USER MOD reduce.3.24.130724 H: found=0, std=0, add=940, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 939 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 28 TYR OH : rot -79:sc= 0.118 USER MOD Set 1.2: A 47 SER OG : rot -69:sc= 1.73 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -170:sc= 0.0476 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.16 X(o=-0.16,f=-0.0031) USER MOD Single : A 34 THR OG1 : rot 70:sc= 1.19 USER MOD Single : A 35 ASN : amide:sc= -5.96! C(o=-6!,f=-9.3!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0.0706 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 65:sc= 1.29 USER MOD Single : A 48 SER OG : rot 113:sc= 0.852 USER MOD Single : A 52 THR OG1 : rot -86:sc= -1.25 USER MOD Single : A 55 HIS : no HD1:sc=-0.000371 X(o=-0.00037,f=-0.098) USER MOD Single : A 56 THR OG1 : rot 140:sc= -0.297 USER MOD Single : A 58 LYS NZ :NH3+ -163:sc= -0.491 (180deg=-0.844) USER MOD Single : A 61 ASN : amide:sc= -0.352 X(o=-0.35,f=-0.099) USER MOD Single : A 63 LYS NZ :NH3+ 132:sc= -0.891 (180deg=-4.8!) USER MOD Single : A 65 ASN : amide:sc= 0.191 X(o=0.19,f=-0.03) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.153 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 164:sc= 0.0159 (180deg=-0.258) USER MOD Single : A 72 HIS : no HD1:sc= -0.135 X(o=-0.14,f=-0.016) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -1.01 K(o=-1,f=-0.49) USER MOD Single : A 89 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.178) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 ASN : amide:sc= -0.578 X(o=-0.58,f=-0.25) USER MOD Single : A 100 MET CE :methyl 135:sc= -4.19! (180deg=-7.7!) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl 180:sc= -0.269 (180deg=-0.269) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 MET CE :methyl -120:sc= -1.06 (180deg=-5.8!) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 ASN : amide:sc= -1.53 X(o=-1.5,f=-1.1) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0.171 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0.00238 USER MOD Single : A 127 LYS NZ :NH3+ -165:sc= -0.0472 (180deg=-0.283) USER MOD Single : A 132 ASN : amide:sc= -2.68 X(o=-2.7,f=-2.3!) USER MOD Single : A 134 THR OG1 : rot 170:sc= -0.0757 USER MOD ----------------------------------------------------------------- ATOM 127 N MET A 21 12.011 -13.688 0.632 1.00 34.10 N ATOM 128 CA MET A 21 10.965 -12.743 0.256 1.00 21.52 C ATOM 129 C MET A 21 11.542 -11.346 0.055 1.00 12.31 C ATOM 130 O MET A 21 12.734 -11.120 0.262 1.00 1.44 O ATOM 131 CB MET A 21 9.872 -12.708 1.326 1.00 52.22 C ATOM 132 CG MET A 21 10.396 -12.406 2.720 1.00 13.24 C ATOM 133 SD MET A 21 9.280 -12.972 4.019 1.00 2.21 S ATOM 134 CE MET A 21 9.818 -14.670 4.211 1.00 53.50 C ATOM 0 HA MET A 21 10.530 -13.076 -0.686 1.00 21.52 H new ATOM 0 HB2 MET A 21 9.132 -11.955 1.054 1.00 52.22 H new ATOM 0 HB3 MET A 21 9.358 -13.669 1.340 1.00 52.22 H new ATOM 0 HG2 MET A 21 11.368 -12.881 2.849 1.00 13.24 H new ATOM 0 HG3 MET A 21 10.550 -11.332 2.821 1.00 13.24 H new ATOM 0 HE1 MET A 21 9.221 -15.156 4.982 1.00 53.50 H new ATOM 0 HE2 MET A 21 9.693 -15.200 3.267 1.00 53.50 H new ATOM 0 HE3 MET A 21 10.869 -14.688 4.501 1.00 53.50 H new ATOM 144 N VAL A 22 10.688 -10.411 -0.350 1.00 43.32 N ATOM 145 CA VAL A 22 11.113 -9.035 -0.579 1.00 2.15 C ATOM 146 C VAL A 22 10.000 -8.052 -0.235 1.00 10.43 C ATOM 147 O VAL A 22 8.819 -8.397 -0.274 1.00 30.03 O ATOM 148 CB VAL A 22 11.543 -8.816 -2.041 1.00 43.42 C ATOM 149 CG1 VAL A 22 12.187 -7.448 -2.209 1.00 50.34 C ATOM 150 CG2 VAL A 22 12.491 -9.918 -2.489 1.00 33.54 C ATOM 0 H VAL A 22 9.698 -10.581 -0.526 1.00 43.32 H new ATOM 0 HA VAL A 22 11.967 -8.855 0.073 1.00 2.15 H new ATOM 0 HB VAL A 22 10.655 -8.854 -2.672 1.00 43.42 H new ATOM 0 HG11 VAL A 22 12.484 -7.311 -3.249 1.00 50.34 H new ATOM 0 HG12 VAL A 22 11.473 -6.673 -1.931 1.00 50.34 H new ATOM 0 HG13 VAL A 22 13.066 -7.378 -1.568 1.00 50.34 H new ATOM 0 HG21 VAL A 22 12.784 -9.747 -3.525 1.00 33.54 H new ATOM 0 HG22 VAL A 22 13.378 -9.915 -1.855 1.00 33.54 H new ATOM 0 HG23 VAL A 22 11.991 -10.883 -2.408 1.00 33.54 H new ATOM 160 N ARG A 23 10.385 -6.825 0.101 1.00 14.35 N ATOM 161 CA ARG A 23 9.419 -5.791 0.453 1.00 12.30 C ATOM 162 C ARG A 23 9.864 -4.429 -0.074 1.00 32.54 C ATOM 163 O ARG A 23 11.059 -4.142 -0.148 1.00 74.25 O ATOM 164 CB ARG A 23 9.237 -5.728 1.971 1.00 52.34 C ATOM 165 CG ARG A 23 10.374 -5.022 2.692 1.00 55.34 C ATOM 166 CD ARG A 23 10.778 -5.764 3.956 1.00 54.02 C ATOM 167 NE ARG A 23 11.168 -4.850 5.026 1.00 61.11 N ATOM 168 CZ ARG A 23 11.324 -5.224 6.291 1.00 11.31 C ATOM 169 NH1 ARG A 23 11.124 -6.486 6.642 1.00 32.53 N ATOM 170 NH2 ARG A 23 11.681 -4.333 7.208 1.00 61.41 N ATOM 0 H ARG A 23 11.359 -6.523 0.137 1.00 14.35 H new ATOM 0 HA ARG A 23 8.466 -6.047 -0.010 1.00 12.30 H new ATOM 0 HB2 ARG A 23 8.302 -5.215 2.195 1.00 52.34 H new ATOM 0 HB3 ARG A 23 9.146 -6.742 2.360 1.00 52.34 H new ATOM 0 HG2 ARG A 23 11.233 -4.940 2.026 1.00 55.34 H new ATOM 0 HG3 ARG A 23 10.070 -4.007 2.946 1.00 55.34 H new ATOM 0 HD2 ARG A 23 9.947 -6.384 4.294 1.00 54.02 H new ATOM 0 HD3 ARG A 23 11.607 -6.436 3.733 1.00 54.02 H new ATOM 0 HE ARG A 23 11.329 -3.871 4.789 1.00 61.11 H new ATOM 0 HH11 ARG A 23 10.850 -7.173 5.940 1.00 32.53 H new ATOM 0 HH12 ARG A 23 11.245 -6.770 7.614 1.00 32.53 H new ATOM 0 HH21 ARG A 23 11.836 -3.361 6.941 1.00 61.41 H new ATOM 0 HH22 ARG A 23 11.801 -4.621 8.179 1.00 61.41 H new ATOM 184 N ARG A 24 8.895 -3.596 -0.438 1.00 12.04 N ATOM 185 CA ARG A 24 9.187 -2.266 -0.959 1.00 33.11 C ATOM 186 C ARG A 24 9.618 -1.325 0.162 1.00 34.24 C ATOM 187 O ARG A 24 8.845 -0.476 0.605 1.00 52.34 O ATOM 188 CB ARG A 24 7.961 -1.696 -1.675 1.00 43.42 C ATOM 189 CG ARG A 24 7.816 -2.176 -3.110 1.00 31.01 C ATOM 190 CD ARG A 24 7.059 -3.493 -3.182 1.00 65.24 C ATOM 191 NE ARG A 24 6.807 -3.904 -4.561 1.00 21.32 N ATOM 192 CZ ARG A 24 5.809 -3.430 -5.298 1.00 43.22 C ATOM 193 NH1 ARG A 24 4.975 -2.532 -4.792 1.00 61.21 N ATOM 194 NH2 ARG A 24 5.645 -3.853 -6.545 1.00 53.11 N ATOM 0 H ARG A 24 7.901 -3.818 -0.382 1.00 12.04 H new ATOM 0 HA ARG A 24 10.008 -2.354 -1.671 1.00 33.11 H new ATOM 0 HB2 ARG A 24 7.065 -1.969 -1.117 1.00 43.42 H new ATOM 0 HB3 ARG A 24 8.021 -0.608 -1.669 1.00 43.42 H new ATOM 0 HG2 ARG A 24 7.292 -1.421 -3.696 1.00 31.01 H new ATOM 0 HG3 ARG A 24 8.803 -2.297 -3.556 1.00 31.01 H new ATOM 0 HD2 ARG A 24 7.630 -4.268 -2.671 1.00 65.24 H new ATOM 0 HD3 ARG A 24 6.111 -3.396 -2.654 1.00 65.24 H new ATOM 0 HE ARG A 24 7.432 -4.593 -4.981 1.00 21.32 H new ATOM 0 HH11 ARG A 24 5.099 -2.203 -3.834 1.00 61.21 H new ATOM 0 HH12 ARG A 24 4.209 -2.170 -5.360 1.00 61.21 H new ATOM 0 HH21 ARG A 24 6.286 -4.543 -6.938 1.00 53.11 H new ATOM 0 HH22 ARG A 24 4.878 -3.489 -7.110 1.00 53.11 H new ATOM 208 N ALA A 25 10.856 -1.484 0.618 1.00 50.32 N ATOM 209 CA ALA A 25 11.390 -0.648 1.686 1.00 40.11 C ATOM 210 C ALA A 25 12.252 0.477 1.124 1.00 42.23 C ATOM 211 O ALA A 25 12.605 0.471 -0.056 1.00 4.13 O ATOM 212 CB ALA A 25 12.193 -1.492 2.665 1.00 13.30 C ATOM 0 H ALA A 25 11.508 -2.184 0.264 1.00 50.32 H new ATOM 0 HA ALA A 25 10.550 -0.197 2.215 1.00 40.11 H new ATOM 0 HB1 ALA A 25 12.586 -0.855 3.457 1.00 13.30 H new ATOM 0 HB2 ALA A 25 11.549 -2.256 3.100 1.00 13.30 H new ATOM 0 HB3 ALA A 25 13.020 -1.970 2.140 1.00 13.30 H new ATOM 218 N ARG A 26 12.587 1.442 1.975 1.00 71.44 N ATOM 219 CA ARG A 26 13.406 2.575 1.561 1.00 22.44 C ATOM 220 C ARG A 26 14.784 2.109 1.098 1.00 14.23 C ATOM 221 O ARG A 26 15.104 0.922 1.163 1.00 20.03 O ATOM 222 CB ARG A 26 13.553 3.572 2.712 1.00 22.44 C ATOM 223 CG ARG A 26 13.356 5.019 2.293 1.00 2.21 C ATOM 224 CD ARG A 26 12.144 5.636 2.973 1.00 0.11 C ATOM 225 NE ARG A 26 12.329 5.758 4.417 1.00 62.14 N ATOM 226 CZ ARG A 26 11.582 6.538 5.190 1.00 23.22 C ATOM 227 NH1 ARG A 26 10.605 7.261 4.661 1.00 31.03 N ATOM 228 NH2 ARG A 26 11.812 6.595 6.496 1.00 42.22 N ATOM 0 H ARG A 26 12.304 1.462 2.955 1.00 71.44 H new ATOM 0 HA ARG A 26 12.908 3.066 0.725 1.00 22.44 H new ATOM 0 HB2 ARG A 26 12.829 3.326 3.489 1.00 22.44 H new ATOM 0 HB3 ARG A 26 14.544 3.462 3.153 1.00 22.44 H new ATOM 0 HG2 ARG A 26 14.247 5.595 2.542 1.00 2.21 H new ATOM 0 HG3 ARG A 26 13.234 5.072 1.211 1.00 2.21 H new ATOM 0 HD2 ARG A 26 11.952 6.621 2.548 1.00 0.11 H new ATOM 0 HD3 ARG A 26 11.265 5.025 2.771 1.00 0.11 H new ATOM 0 HE ARG A 26 13.072 5.214 4.855 1.00 62.14 H new ATOM 0 HH11 ARG A 26 10.425 7.219 3.658 1.00 31.03 H new ATOM 0 HH12 ARG A 26 10.033 7.859 5.257 1.00 31.03 H new ATOM 0 HH21 ARG A 26 12.563 6.040 6.906 1.00 42.22 H new ATOM 0 HH22 ARG A 26 11.238 7.194 7.089 1.00 42.22 H new ATOM 242 N CYS A 27 15.595 3.052 0.630 1.00 14.14 N ATOM 243 CA CYS A 27 16.937 2.740 0.155 1.00 0.02 C ATOM 244 C CYS A 27 17.778 4.007 0.030 1.00 50.31 C ATOM 245 O CYS A 27 17.392 4.956 -0.653 1.00 50.03 O ATOM 246 CB CYS A 27 16.869 2.024 -1.195 1.00 41.23 C ATOM 247 SG CYS A 27 17.933 0.550 -1.310 1.00 31.24 S ATOM 0 H CYS A 27 15.346 4.039 0.570 1.00 14.14 H new ATOM 0 HA CYS A 27 17.410 2.082 0.884 1.00 0.02 H new ATOM 0 HB2 CYS A 27 15.837 1.730 -1.386 1.00 41.23 H new ATOM 0 HB3 CYS A 27 17.152 2.725 -1.980 1.00 41.23 H new ATOM 252 N TYR A 28 18.929 4.015 0.694 1.00 75.14 N ATOM 253 CA TYR A 28 19.823 5.166 0.659 1.00 64.53 