3.21 O ATOM 820 CB PHE A 68 -8.593 -6.358 -5.733 1.00 73.43 C ATOM 821 CG PHE A 68 -8.409 -6.666 -4.256 1.00 22.23 C ATOM 822 CD1 PHE A 68 -9.490 -7.069 -3.481 1.00 61.23 C ATOM 823 CD2 PHE A 68 -7.176 -6.561 -3.656 1.00 44.31 C ATOM 824 CE1 PHE A 68 -9.333 -7.363 -2.147 1.00 4.44 C ATOM 825 CE2 PHE A 68 -7.018 -6.854 -2.314 1.00 73.25 C ATOM 826 CZ PHE A 68 -8.096 -7.257 -1.561 1.00 74.21 C ATOM 0 H PHE A 68 -9.096 -6.199 -8.124 1.00 64.41 H new ATOM 0 HA PHE A 68 -7.245 -7.714 -6.726 1.00 64.13 H new ATOM 0 HB2 PHE A 68 -7.937 -5.528 -5.997 1.00 73.43 H new ATOM 0 HB3 PHE A 68 -9.617 -6.018 -5.890 1.00 73.43 H new ATOM 0 HD1 PHE A 68 -10.467 -7.152 -3.933 1.00 61.23 H new ATOM 0 HD2 PHE A 68 -6.323 -6.247 -4.239 1.00 44.31 H new ATOM 0 HE1 PHE A 68 -10.183 -7.677 -1.560 1.00 4.44 H new ATOM 0 HE2 PHE A 68 -6.044 -6.766 -1.855 1.00 73.25 H new ATOM 0 HZ PHE A 68 -7.970 -7.489 -0.514 1.00 74.21 H new ATOM 836 N LEU A 69 -10.343 -8.684 -6.214 1.00 53.21 N ATOM 837 CA LEU A 69 -11.224 -9.796 -5.805 1.00 62.44 C ATOM 838 C LEU A 69 -10.838 -11.097 -6.532 1.00 31.32 C ATOM 839 O LEU A 69 -10.786 -12.176 -5.919 1.00 22.14 O ATOM 840 CB LEU A 69 -12.714 -9.389 -6.041 1.00 2.42 C ATOM 841 CG LEU A 69 -13.864 -10.266 -5.470 1.00 61.11 C ATOM 842 CD1 LEU A 69 -13.988 -11.610 -6.162 1.00 33.30 C ATOM 843 CD2 LEU A 69 -13.710 -10.443 -3.974 1.00 52.40 C ATOM 0 H LEU A 69 -10.851 -7.851 -6.511 1.00 53.21 H new ATOM 0 HA LEU A 69 -11.098 -9.995 -4.741 1.00 62.44 H new ATOM 0 HB2 LEU A 69 -12.843 -8.385 -5.637 1.00 2.42 H new ATOM 0 HB3 LEU A 69 -12.864 -9.321 -7.119 1.00 2.42 H new ATOM 0 HG LEU A 69 -14.792 -9.730 -5.671 1.00 61.11 H new ATOM 0 HD11 LEU A 69 -14.808 -12.174 -5.718 1.00 33.30 H new ATOM 0 HD12 LEU A 69 -14.186 -11.456 -7.223 1.00 33.30 H new ATOM 0 HD13 LEU A 69 -13.059 -12.167 -6.044 1.00 33.30 H new ATOM 0 HD21 LEU A 69 -14.525 -11.060 -3.595 1.00 52.40 H new ATOM 0 HD22 LEU A 69 -12.758 -10.929 -3.761 1.00 52.40 H new ATOM 0 HD23 LEU A 69 -13.736 -9.468 -3.488 1.00 52.40 H new ATOM 855 N GLN A 70 -10.550 -10.987 -7.803 1.00 2.32 N ATOM 856 CA GLN A 70 -10.116 -12.106 -8.579 1.00 40.32 C ATOM 857 C GLN A 70 -8.794 -12.669 -8.066 1.00 14.44 C ATOM 858 O GLN A 70 -8.710 -13.853 -7.773 1.00 75.53 O ATOM 859 CB GLN A 70 -10.038 -11.729 -10.039 1.00 24.32 C ATOM 860 CG GLN A 70 -11.391 -11.577 -10.687 1.00 73.23 C ATOM 861 CD GLN A 70 -11.285 -11.157 -12.121 1.00 0.03 C ATOM 862 OE1 GLN A 70 -11.217 -11.992 -13.032 1.00 20.11 O ATOM 863 NE2 GLN A 70 -11.257 -9.880 -12.342 1.00 43.22 N ATOM 0 H GLN A 70 -10.612 -10.113 -8.325 1.00 2.32 H new ATOM 0 HA GLN A 70 -10.853 -12.902 -8.474 1.00 40.32 H new ATOM 0 HB2 GLN A 70 -9.488 -10.793 -10.137 1.00 24.32 H new ATOM 0 HB3 GLN A 70 -9.470 -12.490 -10.574 1.00 24.32 H new ATOM 0 HG2 GLN A 70 -11.930 -12.522 -10.625 1.00 73.23 H new ATOM 0 HG3 GLN A 70 -11.976 -10.840 -10.136 1.00 73.23 H new ATOM 0 HE21 GLN A 70 -11.316 -9.226 -11.562 1.00 43.22 H new ATOM 0 HE22 GLN A 70 -11.176 -9.529 -13.296 1.00 43.22 H new ATOM 872 N PHE A 71 -7.799 -11.809 -7.860 1.00 50.12 N ATOM 873 CA PHE A 71 -6.480 -12.259 -7.397 1.00 31.30 C ATOM 874 C PHE A 71 -6.607 -12.821 -5.987 1.00 20.12 C ATOM 875 O PHE A 71 -5.923 -13.767 -5.603 1.00 71.52 O ATOM 876 CB PHE A 71 -5.466 -11.111 -7.414 1.00 14.32 C ATOM 877 CG PHE A 71 -5.280 -10.459 -8.751 1.00 3.14 C ATOM 878 CD1 PHE A 71 -5.089 -11.220 -9.891 1.00 60.32 C ATOM 879 CD2 PHE A 71 -5.292 -9.081 -8.863 1.00 22.34 C ATOM 880 CE1 PHE A 71 -4.920 -10.617 -11.119 1.00 23.51 C ATOM 881 CE2 PHE A 71 -5.124 -8.473 -10.086 1.00 55.54 C ATOM 882 CZ PHE A 71 -4.939 -9.242 -11.217 1.00 3.10 C ATOM 0 H PHE A 71 -7.876 -10.802 -8.004 1.00 50.12 H new ATOM 0 HA PHE A 71 -6.119 -13.034 -8.073 1.00 31.30 H new ATOM 0 HB2 PHE A 71 -5.783 -10.354 -6.697 1.00 14.32 H new ATOM 0 HB3 PHE A 71 -4.503 -11.490 -7.073 1.00 14.32 H new ATOM 0 HD1 PHE A 71 -5.072 -12.297 -9.818 1.00 60.32 H new ATOM 0 HD2 PHE A 71 -5.435 -8.475 -7.981 1.00 22.34 H new ATOM 0 HE1 PHE A 71 -4.773 -11.220 -12.003 1.00 23.51 H new ATOM 0 HE2 PHE A 71 -5.137 -7.396 -10.161 1.00 55.54 H new ATOM 0 HZ PHE A 71 -4.809 -8.767 -12.178 1.00 3.10 H new ATOM 892 N PHE A 72 -7.501 -12.243 -5.244 1.00 54.42 N ATOM 893 CA PHE A 72 -7.842 -12.681 -3.923 1.00 43.44 C ATOM 894 C PHE A 72 -8.314 -14.134 -3.937 1.00 53.41 C ATOM 895 O PHE A 72 -7.741 -14.981 -3.237 1.00 63.03 O ATOM 896 CB PHE A 72 -8.897 -11.720 -3.325 1.00 2.33 C ATOM 897 CG PHE A 72 -9.790 -12.328 -2.303 1.00 41.41 C ATOM 898 CD1 PHE A 72 -9.372 -12.513 -1.012 1.00 23.03 C ATOM 899 CD2 PHE A 72 -11.066 -12.738 -2.662 1.00 44.14 C ATOM 900 CE1 PHE A 72 -10.202 -13.097 -0.101 1.00 2.15 C ATOM 901 CE2 PHE A 72 -11.899 -13.319 -1.752 1.00 43.22 C ATOM 902 CZ PHE A 72 -11.465 -13.501 -0.471 1.00 25.22 C ATOM 0 H PHE A 72 -8.031 -11.427 -5.550 1.00 54.42 H new ATOM 0 HA PHE A 72 -6.959 -12.653 -3.284 1.00 43.44 H new ATOM 0 HB2 PHE A 72 -8.381 -10.871 -2.877 1.00 2.33 H new ATOM 0 HB3 PHE A 72 -9.511 -11.328 -4.136 1.00 2.33 H new ATOM 0 HD1 PHE A 72 -8.383 -12.196 -0.715 1.00 23.03 H new ATOM 0 HD2 PHE A 72 -11.405 -12.595 -3.678 1.00 44.14 H new ATOM 0 HE1 PHE A 72 -9.867 -13.243 0.915 1.00 2.15 H new ATOM 0 HE2 PHE A 72 -12.891 -13.632 -2.042 1.00 43.22 H new ATOM 0 HZ PHE A 72 -12.116 -13.964 0.256 1.00 25.22 H new ATOM 912 N ARG A 73 -9.293 -14.437 -4.778 1.00 54.23 N ATOM 913 CA ARG A 73 -9.851 -15.771 -4.809 1.00 44.43 C ATOM 914 C ARG A 73 -8.892 -16.741 -5.498 1.00 42.34 C ATOM 915 O ARG A 73 -8.950 -17.956 -5.285 1.00 75.12 O ATOM 916 CB ARG A 73 -11.264 -15.776 -5.415 1.00 33.14 C ATOM 917 CG ARG A 73 -11.349 -15.511 -6.904 1.00 12.31 C ATOM 918 CD ARG A 73 -12.766 -15.133 -7.314 1.00 24.14 C ATOM 919 NE ARG A 73 -13.797 -16.036 -6.755 1.00 21.20 N ATOM 920 CZ ARG A 73 -15.075 -15.670 -6.500 1.00 10.13 C ATOM 921 NH1 ARG A 73 -15.549 -14.519 -6.968 1.00 2.03 N ATOM 922 NH2 ARG A 73 -15.885 -16.489 -5.839 1.00 73.32 N ATOM 0 H ARG A 73 -9.710 -13.782 -5.439 1.00 54.23 H new ATOM 0 HA ARG A 73 -9.968 -16.125 -3.785 1.00 44.43 H new ATOM 0 HB2 ARG A 73 -11.722 -16.744 -5.212 1.00 33.14 H new ATOM 0 HB3 ARG A 73 -11.862 -15.026 -4.898 1.00 33.14 H new ATOM 0 HG2 ARG A 73 -10.663 -14.708 -7.173 1.00 12.31 H new ATOM 0 HG3 ARG A 73 -11.033 -16.398 -7.453 1.00 12.31 H new ATOM 0 HD2 ARG A 73 -12.971 -14.113 -6.989 1.00 24.14 H new ATOM 0 HD3 ARG A 73 -12.837 -15.141 -8.402 1.00 24.14 H new ATOM 0 HE ARG A 73 -13.527 -16.998 -6.548 1.00 21.20 H new ATOM 0 HH11 ARG A 73 -14.949 -13.908 -7.522 1.00 2.03 H new ATOM 0 HH12 ARG A 73 -16.513 -14.247 -6.773 1.00 2.03 H new ATOM 0 HH21 ARG A 73 -15.545 -17.397 -5.522 1.00 73.32 H new