C ATOM 254 C TYR A 28 21.261 4.729 0.395 1.00 4.51 C ATOM 255 O TYR A 28 21.673 3.620 0.734 1.00 21.15 O ATOM 256 CB TYR A 28 19.746 5.938 1.977 1.00 44.13 C ATOM 257 CG TYR A 28 20.178 5.129 3.179 1.00 41.11 C ATOM 258 CD1 TYR A 28 21.524 4.913 3.448 1.00 1.34 C ATOM 259 CD2 TYR A 28 19.241 4.580 4.045 1.00 74.24 C ATOM 260 CE1 TYR A 28 21.923 4.174 4.545 1.00 4.22 C ATOM 261 CE2 TYR A 28 19.631 3.841 5.144 1.00 33.35 C ATOM 262 CZ TYR A 28 20.973 3.641 5.390 1.00 21.54 C ATOM 263 OH TYR A 28 21.366 2.904 6.484 1.00 33.33 O ATOM 0 H TYR A 28 19.264 3.237 1.263 1.00 75.14 H new ATOM 0 HA TYR A 28 19.505 5.818 -0.155 1.00 64.53 H new ATOM 0 HB2 TYR A 28 20.372 6.828 1.904 1.00 44.13 H new ATOM 0 HB3 TYR A 28 18.722 6.280 2.129 1.00 44.13 H new ATOM 0 HD1 TYR A 28 22.271 5.330 2.788 1.00 1.34 H new ATOM 0 HD2 TYR A 28 18.189 4.734 3.855 1.00 74.24 H new ATOM 0 HE1 TYR A 28 22.973 4.015 4.740 1.00 4.22 H new ATOM 0 HE2 TYR A 28 18.889 3.422 5.807 1.00 33.35 H new ATOM 0 HH TYR A 28 21.606 1.998 6.199 1.00 33.33 H new ATOM 273 N PRO A 29 22.045 5.624 -0.225 1.00 25.11 N ATOM 274 CA PRO A 29 23.450 5.356 -0.547 1.00 41.05 C ATOM 275 C PRO A 29 24.330 5.300 0.697 1.00 42.55 C ATOM 276 O PRO A 29 24.456 6.285 1.426 1.00 34.31 O ATOM 277 CB PRO A 29 23.844 6.544 -1.429 1.00 24.22 C ATOM 278 CG PRO A 29 22.915 7.637 -1.029 1.00 54.13 C ATOM 279 CD PRO A 29 21.621 6.966 -0.658 1.00 62.22 C ATOM 0 HA PRO A 29 23.580 4.387 -1.030 1.00 41.05 H new ATOM 0 HB2 PRO A 29 24.884 6.829 -1.268 1.00 24.22 H new ATOM 0 HB3 PRO A 29 23.740 6.303 -2.487 1.00 24.22 H new ATOM 0 HG2 PRO A 29 23.317 8.202 -0.188 1.00 54.13 H new ATOM 0 HG3 PRO A 29 22.768 8.343 -1.846 1.00 54.13 H new ATOM 0 HD2 PRO A 29 21.105 7.501 0.139 1.00 62.22 H new ATOM 0 HD3 PRO A 29 20.936 6.917 -1.505 1.00 62.22 H new ATOM 287 N THR A 30 24.940 4.143 0.934 1.00 75.13 N ATOM 288 CA THR A 30 25.808 3.959 2.090 1.00 75.11 C ATOM 289 C THR A 30 27.116 4.723 1.922 1.00 31.03 C ATOM 290 O THR A 30 27.351 5.726 2.596 1.00 33.01 O ATOM 291 CB THR A 30 26.123 2.469 2.325 1.00 55.55 C ATOM 292 OG1 THR A 30 25.121 1.654 1.707 1.00 72.32 O ATOM 293 CG2 THR A 30 26.191 2.159 3.812 1.00 35.41 C ATOM 0 H THR A 30 24.849 3.319 0.340 1.00 75.13 H new ATOM 0 HA THR A 30 25.271 4.350 2.954 1.00 75.11 H new ATOM 0 HB THR A 30 27.094 2.250 1.880 1.00 55.55 H new ATOM 0 HG1 THR A 30 25.236 0.723 1.990 1.00 72.32 H new ATOM 0 HG21 THR A 30 26.414 1.102 3.953 1.00 35.41 H new ATOM 0 HG22 THR A 30 26.974 2.760 4.274 1.00 35.41 H new ATOM 0 HG23 THR A 30 25.233 2.393 4.277 1.00 35.41 H new ATOM 301 N SER A 31 27.965 4.243 1.019 1.00 32.22 N ATOM 302 CA SER A 31 29.252 4.880 0.765 1.00 32.43 C ATOM 303 C SER A 31 29.271 5.535 -0.612 1.00 62.04 C ATOM 304 O SER A 31 28.379 5.313 -1.430 1.00 64.40 O ATOM 305 CB SER A 31 30.382 3.854 0.871 1.00 72.25 C ATOM 306 OG SER A 31 30.950 3.853 2.169 1.00 62.44 O ATOM 0 H SER A 31 27.785 3.415 0.451 1.00 32.22 H new ATOM 0 HA SER A 31 29.402 5.654 1.518 1.00 32.43 H new ATOM 0 HB2 SER A 31 29.999 2.861 0.638 1.00 72.25 H new ATOM 0 HB3 SER A 31 31.152 4.079 0.134 1.00 72.25 H new ATOM 0 HG SER A 31 31.668 3.188 2.211 1.00 62.44 H new ATOM 312 N ASN A 32 30.296 6.344 -0.861 1.00 53.32 N ATOM 313 CA ASN A 32 30.432 7.033 -2.139 1.00 44.43 C ATOM 314 C ASN A 32 30.321 6.051 -3.301 1.00 53.35 C ATOM 315 O ASN A 32 29.523 6.247 -4.218 1.00 20.41 O ATOM 316 CB ASN A 32 31.773 7.769 -2.205 1.00 74.42 C ATOM 317 CG ASN A 32 31.604 9.275 -2.246 1.00 42.22 C ATOM 318 OD1 ASN A 32 32.215 9.957 -3.069 1.00 61.03 O ATOM 319 ND2 ASN A 32 30.772 9.802 -1.355 1.00 63.21 N ATOM 0 H ASN A 32 31.044 6.538 -0.195 1.00 53.32 H new ATOM 0 HA ASN A 32 29.622 7.758 -2.221 1.00 44.43 H new ATOM 0 HB2 ASN A 32 32.377 7.497 -1.339 1.00 74.42 H new ATOM 0 HB3 ASN A 32 32.320 7.443 -3.090 1.00 74.42 H new ATOM 0 HD21 ASN A 32 30.619 10.810 -1.334 1.00 63.21 H new ATOM 0 HD22 ASN A 32 30.286 9.199 -0.691 1.00 63.21 H new ATOM 326 N ALA A 33 31.126 4.995 -3.256 1.00 33.13 N ATOM 327 CA ALA A 33 31.116 3.981 -4.303 1.00 33.12 C ATOM 328 C ALA A 33 30.287 2.770 -3.887 1.00 15.51 C ATOM 329 O ALA A 33 29.368 2.360 -4.597 1.00 61.41 O ATOM 330 CB ALA A 33 32.537 3.558 -4.642 1.00 24.15 C ATOM 0 H ALA A 33 31.794 4.819 -2.505 1.00 33.13 H new ATOM 0 HA ALA A 33 30.656 4.416 -5.191 1.00 33.12 H new ATOM 0 HB1 ALA A 33 32.514 2.800 -5.425 1.00 24.15 H new ATOM 0 HB2 ALA A 33 33.101 4.423 -4.990 1.00 24.15 H new ATOM 0 HB3 ALA A 33 33.016 3.147 -3.753 1.00 24.15 H new ATOM 336 N THR A 34 30.616 2.202 -2.731 1.00 63.33 N ATOM 337 CA THR A 34 29.904 1.037 -2.222 1.00 15.12 C ATOM 338 C THR A 34 30.251 0.776 -0.761 1.00 31.43 C ATOM 339 O THR A 34 31.365 1.053 -0.319 1.00 11.12 O ATOM 340 CB THR A 34 30.224 -0.223 -3.047 1.00 70.24 C ATOM 341 OG1 THR A 34 29.745 -1.389 -2.368 1.00 13.02 O ATOM 342 CG2 THR A 34 31.721 -0.348 -3.285 1.00 23.31 C ATOM 0 H THR A 34 31.372 2.530 -2.130 1.00 63.33 H new ATOM 0 HA THR A 34 28.840 1.256 -2.307 1.00 15.12 H new ATOM 0 HB THR A 34 29.725 -0.135 -4.012 1.00 70.24 H new ATOM 0 HG1 THR A 34 28.765 -1.397 -2.383 1.00 13.02 H new ATOM 0 HG21 THR A 34 31.923 -1.245 -3.870 1.00 23.31 H new ATOM 0 HG22 THR A 34 32.077 0.527 -3.829 1.00 23.31 H new ATOM 0 HG23 THR A 34 32.237 -0.415 -2.327 1.00 23.31 H new ATOM 350 N ASN A 35 29.290 0.239 -0.016 1.00 11.34 N ATOM 351 CA ASN A 35 29.495 -0.060 1.397 1.00 61.01 C ATOM 352 C ASN A 35 30.474 -1.218 1.571 1.00 15.42 C ATOM 353 O ASN A 35 30.664 -2.027 0.663 1.00 45.34 O ATOM 354 CB ASN A 35 28.162 -0.399 2.067 1.00 71.13 C ATOM 355 CG ASN A 35 28.227 -0.280 3.577 1.00 12.51 C ATOM 356 OD1 ASN A 35 29.228 0.172 4.133 1.00 64.23 O ATOM 357 ND2 ASN A 35 27.155 -0.685 4.249 1.00 5.21 N ATOM 0 H ASN A 35 28.362 0.002 -0.367 1.00 11.34 H new ATOM 0 HA ASN A 35 29.918 0.825 1.873 1.00 61.01 H new ATOM 0 HB2 ASN A 35 27.387 0.266 1.686 1.00 71.13 H new ATOM 0 HB3 ASN A 35 27.871 -1.414 1.798 1.00 71.13 H new ATOM 0 HD21 ASN A 35 27.140 -0.628 5.267 1.00 5.21 H new ATOM 0 HD22 ASN A 35 26.347 -1.053 3.747 1.00 5.21 H new ATOM 364 N THR A 36 31.092 -1.291 2.746 1.00 74.20 N ATOM 365 CA THR A 36 32.051 -2.349 3.040 1.00 15.41 C ATOM 366 C THR A 36 31.631 -3.145 4.270 1.00 13.02 C ATOM 367 O THR A 36 30.966 -2.621 5.165 1.00 42.12 O ATOM 368 CB THR A 36 33.463 -1.778 3.269 1.00 31.23 C ATOM 369 OG1 THR A 36 33.492 -0.389 2.925 1.00 41.35 O ATOM 370 CG2 THR A 36 34.492 -2.533 2.442 1.00 62.04 C ATOM 0 H THR A 36 30.946 -0.630 3.509 1.00 74.20 H new ATOM 0 HA THR A 36 32.070 -3.009 2.173 1.00 15.41 H new ATOM 0 HB THR A 36 33.712 -1.895 4.324 1.00 31.23 H new ATOM 0 HG1 THR A 36 34.393 -0.034 3.075 1.00 41.35 H new ATOM 0 HG21 THR A 36 35.482 -2.112 2.620 1.00 62.04 H new ATOM 0 HG22 THR A 36 34.488 -3.585 2.728 1.00 62.04 H new ATOM 0 HG23 THR A 36 34.245 -2.444 1.384 1.00 62.04 H new ATOM 378 N CYS A 37 32.023 -4.414 4.310 1.00 73.01 N ATOM 379 CA CYS A 37 31.687 -5.284 5.431 1.00 44.22 C ATOM 380 C CYS A 37 32.846 -6.223 5.756 1.00 13.52 C ATOM 381 O CYS A 37 33.199 -7.090 4.957 1.00 20.35 O ATOM 382 CB CYS A 37 30.431 -6.097 5.114 1.00 32.13 C ATOM 383 SG CYS A 37 30.042 -7.376 6.352 1.00 73.13 S ATOM 0 H CYS A 37 32.574 -4.863 3.579 1.00 73.01 H new ATOM 0 HA CYS A 37 31.495 -4.657 6.301 1.00 44.22 H new ATOM 0 HB2 CYS A 37 29.583 -5.418 5.030 1.00 32.13 H new ATOM 0 HB3 CYS A 37 30.555 -6.573 4.142 1.00 32.13 H new ATOM 388 N PHE A 38 33.433 -6.042 6.935 1.00 73.42 N ATOM 389 CA PHE A 38 34.551 -6.872 7.366 1.00 24.24 C ATOM 390 C PHE A 38 35.667 -6.866 6.325 1.00 12.21 C ATOM 391 O PHE A 38 36.265 -7.901 6.034 1.00 2.50 O ATOM 392 CB PHE A 38 34.082 -8.307 7.619 1.00 44.40 C ATOM 393 CG PHE A 38 33.542 -8.526 9.003 1.00 12.41 C ATOM 394 CD1 PHE A 38 32.881 -7.508 9.672 1.00 4.32 C ATOM 395 CD2 PHE A 38 33.694 -9.749 9.635 1.00 75.31 C ATOM 396 CE1 PHE A 38 32.384 -7.706 10.946 1.00 32.42 C ATOM 397 CE2 PHE A 38 33.198 -9.954 10.909 1.00 74.03 C ATOM 398 CZ PHE A 38 32.541 -8.931 11.565 1.00 70.43 C ATOM 0 H PHE A 38 33.153 -5.328 7.608 1.00 73.42 H new ATOM 0 HA PHE A 38 34.942 -6.456 8.295 1.00 24.24 H new ATOM 0 HB2 PHE A 38 33.311 -8.562 6.892 1.00 44.40 H new ATOM 0 HB3 PHE A 38 34.916 -8.988 7.451 1.00 44.40 H new ATOM 0 HD1 PHE A 38 32.753 -6.549 9.192 1.00 4.32 H new ATOM 0 HD2 PHE A 38 34.206 -10.552 9.126 1.00 75.31 H new ATOM 0 HE1 PHE A 38 31.873 -6.904 11.457 1.00 32.42 H new ATOM 0 HE2 PHE A 38 33.324 -10.912 11.391 1.00 74.03 H new ATOM 0 HZ PHE A 38 32.151 -9.089 12.560 1.00 70.43 H new ATOM 408 N GLY A 39 35.940 -5.691 5.767 1.00 43.55 N ATOM 409 CA GLY A 39 36.982 -5.570 4.763 1.00 20.54 C ATOM 410 C GLY A 39 36.467 -5.822 3.360 1.00 24.20 C ATOM 411 O GLY A 39 36.757 -5.059 2.439 1.00 44.21 O ATOM 0 H GLY A 39 35.459 -4.820 5.992 1.00 43.55 H new ATOM 0 HA2 GLY A 39 37.417 -4.572 4.813 1.00 20.54 H new ATOM 0 HA3 GLY A 39 37.781 -6.277 4.986 1.00 20.54 H new ATOM 415 N SER A 40 35.703 -6.897 3.196 1.00 54.23 N ATOM 416 CA SER A 40 35.151 -7.251 1.893 1.00 11.51 C ATOM 417 C SER A 40 33.990 -6.331 1.527 1.00 50.21 C ATOM 418 O SER A 40 32.979 -6.277 2.228 1.00 23.41 O ATOM 419 CB SER A 40 34.682 -8.707 1.892 1.00 4.14 C ATOM 420 OG SER A 40 35.172 -9.401 3.027 1.00 13.41 O ATOM 0 H SER A 40 35.452 -7.538 3.949 1.00 54.23 H new ATOM 0 HA SER A 40 35.937 -7.130 1.148 1.00 11.51 