ATOM 0 HH22 ARG A 73 -16.847 -16.210 -5.648 1.00 73.32 H new ATOM 936 N GLN A 74 -7.984 -16.191 -6.294 1.00 33.53 N ATOM 937 CA GLN A 74 -6.919 -16.961 -6.916 1.00 61.13 C ATOM 938 C GLN A 74 -5.812 -17.296 -5.899 1.00 63.04 C ATOM 939 O GLN A 74 -4.891 -18.043 -6.205 1.00 21.52 O ATOM 940 CB GLN A 74 -6.320 -16.224 -8.112 1.00 43.04 C ATOM 941 CG GLN A 74 -7.250 -16.058 -9.292 1.00 70.42 C ATOM 942 CD GLN A 74 -6.628 -15.235 -10.399 1.00 5.04 C ATOM 943 OE1 GLN A 74 -6.762 -14.017 -10.439 1.00 12.31 O ATOM 944 NE2 GLN A 74 -5.936 -15.881 -11.290 1.00 1.03 N ATOM 0 H GLN A 74 -7.967 -15.198 -6.526 1.00 33.53 H new ATOM 0 HA GLN A 74 -7.362 -17.891 -7.273 1.00 61.13 H new ATOM 0 HB2 GLN A 74 -5.993 -15.237 -7.785 1.00 43.04 H new ATOM 0 HB3 GLN A 74 -5.431 -16.761 -8.442 1.00 43.04 H new ATOM 0 HG2 GLN A 74 -7.521 -17.040 -9.680 1.00 70.42 H new ATOM 0 HG3 GLN A 74 -8.172 -15.581 -8.961 1.00 70.42 H new ATOM 0 HE21 GLN A 74 -5.844 -16.895 -11.228 1.00 1.03 H new ATOM 0 HE22 GLN A 74 -5.485 -15.374 -12.051 1.00 1.03 H new ATOM 953 N GLY A 75 -5.891 -16.715 -4.699 1.00 33.22 N ATOM 954 CA GLY A 75 -4.969 -17.061 -3.662 1.00 74.13 C ATOM 955 C GLY A 75 -3.782 -16.145 -3.560 1.00 50.05 C ATOM 956 O GLY A 75 -2.843 -16.430 -2.816 1.00 3.35 O ATOM 0 H GLY A 75 -6.584 -16.012 -4.442 1.00 33.22 H new ATOM 0 HA2 GLY A 75 -5.496 -17.061 -2.708 1.00 74.13 H new ATOM 0 HA3 GLY A 75 -4.615 -18.078 -3.831 1.00 74.13 H new ATOM 960 N LEU A 76 -3.821 -15.047 -4.267 1.00 12.13 N ATOM 961 CA LEU A 76 -2.733 -14.078 -4.234 1.00 10.24 C ATOM 962 C LEU A 76 -2.665 -13.401 -2.872 1.00 3.22 C ATOM 963 O LEU A 76 -1.620 -13.392 -2.227 1.00 34.52 O ATOM 964 CB LEU A 76 -2.882 -12.996 -5.342 1.00 62.13 C ATOM 965 CG LEU A 76 -2.560 -13.369 -6.819 1.00 25.31 C ATOM 966 CD1 LEU A 76 -1.102 -13.680 -7.007 1.00 55.23 C ATOM 967 CD2 LEU A 76 -3.388 -14.526 -7.323 1.00 42.43 C ATOM 0 H LEU A 76 -4.595 -14.791 -4.880 1.00 12.13 H new ATOM 0 HA LEU A 76 -1.810 -14.628 -4.419 1.00 10.24 H new ATOM 0 HB2 LEU A 76 -3.910 -12.636 -5.312 1.00 62.13 H new ATOM 0 HB3 LEU A 76 -2.242 -12.157 -5.069 1.00 62.13 H new ATOM 0 HG LEU A 76 -2.818 -12.488 -7.407 1.00 25.31 H new ATOM 0 HD11 LEU A 76 -0.916 -13.936 -8.050 1.00 55.23 H new ATOM 0 HD12 LEU A 76 -0.506 -12.809 -6.735 1.00 55.23 H new ATOM 0 HD13 LEU A 76 -0.825 -14.522 -6.372 1.00 55.23 H new ATOM 0 HD21 LEU A 76 -3.121 -14.741 -8.358 1.00 42.43 H new ATOM 0 HD22 LEU A 76 -3.197 -15.405 -6.708 1.00 42.43 H new ATOM 0 HD23 LEU A 76 -4.446 -14.268 -7.268 1.00 42.43 H new ATOM 979 N PHE A 77 -3.798 -12.899 -2.410 1.00 53.50 N ATOM 980 CA PHE A 77 -3.829 -12.110 -1.178 1.00 20.44 C ATOM 981 C PHE A 77 -4.277 -12.918 0.028 1.00 71.15 C ATOM 982 O PHE A 77 -4.476 -12.362 1.077 1.00 73.44 O ATOM 983 CB PHE A 77 -4.762 -10.908 -1.329 1.00 3.33 C ATOM 984 CG PHE A 77 -4.494 -10.066 -2.534 1.00 25.11 C ATOM 985 CD1 PHE A 77 -5.468 -9.908 -3.490 1.00 53.10 C ATOM 986 CD2 PHE A 77 -3.273 -9.443 -2.716 1.00 62.40 C ATOM 987 CE1 PHE A 77 -5.244 -9.146 -4.606 1.00 53.02 C ATOM 988 CE2 PHE A 77 -3.041 -8.676 -3.836 1.00 42.52 C ATOM 989 CZ PHE A 77 -4.036 -8.529 -4.785 1.00 64.33 C ATOM 0 H PHE A 77 -4.705 -13.019 -2.861 1.00 53.50 H new ATOM 0 HA PHE A 77 -2.804 -11.780 -1.008 1.00 20.44 H new ATOM 0 HB2 PHE A 77 -5.791 -11.265 -1.372 1.00 3.33 H new ATOM 0 HB3 PHE A 77 -4.678 -10.284 -0.439 1.00 3.33 H new ATOM 0 HD1 PHE A 77 -6.425 -10.392 -3.360 1.00 53.10 H new ATOM 0 HD2 PHE A 77 -2.496 -9.559 -1.975 1.00 62.40 H new ATOM 0 HE1 PHE A 77 -6.022 -9.032 -5.346 1.00 53.02 H new ATOM 0 HE2 PHE A 77 -2.086 -8.191 -3.973 1.00 42.52 H new ATOM 0 HZ PHE A 77 -3.860 -7.929 -5.665 1.00 64.33 H new ATOM 999 N LYS A 78 -4.383 -14.227 -0.104 1.00 52.22 N ATOM 1000 CA LYS A 78 -4.884 -15.052 1.004 1.00 65.24 C ATOM 1001 C LYS A 78 -3.917 -15.167 2.191 1.00 21.22 C ATOM 1002 O LYS A 78 -4.252 -15.745 3.223 1.00 11.24 O ATOM 1003 CB LYS A 78 -5.501 -16.392 0.587 1.00 61.04 C ATOM 1004 CG LYS A 78 -4.597 -17.368 -0.116 1.00 42.33 C ATOM 1005 CD LYS A 78 -5.331 -18.683 -0.306 1.00 74.35 C ATOM 1006 CE LYS A 78 -4.451 -19.745 -0.916 1.00 20.11 C ATOM 1007 NZ LYS A 78 -5.187 -21.012 -1.099 1.00 4.22 N ATOM 0 H LYS A 78 -4.136 -14.744 -0.948 1.00 52.22 H new ATOM 0 HA LYS A 78 -5.729 -14.476 1.380 1.00 65.24 H new ATOM 0 HB2 LYS A 78 -5.895 -16.877 1.480 1.00 61.04 H new ATOM 0 HB3 LYS A 78 -6.350 -16.186 -0.064 1.00 61.04 H new ATOM 0 HG2 LYS A 78 -4.290 -16.967 -1.082 1.00 42.33 H new ATOM 0 HG3 LYS A 78 -3.689 -17.526 0.467 1.00 42.33 H new ATOM 0 HD2 LYS A 78 -5.703 -19.032 0.657 1.00 74.35 H new ATOM 0 HD3 LYS A 78 -6.200 -18.523 -0.944 1.00 74.35 H new ATOM 0 HE2 LYS A 78 -4.074 -19.399 -1.878 1.00 20.11 H new ATOM 0 HE3 LYS A 78 -3.585 -19.914 -0.276 1.00 20.11 H new ATOM 0 HZ1 LYS A 78 -4.555 -21.723 -1.520 1.00 4.22 H new ATOM 0 HZ2 LYS A 78 -5.526 -21.353 -0.177 1.00 4.22 H new ATOM 0 HZ3 LYS A 78 -5.999 -20.854 -1.729 1.00 4.22 H new ATOM 1021 N LYS A 79 -2.700 -14.712 1.994 1.00 71.24 N ATOM 1022 CA LYS A 79 -1.696 -14.690 3.056 1.00 43.34 C ATOM 1023 C LYS A 79 -1.867 -13.431 3.936 1.00 15.31 C ATOM 1024 O LYS A 79 -1.252 -13.322 5.009 1.00 24.13 O ATOM 1025 CB LYS A 79 -0.283 -14.654 2.470 1.00 21.10 C ATOM 1026 CG LYS A 79 0.057 -15.749 1.459 1.00 41.45 C ATOM 1027 CD LYS A 79 1.518 -15.626 0.993 1.00 70.42 C ATOM 1028 CE LYS A 79 1.802 -14.256 0.374 1.00 75.35 C ATOM 1029 NZ LYS A 79 3.228 -14.066 0.007 1.00 40.42 N ATOM 0 H LYS A 79 -2.371 -14.346 1.101 1.00 71.24 H new ATOM 0 HA LYS A 79 -1.834 -15.594 3.649 1.00 43.34 H new ATOM 0 HB2 LYS A 79 -0.136 -13.687 1.990 1.00 21.10 H new ATOM 0 HB3 LYS A 79 0.430 -14.713 3.292 1.00 21.10 H new ATOM 0 HG2 LYS A 79 -0.105 -16.729 1.909 1.00 41.45 H new ATOM 0 HG3 LYS A 79 -0.611 -15.678 0.600 1.00 41.45 H new ATOM 0 HD2 LYS A 79 2.185 -15.788 1.840 1.00 70.42 H new ATOM 0 HD3 LYS A 79 1.734 -16.407 0.264 1.00 70.42 H new ATOM 0 HE2 LYS A 79 1.185 -14.131 -0.516 1.00 75.35 H new ATOM 0 HE3 LYS A 79 1.508 -13.478 1.078 1.00 75.35 H new ATOM 0 HZ1 LYS A 79 3.360 -13.114 -0.391 1.00 40.42 H new ATOM 0 HZ2 LYS A 79 3.822 -14.173 0.854 1.00 40.42 H new ATOM 0 HZ3 LYS A 79 3.502 -14.778 -0.700 1.00 40.42 H new ATOM 1043 N LEU A 80 -2.704 -12.497 3.487 1.00 24.03 N ATOM 1044 CA LEU A 80 -2.844 -11.180 4.116 1.00 42.23 C ATOM 1045 C LEU A 80 -3.445 -11.261 5.523 1.00 2.41 C ATOM 1046 O LEU A 80 -3.337 -10.324 6.300 1.00 2.52 O ATOM 1047 CB LEU A 80 -3.677 -10.243 3.220 1.00 22.30 C ATOM 1048 CG LEU A 80 -3.811 -8.779 3.668 1.00 30.24 C ATOM 1049 CD1 LEU A 80 -2.453 -8.080 3.678 1.00 55.31 C ATOM 1050 CD2 LEU A 80 -4.788 -8.038 2.771 1.00 60.11 C ATOM 0 H LEU A 80 -3.307 -12.630 2.675 1.00 24.03 H new ATOM 0 HA LEU A 80 -1.841 -10.769 4.226 1.00 42.23 H new ATOM 0 HB2 LEU A 80 -3.239 -10.252 2.222 1.00 22.30 H new ATOM 0 HB3 LEU A 80 -4.679 -10.662 3.132 1.00 22.30 H new ATOM 0 HG LEU A 80 -4.199 -8.771 4.687 1.00 30.24 H new ATOM 0 HD11 LEU A 80 -2.578 -7.046 3.999 1.00 55.31 H new ATOM 0 HD12 LEU A 80 -1.784 -8.595 4.367 1.00 55.31 H new ATOM 0 HD13 LEU A 80 -2.026 -8.100 2.675 1.00 55.31 H new ATOM 0 HD21 LEU A 80 -4.872 -7.003 3.101 1.00 60.11 H new ATOM 0 HD22 LEU A 80 -4.428 -8.063 1.742 1.00 60.11 H new ATOM 0 HD23 LEU A 80 -5.766 -8.516 2.825 1.00 60.11 H new ATOM 1062 N LYS A 81 -4.047 -12.387 5.865 1.00 34.01 N ATOM 1063 CA LYS A 81 -4.634 -12.563 7.202 1.00 41.31 C ATOM 1064 C LYS A 81 -3.562 -12.557 8.313 1.00 13.15 C ATOM 1065 O LYS A 81 -3.883 -12.485 9.497 1.00 61.42 O ATOM 1066 CB LYS A 81 -5.531 -13.828 7.298 1.00 51.30 C ATOM 1067 CG LYS A 81 -4.830 -15.186 7.483 1.00 51.14 C ATOM 1068 CD LYS A 81 -3.845 -15.534 6.376 1.00 51.15 C ATOM 1069 CE LYS A 81 -3.401 -16.987 6.480 1.00 35.01 C ATOM 1070 NZ LYS A 81 -2.771 -17.283 7.779 1.00 30.10 N ATOM 0 H LYS A 81 -4.147 -13.193 5.248 1.00 34.01 H new ATOM 0 HA LYS A 81 -5.279 -11.699 7.362 1.00 41.31 H new ATOM 0 HB2 LYS A 81 -6.220 -13.689 8.131 1.00 51.30 H new ATOM 0 HB3 LYS A 81 -6.134 -13.882 6.392 1.00 51.30 H new ATOM 0 HG2 LYS A 81 -4.302 -15.183 8.437 1.00 51.14 H new ATOM 0 HG3 LYS A 81 -5.587 -15.968 7.540 1.00 51.14 H new ATOM 0 HD2 LYS A 81 -4.307 -15.360 5.404 1.00 51.15 H new ATOM 0 HD3 LYS A 81 -2.976 -14.879 6.438 1.00 51.15 H new ATOM 0 HE2 LYS A 81 -4.262 -17.640 6.338 1.00 35.01 H new ATOM 0 HE3 LYS A 81 -2.697 -17.209 5.678 1.00 35.01 H new ATOM 0 HZ1 LYS A 81 -2.469 -18.278 7.800 1.00 30.10 H new ATOM 0 HZ2 LYS A 81 -1.944 -16.667 7.912 1.00 30.10 H new ATOM 0 HZ3 LYS A 81 -3.455 -17.113 8.543 1.00 30.10 H new ATOM 1084 N ASP A 82 -2.297 -12.630 7.921 1.00 70.33 N ATOM 1085 CA ASP A 82 -1.172 -12.593 8.864 1.00 73.32 C ATOM 1086 C ASP A 82 -0.556 -11.221 8.924 1.00 41.31 C ATOM 1087 O ASP A 82 0.544 -11.053 9.435 1.00 15.23 O ATOM 1088 CB ASP A 82 -0.087 -13.610 8.510 1.00 55.22 C ATOM 1089 CG ASP A 82 -0.514 -15.014 8.752 1.00 12.30 C ATOM 1090 OD1 ASP A 82 -0.775 -15.372 9.914 1.00 64.21 O ATOM 1091 OD2 ASP A 82 -0.589 -15.804 7.793 1.00 70.42 O ATOM 0 H ASP A 82 -2.016 -12.716 6.944 1.00 70.33 H new ATOM 0 HA ASP A 82 -1.585 -12.852 9.839 1.00 73.32 H new ATOM 0 HB2 ASP A 82 0.186 -13.493 7.461 1.00 55.22 H new ATOM 0 HB3 ASP A 82 0.807 -13.400 9.097 1.00 55.22 H new ATOM 1096 N ALA A 83 -1.259 -10.253 8.388 1.00 61.04 N ATOM 1097 CA ALA A 83 -0.803 -8.878 8.346 1.00 65.02 C ATOM 1098 C ALA A 83 -0.526 -8.302 9.724 1.00 44.22 C ATOM 1099 O ALA A 83 -1.355 -8.394 10.644 1.00 21.45 O ATOM 1100 CB ALA A 83 -1.820 -8.015 7.650 1.00 13.44 C ATOM 0 H ALA A 83 -2.175 -10.396 7.963 1.00 61.04 H new ATOM 0 HA ALA A 83 0.137 -8.883 7.795 1.00 65.02 H new ATOM 0 HB1 ALA A 83 -1.466 -6.984 7.625 1.00 13.44 H new ATOM 0 HB2 ALA A 83 -1.965 -8.374 6.631 1.00 13.44 H new ATOM 0 HB3 ALA A 83 -2.766 -8.061 8.189 1.00 13.44 H new ATOM 1106 N GLU A 84 0.634 -7.736 9.855 1.00 60.31 N ATOM 1107 CA GLU A 84 1.028 -7.023 11.034 1.00 43.32 C ATOM 1108 C GLU A 84 0.860 -5.557 10.724 1.00 0.04 C ATOM 1109 O GLU A 84 1.372 -5.080 9.706 1.00 44.14 O ATOM 1110 CB GLU A 84 2.497 -7.280 11.389 1.00 44.22 C ATOM 1111 CG GLU A 84 2.886 -8.736 11.565 1.00 72.05 C ATOM 1112 CD GLU A 84 4.272 -8.870 12.139 1.00 70.14 C ATOM 1113 OE1 GLU A 84 4.413 -8.786 13.376 1.00 5.20 O ATOM 1114 OE2 GLU A 84 5.256 -9.050 11.370 1.00 71.21 O ATOM 0 H GLU A 84 1.351 -7.757 9.129 1.00 60.31 H new ATOM 0 HA GLU A 84 0.421 -7.349 11.879 1.00 43.32 H new ATOM 0 HB2 GLU A 84 3.122 -6.848 10.607 1.00 44.22 H new ATOM 0 HB3 GLU A 84 2.727 -6.747 12.312 1.00 44.22 H new ATOM 0 HG2 GLU A 84 2.169 -9.229 12.222 1.00 72.05 H new ATOM 0 HG3 GLU A 84 2.838 -9.246 10.603 1.00 72.05 H new ATOM 1121 N PHE A 85 0.146 -4.848 11.553 1.00 62.42 N ATOM 1122 CA PHE A 85 -0.091 -3.450 11.310 1.00 75.15 C ATOM 1123 C PHE A 85 1.083 -2.624 11.781 1.00 1.41 C ATOM 1124 O PHE A 85 1.512 -2.740 12.936 1.00 1.44 O ATOM 1125 CB PHE A 85 -1.394 -2.989 11.991 1.00 23.24 C ATOM 1126 CG PHE A 85 -1.690 -1.518 11.829 1.00 61.41 C ATOM 1127 CD1 PHE A 85 -1.637 -0.664 12.919 1.00 21.11 C ATOM 1128 CD2 PHE A 85 -2.007 -0.993 10.588 1.00 35.13 C ATOM 1129 CE1 PHE A 85 -1.896 0.682 12.775 1.00 22.21 C ATOM 1130 CE2 PHE A 85 -2.266 0.351 10.438 1.00 33.22 C ATOM 1131 CZ PHE A 85 -2.211 1.191 11.533 1.00 13.24 C ATOM 0 H PHE A 85 -0.283 -5.214 12.403 1.00 62.42 H new ATOM 0 HA PHE A 85 -0.203 -3.303 10.236 1.00 75.15 H new ATOM 0 HB2 PHE A 85 -2.226 -3.563 11.583 1.00 23.24 H new ATOM 0 HB3 PHE A 85 -1.337 -3.222 13.054 1.00 23.24 H new ATOM 0 HD1 PHE A 85 -1.390 -1.058 13.894 1.00 21.11 H new ATOM 0 HD2 PHE A 85 -2.052 -1.645 9.728 1.00 35.13 H new ATOM 0 HE1 PHE A 85 -1.852 1.336 13.633 1.00 22.21 H new ATOM 0 HE2 PHE A 85 -2.512 0.748 9.464 1.00 33.22 H new ATOM 0 HZ PHE A 85 -2.414 2.245 11.416 1.00 13.24 H new ATOM 1300 N GLU A 97 -7.586 14.422 7.168 1.00 70.35 N ATOM 1301 CA GLU A 97 -6.277 13.809 7.037 1.00 62.21 C ATOM 1302 C GLU A 97 -6.318 12.635 6.074 1.00 52.41 C ATOM 1303 O GLU A 97 -7.401 12.115 5.741 1.00 73.32 O ATOM 1304 CB GLU A 97 -5.778 13.312 8.401 1.00 15.15 C ATOM 1305 CG GLU A 97 -5.498 14.403 9.418 1.00 73.45 C ATOM 1306 CD GLU A 97 -4.367 15.306 8.999 1.00 42.12 C ATOM 1307 OE1 GLU A 97 -3.206 14.922 9.165 1.00 63.05 O ATOM 1308 OE2 GLU A 97 -4.626 16.415 8.518 1.00 64.30 O ATOM 0 HA GLU A 97 -5.597 14.568 6.649 1.00 62.21 H new ATOM 0 HB2 GLU A 97 -6.521 12.631 8.816 1.00 15.15 H new ATOM 0 HB3 GLU A 97 -4.866 12.735 8.249 1.00 15.15 H new ATOM 0 HG2 GLU A 97 -6.399 14.999 9.564 1.00 73.45 H new ATOM 0 HG3 GLU A 97 -5.258 13.947 10.378 1.00 73.45 H new ATOM 1315 N GLY A 98 -5.155 12.238 5.636 1.00 40.23 N ATOM 1316 CA GLY A 98 -5.004 11.079 4.825 1.00 63.33 C ATOM 1317 C GLY A 98 -4.259 10.038 5.610 1.00 14.52 C ATOM 1318 O GLY A 98 -3.298 10.363 6.327 1.00 71.21 O ATOM 0 H GLY A 98 -4.280 12.721 5.839 1.00 40.23 H new ATOM 0 HA2 GLY A 98 -5.980 10.699 4.523 1.00 63.33 H new ATOM 0 HA3 GLY A 98 -4.461 11.324 3.912 1.00 63.33 H new ATOM 1322 N TYR A 99 -4.677 8.818 5.516 1.00 74.52 N ATOM 1323 CA TYR A 99 -4.081 7.771 6.292 1.00 43.43 C ATOM 1324 C TYR A 99 -3.356 6.822 5.395 1.00 1.00 C ATOM 1325 O TYR A 99 -3.769 6.603 4.242 1.00 63.33 O ATOM 1326 CB TYR A 99 -5.140 6.985 7.069 1.00 62.10 C ATOM 1327 CG TYR A 99 -6.121 7.844 7.819 1.00 50.33 C ATOM 1328 CD1 TYR A 99 -7.475 7.726 7.576 1.00 11.32 C ATOM 1329 CD2 TYR A 99 -5.695 8.786 8.742 1.00 64.34 C ATOM 1330 CE1 TYR A 99 -8.387 8.512 8.223 1.00 12.23 C ATOM 1331 CE2 TYR A 99 -6.599 9.582 9.406 1.00 64.33 C ATOM 1332 CZ TYR A 99 -7.947 9.448 9.149 1.00 2.31 C ATOM 1333 OH TYR A 99 -8.848 10.258 9.804 1.00 1.32 O ATOM 0 H TYR A 99 -5.436 8.516 4.905 1.00 74.52 H new ATOM 0 HA TYR A 99 -3.390 8.235 6.996 1.00 43.43 H new ATOM 0 HB2 TYR A 99 -5.688 6.351 6.373 1.00 62.10 H new ATOM 0 HB3 TYR A 99 -4.639 6.324 7.776 1.00 62.10 H new ATOM 0 HD1 TYR A 99 -7.821 6.996 6.859 1.00 11.32 H new ATOM 0 HD2 TYR A 99 -4.640 8.896 8.942 1.00 64.34 H new ATOM 0 HE1 TYR A 99 -9.442 8.406 8.015 1.00 12.23 H new ATOM 0 HE2 TYR A 99 -6.254 10.309 10.126 1.00 64.33 H new ATOM 0 HH TYR A 99 -8.368 10.853 10.417 1.00 1.32 H new ATOM 1343 N LYS A 100 -2.287 6.292 5.898 1.00 64.22 N ATOM 1344 CA LYS A 100 -1.563 5.257 5.251 1.00 10.14 C ATOM 1345 C LYS A 100 -1.461 4.137 6.203 1.00 24.34 C ATOM 1346 O LYS A 100 -0.613 4.122 7.096 1.00 45.42 O ATOM 1347 CB LYS A 100 -0.160 5.665 4.804 1.00 44.52 C ATOM 1348 CG LYS A 100 -0.100 6.579 3.597 1.00 32.12 C ATOM 1349 CD LYS A 100 1.339 6.730 3.086 1.00 54.10 C ATOM 1350 CE LYS A 100 1.948 5.366 2.729 1.00 23.21 C ATOM 1351 NZ LYS A 100 3.295 5.464 2.138 1.00 14.41 N ATOM 0 H LYS A 100 -1.888 6.577 6.792 1.00 64.22 H new ATOM 0 HA LYS A 100 -2.100 4.991 4.340 1.00 10.14 H new ATOM 0 HB2 LYS A 100 0.339 6.160 5.638 1.00 44.52 H new ATOM 0 HB3 LYS A 100 0.409 4.762 4.583 1.00 44.52 H new ATOM 0 HG2 LYS A 100 -0.731 6.179 2.803 1.00 32.12 H new ATOM 0 HG3 LYS A 100 -0.500 7.558 3.859 1.00 32.12 H new ATOM 0 HD2 LYS A 100 1.350 7.377 2.209 1.00 54.10 H new ATOM 0 HD3 LYS A 100 1.949 7.215 3.848 1.00 54.10 H new ATOM 0 HE2 LYS A 100 1.997 4.752 3.628 1.00 23.21 H new ATOM 0 HE3 LYS A 100 1.288 4.854 2.029 1.00 23.21 H new ATOM 0 HZ1 LYS A 100 3.642 4.512 1.905 1.00 14.41 H new ATOM 0 HZ2 LYS A 100 3.253 6.039 1.272 1.00 14.41 H new ATOM 0 HZ3 LYS A 100 3.941 5.910 2.819 1.00 14.41 H new ATOM 1365 N LEU A 101 -2.315 3.226 6.045 1.00 24.31 N ATOM 1366 CA LEU A 101 -2.365 2.113 6.901 1.00 54.51 C ATOM 1367 C LEU A 101 -1.611 1.028 6.222 1.00 3.05 C ATOM 1368 O LEU A 101 -2.026 0.542 5.184 1.00 1.13 O ATOM 1369 CB LEU A 101 -3.823 1.763 7.152 1.00 73.41 C ATOM 1370 CG LEU A 101 -4.657 2.927 7.717 1.00 22.43 C ATOM 1371 CD1 LEU A 101 -6.114 2.573 7.789 1.00 11.03 C ATOM 1372 CD2 LEU A 101 -4.150 3.358 9.090 1.00 71.34 C ATOM 0 H LEU A 101 -3.017 3.223 5.305 1.00 24.31 H new ATOM 0 HA LEU A 101 -1.915 2.295 7.877 1.00 54.51 H new ATOM 0 HB2 LEU A 101 -4.272 1.428 6.217 1.00 73.41 H new ATOM 0 HB3 LEU A 101 -3.870 0.924 7.847 1.00 73.41 H new ATOM 0 HG LEU A 101 -4.543 3.766 7.030 1.00 22.43 H new ATOM 0 HD11 LEU A 101 -6.674 3.417 8.192 1.00 11.03 H new ATOM 0 HD12 LEU A 101 -6.481 2.338 6.790 1.00 11.03 H new ATOM 0 HD13 LEU A 101 -6.246 1.707 8.437 1.00 11.03 H new ATOM 0 HD21 LEU A 101 -4.760 4.182 9.461 1.00 71.34 H new ATOM 0 HD22 LEU A 101 -4.215 2.518 9.782 1.00 71.34 H new ATOM 0 HD23 LEU A 101 -3.113 3.683 9.009 1.00 71.34 H new ATOM 1384 N VAL A 102 -0.462 0.733 6.732 1.00 2.44 N ATOM 1385 CA VAL A 102 0.387 -0.209 6.097 1.00 62.23 C ATOM 1386 C VAL A 102 0.613 -1.442 6.947 1.00 73.34 C ATOM 1387 O VAL A 102 0.813 -1.368 8.170 1.00 22.31 O ATOM 1388 CB VAL A 102 1.724 0.436 5.603 1.00 3.00 C ATOM 1389 CG1 VAL A 102 2.493 1.083 6.738 1.00 45.15 C ATOM 1390 CG2 VAL A 102 2.593 -0.576 4.844 1.00 52.05 C ATOM 0 H VAL A 102 -0.091 1.136 7.593 1.00 2.44 H new ATOM 0 HA VAL A 102 -0.136 -0.548 5.203 1.00 62.23 H new ATOM 0 HB VAL A 102 1.455 1.228 4.903 1.00 3.00 H new ATOM 0 HG11 VAL A 102 3.414 1.519 6.351 1.00 45.15 H new ATOM 0 HG12 VAL A 102 1.884 1.865 7.191 1.00 45.15 H new ATOM 0 HG13 VAL A 102 2.734 0.331 7.489 1.00 45.15 H new ATOM 0 HG21 VAL A 102 3.513 -0.092 4.516 1.00 52.05 H new ATOM 0 HG22 VAL A 102 2.836 -1.411 5.501 1.00 52.05 H new ATOM 0 HG23 VAL A 102 2.048 -0.944 3.975 1.00 52.05 H new ATOM 1400 N TRP A 103 0.522 -2.558 6.300 1.00 41.24 N ATOM 1401 CA TRP A 103 0.719 -3.828 6.904 1.00 20.42 C ATOM 1402 C TRP A 103 1.861 -4.530 6.251 1.00 1.53 C ATOM 1403 O TRP A 103 2.210 -4.247 5.095 1.00 55.32 O ATOM 1404 CB TRP A 103 -0.515 -4.709 6.759 1.00 11.11 C ATOM 1405 CG TRP A 103 -1.719 -4.207 7.464 1.00 13.24 C ATOM 1406 CD1 TRP A 103 -2.119 -4.520 8.724 1.00 24.12 C ATOM 1407 CD2 TRP A 103 -2.689 -3.309 6.944 1.00 62.11 C ATOM 1408 NE1 TRP A 103 -3.274 -3.858 9.026 1.00 71.14 N ATOM 1409 CE2 TRP A 103 -3.645 -3.106 7.948 1.00 72.03 C ATOM 1410 CE3 TRP A 103 -2.836 -2.653 5.724 1.00 42.52 C ATOM 1411 CZ2 TRP A 103 -4.729 -2.272 7.773 1.00 42.41 C ATOM 1412 CZ3 TRP A 103 -3.915 -1.827 5.553 1.00 10.52 C ATOM 1413 CH2 TRP A 103 -4.846 -1.642 6.568 1.00 72.34 C ATOM 0 H TRP A 103 0.301 -2.608 5.305 1.00 41.24 H new ATOM 0 HA TRP A 103 0.921 -3.657 7.961 1.00 20.42 H new ATOM 0 HB2 TRP A 103 -0.748 -4.814 5.699 1.00 11.11 H new ATOM 0 HB3 TRP A 103 -0.280 -5.705 7.134 1.00 11.11 H new ATOM 0 HD1 TRP A 103 -1.599 -5.194 9.389 1.00 24.12 H new ATOM 0 HE1 TRP A 103 -3.777 -3.916 9.911 1.00 71.14 H new ATOM 0 HE3 TRP A 103 -2.116 -2.792 4.931 1.00 42.52 H new ATOM 0 HZ2 TRP A 103 -5.456 -2.123 8.558 1.00 42.41 H new ATOM 0 HZ3 TRP A 103 -4.045 -1.311 4.613 1.00 10.52 H new ATOM 0 HH2 TRP A 103 -5.684 -0.982 6.399 1.00 72.34 H new ATOM 1424 N LYS A 104 2.439 -5.413 6.988 1.00 34.22 N ATOM 1425 CA LYS A 104 3.471 -6.283 6.525 1.00 52.24 C ATOM 1426 C LYS A 104 3.013 -7.664 6.934 1.00 12.00 C ATOM 1427 O LYS A 104 2.676 -7.862 8.092 1.00 32.12 O ATOM 1428 CB LYS A 104 4.798 -5.940 7.222 1.00 12.14 C ATOM 1429 CG LYS A 104 5.231 -4.484 7.075 1.00 64.32 C ATOM 1430 CD LYS A 104 6.462 -4.187 7.911 1.00 73.13 C ATOM 1431 CE LYS A 104 6.820 -2.709 7.881 1.00 44.13 C ATOM 1432 NZ LYS A 104 7.282 -2.248 6.555 1.00 35.10 N ATOM 0 H LYS A 104 2.199 -5.557 7.969 1.00 34.22 H new ATOM 0 HA LYS A 104 3.638 -6.200 5.451 1.00 52.24 H new ATOM 0 HB2 LYS A 104 4.708 -6.174 8.283 1.00 12.14 H new ATOM 0 HB3 LYS A 104 5.582 -6.582 6.820 1.00 12.14 H new ATOM 0 HG2 LYS A 104 5.440 -4.269 6.027 1.00 64.32 H new ATOM 0 HG3 LYS A 104 4.416 -3.828 7.379 1.00 64.32 H new ATOM 0 HD2 LYS A 104 6.286 -4.498 8.941 1.00 73.13 H new ATOM 0 HD3 LYS A 104 7.303 -4.773 7.541 1.00 73.13 H new ATOM 0 HE2 LYS A 104 5.949 -2.125 8.178 1.00 44.13 H new ATOM 0 HE3 LYS A 104 7.600 -2.516 8.618 1.00 44.13 H new ATOM 0 HZ1 LYS A 104 7.462 -1.224 6.587 1.00 35.10 H new ATOM 0 HZ2 LYS A 104 8.159 -2.746 6.301 1.00 35.10 H new ATOM 0 HZ3 LYS A 104 6.551 -2.449 5.843 1.00 35.10 H new ATOM 1446 N SER A 105 2.926 -8.581 6.017 1.00 32.33 N ATOM 1447 CA SER A 105 2.454 -9.918 6.339 1.00 31.02 C ATOM 1448 C SER A 105 3.542 -10.714 