H new ATOM 0 HB2 SER A 40 33.593 -8.742 1.883 1.00 4.14 H new ATOM 0 HB3 SER A 40 35.024 -9.202 0.983 1.00 4.14 H new ATOM 0 HG SER A 40 34.857 -10.329 3.004 1.00 13.41 H new ATOM 426 N LYS A 41 34.142 -5.607 0.423 1.00 62.30 N ATOM 427 CA LYS A 41 33.108 -4.690 -0.040 1.00 11.43 C ATOM 428 C LYS A 41 31.862 -5.451 -0.480 1.00 62.45 C ATOM 429 O LYS A 41 31.957 -6.522 -1.082 1.00 22.20 O ATOM 430 CB LYS A 41 33.634 -3.838 -1.197 1.00 52.51 C ATOM 431 CG LYS A 41 35.002 -3.233 -0.934 1.00 50.53 C ATOM 432 CD LYS A 41 35.055 -1.772 -1.351 1.00 64.32 C ATOM 433 CE LYS A 41 34.802 -1.609 -2.842 1.00 10.41 C ATOM 434 NZ LYS A 41 34.998 -0.201 -3.287 1.00 23.13 N ATOM 0 H LYS A 41 34.973 -5.638 -0.168 1.00 62.30 H new ATOM 0 HA LYS A 41 32.838 -4.037 0.790 1.00 11.43 H new ATOM 0 HB2 LYS A 41 33.684 -4.452 -2.096 1.00 52.51 H new ATOM 0 HB3 LYS A 41 32.924 -3.036 -1.399 1.00 52.51 H new ATOM 0 HG2 LYS A 41 35.241 -3.319 0.126 1.00 50.53 H new ATOM 0 HG3 LYS A 41 35.760 -3.796 -1.478 1.00 50.53 H new ATOM 0 HD2 LYS A 41 34.312 -1.205 -0.791 1.00 64.32 H new ATOM 0 HD3 LYS A 41 36.030 -1.355 -1.099 1.00 64.32 H new ATOM 0 HE2 LYS A 41 35.474 -2.263 -3.398 1.00 10.41 H new ATOM 0 HE3 LYS A 41 33.785 -1.925 -3.075 1.00 10.41 H new ATOM 0 HZ1 LYS A 41 34.816 -0.131 -4.309 1.00 23.13 H new ATOM 0 HZ2 LYS A 41 34.339 0.420 -2.775 1.00 23.13 H new ATOM 0 HZ3 LYS A 41 35.976 0.093 -3.088 1.00 23.13 H new ATOM 448 N LEU A 42 30.695 -4.893 -0.179 1.00 42.32 N ATOM 449 CA LEU A 42 29.430 -5.519 -0.546 1.00 13.00 C ATOM 450 C LEU A 42 29.110 -5.280 -2.018 1.00 65.03 C ATOM 451 O LEU A 42 29.552 -4.304 -2.624 1.00 44.41 O ATOM 452 CB LEU A 42 28.297 -4.976 0.328 1.00 64.43 C ATOM 453 CG LEU A 42 28.430 -5.226 1.830 1.00 24.44 C ATOM 454 CD1 LEU A 42 28.927 -6.639 2.095 1.00 65.25 C ATOM 455 CD2 LEU A 42 29.365 -4.204 2.461 1.00 54.24 C ATOM 0 H LEU A 42 30.598 -4.008 0.318 1.00 42.32 H new ATOM 0 HA LEU A 42 29.524 -6.593 -0.383 1.00 13.00 H new ATOM 0 HB2 LEU A 42 28.222 -3.901 0.164 1.00 64.43 H new ATOM 0 HB3 LEU A 42 27.360 -5.417 -0.012 1.00 64.43 H new ATOM 0 HG LEU A 42 27.445 -5.118 2.284 1.00 24.44 H new ATOM 0 HD11 LEU A 42 29.015 -6.798 3.170 1.00 65.25 H new ATOM 0 HD12 LEU A 42 28.221 -7.357 1.679 1.00 65.25 H new ATOM 0 HD13 LEU A 42 29.902 -6.776 1.627 1.00 65.25 H new ATOM 0 HD21 LEU A 42 29.447 -4.398 3.530 1.00 54.24 H new ATOM 0 HD22 LEU A 42 30.350 -4.280 2.001 1.00 54.24 H new ATOM 0 HD23 LEU A 42 28.968 -3.201 2.304 1.00 54.24 H new ATOM 467 N PRO A 43 28.323 -6.191 -2.609 1.00 14.04 N ATOM 468 CA PRO A 43 27.924 -6.100 -4.016 1.00 50.53 C ATOM 469 C PRO A 43 26.953 -4.951 -4.271 1.00 23.44 C ATOM 470 O PRO A 43 26.622 -4.648 -5.417 1.00 34.51 O ATOM 471 CB PRO A 43 27.242 -7.444 -4.280 1.00 23.50 C ATOM 472 CG PRO A 43 26.757 -7.892 -2.944 1.00 41.43 C ATOM 473 CD PRO A 43 27.760 -7.380 -1.947 1.00 74.01 C ATOM 0 HA PRO A 43 28.775 -5.903 -4.668 1.00 50.53 H new ATOM 0 HB2 PRO A 43 26.418 -7.338 -4.985 1.00 23.50 H new ATOM 0 HB3 PRO A 43 27.939 -8.164 -4.710 1.00 23.50 H new ATOM 0 HG2 PRO A 43 25.763 -7.496 -2.736 1.00 41.43 H new ATOM 0 HG3 PRO A 43 26.682 -8.979 -2.900 1.00 41.43 H new ATOM 0 HD2 PRO A 43 27.289 -7.126 -0.997 1.00 74.01 H new ATOM 0 HD3 PRO A 43 28.529 -8.122 -1.733 1.00 74.01 H new ATOM 481 N TYR A 44 26.502 -4.316 -3.195 1.00 54.22 N ATOM 482 CA TYR A 44 25.567 -3.202 -3.302 1.00 40.32 C ATOM 483 C TYR A 44 26.166 -1.930 -2.710 1.00 13.42 C ATOM 484 O TYR A 44 27.226 -1.962 -2.086 1.00 70.24 O ATOM 485 CB TYR A 44 24.255 -3.540 -2.593 1.00 12.45 C ATOM 486 CG TYR A 44 24.426 -4.475 -1.417 1.00 75.21 C ATOM 487 CD1 TYR A 44 24.837 -3.998 -0.179 1.00 23.23 C ATOM 488 CD2 TYR A 44 24.176 -5.836 -1.545 1.00 22.00 C ATOM 489 CE1 TYR A 44 24.995 -4.849 0.898 1.00 24.30 C ATOM 490 CE2 TYR A 44 24.330 -6.694 -0.473 1.00 62.25 C ATOM 491 CZ TYR A 44 24.740 -6.196 0.746 1.00 61.23 C ATOM 492 OH TYR A 44 24.896 -7.048 1.815 1.00 21.02 O ATOM 0 H TYR A 44 26.768 -4.553 -2.239 1.00 54.22 H new ATOM 0 HA TYR A 44 25.366 -3.029 -4.359 1.00 40.32 H new ATOM 0 HB2 TYR A 44 23.790 -2.617 -2.248 1.00 12.45 H new ATOM 0 HB3 TYR A 44 23.570 -3.993 -3.310 1.00 12.45 H new ATOM 0 HD1 TYR A 44 25.037 -2.944 -0.056 1.00 23.23 H new ATOM 0 HD2 TYR A 44 23.856 -6.230 -2.498 1.00 22.00 H new ATOM 0 HE1 TYR A 44 25.316 -4.462 1.854 1.00 24.30 H new ATOM 0 HE2 TYR A 44 24.130 -7.749 -0.589 1.00 62.25 H new ATOM 0 HH TYR A 44 24.247 -6.819 2.513 1.00 21.02 H new ATOM 502 N GLU A 45 25.477 -0.810 -2.910 1.00 33.43 N ATOM 503 CA GLU A 45 25.940 0.473 -2.396 1.00 10.13 C ATOM 504 C GLU A 45 24.799 1.236 -1.729 1.00 10.11 C ATOM 505 O GLU A 45 24.909 2.434 -1.463 1.00 65.23 O ATOM 506 CB GLU A 45 26.539 1.314 -3.525 1.00 73.12 C ATOM 507 CG GLU A 45 25.519 1.756 -4.561 1.00 51.30 C ATOM 508 CD GLU A 45 26.108 2.696 -5.595 1.00 72.03 C ATOM 509 OE1 GLU A 45 26.330 3.879 -5.264 1.00 41.33 O ATOM 510 OE2 GLU A 45 26.346 2.247 -6.736 1.00 44.11 O ATOM 0 H GLU A 45 24.597 -0.766 -3.424 1.00 33.43 H new ATOM 0 HA GLU A 45 26.710 0.279 -1.649 1.00 10.13 H new ATOM 0 HB2 GLU A 45 27.015 2.196 -3.097 1.00 73.12 H new ATOM 0 HB3 GLU A 45 27.321 0.738 -4.020 1.00 73.12 H new ATOM 0 HG2 GLU A 45 25.113 0.878 -5.063 1.00 51.30 H new ATOM 0 HG3 GLU A 45 24.687 2.250 -4.059 1.00 51.30 H new ATOM 517 N LEU A 46 23.703 0.535 -1.462 1.00 20.44 N ATOM 518 CA LEU A 46 22.540 1.145 -0.826 1.00 61.41 C ATOM 519 C LEU A 46 22.156 0.392 0.444 1.00 4.30 C ATOM 520 O LEU A 46 22.675 -0.690 0.717 1.00 61.20 O ATOM 521 CB LEU A 46 21.358 1.167 -1.796 1.00 54.21 C ATOM 522 CG LEU A 46 21.561 1.967 -3.083 1.00 55.14 C ATOM 523 CD1 LEU A 46 20.349 1.832 -3.992 1.00 53.33 C ATOM 524 CD2 LEU A 46 21.831 3.430 -2.765 1.00 54.50 C ATOM 0 H LEU A 46 23.595 -0.456 -1.676 1.00 20.44 H new ATOM 0 HA LEU A 46 22.800 2.168 -0.555 1.00 61.41 H new ATOM 0 HB2 LEU A 46 21.116 0.139 -2.065 1.00 54.21 H new ATOM 0 HB3 LEU A 46 20.492 1.572 -1.273 1.00 54.21 H new ATOM 0 HG LEU A 46 22.428 1.564 -3.606 1.00 55.14 H new ATOM 0 HD11 LEU A 46 20.511 2.408 -4.903 1.00 53.33 H new ATOM 0 HD12 LEU A 46 20.201 0.783 -4.248 1.00 53.33 H new ATOM 0 HD13 LEU A 46 19.465 2.208 -3.478 1.00 53.33 H new ATOM 0 HD21 LEU A 46 21.973 3.984 -3.693 1.00 54.50 H new ATOM 0 HD22 LEU A 46 20.984 3.846 -2.220 1.00 54.50 H new ATOM 0 HD23 LEU A 46 22.730 3.510 -2.154 1.00 54.50 H new ATOM 536 N SER A 47 21.243 0.972 1.216 1.00 10.21 N ATOM 537 CA SER A 47 20.790 0.357 2.458 1.00 4.45 C ATOM 538 C SER A 47 19.436 0.919 2.881 1.00 43.22 C ATOM 539 O SER A 47 19.115 2.073 2.597 1.00 33.00 O ATOM 540 CB SER A 47 21.818 0.585 3.569 1.00 62.44 C ATOM 541 OG SER A 47 21.182 0.810 4.815 1.00 52.15 O ATOM 0 H SER A 47 20.802 1.867 1.003 1.00 10.21 H new ATOM 0 HA SER A 47 20.682 -0.714 2.286 1.00 4.45 H new ATOM 0 HB2 SER A 47 22.475 -0.281 3.644 1.00 62.44 H new ATOM 0 HB3 SER A 47 22.446 1.440 3.318 1.00 62.44 H new ATOM 0 HG SER A 47 20.728 1.679 4.799 1.00 52.15 H new ATOM 547 N SER A 48 18.646 0.094 3.561 1.00 45.31 N ATOM 548 CA SER A 48 17.325 0.506 4.020 1.00 41.01 C ATOM 549 C SER A 48 17.256 0.509 5.544 1.00 51.40 C ATOM 550 O SER A 48 17.264 -0.545 6.180 1.00 72.51 O ATOM 551 CB SER A 48 16.252 -0.424 3.451 1.00 33.24 C ATOM 552 OG SER A 48 14.956 0.121 3.633 1.00 63.20 O ATOM 0 H SER A 48 18.898 -0.864 3.806 1.00 45.31 H new ATOM 0 HA SER A 48 17.143 1.520 3.664 1.00 41.01 H new ATOM 0 HB2 SER A 48 16.435 -0.589 2.389 1.00 33.24 H new ATOM 0 HB3 SER A 48 16.313 -1.397 3.939 1.00 33.24 H new ATOM 0 HG SER A 48 14.573 0.351 2.761 1.00 63.20 H new ATOM 558 N LEU A 49 17.188 1.703 6.124 1.00 63.40 N ATOM 559 CA LEU A 49 17.118 1.845 7.574 1.00 13.51 C ATOM 560 C LEU A 49 15.890 1.133 8.132 1.00 21.33 C ATOM 561 O LEU A 49 15.870 0.729 9.295 1.00 32.21 O ATOM 562 CB LEU A 49 17.081 3.325 7.959 1.00 4.43 C ATOM 563 CG LEU A 49 18.005 3.744 9.104 1.00 62.04 C ATOM 564 CD1 LEU A 49 17.504 3.185 10.426 1.00 14.42 C ATOM 565 CD2 LEU A 49 19.430 3.283 8.834 1.00 3.32 C ATOM 0 H LEU A 49 17.180 2.586 5.613 1.00 63.40 H new ATOM 0 HA LEU A 49 18.008 1.385 8.003 1.00 13.51 H new ATOM 0 HB2 LEU A 49 17.336 3.915 7.079 1.00 4.43 H new ATOM 0 HB3 LEU A 49 16.058 3.584 8.231 1.00 4.43 H new ATOM 0 HG LEU A 49 18.002 4.832 9.169 1.00 62.04 H new ATOM 0 HD11 LEU A 49 18.174 3.493 11.229 1.00 14.42 H new ATOM 0 HD12 LEU A 49 16.501 3.564 10.625 1.00 14.42 H new ATOM 0 HD13 LEU A 49 17.477 2.097 10.374 1.00 14.42 H new ATOM 0 HD21 LEU A 49 20.074 3.589 9.658 1.00 3.32 H new ATOM 0 HD22 LEU A 49 19.450 2.197 8.742 1.00 3.32 H new ATOM 0 HD23 LEU A 49 19.788 3.732 7.908 1.00 3.32 H new ATOM 577 N ASP A 50 14.870 0.980 7.296 1.00 72.15 N ATOM 578 CA ASP A 50 13.639 0.313 7.704 1.00 22.41 C ATOM 579 C ASP A 50 13.920 -1.119 8.150 1.00 74.35 C ATOM 580 O ASP A 50 13.225 -1.660 9.011 1.00 31.20 O ATOM 581 CB ASP A 50 12.628 0.314 6.557 1.00 52.12 C ATOM 582 CG ASP A 50 11.199 0.172 7.044 1.00 23.10 C ATOM 583 OD1 ASP A 50 11.003 -0.346 8.164 1.00 54.05 O ATOM 584 OD2 ASP A 50 10.278 0.579 6.306 1.00 11.24 O ATOM 0 H ASP A 50 14.871 1.309 6.331 1.00 72.15 H new ATOM 0 HA ASP A 50 13.220 0.862 8.547 1.00 22.41 H new ATOM 0 HB2 ASP A 50 12.726 1.241 5.991 1.00 52.12 H new ATOM 0 HB3 ASP A 50 12.858 -0.503 5.873 1.00 52.12 H new ATOM 589 N LEU A 51 14.940 -1.728 7.557 1.00 65.52 N ATOM 