7.070 1.00 23.42 C ATOM 1449 O SER A 105 4.577 -10.144 7.472 1.00 65.33 O ATOM 1450 CB SER A 105 2.040 -10.622 5.060 1.00 3.42 C ATOM 1451 OG SER A 105 3.139 -10.717 4.189 1.00 30.25 O ATOM 0 H SER A 105 3.173 -8.440 5.037 1.00 32.33 H new ATOM 0 HA SER A 105 1.593 -9.846 7.004 1.00 31.02 H new ATOM 0 HB2 SER A 105 1.660 -11.617 5.289 1.00 3.42 H new ATOM 0 HB3 SER A 105 1.230 -10.074 4.579 1.00 3.42 H new ATOM 0 HG SER A 105 2.960 -11.400 3.509 1.00 30.25 H new ATOM 1640 N TRP A 117 8.358 -10.644 2.761 1.00 63.03 N ATOM 1641 CA TRP A 117 7.092 -10.369 3.381 1.00 52.10 C ATOM 1642 C TRP A 117 6.210 -9.728 2.317 1.00 64.03 C ATOM 1643 O TRP A 117 6.656 -9.535 1.220 1.00 65.31 O ATOM 1644 CB TRP A 117 7.298 -9.427 4.603 1.00 54.34 C ATOM 1645 CG TRP A 117 8.012 -8.138 4.271 1.00 51.23 C ATOM 1646 CD1 TRP A 117 7.466 -7.065 3.674 1.00 40.10 C ATOM 1647 CD2 TRP A 117 9.390 -7.790 4.529 1.00 50.14 C ATOM 1648 NE1 TRP A 117 8.397 -6.074 3.515 1.00 34.15 N ATOM 1649 CE2 TRP A 117 9.582 -6.488 4.029 1.00 20.04 C ATOM 1650 CE3 TRP A 117 10.474 -8.442 5.120 1.00 25.34 C ATOM 1651 CZ2 TRP A 117 10.805 -5.830 4.099 1.00 5.32 C ATOM 1652 CZ3 TRP A 117 11.690 -7.772 5.189 1.00 53.54 C ATOM 1653 CH2 TRP A 117 11.839 -6.485 4.680 1.00 32.13 C ATOM 0 HA TRP A 117 6.619 -11.277 3.756 1.00 52.10 H new ATOM 0 HB2 TRP A 117 6.325 -9.191 5.035 1.00 54.34 H new ATOM 0 HB3 TRP A 117 7.865 -9.958 5.367 1.00 54.34 H new ATOM 0 HD1 TRP A 117 6.434 -6.994 3.362 1.00 40.10 H new ATOM 0 HE1 TRP A 117 8.227 -5.168 3.079 1.00 34.15 H new ATOM 0 HE3 TRP A 117 10.370 -9.442 5.514 1.00 25.34 H new ATOM 0 HZ2 TRP A 117 10.926 -4.832 3.704 1.00 5.32 H new ATOM 0 HZ3 TRP A 117 12.537 -8.260 5.647 1.00 53.54 H new ATOM 0 HH2 TRP A 117 12.800 -5.998 4.750 1.00 32.13 H new ATOM 1664 N ASP A 118 4.978 -9.478 2.590 1.00 25.41 N ATOM 1665 CA ASP A 118 4.155 -8.759 1.626 1.00 33.40 C ATOM 1666 C ASP A 118 3.770 -7.480 2.277 1.00 74.20 C ATOM 1667 O ASP A 118 3.510 -7.462 3.488 1.00 23.43 O ATOM 1668 CB ASP A 118 2.871 -9.519 1.251 1.00 70.33 C ATOM 1669 CG ASP A 118 3.105 -10.980 0.940 1.00 45.42 C ATOM 1670 OD1 ASP A 118 3.448 -11.324 -0.205 1.00 11.42 O ATOM 1671 OD2 ASP A 118 2.954 -11.828 1.857 1.00 21.05 O ATOM 0 H ASP A 118 4.505 -9.747 3.453 1.00 25.41 H new ATOM 0 HA ASP A 118 4.724 -8.623 0.706 1.00 33.40 H new ATOM 0 HB2 ASP A 118 2.158 -9.440 2.072 1.00 70.33 H new ATOM 0 HB3 ASP A 118 2.414 -9.040 0.385 1.00 70.33 H new ATOM 1676 N GLU A 119 3.745 -6.425 1.538 1.00 60.12 N ATOM 1677 CA GLU A 119 3.351 -5.137 2.122 1.00 22.53 C ATOM 1678 C GLU A 119 2.077 -4.602 1.532 1.00 42.04 C ATOM 1679 O GLU A 119 1.768 -4.831 0.359 1.00 65.03 O ATOM 1680 CB GLU A 119 4.471 -4.075 2.141 1.00 40.25 C ATOM 1681 CG GLU A 119 5.576 -4.415 3.111 1.00 35.31 C ATOM 1682 CD GLU A 119 6.625 -3.342 3.296 1.00 12.13 C ATOM 1683 OE1 GLU A 119 7.736 -3.462 2.708 1.00 42.34 O ATOM 1684 OE2 GLU A 119 6.402 -2.407 4.080 1.00 1.12 O ATOM 0 H GLU A 119 3.983 -6.400 0.546 1.00 60.12 H new ATOM 0 HA GLU A 119 3.154 -5.362 3.170 1.00 22.53 H new ATOM 0 HB2 GLU A 119 4.889 -3.976 1.139 1.00 40.25 H new ATOM 0 HB3 GLU A 119 4.045 -3.107 2.406 1.00 40.25 H new ATOM 0 HG2 GLU A 119 5.131 -4.636 4.081 1.00 35.31 H new ATOM 0 HG3 GLU A 119 6.068 -5.326 2.771 1.00 35.31 H new ATOM 1691 N ALA A 120 1.331 -3.919 2.352 1.00 35.35 N ATOM 1692 CA ALA A 120 0.057 -3.383 1.966 1.00 5.52 C ATOM 1693 C ALA A 120 -0.119 -1.996 2.536 1.00 42.12 C ATOM 1694 O ALA A 120 -0.139 -1.838 3.731 1.00 2.12 O ATOM 1695 CB ALA A 120 -1.037 -4.286 2.493 1.00 63.41 C ATOM 0 H ALA A 120 1.592 -3.716 3.317 1.00 35.35 H new ATOM 0 HA ALA A 120 0.004 -3.327 0.879 1.00 5.52 H new ATOM 0 HB1 ALA A 120 -2.009 -3.886 2.204 1.00 63.41 H new ATOM 0 HB2 ALA A 120 -0.917 -5.285 2.075 1.00 63.41 H new ATOM 0 HB3 ALA A 120 -0.974 -4.338 3.580 1.00 63.41 H new ATOM 1701 N GLU A 121 -0.255 -1.011 1.686 1.00 42.51 N ATOM 1702 CA GLU A 121 -0.448 0.360 2.132 1.00 45.14 C ATOM 1703 C GLU A 121 -1.821 0.827 1.688 1.00 4.10 C ATOM 1704 O GLU A 121 -2.041 1.039 0.515 1.00 21.34 O ATOM 1705 CB GLU A 121 0.585 1.329 1.503 1.00 43.43 C ATOM 1706 CG GLU A 121 2.051 0.982 1.684 1.00 40.20 C ATOM 1707 CD GLU A 121 2.964 2.071 1.141 1.00 72.02 C ATOM 1708 OE1 GLU A 121 3.004 2.280 -0.084 1.00 15.43 O ATOM 1709 OE2 GLU A 121 3.652 2.753 1.944 1.00 52.31 O ATOM 0 H GLU A 121 -0.237 -1.126 0.673 1.00 42.51 H new ATOM 0 HA GLU A 121 -0.334 0.370 3.216 1.00 45.14 H new ATOM 0 HB2 GLU A 121 0.381 1.395 0.434 1.00 43.43 H new ATOM 0 HB3 GLU A 121 0.417 2.322 1.921 1.00 43.43 H new ATOM 0 HG2 GLU A 121 2.259 0.828 2.743 1.00 40.20 H new ATOM 0 HG3 GLU A 121 2.267 0.042 1.177 1.00 40.20 H new ATOM 1716 N ALA A 122 -2.717 0.992 2.595 1.00 4.52 N ATOM 1717 CA ALA A 122 -4.013 1.510 2.276 1.00 74.32 C ATOM 1718 C ALA A 122 -4.029 3.008 2.501 1.00 52.41 C ATOM 1719 O ALA A 122 -3.719 3.489 3.598 1.00 55.41 O ATOM 1720 CB ALA A 122 -5.086 0.829 3.109 1.00 42.55 C ATOM 0 H ALA A 122 -2.579 0.774 3.582 1.00 4.52 H new ATOM 0 HA ALA A 122 -4.228 1.306 1.227 1.00 74.32 H new ATOM 0 HB1 ALA A 122 -6.062 1.238 2.850 1.00 42.55 H new ATOM 0 HB2 ALA A 122 -5.077 -0.242 2.909 1.00 42.55 H new ATOM 0 HB3 ALA A 122 -4.889 1.002 4.167 1.00 42.55 H new ATOM 1726 N TYR A 123 -4.361 3.728 1.468 1.00 13.34 N ATOM 1727 CA TYR A 123 -4.407 5.165 1.488 1.00 54.32 C ATOM 1728 C TYR A 123 -5.852 5.577 1.574 1.00 11.23 C ATOM 1729 O TYR A 123 -6.633 5.342 0.648 1.00 50.14 O ATOM 1730 CB TYR A 123 -3.824 5.749 0.197 1.00 51.23 C ATOM 1731 CG TYR A 123 -2.483 5.196 -0.198 1.00 63.43 C ATOM 1732 CD1 TYR A 123 -1.316 5.784 0.228 1.00 12.22 C ATOM 1733 CD2 TYR A 123 -2.395 4.083 -1.018 1.00 40.32 C ATOM 1734 CE1 TYR A 123 -0.093 5.282 -0.153 1.00 23.50 C ATOM 1735 CE2 TYR A 123 -1.189 3.573 -1.396 1.00 75.33 C ATOM 1736 CZ TYR A 123 -0.038 4.173 -0.963 1.00 55.13 C ATOM 1737 OH TYR A 123 1.177 3.678 -1.370 1.00 63.32 O ATOM 0 H TYR A 123 -4.614 3.324 0.566 1.00 13.34 H new ATOM 0 HA TYR A 123 -3.827 5.530 2.335 1.00 54.32 H new ATOM 0 HB2 TYR A 123 -4.528 5.571 -0.616 1.00 51.23 H new ATOM 0 HB3 TYR A 123 -3.736 6.829 0.311 1.00 51.23 H new ATOM 0 HD1 TYR A 123 -1.360 6.651 0.870 1.00 12.22 H new ATOM 0 HD2 TYR A 123 -3.301 3.609 -1.365 1.00 40.32 H new ATOM 0 HE1 TYR A 123 0.818 5.756 0.182 1.00 23.50 H new ATOM 0 HE2 TYR A 123 -1.142 2.702 -2.033 1.00 75.33 H new ATOM 0 HH TYR A 123 1.594 3.188 -0.631 1.00 63.32 H new ATOM 1747 N ILE A 124 -6.218 6.134 2.661 1.00 40.44 N ATOM 1748 CA ILE A 124 -7.577 6.592 2.861 1.00 51.51 C ATOM 1749 C ILE A 124 -7.509 8.081 3.046 1.00 43.45 C ATOM 1750 O ILE A 124 -6.478 8.585 3.498 1.00 21.20 O ATOM 1751 CB ILE A 124 -8.185 5.965 