590 CA LEU A 51 15.313 -3.099 7.892 1.00 53.35 C ATOM 591 C LEU A 51 15.544 -3.249 9.392 1.00 60.24 C ATOM 592 O LEU A 51 15.390 -4.336 9.949 1.00 22.52 O ATOM 593 CB LEU A 51 16.572 -3.507 7.126 1.00 25.31 C ATOM 594 CG LEU A 51 16.676 -4.984 6.744 1.00 24.33 C ATOM 595 CD1 LEU A 51 16.739 -5.142 5.233 1.00 43.20 C ATOM 596 CD2 LEU A 51 17.894 -5.620 7.400 1.00 73.23 C ATOM 0 H LEU A 51 15.524 -1.295 6.842 1.00 65.52 H new ATOM 0 HA LEU A 51 14.492 -3.755 7.603 1.00 53.35 H new ATOM 0 HB2 LEU A 51 16.627 -2.912 6.215 1.00 25.31 H new ATOM 0 HB3 LEU A 51 17.441 -3.246 7.730 1.00 25.31 H new ATOM 0 HG LEU A 51 15.784 -5.496 7.105 1.00 24.33 H new ATOM 0 HD11 LEU A 51 16.813 -6.200 4.981 1.00 43.20 H new ATOM 0 HD12 LEU A 51 15.837 -4.724 4.786 1.00 43.20 H new ATOM 0 HD13 LEU A 51 17.612 -4.615 4.848 1.00 43.20 H new ATOM 0 HD21 LEU A 51 17.952 -6.671 7.117 1.00 73.23 H new ATOM 0 HD22 LEU A 51 18.796 -5.105 7.070 1.00 73.23 H new ATOM 0 HD23 LEU A 51 17.807 -5.540 8.484 1.00 73.23 H new ATOM 608 N THR A 52 15.913 -2.150 10.042 1.00 50.33 N ATOM 609 CA THR A 52 16.164 -2.159 11.477 1.00 4.52 C ATOM 610 C THR A 52 15.158 -1.285 12.217 1.00 2.50 C ATOM 611 O THR A 52 14.261 -0.702 11.607 1.00 2.14 O ATOM 612 CB THR A 52 17.588 -1.669 11.801 1.00 5.11 C ATOM 613 OG1 THR A 52 17.948 -0.594 10.926 1.00 60.34 O ATOM 614 CG2 THR A 52 18.595 -2.801 11.662 1.00 32.22 C ATOM 0 H THR A 52 16.045 -1.242 9.597 1.00 50.33 H new ATOM 0 HA THR A 52 16.058 -3.192 11.810 1.00 4.52 H new ATOM 0 HB THR A 52 17.601 -1.317 12.833 1.00 5.11 H new ATOM 0 HG1 THR A 52 18.320 -0.959 10.096 1.00 60.34 H new ATOM 0 HG21 THR A 52 19.593 -2.431 11.896 1.00 32.22 H new ATOM 0 HG22 THR A 52 18.336 -3.605 12.351 1.00 32.22 H new ATOM 0 HG23 THR A 52 18.578 -3.179 10.640 1.00 32.22 H new ATOM 622 N ASP A 53 15.313 -1.197 13.533 1.00 2.14 N ATOM 623 CA ASP A 53 14.419 -0.392 14.357 1.00 55.43 C ATOM 624 C ASP A 53 15.150 0.816 14.933 1.00 4.32 C ATOM 625 O ASP A 53 15.233 0.983 16.150 1.00 33.24 O ATOM 626 CB ASP A 53 13.834 -1.237 15.489 1.00 75.20 C ATOM 627 CG ASP A 53 12.534 -0.669 16.024 1.00 74.13 C ATOM 628 OD1 ASP A 53 12.305 0.547 15.856 1.00 75.32 O ATOM 629 OD2 ASP A 53 11.746 -1.440 16.611 1.00 72.20 O ATOM 0 H ASP A 53 16.050 -1.674 14.053 1.00 2.14 H new ATOM 0 HA ASP A 53 13.607 -0.034 13.724 1.00 55.43 H new ATOM 0 HB2 ASP A 53 13.663 -2.252 15.130 1.00 75.20 H new ATOM 0 HB3 ASP A 53 14.559 -1.304 16.300 1.00 75.20 H new ATOM 634 N PHE A 54 15.682 1.656 14.051 1.00 13.31 N ATOM 635 CA PHE A 54 16.409 2.848 14.472 1.00 11.11 C ATOM 636 C PHE A 54 15.741 4.111 13.935 1.00 22.30 C ATOM 637 O PHE A 54 14.651 4.056 13.365 1.00 31.33 O ATOM 638 CB PHE A 54 17.860 2.782 13.993 1.00 64.34 C ATOM 639 CG PHE A 54 18.597 1.567 14.479 1.00 25.13 C ATOM 640 CD1 PHE A 54 18.831 1.378 15.832 1.00 64.33 C ATOM 641 CD2 PHE A 54 19.057 0.614 13.584 1.00 0.31 C ATOM 642 CE1 PHE A 54 19.509 0.261 16.283 1.00 20.30 C ATOM 643 CE2 PHE A 54 19.735 -0.505 14.029 1.00 12.24 C ATOM 644 CZ PHE A 54 19.962 -0.681 15.380 1.00 22.24 C ATOM 0 H PHE A 54 15.623 1.533 13.040 1.00 13.31 H new ATOM 0 HA PHE A 54 16.395 2.886 15.561 1.00 11.11 H new ATOM 0 HB2 PHE A 54 17.875 2.795 12.903 1.00 64.34 H new ATOM 0 HB3 PHE A 54 18.386 3.675 14.330 1.00 64.34 H new ATOM 0 HD1 PHE A 54 18.480 2.112 16.542 1.00 64.33 H new ATOM 0 HD2 PHE A 54 18.884 0.747 12.526 1.00 0.31 H new ATOM 0 HE1 PHE A 54 19.684 0.125 17.340 1.00 20.30 H new ATOM 0 HE2 PHE A 54 20.087 -1.241 13.321 1.00 12.24 H new ATOM 0 HZ PHE A 54 20.493 -1.554 15.730 1.00 22.24 H new ATOM 654 N HIS A 55 16.403 5.248 14.121 1.00 4.14 N ATOM 655 CA HIS A 55 15.875 6.525 13.656 1.00 50.51 C ATOM 656 C HIS A 55 16.910 7.268 12.816 1.00 1.25 C ATOM 657 O HIS A 55 16.726 8.437 12.475 1.00 1.25 O ATOM 658 CB HIS A 55 15.450 7.389 14.844 1.00 21.00 C ATOM 659 CG HIS A 55 14.040 7.147 15.286 1.00 33.13 C ATOM 660 ND1 HIS A 55 12.949 7.349 14.467 1.00 11.45 N ATOM 661 CD2 HIS A 55 13.545 6.715 16.470 1.00 51.02 C ATOM 662 CE1 HIS A 55 11.844 7.054 15.129 1.00 40.23 C ATOM 663 NE2 HIS A 55 12.178 6.666 16.346 1.00 1.12 N ATOM 0 H HIS A 55 17.306 5.311 14.591 1.00 4.14 H new ATOM 0 HA HIS A 55 15.004 6.324 13.033 1.00 50.51 H new ATOM 0 HB2 HIS A 55 16.122 7.198 15.681 1.00 21.00 H new ATOM 0 HB3 HIS A 55 15.563 8.440 14.578 1.00 21.00 H new ATOM 0 HD2 HIS A 55 14.118 6.457 17.348 1.00 51.02 H new ATOM 0 HE1 HIS A 55 10.838 7.119 14.740 1.00 40.23 H new ATOM 0 HE2 HIS A 55 11.527 6.377 17.076 1.00 1.12 H new ATOM 671 N THR A 56 18.000 6.582 12.487 1.00 41.35 N ATOM 672 CA THR A 56 19.065 7.177 11.689 1.00 2.02 C ATOM 673 C THR A 56 20.211 6.193 11.481 1.00 10.40 C ATOM 674 O THR A 56 20.368 5.240 12.243 1.00 71.12 O ATOM 675 CB THR A 56 19.615 8.455 12.350 1.00 52.31 C ATOM 676 OG1 THR A 56 20.912 8.759 11.825 1.00 1.13 O ATOM 677 CG2 THR A 56 19.699 8.291 13.860 1.00 75.11 C ATOM 0 H THR A 56 18.168 5.614 12.761 1.00 41.35 H new ATOM 0 HA THR A 56 18.630 7.434 10.723 1.00 2.02 H new ATOM 0 HB THR A 56 18.932 9.275 12.127 1.00 52.31 H new ATOM 0 HG1 THR A 56 20.993 9.727 11.694 1.00 1.13 H new ATOM 0 HG21 THR A 56 20.090 9.206 14.304 1.00 75.11 H new ATOM 0 HG22 THR A 56 18.705 8.089 14.260 1.00 75.11 H new ATOM 0 HG23 THR A 56 20.362 7.460 14.099 1.00 75.11 H new ATOM 685 N GLU A 57 21.009 6.432 10.445 1.00 2.21 N ATOM 686 CA GLU A 57 22.141 5.566 10.138 1.00 60.30 C ATOM 687 C GLU A 57 23.099 5.481 11.323 1.00 35.32 C ATOM 688 O GLU A 57 23.582 4.403 11.670 1.00 60.32 O ATOM 689 CB GLU A 57 22.885 6.079 8.903 1.00 13.13 C ATOM 690 CG GLU A 57 21.970 6.413 7.737 1.00 70.32 C ATOM 691 CD GLU A 57 22.027 7.878 7.351 1.00 13.24 C ATOM 692 OE1 GLU A 57 21.304 8.684 7.973 1.00 11.25 O ATOM 693 OE2 GLU A 57 22.795 8.219 6.427 1.00 32.43 O ATOM 0 H GLU A 57 20.893 7.217 9.805 1.00 2.21 H new ATOM 0 HA GLU A 57 21.755 4.568 9.932 1.00 60.30 H new ATOM 0 HB2 GLU A 57 23.453 6.969 9.175 1.00 13.13 H new ATOM 0 HB3 GLU A 57 23.606 5.326 8.584 1.00 13.13 H new ATOM 0 HG2 GLU A 57 22.247 5.804 6.877 1.00 70.32 H new ATOM 0 HG3 GLU A 57 20.945 6.150 7.998 1.00 70.32 H new ATOM 700 N LYS A 58 23.369 6.626 11.941 1.00 32.50 N ATOM 701 CA LYS A 58 24.267 6.683 13.088 1.00 44.12 C ATOM 702 C LYS A 58 23.827 5.706 14.174 1.00 43.35 C ATOM 703 O LYS A 58 24.657 5.138 14.882 1.00 21.04 O ATOM 704 CB LYS A 58 24.315 8.104 13.654 1.00 53.10 C ATOM 705 CG LYS A 58 23.071 8.489 14.436 1.00 74.12 C ATOM 706 CD LYS A 58 22.763 9.971 14.301 1.00 64.12 C ATOM 707 CE LYS A 58 22.540 10.620 15.658 1.00 23.22 C ATOM 708 NZ LYS A 58 21.092 10.752 15.978 1.00 11.14 N ATOM 0 H LYS A 58 22.978 7.527 11.666 1.00 32.50 H new ATOM 0 HA LYS A 58 25.264 6.399 12.751 1.00 44.12 H new ATOM 0 HB2 LYS A 58 25.186 8.199 14.303 1.00 53.10 H new ATOM 0 HB3 LYS A 58 24.451 8.809 12.834 1.00 53.10 H new ATOM 0 HG2 LYS A 58 22.222 7.906 14.080 1.00 74.12 H new ATOM 0 HG3 LYS A 58 23.210 8.240 15.488 1.00 74.12 H new ATOM 0 HD2 LYS A 58 23.586 10.470 13.789 1.00 64.12 H new ATOM 0 HD3 LYS A 58 21.875 10.104 13.683 1.00 64.12 H new ATOM 0 HE2 LYS A 58 23.030 10.026 16.430 1.00 23.22 H new ATOM 0 HE3 LYS A 58 23.006 11.605 15.670 1.00 23.22 H new ATOM 0 HZ1 LYS A 58 20.968 11.439 16.749 1.00 11.14 H new ATOM 0 HZ2 LYS A 58 20.579 11.081 15.135 1.00 11.14 H new ATOM 0 HZ3 LYS A 58 20.716 9.828 16.274 1.00 11.14 H new ATOM 722 N GLU A 59 22.517 5.516 14.296 1.00 24.32 N ATOM 723 CA GLU A 59 21.969 4.607 15.296 1.00 73.44 C ATOM 724 C GLU A 59 22.300 3.157 14.953 1.00 42.02 C ATOM 725 O GLU A 59 22.572 2.344 15.838 1.00 42.44 O ATOM 726 CB GLU A 59 20.452 4.783 15.401 1.00 45.54 C ATOM 727 CG GLU A 59 20.017 5.606 16.602 1.00 23.40 C ATOM 728 CD GLU A 59 19.464 4.750 17.725 1.00 60.21 C ATOM 729 OE1 GLU A 59 18.257 4.432 17.690 1.00 60.10 O ATOM 730 OE2 GLU A 59 20.239 4.398 18.639 1.00 61.11 O ATOM 0 H GLU A 59 21.817 5.978 13.716 1.00 24.32 H new ATOM 0 HA GLU A 59 22.424 4.849 16.257 1.00 73.44 H new ATOM 0 HB2 GLU A 59 20.086 5.261 14.492 1.00 45.54 H new ATOM 0 HB3 GLU A 59 19.983 3.800 15.455 1.00 45.54 H new ATOM 0 HG2 GLU A 59 20.867 6.180 16.972 1.00 23.40 H new ATOM 0 HG3 GLU A 59 19.259 6.324 16.290 1.00 23.40 H new ATOM 737 N LEU A 60 22.275 2.840 13.663 1.00 32.10 N ATOM 738 CA LEU A 60 22.572 1.488 13.202 1.00 51.25 C ATOM 739 C LEU A 60 24.051 1.164 13.383 1.00 63.22 C ATOM 740 O LEU A 60 24.407 0.087 13.859 1.00 74.41 O ATOM 741 CB LEU A 60 22.180 1.333 11.731 1.00 25.40 C ATOM 742 CG LEU A 60 22.000 -0.102 11.233 1.00 51.44 C ATOM 743 CD1 LEU A 60 20.926 -0.162 10.158 1.00 51.03 C ATOM 744 CD2 LEU A 60 23.317 -0.653 10.705 1.00 14.41 C ATOM 0 H LEU A 60 22.052 3.500 12.918 1.00 32.10 H new ATOM 0 HA LEU A 60 21.990 0.789 13.803 1.00 51.25 H new ATOM 0 HB2 LEU A 60 21.248 1.874 11.565 1.00 25.40 H new ATOM 0 HB3 LEU A 60 22.942 1.816 11.120 1.00 25.40 H new ATOM 0 HG LEU A 60 21.681 -0.720 12.072 1.00 51.44 H new ATOM 0 HD11 LEU A 60 20.811 -1.190 9.815 1.00 51.03 H new ATOM 0 HD12 LEU A 60 19.980 0.191 10.569 1.00 51.03 H new ATOM 0 HD13 LEU A 60 21.216 0.470 9.319 1.00 51.03 H new ATOM 0 HD21 LEU A 60 23.170 -1.675 10.355 1.00 14.41 H new ATOM 0 HD22 LEU A 60 23.666 -0.033 9.879 1.00 14.41 H new ATOM 0 HD23 LEU A 60 24.060 -0.646 11.502 1.00 14.41 H new ATOM 756 N ASN A 61 24.909 2.105 13.002 1.00 62.43 N ATOM 757 CA ASN A 61 26.351 1.919 13.124 1.00 54.42 C ATOM 758 C ASN A 61 26.780 1.945 14.587 1.00 22.55 C ATOM 759 O ASN A 61 27.615 1.146 15.014 1.00 52.21 O ATOM 760 CB ASN A 61 27.093 3.006 12.344 1.00 43.31 C ATOM 761 CG ASN A 61 27.338 2.617 10.899 1.00 74.51 C ATOM 762 OD1 ASN A 61 27.032 3.376 9.979 1.00 20.14 O ATOM 763 ND2 ASN A 61 27.891 1.427 10.693 1.00 51.14 N ATOM 0 H ASN A 61 24.631 3.003 12.607 1.00 62.43 H new ATOM 0 HA ASN A 61 26.604 0.944 12.707 1.00 54.42 H new ATOM 0 HB2 ASN A 61 26.516 3.930 12.376 1.00 43.31 H new ATOM 0 HB3 ASN A 61 28.048 3.210 12.829 1.00 43.31 H new ATOM 0 HD21 ASN A 61 28.078 1.109 9.742 1.00 51.14 H new ATOM 0 HD22 ASN A 61 28.128 0.831 11.486 1.00 51.14 H new ATOM 770 N ASP A 62 26.204 2.866 15.352 1.00 70.34 N ATOM 771 CA ASP A 62 26.525 2.994 16.768 1.00 4.32 C ATOM 772 C ASP A 62 25.993 1.802 17.557 1.00 65.54 C ATOM 773 O ASP A 62 26.616 1.352 18.519 1.00 13.23 O ATOM 774 CB ASP A 62 25.944 4.293 17.329 1.00 34.33 C ATOM 775 CG ASP A 62 26.520 4.646 18.686 1.00 13.43 C ATOM 776 OD1 ASP A 62 27.713 5.011 18.748 1.00 32.11 O ATOM 777 OD2 ASP A 62 25.777 4.560 19.686 1.00 23.35 O ATOM 0 H ASP A 62 25.512 3.535 15.015 1.00 70.34 H new ATOM 0 HA ASP A 62 27.610 3.017 16.868 1.00 4.32 H new ATOM 0 HB2 ASP A 62 26.141 5.107 16.631 1.00 34.33 H new ATOM 0 HB3 ASP A 62 24.861 4.198 17.411 1.00 34.33 H new ATOM 782 N LYS A 63 24.838 1.293 17.143 1.00 52.24 N ATOM 783 CA LYS A 63 24.221 0.152 17.809 1.00 53.43 C ATOM 784 C LYS A 63 25.168 -1.043 17.831 1.00 3.41 C ATOM 785 O LYS A 63 25.151 -1.844 18.766 1.00 4.04 O ATOM 786 CB LYS A 63 22.916 -0.231 17.106 1.00 44.42 C ATOM 787 CG LYS A 63 22.486 -1.665 17.361 1.00 44.21 C ATOM 788 CD LYS A 63 22.826 -2.566 16.186 1.00 71.23 C ATOM 789 CE LYS A 63 23.698 -3.737 16.614 1.00 14.54 C ATOM 790 NZ LYS A 63 22.898 -4.974 16.829 1.00 60.41 N ATOM 0 H LYS A 63 24.310 1.653 16.348 1.00 52.24 H new ATOM 0 HA LYS A 63 24.002 0.439 18.838 1.00 53.43 H new ATOM 0 HB2 LYS A 63 22.124 0.441 17.437 1.00 44.42 H new ATOM 0 HB3 LYS A 63 23.034 -0.081 16.033 1.00 44.42 H new ATOM 0 HG2 LYS A 63 22.976 -2.038 18.260 1.00 44.21 H new ATOM 0 HG3 LYS A 63 21.412 -1.696 17.546 1.00 44.21 H new ATOM 0 HD2 LYS A 63 21.907 -2.941 15.736 1.00 71.23 H new ATOM 0 HD3 LYS A 63 23.343 -1.987 15.420 1.00 71.23 H new ATOM 0 HE2 LYS A 63 24.456 -3.922 15.853 1.00 14.54 H new ATOM 0 HE3 LYS A 63 24.225 -3.481 17.533 1.00 14.54 H new ATOM 0 HZ1 LYS A 63 23.354 -5.771 16.342 1.00 60.41 H new ATOM 0 HZ2 LYS A 63 22.841 -5.178 17.847 1.00 60.41 H new ATOM 0 HZ3 LYS A 63 21.940 -4.838 16.449 1.00 60.41 H new ATOM 804 N LEU A 64 25.995 -1.156 16.797 1.00 13.22 N ATOM 805 CA LEU A 64 26.951 -2.253 16.699 1.00 44.31 C ATOM 806 C LEU A 64 27.742 -2.404 17.995 1.00 55.11 C ATOM 807 O LEU A 64 28.114 -3.511 18.380 1.00 4.03 O ATOM 808 CB LEU A 64 27.909 -2.017 15.529 1.00 34.51 C ATOM 809 CG LEU A 64 27.262 -1.875 14.151 1.00 52.11 C ATOM 810 CD1 LEU A 64 28.160 -2.468 13.076 1.00 12.41 C ATOM 811 CD2 LEU A 64 25.894 -2.541 14.132 1.00 13.13 C ATOM 0 H LEU A 64 26.023 -0.501 16.015 1.00 13.22 H new ATOM 0 HA LEU A 64 26.394 -3.174 16.526 1.00 44.31 H new ATOM 0 HB2 LEU A 64 28.485 -1.114 15.733 1.00 34.51 H new ATOM 0 HB3 LEU A 64 28.617 -2.845 15.492 1.00 34.51 H new ATOM 0 HG LEU A 64 27.130 -0.814 13.941 1.00 52.11 H new ATOM 0 HD11 LEU A 64 27.683 -2.358 12.102 1.00 12.41 H new ATOM 0 HD12 LEU A 64 29.117 -1.946 13.073 1.00 12.41 H new ATOM 0 HD13 LEU A 64 28.324 -3.526 13.282 1.00 12.41 H new ATOM 0 HD21 LEU A 64 25.449 -2.430 13.143 1.00 13.13 H new ATOM 0 HD22 LEU A 64 26.002 -3.600 14.364 1.00 13.13 H new ATOM 0 HD23 LEU A 64 25.250 -2.071 14.875 1.00 13.13 H new ATOM 823 N ASN A 65 27.991 -1.283 18.664 1.00 42.12 N ATOM 824 CA ASN A 65 28.736 -1.291 19.918 1.00 54.11 C ATOM 825 C ASN A 65 28.127 -2.282 20.906 1.00 52.54 C ATOM 826 O ASN A 65 28.844 -2.970 21.632 1.00 71.24 O ATOM 827 CB ASN A 65 28.757 0.111 20.532 1.00 73.45 C ATOM 828 CG ASN A 65 29.838 0.988 19.932 1.00 45.11 C ATOM 829 OD1 ASN A 65 31.028 0.690 20.044 1.00 52.15 O ATOM 830 ND2 ASN A 65 29.429 2.077 19.292 1.00 43.15 N ATOM 0 H ASN A 65 27.688 -0.358 18.359 1.00 42.12 H new ATOM 0 HA ASN A 65 29.758 -1.601 19.703 1.00 54.11 H new ATOM 0 HB2 ASN A 65 27.786 0.584 20.385 1.00 73.45 H new ATOM 0 HB3 ASN A 65 28.913 0.031 21.608 1.00 73.45 H new ATOM 0 HD21 ASN A 65 30.111 2.706 18.868 1.00 43.15 H new ATOM 0 HD22 ASN A 65 28.433 2.285 19.224 1.00 43.15 H new ATOM 837 N ASP A 66 26.800 -2.348 20.926 1.00 2.25 N ATOM 838 CA ASP A 66 26.094 -3.255 21.823 1.00 30.24 C ATOM 839 C ASP A 66 26.441 -4.708 21.511 1.00 54.55 C ATOM 840 O ASP A 66 26.677 -5.509 22.415 1.00 2.41 O ATOM 841 CB ASP A 66 24.583 -3.043 21.712 1.00 24.15 C ATOM 842 CG ASP A 66 24.003 -2.360 22.935 1.00 4.51 C ATOM 843 OD1 ASP A 66 24.449 -2.675 24.058 1.00 71.10 O ATOM 844 OD2 ASP A 66 23.103 -1.510 22.769 1.00 3.40 O ATOM 0 H ASP A 66 26.192 -1.784 20.332 1.00 2.25 H new ATOM 0 HA ASP A 66 26.410 -3.036 22.843 1.00 30.24 H new ATOM 0 HB2 ASP A 66 24.367 -2.443 20.828 1.00 24.15 H new ATOM 0 HB3 ASP A 66 24.093 -4.006 21.571 1.00 24.15 H new ATOM 849 N TYR A 67 26.468 -5.040 20.225 1.00 55.02 N ATOM 850 CA TYR A 67 26.782 -6.397 19.793 1.00 55.45 C ATOM 851 C TYR A 67 28.272 -6.685 19.942 1.00 2.22 C ATOM 852 O TYR A 67 28.674 -7.821 20.194 1.00 63.14 O ATOM 853 CB TYR A 67 26.354 -6.603 18.338 1.00 4.23 C ATOM 854 CG TYR A 67 27.515 -6.794 17.388 1.00 55.03 C ATOM 855 CD1 TYR A 67 28.162 -8.020 17.289 1.00 51.54 C ATOM 856 CD2 TYR A 67 27.964 -5.749 16.590 1.00 70.44 C ATOM 857 CE1 TYR A 67 29.223 -8.199 16.422 1.00 12.10 C ATOM 858 CE2 TYR A 67 29.023 -5.920 15.719 1.00 20.03 C ATOM 859 CZ TYR A 67 29.649 -7.146 15.639 1.00 23.42 C ATOM 860 OH TYR A 67 30.706 -7.320 14.774 1.00 15.05 O ATOM 0 H TYR A 67 26.276 -4.389 19.464 1.00 55.02 H new ATOM 0 HA TYR A 67 26.231 -7.090 20.429 1.00 55.45 H new ATOM 0 HB2 TYR A 67 25.700 -7.473 18.280 1.00 4.23 H new ATOM 0 HB3 TYR A 67 25.768 -5.742 18.015 1.00 4.23 H new ATOM 0 HD1 TYR A 67 27.830 -8.847 17.900 1.00 51.54 H new ATOM 0 HD2 TYR A 67 27.477 -4.787 16.651 1.00 70.44 H new ATOM 0 HE1 TYR A 67 29.716 -9.158 16.358 1.00 12.10 H new ATOM 0 HE2 TYR A 67 29.359 -5.098 15.104 1.00 20.03 H new ATOM 0 HH TYR A 67 30.879 -6.482 14.296 1.00 15.05 H new ATOM 870 N TYR A 68 29.087 -5.647 19.786 1.00 31.44 N ATOM 871 CA TYR A 68 30.534 -5.788 19.902 1.00 14.41 C ATOM 872 C TYR A 68 30.909 -6.523 21.185 1.00 72.11 C ATOM 873 O TYR A 68 31.872 -7.289 21.216 1.00 52.43 O ATOM 874 CB TYR A 68 31.204 -4.413 19.874 1.00 21.04 C ATOM 875 CG TYR A 68 31.758 -4.037 18.519 1.00 44.11 C ATOM 876 CD1 TYR A 68 32.930 -4.611 18.042 1.00 61.04 C ATOM 877 CD2 TYR A 68 31.110 -3.108 17.715 1.00 55.32 C ATOM 878 CE1 TYR A 68 33.440 -4.270 16.804 1.00 3.42 C ATOM 879 CE2 TYR A 68 31.612 -2.761 16.475 1.00 33.33 C ATOM 880 CZ TYR A 68 32.778 -3.345 16.025 1.00 54.43 C ATOM 881 OH TYR A 68 33.282 -3.003 14.791 1.00 51.12 O ATOM 0 H TYR A 68 28.770 -4.700 19.579 1.00 31.44 H new ATOM 0 HA TYR A 68 30.886 -6.374 19.053 1.00 14.41 H new ATOM 0 HB2 TYR A 68 30.480 -3.659 20.183 1.00 21.04 H new ATOM 0 HB3 TYR A 68 32.012 -4.397 20.605 1.00 21.04 H new ATOM 0 HD1 TYR A 68 33.451 -5.336 18.649 1.00 61.04 H new ATOM 0 HD2 TYR A 68 30.197 -2.649 18.065 1.00 55.32 H new ATOM 0 HE1 TYR A 68 34.352 -4.726 16.448 1.00 3.42 H new ATOM 0 HE2 TYR A 68 31.095 -2.037 15.862 1.00 33.33 H new ATOM 0 HH TYR A 68 32.696 -2.340 14.371 1.00 51.12 H new ATOM 891 N ALA A 69 30.140 -6.285 22.242 1.00 12.13 N ATOM 892 CA ALA A 69 30.388 -6.926 23.528 1.00 44.34 C ATOM 893 C ALA A 69 30.439 -8.443 23.384 1.00 75.00 C ATOM 894 O ALA A 69 31.167 -9.122 24.109 1.00 43.12 O ATOM 895 CB ALA A 69 29.320 -6.524 24.533 1.00 14.12 C ATOM 0 H ALA A 69 29.340 -5.653 22.233 1.00 12.13 H new ATOM 0 HA ALA A 69 31.358 -6.589 23.893 1.00 44.34 H new ATOM 0 HB1 ALA A 69 29.518 -7.010 25.488 1.00 14.12 H new ATOM 0 HB2 ALA A 69 29.335 -5.442 24.666 1.00 14.12 H new ATOM 0 HB3 ALA A 69 28.341 -6.831 24.166 1.00 14.12 H new ATOM 901 N LEU A 70 29.660 -8.970 22.446 1.00 54.34 N ATOM 902 CA LEU A 70 29.615 -10.408 22.207 1.00 34.22 C ATOM 903 C LEU A 70 30.986 -10.935 21.796 1.00 74.14 C ATOM 904 O LEU A 70 31.249 -12.136 21.868 1.00 51.43 O ATOM 905 CB LEU A 70 28.584 -10.734 21.124 1.00 4.43 C ATOM 906 CG LEU A 70 28.204 -12.208 20.981 1.00 12.42 C ATOM 907 CD1 LEU A 70 26.695 -12.380 21.066 1.00 61.03 C ATOM 908 CD2 LEU A 70 28.734 -12.771 19.671 1.00 42.43 C ATOM 0 H LEU A 70 29.051 -8.423 21.838 1.00 54.34 H new ATOM 0 HA LEU A 70 29.322 -10.897 23.136 1.00 34.22 H new ATOM 0 HB2 LEU A 70 27.678 -10.164 21.330 1.00 4.43 H new ATOM 0 HB3 LEU A 70 28.970 -10.384 20.166 1.00 4.43 H new ATOM 0 HG LEU A 70 28.659 -12.762 21.802 1.00 12.42 H new ATOM 0 HD11 LEU A 70 26.443 -13.435 20.962 1.00 61.03 H new ATOM 0 HD12 LEU A 70 26.341 -12.015 22.030 1.00 61.03 H new ATOM 0 HD13 LEU A 70 26.219 -11.813 20.266 1.00 61.03 H new ATOM 0 HD21 LEU A 70 28.454 -13.821 19.586 1.00 42.43 H new ATOM 0 HD22 LEU A 70 28.308 -12.214 18.837 1.00 42.43 H new ATOM 0 HD23 LEU A 70 29.820 -12.682 19.650 1.00 42.43 H new ATOM 920 N LYS A 71 31.857 -10.029 21.365 1.00 21.05 N ATOM 921 CA LYS A 71 33.203 -10.400 20.945 1.00 21.34 C ATOM 922 C LYS A 71 33.868 -11.300 