4.160 1.00 45.23 C ATOM 1752 CG1 ILE A 124 -8.145 4.439 4.123 1.00 53.02 C ATOM 1753 CG2 ILE A 124 -9.606 6.456 4.434 1.00 10.33 C ATOM 1754 CD1 ILE A 124 -8.774 3.805 5.347 1.00 60.23 C ATOM 0 H ILE A 124 -5.598 6.296 3.454 1.00 40.44 H new ATOM 0 HA ILE A 124 -8.197 6.306 2.012 1.00 51.51 H new ATOM 0 HB ILE A 124 -7.556 6.304 4.983 1.00 45.23 H new ATOM 0 HG12 ILE A 124 -8.664 4.088 3.231 1.00 53.02 H new ATOM 0 HG13 ILE A 124 -7.109 4.109 4.040 1.00 53.02 H new ATOM 0 HG21 ILE A 124 -9.982 5.992 5.346 1.00 10.33 H new ATOM 0 HG22 ILE A 124 -9.600 7.539 4.555 1.00 10.33 H new ATOM 0 HG23 ILE A 124 -10.251 6.188 3.597 1.00 10.33 H new ATOM 0 HD11 ILE A 124 -8.716 2.720 5.265 1.00 60.23 H new ATOM 0 HD12 ILE A 124 -8.240 4.130 6.240 1.00 60.23 H new ATOM 0 HD13 ILE A 124 -9.818 4.109 5.418 1.00 60.23 H new ATOM 1766 N TRP A 125 -8.536 8.789 2.678 1.00 73.23 N ATOM 1767 CA TRP A 125 -8.577 10.172 2.984 1.00 41.52 C ATOM 1768 C TRP A 125 -9.954 10.502 3.482 1.00 1.04 C ATOM 1769 O TRP A 125 -10.978 9.874 3.055 1.00 71.12 O ATOM 1770 CB TRP A 125 -8.101 11.081 1.809 1.00 63.43 C ATOM 1771 CG TRP A 125 -9.138 11.566 0.820 1.00 2.41 C ATOM 1772 CD1 TRP A 125 -9.457 12.873 0.582 1.00 1.24 C ATOM 1773 CD2 TRP A 125 -9.977 10.794 -0.051 1.00 13.20 C ATOM 1774 NE1 TRP A 125 -10.415 12.957 -0.385 1.00 30.14 N ATOM 1775 CE2 TRP A 125 -10.756 11.704 -0.788 1.00 60.24 C ATOM 1776 CE3 TRP A 125 -10.142 9.438 -0.282 1.00 52.13 C ATOM 1777 CZ2 TRP A 125 -11.679 11.298 -1.736 1.00 62.11 C ATOM 1778 CZ3 TRP A 125 -11.062 9.031 -1.220 1.00 44.12 C ATOM 1779 CH2 TRP A 125 -11.822 9.964 -1.939 1.00 1.04 C ATOM 0 H TRP A 125 -9.344 8.429 2.171 1.00 73.23 H new ATOM 0 HA TRP A 125 -7.856 10.386 3.772 1.00 41.52 H new ATOM 0 HB2 TRP A 125 -7.616 11.957 2.240 1.00 63.43 H new ATOM 0 HB3 TRP A 125 -7.339 10.536 1.253 1.00 63.43 H new ATOM 0 HD1 TRP A 125 -9.014 13.718 1.087 1.00 1.24 H new ATOM 0 HE1 TRP A 125 -10.813 13.823 -0.748 1.00 30.14 H new ATOM 0 HE3 TRP A 125 -9.558 8.713 0.265 1.00 52.13 H new ATOM 0 HZ2 TRP A 125 -12.263 12.016 -2.293 1.00 62.11 H new ATOM 0 HZ3 TRP A 125 -11.201 7.976 -1.405 1.00 44.12 H new ATOM 0 HH2 TRP A 125 -12.536 9.614 -2.670 1.00 1.04 H new ATOM 1790 N ARG A 126 -10.010 11.372 4.429 1.00 62.32 N ATOM 1791 CA ARG A 126 -11.257 11.763 4.946 1.00 72.01 C ATOM 1792 C ARG A 126 -11.697 12.962 4.157 1.00 41.45 C ATOM 1793 O ARG A 126 -11.197 14.070 4.356 1.00 13.45 O ATOM 1794 CB ARG A 126 -11.168 12.034 6.442 1.00 22.43 C ATOM 1795 CG ARG A 126 -12.479 11.797 7.131 1.00 45.12 C ATOM 1796 CD ARG A 126 -12.353 11.789 8.638 1.00 22.02 C ATOM 1797 NE ARG A 126 -12.346 13.113 9.247 1.00 44.21 N ATOM 1798 CZ ARG A 126 -12.366 13.311 10.572 1.00 62.42 C ATOM 1799 NH1 ARG A 126 -12.045 12.319 11.409 1.00 25.54 N ATOM 1800 NH2 ARG A 126 -12.644 14.514 11.054 1.00 13.13 N ATOM 0 H ARG A 126 -9.201 11.822 4.856 1.00 62.32 H new ATOM 0 HA ARG A 126 -11.998 10.970 4.845 1.00 72.01 H new ATOM 0 HB2 ARG A 126 -10.405 11.392 6.883 1.00 22.43 H new ATOM 0 HB3 ARG A 126 -10.852 13.064 6.606 1.00 22.43 H new ATOM 0 HG2 ARG A 126 -13.186 12.571 6.834 1.00 45.12 H new ATOM 0 HG3 ARG A 126 -12.892 10.844 6.800 1.00 45.12 H new ATOM 0 HD2 ARG A 126 -13.179 11.214 9.057 1.00 22.02 H new ATOM 0 HD3 ARG A 126 -11.433 11.272 8.911 1.00 22.02 H new ATOM 0 HE ARG A 126 -12.325 13.929 8.635 1.00 44.21 H new ATOM 0 HH11 ARG A 126 -11.783 11.405 11.040 1.00 25.54 H new ATOM 0 HH12 ARG A 126 -12.062 12.476 12.417 1.00 25.54 H new ATOM 0 HH21 ARG A 126 -12.842 15.285 10.417 1.00 13.13 H new ATOM 0 HH22 ARG A 126 -12.660 14.668 12.062 1.00 13.13 H new ATOM 1814 N ARG A 127 -12.585 12.711 3.226 1.00 11.02 N ATOM 1815 CA ARG A 127 -13.002 13.674 2.255 1.00 15.12 C ATOM 1816 C ARG A 127 -13.781 14.770 2.943 1.00 23.11 C ATOM 1817 O ARG A 127 -14.702 14.499 3.727 1.00 75.22 O ATOM 1818 CB ARG A 127 -13.842 12.952 1.200 1.00 33.53 C ATOM 1819 CG ARG A 127 -14.136 13.712 -0.067 1.00 2.21 C ATOM 1820 CD ARG A 127 -14.903 12.812 -1.023 1.00 23.01 C ATOM 1821 NE ARG A 127 -15.008 13.372 -2.364 1.00 50.12 N ATOM 1822 CZ ARG A 127 -15.067 12.644 -3.493 1.00 13.34 C ATOM 1823 NH1 ARG A 127 -15.193 11.308 -3.431 1.00 33.44 N ATOM 1824 NH2 ARG A 127 -15.030 13.250 -4.682 1.00 44.30 N ATOM 0 H ARG A 127 -13.045 11.806 3.126 1.00 11.02 H new ATOM 0 HA ARG A 127 -12.147 14.138 1.763 1.00 15.12 H new ATOM 0 HB2 ARG A 127 -13.330 12.028 0.931 1.00 33.53 H new ATOM 0 HB3 ARG A 127 -14.791 12.670 1.656 1.00 33.53 H new ATOM 0 HG2 ARG A 127 -14.719 14.605 0.157 1.00 2.21 H new ATOM 0 HG3 ARG A 127 -13.207 14.046 -0.529 1.00 2.21 H new ATOM 0 HD2 ARG A 127 -14.409 11.842 -1.077 1.00 23.01 H new ATOM 0 HD3 ARG A 127 -15.904 12.638 -0.627 1.00 23.01 H new ATOM 0 HE ARG A 127 -15.039 14.388 -2.453 1.00 50.12 H new ATOM 0 HH11 ARG A 127 -15.244 10.842 -2.525 1.00 33.44 H new ATOM 0 HH12 ARG A 127 -15.237 10.760 -4.290 1.00 33.44 H new ATOM 0 HH21 ARG A 127 -14.957 14.266 -4.735 1.00 44.30 H new ATOM 0 HH22 ARG A 127 -15.075 12.697 -5.538 1.00 44.30 H new ATOM 1838 N LYS A 128 -13.440 15.995 2.616 1.00 74.42 N ATOM 1839 CA LYS A 128 -13.990 17.186 3.252 1.00 61.34 C ATOM 1840 C LYS A 128 -15.492 17.342 2.950 1.00 33.21 C ATOM 1841 O LYS A 128 -16.183 18.153 3.553 1.00 1.35 O ATOM 1842 CB LYS A 128 -13.181 18.409 2.797 1.00 64.24 C ATOM 1843 CG LYS A 128 -13.451 19.703 3.542 1.00 22.40 C ATOM 1844 CD LYS A 128 -12.523 20.794 3.041 1.00 14.04 C ATOM 1845 CE LYS A 128 -12.743 22.113 3.758 1.00 61.23 C ATOM 1846 NZ LYS A 128 -12.505 22.012 5.211 1.00 42.11 N ATOM 0 H LYS A 128 -12.759 16.204 1.886 1.00 74.42 H new ATOM 0 HA LYS A 128 -13.907 17.092 4.335 1.00 61.34 H new ATOM 0 HB2 LYS A 128 -12.121 18.174 2.891 1.00 64.24 H new ATOM 0 HB3 LYS A 128 -13.377 18.576 1.738 1.00 64.24 H new ATOM 0 HG2 LYS A 128 -14.489 20.004 3.400 1.00 22.40 H new ATOM 0 HG3 LYS A 128 -13.306 19.553 4.612 1.00 22.40 H new ATOM 0 HD2 LYS A 128 -11.489 20.478 3.176 1.00 14.04 H new ATOM 0 HD3 LYS A 128 -12.676 20.935 1.971 1.00 14.04 H new ATOM 0 HE2 LYS A 128 -12.079 22.868 3.336 1.00 61.23 H new ATOM 0 HE3 LYS A 128 -13.764 22.452 3.583 1.00 61.23 H new ATOM 0 HZ1 LYS A 128 -12.484 22.965 5.626 1.00 42.11 H new ATOM 0 HZ2 LYS A 128 -13.269 21.459 5.650 1.00 42.11 H new ATOM 0 HZ3 LYS A 128 -11.594 21.540 5.382 1.00 42.11 H new ATOM 1860 N ASP A 129 -15.985 16.538 2.020 1.00 41.13 N ATOM 1861 CA ASP A 129 -17.406 16.510 1.673 1.00 53.41 C ATOM 1862 C ASP A 129 -18.218 15.800 2.750 1.00 1.12 C ATOM 1863 O ASP A 129 -19.447 15.790 2.707 1.00 33.54 O ATOM 1864 CB ASP A 129 -17.657 15.824 0.326 1.00 72.24 C ATOM 1865 CG ASP A 129 -17.018 16.529 -0.838 1.00 55.21 C ATOM 1866 OD1 ASP A 129 -17.316 17.709 -1.072 1.00 4.54 O ATOM 1867 OD2 ASP A 129 -16.238 15.889 -1.572 1.00 23.24 O ATOM 0 H ASP A 129 -15.415 15.885 1.482 1.00 41.13 H new ATOM 0 HA ASP A 129 -17.725 17.549 1.598 1.00 53.41 H new ATOM 0 HB2 ASP A 129 -17.280 14.802 0.372 1.00 72.24 H new ATOM 0 HB3 ASP A 129 -18.732 15.760 0.155 1.00 72.24 H new ATOM 1872 N GLY A 130 -17.529 15.196 3.705 1.00 72.51 N ATOM 1873 CA GLY A 130 -18.201 14.552 4.799 1.00 14.13 C ATOM 1874 C GLY A 130 -18.082 13.043 4.790 1.00 40.10 C ATOM 1875 O GLY A 130 -18.431 12.392 5.773 1.00 31.32 O ATOM 0 H GLY A 130 -16.511 15.143 3.736 1.00 72.51 H new ATOM 0 HA2 GLY A 130 -17.795 14.933 5.736 1.00 14.13 H new ATOM 0 HA3 GLY A 130 -19.256 14.823 4.775 1.00 14.13 H new ATOM 1879 N SER A 131 -17.555 12.498 3.728 1.00 41.44 N ATOM 1880 CA SER A 131 -17.432 11.079 3.573 1.00 42.51 C ATOM 1881 C SER A 131 -15.987 10.669 3.804 1.00 70.13 C ATOM 1882 O SER A 131 -15.085 11.361 3.382 1.00 10.31 O ATOM 1883 CB SER A 131 -17.808 10.718 2.139 1.00 64.32 C ATOM 1884 OG SER A 131 -19.042 11.308 1.760 1.00 31.44 O ATOM 0 H SER A 131 -17.196 13.035 2.939 1.00 41.44 H new ATOM 0 HA SER A 131 -18.081 10.571 4.286 1.00 42.51 H new ATOM 0 HB2 SER A 131 -17.022 11.050 1.461 1.00 64.32 H new ATOM 0 HB3 SER A 131 -17.877 9.635 2.042 1.00 64.32 H new ATOM 0 HG SER A 131 -19.254 11.059 0.836 1.00 31.44 H new ATOM 1890 N CYS A 132 -15.762 9.606 4.476 1.00 54.31 N ATOM 1891 CA CYS A 132 -14.431 9.077 4.536 1.00 42.42 C ATOM 1892 C CYS A 132 -14.349 7.964 3.511 1.00 72.41 C ATOM 1893 O CYS A 132 -15.255 7.121 3.440 1.00 11.24 O ATOM 1894 CB CYS A 132 -14.095 8.549 5.916 1.00 74.31 C ATOM 1895 SG CYS A 132 -12.383 8.003 6.066 1.00 21.21 S ATOM 0 H CYS A 132 -16.466 9.079 4.993 1.00 54.31 H new ATOM 0 HA CYS A 132 -13.710 9.866 4.323 1.00 42.42 H new ATOM 0 HB2 CYS A 132 -14.288 9.328 6.654 1.00 74.31 H new ATOM 0 HB3 CYS A 132 -14.758 7.716 6.151 1.00 74.31 H new ATOM 0 HG CYS A 132 -11.730 8.827 6.830 1.00 21.21 H new ATOM 1901 N TRP A 133 -13.313 7.944 2.696 1.00 20.22 N ATOM 1902 CA TRP A 133 -13.271 6.940 1.669 1.00 12.23 C ATOM 1903 C TRP A 133 -11.846 6.501 1.410 1.00 22.53 C ATOM 1904 O TRP A 133 -10.893 7.237 1.704 1.00 70.33 O ATOM 1905 CB TRP A 133 -13.924 7.489 0.391 1.00 14.22 C ATOM 1906 CG TRP A 133 -14.464 6.430 -0.520 1.00 31.44 C ATOM 1907 CD1 TRP A 133 -15.347 5.466 -0.179 1.00 52.12 C ATOM 1908 CD2 TRP A 133 -14.200 6.254 -1.917 1.00 70.34 C ATOM 1909 NE1 TRP A 133 -15.656 4.698 -1.262 1.00 62.22 N ATOM 1910 CE2 TRP A 133 -14.962 5.156 -2.343 1.00 34.23 C ATOM 1911 CE3 TRP A 133 -13.397 6.909 -2.842 1.00 73.44 C ATOM 1912 CZ2 TRP A 133 -14.945 4.704 -3.655 1.00 13.22 C ATOM 1913 CZ3 TRP A 133 -13.378 6.463 -4.142 1.00 43.40 C ATOM 1914 CH2 TRP A 133 -14.148 5.371 -4.539 1.00 32.21 C ATOM 0 H TRP A 133 -12.521 8.587 2.725 1.00 20.22 H new ATOM 0 HA TRP A 133 -13.829 6.063 1.999 1.00 12.23 H new ATOM 0 HB2 TRP A 133 -14.735 8.162 0.670 1.00 14.22 H new ATOM 0 HB3 TRP A 133 -13.190 8.083 -0.154 1.00 14.22 H new ATOM 0 HD1 TRP A 133 -15.751 5.324 0.812 1.00 52.12 H new ATOM 0 HE1 TRP A 133 -16.302 3.908 -1.264 1.00 62.22 H new ATOM 0 HE3 TRP A 133 -12.797 7.756 -2.544 1.00 73.44 H new ATOM 0 HZ2 TRP A 133 -15.540 3.857 -3.964 1.00 13.22 H new ATOM 0 HZ3 TRP A 133 -12.756 6.967 -4.868 1.00 43.40 H new ATOM 0 HH2 TRP A 133 -14.113 5.046 -5.568 1.00 32.21 H new ATOM 1925 N LEU A 134 -11.697 5.300 0.916 1.00 51.22 N ATOM 1926 CA LEU A 134 -10.412 4.781 0.564 1.00 1.03 C ATOM 1927 C LEU A 134 -9.998 5.410 -0.726 1.00 54.02 C ATOM 1928 O LEU A 134 -10.728 5.353 -1.711 1.00 71.52 O ATOM 1929 CB LEU A 134 -10.397 3.249 0.414 1.00 74.31 C ATOM 1930 CG LEU A 134 -10.599 2.396 1.673 1.00 61.25 C ATOM 1931 CD1 LEU A 134 -12.042 2.416 2.157 1.00 22.14 C ATOM 1932 CD2 LEU A 134 -10.123 0.985 1.415 1.00 20.53 C ATOM 0 H LEU A 134 -12.470 4.656 0.748 1.00 51.22 H new ATOM 0 HA LEU A 134 -9.720 5.020 1.372 1.00 1.03 H new ATOM 0 HB2 LEU A 134 -11.173 2.977 -0.301 1.00 74.31 H new ATOM 0 HB3 LEU A 134 -9.442 2.967 -0.030 1.00 74.31 H new ATOM 0 HG LEU A 134 -10.002 2.830 2.475 1.00 61.25 H new ATOM 0 HD11 LEU A 134 -12.135 1.798 3.050 1.00 22.14 H new ATOM 0 HD12 LEU A 134 -12.333 3.440 2.392 1.00 22.14 H new ATOM 0 HD13 LEU A 134 -12.693 2.024 1.376 1.00 22.14 H new ATOM 0 HD21 LEU A 134 -10.268 0.382 2.312 1.00 20.53 H new ATOM 0 HD22 LEU A 134 -10.693 0.554 0.592 1.00 20.53 H new ATOM 0 HD23 LEU A 134 -9.064 1.000 1.155 1.00 20.53 H new ATOM 1944 N HIS A 135 -8.854 5.996 -0.723 1.00 31.30 N ATOM 1945 CA HIS A 135 -8.380 6.699 -1.862 1.00 1.24 C ATOM 1946 C HIS A 135 -7.805 5.697 -2.836 1.00 43.44 C ATOM 1947 O HIS A 135 -8.214 5.607 -4.005 1.00 64.21 O ATOM 1948 CB HIS A 135 -7.295 7.704 -1.439 1.00 2.25 C ATOM 1949 CG HIS A 135 -6.910 8.681 -2.503 1.00 22.41 C ATOM 1950 ND1 HIS A 135 -5.985 8.433 -3.493 1.00 12.31 N ATOM 1951 CD2 HIS A 135 -7.346 9.939 -2.707 1.00 42.01 C ATOM 1952 CE1 HIS A 135 -5.885 9.526 -4.244 1.00 2.30 C ATOM 1953 NE2 HIS A 135 -6.699 10.476 -3.806 1.00 53.25 N ATOM 0 H HIS A 135 -8.217 6.002 0.073 1.00 31.30 H new ATOM 0 HA HIS A 135 -9.197 7.247 -2.332 1.00 1.24 H new ATOM 0 HB2 HIS A 135 -7.647 8.255 -0.567 1.00 2.25 H new ATOM 0 HB3 HIS A 135 -6.407 7.153 -1.130 1.00 2.25 H new ATOM 0 HD2 HIS A 135 -8.085 10.449 -2.107 1.00 42.01 H new ATOM 0 HE1 HIS A 135 -5.229 9.626 -5.096 1.00 2.30 H new ATOM 0 HE2 HIS A 135 -6.823 11.410 -4.198 1.00 53.25 H new ATOM 1961 N SER A 136 -6.894 4.912 -2.325 1.00 60.35 N ATOM 1962 CA SER A 136 -6.156 3.959 -3.100 1.00 70.34 C ATOM 1963 C SER A 136 -5.570 3.001 -2.097 1.00 44.14 C ATOM 1964 O SER A 136 -5.487 3.341 -0.944 1.00 70.23 O ATOM 1965 CB SER A 136 -4.982 4.662 -3.839 1.00 33.13 C ATOM 1966 OG SER A 136 -5.370 5.889 -4.477 1.00 11.42 O ATOM 0 H SER A 136 -6.641 4.920 -1.337 1.00 60.35 H new ATOM 0 HA SER A 136 -6.792 3.473 -3.840 1.00 70.34 H new ATOM 0 HB2 SER A 136 -4.183 4.867 -3.126 1.00 33.13 H new ATOM 0 HB3 SER A 136 -4.574 3.983 -4.588 1.00 33.13 H new ATOM 0 HG SER A 136 -5.474 6.591 -3.801 1.00 11.42 H new ATOM 1972 N VAL A 137 -5.214 1.825 -2.482 1.00 20.34 N ATOM 1973 CA VAL A 137 -4.523 0.927 -1.596 1.00 52.51 C ATOM 1974 C VAL A 137 -3.504 0.165 -2.429 1.00 52.35 C ATOM 1975 O VAL A 137 -3.776 -0.192 -3.560 1.00 13.10 O ATOM 1976 CB VAL A 137 -5.461 -0.071 -0.795 1.00 23.40 C ATOM 1977 CG1 VAL A 137 -6.611 0.620 -0.074 1.00 31.41 C ATOM 1978 CG2 VAL A 137 -5.983 -1.178 -1.639 1.00 44.13 C ATOM 0 H VAL A 137 -5.388 1.451 -3.415 1.00 20.34 H new ATOM 0 HA VAL A 137 -4.049 1.525 -0.818 1.00 52.51 H new ATOM 0 HB VAL A 137 -4.808 -0.500 -0.035 1.00 23.40 H new ATOM 0 HG11 VAL A 137 -7.210 -0.124 0.452 1.00 