21.982 1.00 10.25 C ATOM 923 O LYS A 71 34.666 -12.173 21.641 1.00 60.40 O ATOM 924 CB LYS A 71 34.053 -9.148 20.721 1.00 43.21 C ATOM 925 CG LYS A 71 34.439 -8.436 22.006 1.00 32.01 C ATOM 926 CD LYS A 71 35.364 -7.261 21.737 1.00 62.30 C ATOM 927 CE LYS A 71 34.590 -6.036 21.276 1.00 72.14 C ATOM 928 NZ LYS A 71 33.899 -5.358 22.407 1.00 30.02 N ATOM 0 H LYS A 71 31.655 -9.032 21.297 1.00 21.05 H new ATOM 0 HA LYS A 71 33.125 -10.951 20.008 1.00 21.34 H new ATOM 0 HB2 LYS A 71 34.959 -9.426 20.183 1.00 43.21 H new ATOM 0 HB3 LYS A 71 33.504 -8.456 20.083 1.00 43.21 H new ATOM 0 HG2 LYS A 71 33.540 -8.084 22.512 1.00 32.01 H new ATOM 0 HG3 LYS A 71 34.929 -9.139 22.679 1.00 32.01 H new ATOM 0 HD2 LYS A 71 35.921 -7.021 22.642 1.00 62.30 H new ATOM 0 HD3 LYS A 71 36.094 -7.538 20.977 1.00 62.30 H new ATOM 0 HE2 LYS A 71 35.272 -5.335 20.795 1.00 72.14 H new ATOM 0 HE3 LYS A 71 33.856 -6.331 20.527 1.00 72.14 H new ATOM 0 HZ1 LYS A 71 33.615 -4.401 22.117 1.00 30.02 H new ATOM 0 HZ2 LYS A 71 33.055 -5.903 22.675 1.00 30.02 H new ATOM 0 HZ3 LYS A 71 34.544 -5.296 23.221 1.00 30.02 H new ATOM 942 N HIS A 72 33.533 -11.082 23.250 1.00 2.43 N ATOM 943 CA HIS A 72 34.097 -11.874 24.337 1.00 32.41 C ATOM 944 C HIS A 72 33.948 -13.366 24.055 1.00 65.43 C ATOM 945 O HIS A 72 34.860 -14.152 24.316 1.00 12.20 O ATOM 946 CB HIS A 72 33.414 -11.524 25.660 1.00 43.44 C ATOM 947 CG HIS A 72 34.215 -10.595 26.519 1.00 43.50 C ATOM 948 ND1 HIS A 72 34.094 -10.546 27.892 1.00 71.43 N ATOM 949 CD2 HIS A 72 35.154 -9.676 26.193 1.00 2.43 C ATOM 950 CE1 HIS A 72 34.922 -9.637 28.373 1.00 2.21 C ATOM 951 NE2 HIS A 72 35.578 -9.094 27.363 1.00 72.10 N ATOM 0 H HIS A 72 32.874 -10.364 23.550 1.00 2.43 H new ATOM 0 HA HIS A 72 35.159 -11.639 24.411 1.00 32.41 H new ATOM 0 HB2 HIS A 72 32.446 -11.069 25.451 1.00 43.44 H new ATOM 0 HB3 HIS A 72 33.221 -12.443 26.214 1.00 43.44 H new ATOM 0 HD2 HIS A 72 35.505 -9.444 25.198 1.00 2.43 H new ATOM 0 HE1 HIS A 72 35.043 -9.381 29.415 1.00 2.21 H new ATOM 0 HE2 HIS A 72 36.284 -8.362 27.439 1.00 72.10 H new ATOM 959 N VAL A 73 32.794 -13.751 23.520 1.00 13.21 N ATOM 960 CA VAL A 73 32.526 -15.148 23.202 1.00 61.31 C ATOM 961 C VAL A 73 32.796 -15.438 21.730 1.00 73.13 C ATOM 962 O VAL A 73 32.037 -15.042 20.844 1.00 4.13 O ATOM 963 CB VAL A 73 31.071 -15.530 23.531 1.00 74.02 C ATOM 964 CG1 VAL A 73 30.797 -16.976 23.145 1.00 4.22 C ATOM 965 CG2 VAL A 73 30.780 -15.299 25.006 1.00 20.10 C ATOM 0 H VAL A 73 32.029 -13.114 23.298 1.00 13.21 H new ATOM 0 HA VAL A 73 33.198 -15.747 23.817 1.00 61.31 H new ATOM 0 HB VAL A 73 30.406 -14.892 22.949 1.00 74.02 H new ATOM 0 HG11 VAL A 73 29.764 -17.227 23.385 1.00 4.22 H new ATOM 0 HG12 VAL A 73 30.962 -17.105 22.075 1.00 4.22 H new ATOM 0 HG13 VAL A 73 31.468 -17.634 23.698 1.00 4.22 H new ATOM 0 HG21 VAL A 73 29.747 -15.574 25.221 1.00 20.10 H new ATOM 0 HG22 VAL A 73 31.451 -15.910 25.609 1.00 20.10 H new ATOM 0 HG23 VAL A 73 30.933 -14.247 25.247 1.00 20.10 H new ATOM 975 N PRO A 74 33.902 -16.147 21.459 1.00 11.21 N ATOM 976 CA PRO A 74 34.297 -16.507 20.094 1.00 2.12 C ATOM 977 C PRO A 74 33.364 -17.542 19.474 1.00 2.34 C ATOM 978 O PRO A 74 33.209 -17.602 18.255 1.00 41.55 O ATOM 979 CB PRO A 74 35.700 -17.092 20.274 1.00 43.42 C ATOM 980 CG PRO A 74 35.727 -17.588 21.678 1.00 0.33 C ATOM 981 CD PRO A 74 34.852 -16.652 22.465 1.00 54.42 C ATOM 0 HA PRO A 74 34.260 -15.651 19.420 1.00 2.12 H new ATOM 0 HB2 PRO A 74 35.886 -17.899 19.565 1.00 43.42 H new ATOM 0 HB3 PRO A 74 36.468 -16.337 20.106 1.00 43.42 H new ATOM 0 HG2 PRO A 74 35.356 -18.611 21.737 1.00 0.33 H new ATOM 0 HG3 PRO A 74 36.744 -17.594 22.070 1.00 0.33 H new ATOM 0 HD2 PRO A 74 34.340 -17.168 23.278 1.00 54.42 H new ATOM 0 HD3 PRO A 74 35.429 -15.844 22.914 1.00 54.42 H new ATOM 989 N LYS A 75 32.744 -18.355 20.322 1.00 21.42 N ATOM 990 CA LYS A 75 31.824 -19.387 19.859 1.00 64.52 C ATOM 991 C LYS A 75 30.688 -18.778 19.044 1.00 1.31 C ATOM 992 O LYS A 75 30.342 -19.276 17.973 1.00 52.04 O ATOM 993 CB LYS A 75 31.254 -20.163 21.048 1.00 1.05 C ATOM 994 CG LYS A 75 32.296 -20.969 21.805 1.00 72.13 C ATOM 995 CD LYS A 75 32.907 -22.051 20.930 1.00 50.31 C ATOM 996 CE LYS A 75 34.310 -21.676 20.478 1.00 1.43 C ATOM 997 NZ LYS A 75 35.327 -21.970 21.526 1.00 41.14 N ATOM 0 H LYS A 75 32.862 -18.319 21.335 1.00 21.42 H new ATOM 0 HA LYS A 75 32.380 -20.072 19.219 1.00 64.52 H new ATOM 0 HB2 LYS A 75 30.780 -19.462 21.735 1.00 1.05 H new ATOM 0 HB3 LYS A 75 30.475 -20.836 20.691 1.00 1.05 H new ATOM 0 HG2 LYS A 75 33.081 -20.304 22.165 1.00 72.13 H new ATOM 0 HG3 LYS A 75 31.838 -21.425 22.683 1.00 72.13 H new ATOM 0 HD2 LYS A 75 32.940 -22.991 21.481 1.00 50.31 H new ATOM 0 HD3 LYS A 75 32.274 -22.215 20.058 1.00 50.31 H new ATOM 0 HE2 LYS A 75 34.557 -22.223 19.568 1.00 1.43 H new ATOM 0 HE3 LYS A 75 34.340 -20.615 20.230 1.00 1.43 H new ATOM 0 HZ1 LYS A 75 36.270 -21.701 21.180 1.00 41.14 H new ATOM 0 HZ2 LYS A 75 35.106 -21.428 22.386 1.00 41.14 H new ATOM 0 HZ3 LYS A 75 35.316 -22.987 21.745 1.00 41.14 H new ATOM 1011 N CYS A 76 30.112 -17.696 19.558 1.00 61.01 N ATOM 1012 CA CYS A 76 29.016 -17.017 18.878 1.00 34.02 C ATOM 1013 C CYS A 76 29.539 -15.885 17.998 1.00 34.24 C ATOM 1014 O CYS A 76 28.983 -15.603 16.937 1.00 61.54 O ATOM 1015 CB CYS A 76 28.019 -16.465 19.899 1.00 34.11 C ATOM 1016 SG CYS A 76 26.287 -16.924 19.570 1.00 34.12 S ATOM 0 H CYS A 76 30.387 -17.271 20.444 1.00 61.01 H new ATOM 0 HA CYS A 76 28.510 -17.744 18.242 1.00 34.02 H new ATOM 0 HB2 CYS A 76 28.296 -16.822 20.891 1.00 34.11 H new ATOM 0 HB3 CYS A 76 28.098 -15.378 19.917 1.00 34.11 H new ATOM 1021 N TRP A 77 30.609 -15.241 18.448 1.00 65.12 N ATOM 1022 CA TRP A 77 31.208 -14.140 17.702 1.00 71.05 C ATOM 1023 C TRP A 77 31.529 -14.562 16.272 1.00 31.21 C ATOM 1024 O TRP A 77 31.057 -13.951 15.314 1.00 40.00 O ATOM 1025 CB TRP A 77 32.479 -13.654 18.401 1.00 73.34 C ATOM 1026 CG TRP A 77 33.454 -12.998 17.471 1.00 0.30 C ATOM 1027 CD1 TRP A 77 34.762 -13.340 17.281 1.00 45.21 C ATOM 1028 CD2 TRP A 77 33.198 -11.885 16.607 1.00 25.10 C ATOM 1029 NE1 TRP A 77 35.336 -12.507 16.351 1.00 53.34 N ATOM 1030 CE2 TRP A 77 34.397 -11.606 15.921 1.00 30.23 C ATOM 1031 CE3 TRP A 77 32.074 -11.099 16.344 1.00 13.31 C ATOM 1032 CZ2 TRP A 77 34.500 -10.574 14.993 1.00 70.25 C ATOM 1033 CZ3 TRP A 77 32.178 -10.075 15.422 1.00 14.43 C ATOM 1034 CH2 TRP A 77 33.383 -9.820 14.755 1.00 61.12 C ATOM 0 H TRP A 77 31.080 -15.462 19.325 1.00 65.12 H new ATOM 0 HA TRP A 77 30.487 -13.324 17.667 1.00 71.05 H new ATOM 0 HB2 TRP A 77 32.206 -12.949 19.186 1.00 73.34 H new ATOM 0 HB3 TRP A 77 32.964 -14.500 18.887 1.00 73.34 H new ATOM 0 HD1 TRP A 77 35.271 -14.147 17.787 1.00 45.21 H new ATOM 0 HE1 TRP A 77 36.304 -12.552 16.032 1.00 53.34 H new ATOM 0 HE3 TRP A 77 31.140 -11.288 16.852 1.00 13.31 H new ATOM 0 HZ2 TRP A 77 35.429 -10.375 14.479 1.00 70.25 H new ATOM 0 HZ3 TRP A 77 31.315 -9.461 15.212 1.00 14.43 H new ATOM 0 HH2 TRP A 77 33.432 -9.013 14.039 1.00 61.12 H new ATOM 1045 N ALA A 78 32.334 -15.611 16.136 1.00 40.20 N ATOM 1046 CA ALA A 78 32.716 -16.115 14.823 1.00 73.42 C ATOM 1047 C ALA A 78 31.504 -16.648 14.066 1.00 72.11 C ATOM 1048 O ALA A 78 31.569 -16.886 12.860 1.00 33.13 O ATOM 1049 CB ALA A 78 33.773 -17.201 14.961 1.00 12.04 C ATOM 0 H ALA A 78 32.734 -16.128 16.919 1.00 40.20 H new ATOM 0 HA ALA A 78 33.134 -15.287 14.251 1.00 73.42 H new ATOM 0 HB1 ALA A 78 34.049 -17.568 13.972 1.00 12.04 H new ATOM 0 HB2 ALA A 78 34.654 -16.791 15.454 1.00 12.04 H new ATOM 0 HB3 ALA A 78 33.374 -18.023 15.555 1.00 12.04 H new ATOM 1055 N ALA A 79 30.400 -16.834 14.782 1.00 55.43 N ATOM 1056 CA ALA A 79 29.173 -17.337 14.177 1.00 54.02 C ATOM 1057 C ALA A 79 28.451 -16.238 13.404 1.00 34.31 C ATOM 1058 O ALA A 79 27.825 -16.498 12.376 1.00 64.34 O ATOM 1059 CB ALA A 79 28.259 -17.922 15.244 1.00 44.10 C ATOM 0 H ALA A 79 30.330 -16.644 15.782 1.00 55.43 H new ATOM 0 HA ALA A 79 29.441 -18.124 13.473 1.00 54.02 H new ATOM 0 HB1 ALA A 79 27.347 -18.294 14.778 1.00 44.10 H new ATOM 0 HB2 ALA A 79 28.768 -18.742 15.749 1.00 44.10 H new ATOM 0 HB3 ALA A 79 28.006 -17.149 15.970 1.00 44.10 H new ATOM 1065 N ILE A 80 28.540 -15.011 13.906 1.00 24.43 N ATOM 1066 CA ILE A 80 27.896 -13.874 13.262 1.00 13.13 C ATOM 1067 C ILE A 80 28.863 -13.147 12.334 1.00 11.44 C ATOM 1068 O ILE A 80 28.588 -12.035 11.884 1.00 0.33 O ATOM 1069 CB ILE A 80 27.348 -12.876 14.299 1.00 3.44 C ATOM 1070 CG1 ILE A 80 26.271 -11.990 13.669 1.00 65.33 C ATOM 1071 CG2 ILE A 80 28.477 -12.026 14.863 1.00 0.44 C ATOM 1072 CD1 ILE A 80 25.822 -10.856 14.563 1.00 73.03 C ATOM 0 H ILE A 80 29.052 -14.779 14.757 1.00 24.43 H new ATOM 0 HA ILE A 80 27.066 -14.271 12.678 1.00 13.13 H new ATOM 0 HB ILE A 80 26.897 -13.437 15.117 1.00 3.44 H new ATOM 0 HG12 ILE A 80 26.653 -11.577 12.735 1.00 65.33 H new ATOM 0 HG13 ILE A 80 25.408 -12.606 13.416 1.00 65.33 H new ATOM 0 HG21 ILE A 80 28.074 -11.325 15.595 1.00 0.44 H new ATOM 0 HG22 ILE A 80 29.212 -12.671 15.344 1.00 0.44 H new ATOM 0 HG23 ILE A 80 28.954 -11.472 14.055 1.00 0.44 H new ATOM 0 HD11 ILE A 80 25.058 -10.270 14.052 1.00 73.03 H new ATOM 0 HD12 ILE A 80 25.410 -11.262 15.487 1.00 73.03 H new ATOM 0 HD13 ILE A 80 26.674 -10.217 14.796 1.00 73.03 H new ATOM 1084 N GLN A 