31.41 H new ATOM 0 HG12 VAL A 137 -6.212 1.338 0.643 1.00 31.41 H new ATOM 0 HG13 VAL A 137 -7.235 1.141 -0.800 1.00 31.41 H new ATOM 0 HG21 VAL A 137 -6.618 -1.827 -1.036 1.00 44.13 H new ATOM 0 HG22 VAL A 137 -6.565 -0.764 -2.462 1.00 44.13 H new ATOM 0 HG23 VAL A 137 -5.149 -1.755 -2.038 1.00 44.13 H new ATOM 1988 N LYS A 138 -2.348 -0.016 -1.914 1.00 24.12 N ATOM 1989 CA LYS A 138 -1.299 -0.680 -2.623 1.00 23.24 C ATOM 1990 C LYS A 138 -0.987 -1.995 -1.958 1.00 25.12 C ATOM 1991 O LYS A 138 -0.904 -2.073 -0.741 1.00 14.43 O ATOM 1992 CB LYS A 138 -0.039 0.178 -2.624 1.00 4.14 C ATOM 1993 CG LYS A 138 1.124 -0.421 -3.410 1.00 20.13 C ATOM 1994 CD LYS A 138 2.439 0.246 -3.044 1.00 24.43 C ATOM 1995 CE LYS A 138 2.445 1.724 -3.363 1.00 65.31 C ATOM 1996 NZ LYS A 138 3.601 2.391 -2.751 1.00 33.12 N ATOM 0 H LYS A 138 -2.090 0.293 -0.977 1.00 24.12 H new ATOM 0 HA LYS A 138 -1.627 -0.849 -3.649 1.00 23.24 H new ATOM 0 HB2 LYS A 138 -0.279 1.156 -3.041 1.00 4.14 H new ATOM 0 HB3 LYS A 138 0.278 0.340 -1.594 1.00 4.14 H new ATOM 0 HG2 LYS A 138 1.188 -1.491 -3.210 1.00 20.13 H new ATOM 0 HG3 LYS A 138 0.941 -0.307 -4.478 1.00 20.13 H new ATOM 0 HD2 LYS A 138 2.630 0.106 -1.980 1.00 24.43 H new ATOM 0 HD3 LYS A 138 3.252 -0.242 -3.581 1.00 24.43 H new ATOM 0 HE2 LYS A 138 2.469 1.866 -4.443 1.00 65.31 H new ATOM 0 HE3 LYS A 138 1.524 2.181 -3.002 1.00 65.31 H new ATOM 0 HZ1 LYS A 138 3.629 3.385 -3.054 1.00 33.12 H new ATOM 0 HZ2 LYS A 138 3.519 2.347 -1.715 1.00 33.12 H new ATOM 0 HZ3 LYS A 138 4.475 1.914 -3.050 1.00 33.12 H new ATOM 2010 N PHE A 139 -0.823 -2.994 -2.746 1.00 61.34 N ATOM 2011 CA PHE A 139 -0.429 -4.288 -2.301 1.00 14.34 C ATOM 2012 C PHE A 139 0.791 -4.680 -3.067 1.00 44.34 C ATOM 2013 O PHE A 139 0.792 -4.672 -4.295 1.00 20.54 O ATOM 2014 CB PHE A 139 -1.539 -5.323 -2.503 1.00 53.11 C ATOM 2015 CG PHE A 139 -2.761 -5.033 -1.704 1.00 50.34 C ATOM 2016 CD1 PHE A 139 -3.936 -4.667 -2.313 1.00 10.12 C ATOM 2017 CD2 PHE A 139 -2.719 -5.097 -0.334 1.00 43.12 C ATOM 2018 CE1 PHE A 139 -5.049 -4.374 -1.561 1.00 15.23 C ATOM 2019 CE2 PHE A 139 -3.825 -4.807 0.425 1.00 51.31 C ATOM 2020 CZ PHE A 139 -4.994 -4.444 -0.187 1.00 11.04 C ATOM 0 H PHE A 139 -0.963 -2.935 -3.755 1.00 61.34 H new ATOM 0 HA PHE A 139 -0.223 -4.255 -1.231 1.00 14.34 H new ATOM 0 HB2 PHE A 139 -1.804 -5.361 -3.560 1.00 53.11 H new ATOM 0 HB3 PHE A 139 -1.161 -6.309 -2.233 1.00 53.11 H new ATOM 0 HD1 PHE A 139 -3.986 -4.609 -3.390 1.00 10.12 H new ATOM 0 HD2 PHE A 139 -1.799 -5.381 0.156 1.00 43.12 H new ATOM 0 HE1 PHE A 139 -5.969 -4.088 -2.049 1.00 15.23 H new ATOM 0 HE2 PHE A 139 -3.773 -4.865 1.502 1.00 51.31 H new ATOM 0 HZ PHE A 139 -5.868 -4.214 0.404 1.00 11.04 H new ATOM 2030 N ILE A 140 1.827 -4.970 -2.373 1.00 63.45 N ATOM 2031 CA ILE A 140 3.051 -5.363 -2.987 1.00 15.32 C ATOM 2032 C ILE A 140 3.479 -6.655 -2.374 1.00 32.21 C ATOM 2033 O ILE A 140 4.006 -6.710 -1.256 1.00 22.12 O ATOM 2034 CB ILE A 140 4.154 -4.254 -2.915 1.00 52.21 C ATOM 2035 CG1 ILE A 140 4.232 -3.629 -1.509 1.00 53.40 C ATOM 2036 CG2 ILE A 140 3.925 -3.185 -3.983 1.00 74.44 C ATOM 2037 CD1 ILE A 140 5.217 -2.487 -1.384 1.00 15.11 C ATOM 0 H ILE A 140 1.856 -4.943 -1.354 1.00 63.45 H new ATOM 0 HA ILE A 140 2.892 -5.506 -4.056 1.00 15.32 H new ATOM 0 HB ILE A 140 5.115 -4.728 -3.116 1.00 52.21 H new ATOM 0 HG12 ILE A 140 3.242 -3.270 -1.229 1.00 53.40 H new ATOM 0 HG13 ILE A 140 4.503 -4.406 -0.794 1.00 53.40 H new ATOM 0 HG21 ILE A 140 4.705 -2.426 -3.912 1.00 74.44 H new ATOM 0 HG22 ILE A 140 3.956 -3.645 -4.971 1.00 74.44 H new ATOM 0 HG23 ILE A 140 2.951 -2.720 -3.829 1.00 74.44 H new ATOM 0 HD11 ILE A 140 5.206 -2.108 -0.362 1.00 15.11 H new ATOM 0 HD12 ILE A 140 6.218 -2.842 -1.629 1.00 15.11 H new ATOM 0 HD13 ILE A 140 4.937 -1.688 -2.071 1.00 15.11 H new ATOM 2049 N MET A 141 3.185 -7.700 -3.070 1.00 42.42 N ATOM 2050 CA MET A 141 3.410 -9.015 -2.552 1.00 74.33 C ATOM 2051 C MET A 141 4.813 -9.463 -2.842 1.00 41.13 C ATOM 2052 O MET A 141 5.394 -9.097 -3.885 1.00 52.55 O ATOM 2053 CB MET A 141 2.362 -10.005 -3.081 1.00 63.50 C ATOM 2054 CG MET A 141 2.366 -10.196 -4.592 1.00 13.40 C ATOM 2055 SD MET A 141 0.989 -11.207 -5.174 1.00 53.33 S ATOM 2056 CE MET A 141 1.259 -12.718 -4.247 1.00 72.14 C ATOM 0 H MET A 141 2.785 -7.673 -4.008 1.00 42.42 H new ATOM 0 HA MET A 141 3.296 -8.986 -1.468 1.00 74.33 H new ATOM 0 HB2 MET A 141 2.525 -10.973 -2.607 1.00 63.50 H new ATOM 0 HB3 MET A 141 1.373 -9.663 -2.775 1.00 63.50 H new ATOM 0 HG2 MET A 141 2.325 -9.221 -5.077 1.00 13.40 H new ATOM 0 HG3 MET A 141 3.305 -10.662 -4.892 1.00 13.40 H new ATOM 0 HE1 MET A 141 0.652 -13.518 -4.671 1.00 72.14 H new ATOM 0 HE2 MET A 141 2.312 -12.994 -4.300 1.00 72.14 H new ATOM 0 HE3 MET A 141 0.977 -12.561 -3.206 1.00 72.14 H new ATOM 2066 N SER A 142 5.375 -10.180 -1.881 1.00 21.52 N ATOM 2067 CA SER A 142 6.731 -10.720 -1.956 1.00 74.15 C ATOM 2068 C SER A 142 7.727 -9.578 -1.926 1.00 44.31 C ATOM 2069 O SER A 142 8.798 -9.617 -2.533 1.00 21.53 O ATOM 2070 CB SER A 142 6.894 -11.605 -3.193 1.00 1.14 C ATOM 2071 OG SER A 142 6.058 -12.763 -3.104 1.00 63.42 O ATOM 0 H SER A 142 4.896 -10.409 -1.010 1.00 21.52 H new ATOM 0 HA SER A 142 6.923 -11.357 -1.093 1.00 74.15 H new ATOM 0 HB2 SER A 142 6.641 -11.037 -4.088 1.00 1.14 H new ATOM 0 HB3 SER A 142 7.936 -11.910 -3.293 1.00 1.14 H new ATOM 0 HG SER A 142 6.176 -13.314 -3.906 1.00 63.42 H new ATOM 2077 N LYS A 143 7.350 -8.594 -1.169 1.00 41.44 N ATOM 2078 CA LYS A 143 8.094 -7.419 -0.948 1.00 60.31 C ATOM 2079 C LYS A 143 9.293 -7.743 -0.093 1.00 52.34 C ATOM 2080 O LYS A 143 9.195 -8.382 0.966 1.00 62.12 O ATOM 2081 CB LYS A 143 7.186 -6.389 -0.292 1.00 11.11 C ATOM 2082 CG LYS A 143 7.813 -5.069 0.121 1.00 43.44 C ATOM 2083 CD LYS A 143 8.514 -4.354 -1.012 1.00 71.31 C ATOM 2084 CE LYS A 143 8.786 -2.898 -0.653 1.00 64.41 C ATOM 2085 NZ LYS A 143 9.444 -2.732 0.668 1.00 24.34 N ATOM 0 H LYS A 143 6.463 -8.602 -0.666 1.00 41.44 H new ATOM 0 HA LYS A 143 8.462 -7.004 -1.886 1.00 60.31 H new ATOM 0 HB2 LYS A 143 6.369 -6.173 -0.980 1.00 11.11 H new ATOM 0 HB3 LYS A 143 6.745 -6.845 0.594 1.00 11.11 H new ATOM 0 HG2 LYS A 143 7.038 -4.419 0.526 1.00 43.44 H new ATOM 0 HG3 LYS A 143 8.528 -5.251 0.923 1.00 43.44 H new ATOM 0 HD2 LYS A 143 9.453 -4.858 -1.239 1.00 71.31 H new ATOM 0 HD3 LYS A 143 7.901 -4.402 -1.912 1.00 71.31 H new ATOM 0 HE2 LYS A 143 9.416 -2.453 -1.423 1.00 64.41 H new ATOM 0 HE3 LYS A 143 7.844 -2.349 -0.654 1.00 64.41 H new ATOM 0 HZ1 LYS A 143 9.916 -1.806 0.707 1.00 24.34 H new ATOM 0 HZ2 LYS A 143 8.729 -2.788 1.421 1.00 24.34 H new ATOM 0 HZ3 LYS A 143 10.148 -3.485 0.802 1.00 24.34 H new