81 29.995 -13.783 12.052 1.00 73.33 N ATOM 1085 CA GLN A 81 31.002 -13.197 11.176 1.00 43.20 C ATOM 1086 C GLN A 81 30.434 -12.948 9.783 1.00 64.45 C ATOM 1087 O GLN A 81 30.370 -11.816 9.305 1.00 40.52 O ATOM 1088 CB GLN A 81 32.225 -14.112 11.086 1.00 51.23 C ATOM 1089 CG GLN A 81 33.501 -13.475 11.611 1.00 24.11 C ATOM 1090 CD GLN A 81 34.510 -14.500 12.090 1.00 23.14 C ATOM 1091 OE1 GLN A 81 34.762 -15.502 11.420 1.00 53.45 O ATOM 1092 NE2 GLN A 81 35.095 -14.255 13.257 1.00 2.20 N ATOM 0 H GLN A 81 30.238 -14.704 12.417 1.00 73.33 H new ATOM 0 HA GLN A 81 31.304 -12.240 11.601 1.00 43.20 H new ATOM 0 HB2 GLN A 81 32.027 -15.025 11.647 1.00 51.23 H new ATOM 0 HB3 GLN A 81 32.375 -14.403 10.046 1.00 51.23 H new ATOM 0 HG2 GLN A 81 33.950 -12.869 10.825 1.00 24.11 H new ATOM 0 HG3 GLN A 81 33.255 -12.801 12.432 1.00 24.11 H new ATOM 0 HE21 GLN A 81 34.857 -13.412 13.780 1.00 2.20 H new ATOM 0 HE22 GLN A 81 35.782 -14.910 13.630 1.00 2.20 H new ATOM 1101 N PRO A 82 30.013 -14.031 9.113 1.00 35.52 N ATOM 1102 CA PRO A 82 29.442 -13.956 7.765 1.00 63.42 C ATOM 1103 C PRO A 82 28.069 -13.293 7.752 1.00 4.21 C ATOM 1104 O PRO A 82 27.683 -12.661 6.768 1.00 21.33 O ATOM 1105 CB PRO A 82 29.331 -15.424 7.345 1.00 72.04 C ATOM 1106 CG PRO A 82 29.233 -16.178 8.626 1.00 74.45 C ATOM 1107 CD PRO A 82 30.059 -15.413 9.621 1.00 1.24 C ATOM 0 HA PRO A 82 30.055 -13.352 7.096 1.00 63.42 H new ATOM 0 HB2 PRO A 82 28.455 -15.591 6.719 1.00 72.04 H new ATOM 0 HB3 PRO A 82 30.200 -15.737 6.767 1.00 72.04 H new ATOM 0 HG2 PRO A 82 28.197 -16.254 8.956 1.00 74.45 H new ATOM 0 HG3 PRO A 82 29.606 -17.196 8.509 1.00 74.45 H new ATOM 0 HD2 PRO A 82 29.645 -15.485 10.627 1.00 1.24 H new ATOM 0 HD3 PRO A 82 31.081 -15.790 9.669 1.00 1.24 H new ATOM 1115 N PHE A 83 27.336 -13.440 8.851 1.00 43.43 N ATOM 1116 CA PHE A 83 26.005 -12.855 8.965 1.00 4.45 C ATOM 1117 C PHE A 83 26.092 -11.363 9.276 1.00 71.10 C ATOM 1118 O PHE A 83 25.159 -10.606 9.004 1.00 3.54 O ATOM 1119 CB PHE A 83 25.204 -13.568 10.056 1.00 73.32 C ATOM 1120 CG PHE A 83 23.750 -13.192 10.074 1.00 33.21 C ATOM 1121 CD1 PHE A 83 23.066 -12.958 8.892 1.00 43.42 C ATOM 1122 CD2 PHE A 83 23.066 -13.074 11.273 1.00 2.35 C ATOM 1123 CE1 PHE A 83 21.729 -12.611 8.906 1.00 14.51 C ATOM 1124 CE2 PHE A 83 21.728 -12.727 11.294 1.00 62.31 C ATOM 1125 CZ PHE A 83 21.058 -12.496 10.108 1.00 24.54 C ATOM 0 H PHE A 83 27.641 -13.959 9.675 1.00 43.43 H new ATOM 0 HA PHE A 83 25.497 -12.981 8.009 1.00 4.45 H new ATOM 0 HB2 PHE A 83 25.291 -14.645 9.914 1.00 73.32 H new ATOM 0 HB3 PHE A 83 25.643 -13.338 11.027 1.00 73.32 H new ATOM 0 HD1 PHE A 83 23.584 -13.048 7.949 1.00 43.42 H new ATOM 0 HD2 PHE A 83 23.585 -13.255 12.203 1.00 2.35 H new ATOM 0 HE1 PHE A 83 21.208 -12.430 7.977 1.00 14.51 H new ATOM 0 HE2 PHE A 83 21.207 -12.637 12.236 1.00 62.31 H new ATOM 0 HZ PHE A 83 20.012 -12.226 10.121 1.00 24.54 H new ATOM 1135 N LEU A 84 27.217 -10.948 9.847 1.00 22.31 N ATOM 1136 CA LEU A 84 27.427 -9.547 10.196 1.00 71.41 C ATOM 1137 C LEU A 84 27.044 -8.634 9.036 1.00 63.14 C ATOM 1138 O LEU A 84 26.662 -7.481 9.239 1.00 62.33 O ATOM 1139 CB LEU A 84 28.887 -9.311 10.585 1.00 23.44 C ATOM 1140 CG LEU A 84 29.120 -8.472 11.842 1.00 55.40 C ATOM 1141 CD1 LEU A 84 28.894 -6.997 11.547 1.00 4.34 C ATOM 1142 CD2 LEU A 84 28.210 -8.937 12.970 1.00 3.00 C ATOM 0 H LEU A 84 27.998 -11.562 10.078 1.00 22.31 H new ATOM 0 HA LEU A 84 26.788 -9.310 11.047 1.00 71.41 H new ATOM 0 HB2 LEU A 84 29.366 -10.280 10.725 1.00 23.44 H new ATOM 0 HB3 LEU A 84 29.391 -8.825 9.749 1.00 23.44 H new ATOM 0 HG LEU A 84 30.155 -8.605 12.158 1.00 55.40 H new ATOM 0 HD11 LEU A 84 29.064 -6.415 12.453 1.00 4.34 H new ATOM 0 HD12 LEU A 84 29.586 -6.671 10.771 1.00 4.34 H new ATOM 0 HD13 LEU A 84 27.870 -6.847 11.206 1.00 4.34 H new ATOM 0 HD21 LEU A 84 28.390 -8.329 13.857 1.00 3.00 H new ATOM 0 HD22 LEU A 84 27.169 -8.834 12.664 1.00 3.00 H new ATOM 0 HD23 LEU A 84 28.419 -9.982 13.199 1.00 3.00 H new ATOM 1154 N CYS A 85 27.148 -9.158 7.819 1.00 55.44 N ATOM 1155 CA CYS A 85 26.811 -8.391 6.625 1.00 71.20 C ATOM 1156 C CYS A 85 25.304 -8.391 6.386 1.00 52.22 C ATOM 1157 O CYS A 85 24.717 -7.359 6.061 1.00 72.21 O ATOM 1158 CB CYS A 85 27.532 -8.966 5.404 1.00 31.22 C ATOM 1159 SG CYS A 85 29.346 -9.008 5.563 1.00 2.15 S ATOM 0 H CYS A 85 27.463 -10.110 7.634 1.00 55.44 H new ATOM 0 HA CYS A 85 27.137 -7.362 6.780 1.00 71.20 H new ATOM 0 HB2 CYS A 85 27.170 -9.979 5.225 1.00 31.22 H new ATOM 0 HB3 CYS A 85 27.268 -8.374 4.528 1.00 31.22 H new ATOM 1164 N ALA A 86 24.684 -9.555 6.549 1.00 21.14 N ATOM 1165 CA ALA A 86 23.246 -9.689 6.354 1.00 51.01 C ATOM 1166 C ALA A 86 22.478 -9.219 7.585 1.00 24.51 C ATOM 1167 O ALA A 86 21.267 -9.416 7.687 1.00 64.53 O ATOM 1168 CB ALA A 86 22.890 -11.131 6.026 1.00 71.51 C ATOM 0 H ALA A 86 25.156 -10.419 6.816 1.00 21.14 H new ATOM 0 HA ALA A 86 22.958 -9.055 5.515 1.00 51.01 H new ATOM 0 HB1 ALA A 86 21.813 -11.216 5.883 1.00 71.51 H new ATOM 0 HB2 ALA A 86 23.402 -11.434 5.113 1.00 71.51 H new ATOM 0 HB3 ALA A 86 23.199 -11.778 6.847 1.00 71.51 H new ATOM 1174 N VAL A 87 23.191 -8.598 8.520 1.00 72.04 N ATOM 1175 CA VAL A 87 22.576 -8.100 9.744 1.00 24.04 C ATOM 1176 C VAL A 87 22.476 -6.579 9.730 1.00 42.12 C ATOM 1177 O VAL A 87 21.403 -6.015 9.944 1.00 50.55 O ATOM 1178 CB VAL A 87 23.370 -8.539 10.989 1.00 31.42 C ATOM 1179 CG1 VAL A 87 22.735 -7.978 12.253 1.00 64.33 C ATOM 1180 CG2 VAL A 87 23.459 -10.057 11.056 1.00 52.52 C ATOM 0 H VAL A 87 24.195 -8.428 8.453 1.00 72.04 H new ATOM 0 HA VAL A 87 21.574 -8.527 9.791 1.00 24.04 H new ATOM 0 HB VAL A 87 24.382 -8.141 10.912 1.00 31.42 H new ATOM 0 HG11 VAL A 87 23.310 -8.299 13.122 1.00 64.33 H new ATOM 0 HG12 VAL A 87 22.728 -6.889 12.204 1.00 64.33 H new ATOM 0 HG13 VAL A 87 21.712 -8.344 12.339 1.00 64.33 H new ATOM 0 HG21 VAL A 87 24.023 -10.350 11.942 1.00 52.52 H new ATOM 0 HG22 VAL A 87 22.455 -10.478 11.110 1.00 52.52 H new ATOM 0 HG23 VAL A 87 23.963 -10.432 10.165 1.00 52.52 H new ATOM 1190 N PHE A 88 23.602 -5.920 9.476 1.00 53.33 N ATOM 1191 CA PHE A 88 23.641 -4.463 9.433 1.00 4.44 C ATOM 1192 C PHE A 88 23.824 -3.965 8.003 1.00 52.24 C ATOM 1193 O PHE A 88 23.594 -2.792 7.707 1.00 72.04 O ATOM 1194 CB PHE A 88 24.774 -3.936 10.317 1.00 65.32 C ATOM 1195 CG PHE A 88 24.912 -4.674 11.618 1.00 41.10 C ATOM 1196 CD1 PHE A 88 23.857 -4.728 12.514 1.00 14.30 C ATOM 1197 CD2 PHE A 88 26.097 -5.314 11.945 1.00 53.21 C ATOM 1198 CE1 PHE A 88 23.981 -5.405 13.712 1.00 20.03 C ATOM 1199 CE2 PHE A 88 26.227 -5.993 13.142 1.00 71.24 C ATOM 1200 CZ PHE A 88 25.167 -6.040 14.026 1.00 41.41 C ATOM 0 H PHE A 88 24.499 -6.372 9.297 1.00 53.33 H new ATOM 0 HA PHE A 88 22.690 -4.088 9.810 1.00 4.44 H new ATOM 0 HB2 PHE A 88 25.714 -4.004 9.769 1.00 65.32 H new ATOM 0 HB3 PHE A 88 24.601 -2.880 10.524 1.00 65.32 H new ATOM 0 HD1 PHE A 88 22.927 -4.235 12.273 1.00 14.30 H new ATOM 0 HD2 PHE A 88 26.929 -5.282 11.257 1.00 53.21 H new ATOM 0 HE1 PHE A 88 23.151 -5.438 14.403 1.00 20.03 H new ATOM 0 HE2 PHE A 88 27.156 -6.486 13.386 1.00 71.24 H new ATOM 0 HZ PHE A 88 25.265 -6.572 14.961 1.00 41.41 H new ATOM 1210 N LYS A 89 24.240 -4.865 7.118 1.00 54.20 N ATOM 1211 CA LYS A 89 24.453 -4.520 5.717 1.00 1.15 C ATOM 1212 C LYS A 89 23.525 -5.323 4.812 1.00 54.52 C ATOM 1213 O LYS A 89 23.956 -6.189 4.051 1.00 45.32 O ATOM 1214 CB LYS A 89 25.910 -4.773 5.325 1.00 63.41 C ATOM 1215 CG LYS A 89 26.903 -4.444 6.426 1.00 21.13 C ATOM 1216 CD LYS A 89 26.952 -2.951 6.705 1.00 70.21 C ATOM 1217 CE LYS A 89 27.705 -2.649 7.991 1.00 3.32 C ATOM 1218 NZ LYS A 89 29.025 -3.337 8.036 1.00 43.42 N ATOM 0 H LYS A 89 24.436 -5.839 7.346 1.00 54.20 H new ATOM 0 HA LYS A 89 24.228 -3.461 5.591 1.00 1.15 H new ATOM 0 HB2 LYS A 89 26.025 -5.820 5.045 1.00 63.41 H new ATOM 0 HB3 LYS A 89 26.148 -4.179 4.443 1.00 63.41 H new ATOM 0 HG2 LYS A 89 26.628 -4.976 7.336 1.00 21.13 H new ATOM 0 HG3 LYS A 89 27.895 -4.794 6.139 1.00 21.13 H new ATOM 0 HD2 LYS A 89 27.434 -2.440 5.872 1.00 70.21 H new ATOM 0 HD3 LYS A 89 25.937 -2.559 6.776 1.00 70.21 H new ATOM 0 HE2 LYS A 89 27.853 -1.573 8.081 1.00 3.32 H new ATOM 0 HE3 LYS A 89 27.104 -2.960 8.845 1.00 3.32 H new ATOM 0 HZ1 LYS A 89 29.597 -2.941 8.809 1.00 43.42 H new ATOM 0 HZ2 LYS A 89 28.881 -4.354 8.198 1.00 43.42 H new ATOM 0 HZ3 LYS A 89 29.521 -3.197 7.132 1.00 43.42 H new ATOM 1232 N PRO A 90 22.218 -5.029 4.893 1.00 43.03 N ATOM 1233 CA PRO A 90 21.202 -5.711 4.086 1.00 62.03 C ATOM 1234 C PRO A 90 21.293 -5.345 2.608 1.00 2.43 C ATOM 1235 O PRO A 90 21.650 -4.219 2.258 1.00 73.43 O ATOM 1236 CB PRO A 90 19.883 -5.212 4.680 1.00 0.42 C ATOM 1237 CG PRO A 90 20.216 -3.892 5.287 1.00 62.24 C ATOM 1238 CD PRO A 90 21.633 -4.008 5.778 1.00 73.21 C ATOM 0 HA PRO A 90 21.317 -6.794 4.118 1.00 62.03 H new ATOM 0 HB2 PRO A 90 19.116 -5.112 3.912 1.00 0.42 H new ATOM 0 HB3 PRO A 90 19.498 -5.906 5.427 1.00 0.42 H new ATOM 0 HG2 PRO A 90 20.121 -3.090 4.554 1.00 62.24 H new ATOM 0 HG3 PRO A 90 19.537 -3.657 6.107 1.00 62.24 H new ATOM 0 HD2 PRO A 90 22.164 -3.059 5.702 1.00 73.21 H new ATOM 0 HD3 PRO A 90 21.672 -4.313 6.824 1.00 73.21 H new ATOM 1246 N LYS A 91 20.968 -6.301 1.745 1.00 24.02 N ATOM 1247 CA LYS A 91 21.011 -6.079 0.305 1.00 65.33 C ATOM 1248 C LYS A 91 19.754 -5.361 -0.173 1.00 53.30 C ATOM 1249 O LYS A 91 18.725 -5.989 -0.423 1.00 55.20 O ATOM 1250 CB LYS A 91 21.162 -7.412 -0.433 1.00 13.31 C ATOM 1251 CG LYS A 91 21.194 -7.270 -1.945 1.00 12.32 C ATOM 1252 CD LYS A 91 21.894 -8.448 -2.601 1.00 32.12 C ATOM 1253 CE LYS A 91 21.346 -8.717 -3.994 1.00 53.30 C ATOM 1254 NZ LYS A 91 21.927 -9.951 -4.590 1.00 61.32 N ATOM 0 H LYS A 91 20.672 -7.238 2.018 1.00 24.02 H new ATOM 0 HA LYS A 91 21.873 -5.449 0.085 1.00 65.33 H new ATOM 0 HB2 LYS A 91 22.080 -7.899 -0.103 1.00 13.31 H new ATOM 0 HB3 LYS A 91 20.336 -8.067 -0.155 1.00 13.31 H new ATOM 0 HG2 LYS A 91 20.176 -7.193 -2.326 1.00 12.32 H new ATOM 0 HG3 LYS A 91 21.706 -6.346 -2.214 1.00 12.32 H new ATOM 0 HD2 LYS A 91 22.964 -8.249 -2.662 1.00 32.12 H new ATOM 0 HD3 LYS A 91 21.770 -9.337 -1.982 1.00 32.12 H new ATOM 0 HE2 LYS A 91 20.261 -8.813 -3.945 1.00 53.30 H new ATOM 0 HE3 LYS A 91 21.562 -7.866 -4.640 1.00 53.30 H new ATOM 0 HZ1 LYS A 91 21.528 -10.099 -5.539 1.00 61.32 H new ATOM 0 HZ2 LYS A 91 22.960 -9.850 -4.660 1.00 61.32 H new ATOM 0 HZ3 LYS A 91 21.700 -10.768 -3.988 1.00 61.32 H new ATOM 1268 N CYS A 92 19.844 -4.041 -0.299 1.00 54.12 N ATOM 1269 CA CYS A 92 18.714 -3.236 -0.748 1.00 72.41 C ATOM 1270 C CYS A 92 18.880 -2.834 -2.211 1.00 14.24 C ATOM 1271 O CYS A 92 19.634 -1.915 -2.530 1.00 31.53 O ATOM 1272 CB CYS A 92 18.572 -1.987 0.123 1.00 3.14 C ATOM 1273 SG CYS A 92 17.136 -0.947 -0.295 1.00 21.31 S ATOM 0 H CYS A 92 20.688 -3.506 -0.096 1.00 54.12 H new ATOM 0 HA CYS A 92 17.811 -3.839 -0.655 1.00 72.41 H new ATOM 0 HB2 CYS A 92 18.494 -2.292 1.167 1.00 3.14 H new ATOM 0 HB3 CYS A 92 19.479 -1.389 0.032 1.00 3.14 H new ATOM 1278 N GLU A 93 18.169 -3.528 -3.094 1.00 50.01 N ATOM 1279 CA GLU A 93 18.238 -3.243 -4.522 1.00 43.24 C ATOM 1280 C GLU A 93 16.885 -2.776 -5.050 1.00 72.03 C ATOM 1281 O GLU A 93 15.881 -2.811 -4.338 1.00 25.25 O ATOM 1282 CB GLU A 93 18.698 -4.484 -5.291 1.00 54.51 C ATOM 1283 CG GLU A 93 20.086 -4.962 -4.901 1.00 41.33 C ATOM 1284 CD GLU A 93 21.180 -4.022 -5.370 1.00 12.30 C ATOM 1285 OE1 GLU A 93 20.846 -2.936 -5.890 1.00 33.41 O ATOM 1286 OE2 GLU A 93 22.369 -4.371 -5.217 1.00 52.03 O ATOM 0 H GLU A 93 17.539 -4.291 -2.846 1.00 50.01 H new ATOM 0 HA GLU A 93 18.962 -2.443 -4.672 1.00 43.24 H new ATOM 0 HB2 GLU A 93 17.985 -5.291 -5.122 1.00 54.51 H new ATOM 0 HB3 GLU A 93 18.685 -4.265 -6.359 1.00 54.51 H new ATOM 0 HG2 GLU A 93 20.140 -5.064 -3.817 1.00 41.33 H new ATOM 0 HG3 GLU A 93 20.257 -5.952 -5.323 1.00 41.33 H new ATOM 1293 N LYS A 94 16.865 -2.338 -6.305 1.00 33.14 N ATOM 1294 CA LYS A 94 15.636 -1.864 -6.931 1.00 30.44 C ATOM 1295 C LYS A 94 15.092 -2.897 -7.912 1.00 63.44 C ATOM 1296 O LYS A 94 15.653 -3.098 -8.990 1.00 62.31 O ATOM 1297 CB LYS A 94 15.886 -0.539 -7.654 1.00 70.44 C ATOM 1298 CG LYS A 94 15.217 0.652 -6.991 1.00 22.14 C ATOM 1299 CD LYS A 94 15.355 1.909 -7.832 1.00 44.43 C ATOM 1300 CE LYS A 94 16.815 2.285 -8.038 1.00 70.54 C ATOM 1301 NZ LYS A 94 17.048 3.740 -7.829 1.00 4.32 N ATOM 0 H LYS A 94 17.686 -2.302 -6.909 1.00 33.14 H new ATOM 0 HA LYS A 94 14.895 -1.708 -6.147 1.00 30.44 H new ATOM 0 HB2 LYS A 94 16.960 -0.360 -7.705 1.00 70.44 H new ATOM 0 HB3 LYS A 94 15.528 -0.622 -8.680 1.00 70.44 H new ATOM 0 HG2 LYS A 94 14.161 0.435 -6.831 1.00 22.14 H new ATOM 0 HG3 LYS A 94 15.660 0.820 -6.009 1.00 22.14 H new ATOM 0 HD2 LYS A 94 14.878 1.755 -8.800 1.00 44.43 H new ATOM 0 HD3 LYS A 94 14.831 2.732 -7.346 1.00 44.43 H new ATOM 0 HE2 LYS A 94 17.438 1.715 -7.348 1.00 70.54 H new ATOM 0 HE3 LYS A 94 17.122 2.009 -9.047 1.00 70.54 H new ATOM 0 HZ1 LYS A 94 18.054 3.955 -7.979 1.00 4.32 H new ATOM 0 HZ2 LYS A 94 16.473 4.284 -8.504 1.00 4.32 H new ATOM 0 HZ3 LYS A 94 16.779 3.999 -6.858 1.00 4.32 H new ATOM 1315 N ILE A 95 13.998 -3.548 -7.534 1.00 35.14 N ATOM 1316 CA ILE A 95 13.378 -4.558 -8.382 1.00 55.04 C ATOM 1317 C ILE A 95 12.315 -3.940 -9.285 1.00 71.40 C ATOM 1318 O ILE A 95 11.294 -3.446 -8.810 1.00 14.12 O ATOM 1319 CB ILE A 95 12.735 -5.680 -7.545 1.00 40.32 C ATOM 1320 CG1 ILE A 95 13.812 -6.469 -6.798 1.00 0.11 C ATOM 1321 CG2 ILE A 95 11.916 -6.603 -8.436 1.00 5.43 C ATOM 1322 CD1 ILE A 95 14.170 -5.878 -5.452 1.00 75.11 C ATOM 0 H ILE A 95 13.522 -3.394 -6.645 1.00 35.14 H new ATOM 0 HA ILE A 95 14.171 -4.984 -8.996 1.00 55.04 H new ATOM 0 HB ILE A 95 12.067 -5.229 -6.811 1.00 40.32 H new ATOM 0 HG12 ILE A 95 13.468 -7.493 -6.656 1.00 0.11 H new ATOM 0 HG13 ILE A 95 14.709 -6.517 -7.415 1.00 0.11 H new ATOM 0 HG21 ILE A 95 11.468 -7.391 -7.830 1.00 5.43 H new ATOM 0 HG22 ILE A 95 11.129 -6.031 -8.927 1.00 5.43 H new ATOM 0 HG23 ILE A 95 12.564 -7.050 -9.190 1.00 5.43 H new ATOM 0 HD11 ILE A 95 14.939 -6.489 -4.979 1.00 75.11 H new ATOM 0 HD12 ILE A 95 14.545 -4.864 -5.588 1.00 75.11 H new ATOM 0 HD13 ILE A 95 13.284 -5.855 -4.817 1.00 75.11 H new ATOM 1334 N ASN A 96 12.563 -3.974 -10.590 1.00 74.54 N ATOM 1335 CA ASN A 96 11.626 -3.419 -11.561 1.00 22.12 C ATOM 1336 C ASN A 96 11.471 -1.914 -11.367 1.00 10.31 C ATOM 1337 O ASN A 96 10.473 -1.324 -11.779 1.00 1.22 O ATOM 1338 CB ASN A 96 10.264 -4.104 -11.436 1.00 13.14 C ATOM 1339 CG ASN A 96 9.384 -3.866 -12.647 1.00 54.05 C ATOM 1340 OD1 ASN A 96 9.582 -4.472 -13.701 1.00 15.22 O ATOM 1341 ND2 ASN A 96 8.405 -2.980 -12.503 1.00 42.21 N ATOM 0 H ASN A 96 13.404 -4.380 -11.000 1.00 74.54 H new ATOM 0 HA ASN A 96 12.025 -3.600 -12.559 1.00 22.12 H new ATOM 0 HB2 ASN A 96 10.410 -5.176 -11.302 1.00 13.14 H new ATOM 0 HB3 ASN A 96 9.756 -3.737 -10.544 1.00 13.14 H new ATOM 0 HD21 ASN A 96 7.781 -2.778 -13.284 1.00 42.21 H new ATOM 0 HD22 ASN A 96 8.278 -2.501 -11.611 1.00 42.21 H new ATOM 1348 N GLY A 97 12.467 -1.298 -10.737 1.00 12.32 N ATOM 1349 CA GLY A 97 12.422 0.133 -10.500 1.00 10.33 C ATOM 1350 C GLY A 97 11.808 0.480 -9.158 1.00 22.33 C ATOM 1351 O GLY A 97 11.395 1.617 -8.933 1.00 20.45 O ATOM 0 H GLY A 97 13.304 -1.764 -10.387 1.00 12.32 H new ATOM 0 HA2 GLY A 97 13.433 0.538 -10.549 1.00 10.33 H new ATOM 0 HA3 GLY A 97 11.848 0.612 -11.293 1.00 10.33 H new ATOM 1355 N GLU A 98 11.747 -0.504 -8.265 1.00 40.41 N ATOM 1356 CA GLU A 98 11.176 -0.296 -6.939 1.00 64.43 C ATOM 1357 C GLU A 98 12.179 -0.669 -5.851 1.00 43.50 C ATOM 1358 O GLU A 98 12.616 -1.816 -5.760 1.00 74.22 O ATOM 1359 CB GLU A 98 9.899 -1.122 -6.775 1.00 32.31 C ATOM 1360 CG GLU A 98 8.849 -0.838 -7.836 1.00 44.12 C ATOM 1361 CD GLU A 98 7.631 -1.732 -7.706 1.00 43.25 C ATOM 1362 OE1 GLU A 98 7.680 -2.875 -8.206 1.00 73.41 O ATOM 1363 OE2 GLU A 98 6.630 -1.288 -7.106 1.00 64.21 O ATOM 0 H GLU A 98 12.085 -1.451 -8.436 1.00 40.41 H new ATOM 0 HA GLU A 98 10.932 0.761 -6.838 1.00 64.43 H new ATOM 0 HB2 GLU A 98 10.155 -2.181 -6.804 1.00 32.31 H new ATOM 0 HB3 GLU A 98 9.472 -0.924 -5.792 1.00 32.31 H new ATOM 0 HG2 GLU A 98 8.539 0.205 -7.765 1.00 44.12 H new ATOM 0 HG3 GLU A 98 9.290 -0.973 -8.824 1.00 44.12 H new ATOM 1370 N ASP A 99 12.541 0.310 -5.028 1.00 75.13 N ATOM 1371 CA ASP A 99 13.491 0.086 -3.946 1.00 5.44 C ATOM 1372 C ASP A 99 12.956 -0.945 -2.957 1.00 5.44 C ATOM 1373 O ASP A 99 11.956 -0.709 -2.280 1.00 74.25 O ATOM 1374 CB ASP A 99 13.790 1.400 -3.221 1.00 33.22 C ATOM 1375 CG ASP A 99 14.867 2.211 -3.913 1.00 2.31 C ATOM 1376 OD1 ASP A 99 16.025 1.747 -3.953 1.00 25.23 O ATOM 1377 OD2 ASP A 99 14.552 3.311 -4.414 1.00 3.31 O ATOM 0 H ASP A 99 12.190 1.266 -5.090 1.00 75.13 H new ATOM 0 HA ASP A 99 14.414 -0.299 -4.380 1.00 5.44 H new ATOM 0 HB2 ASP A 99 12.877 1.993 -3.158 1.00 33.22 H new ATOM 0 HB3 ASP A 99 14.102 1.185 -2.199 1.00 33.22 H new ATOM 1382 N MET A 100 13.630 -2.088 -2.879 1.00 0.41 N ATOM 1383 CA MET A 100 13.222 -3.155 -1.972 1.00 51.54 C ATOM 1384 C MET A 100 14.408 -3.659 -1.157 1.00 4.41 C ATOM 1385 O MET A 100 15.560 -3.340 -1.455 1.00 74.23 O ATOM 1386 CB MET A 100 12.600 -4.311 -2.758 1.00 43.32 C ATOM 1387 CG MET A 100 11.703 -3.857 -3.898 1.00 70.44 C ATOM 1388 SD MET A 100 10.128 -4.735 -3.934 1.00 65.33 S ATOM 1389 CE MET A 100 10.558 -6.161 -4.930 1.00 4.21 C ATOM 0 H MET A 100 14.460 -2.299 -3.432 1.00 0.41 H new ATOM 0 HA MET A 100 12.478 -2.750 -1.286 1.00 51.54 H new ATOM 0 HB2 MET A 100 13.397 -4.936 -3.160 1.00 43.32 H new ATOM 0 HB3 MET A 100 12.020 -4.933 -2.076 1.00 43.32 H new ATOM 0 HG2 MET A 100 11.516 -2.787 -3.804 1.00 70.44 H new ATOM 0 HG3 MET A 100 12.221 -4.008 -4.845 1.00 70.44 H new ATOM 0 HE1 MET A 100 10.154 -7.062 -4.469 1.00 4.21 H new ATOM 0 HE2 MET A 100 10.139 -6.046 -5.930 1.00 4.21 H new ATOM 0 HE3 MET A 100 11.643 -6.243 -4.998 1.00 4.21 H new ATOM 1399 N VAL A 101 14.120 -4.446 -0.126 1.00 22.52 N ATOM 1400 CA VAL A 101 15.164 -4.995 0.732 1.00 34.02 C ATOM 1401 C VAL A 101 15.178 -6.518 0.674 1.00 23.43 C ATOM 1402 O VAL A 101 14.178 -7.146 0.326 1.00 63.53 O ATOM 1403 CB VAL A 101 14.979 -4.550 2.195 1.00 1.41 C ATOM 1404 CG1 VAL A 101 14.950 -3.032 2.292 1.00 51.13 C ATOM 1405 CG2 VAL A 101 13.711 -5.154 2.780 1.00 43.23 C ATOM 0 H VAL A 101 13.172 -4.718 0.136 1.00 22.52 H new ATOM 0 HA VAL A 101 16.114 -4.611 0.360 1.00 34.02 H new ATOM 0 HB VAL A 101 15.827 -4.911 2.776 1.00 1.41 H new ATOM 0 HG11 VAL A 101 14.819 -2.736 3.333 1.00 51.13 H new ATOM 0 HG12 VAL A 101 15.888 -2.625 1.915 1.00 51.13 H new ATOM 0 HG13 VAL A 101 14.122 -2.645 1.698 1.00 51.13 H new ATOM 0 HG21 VAL A 101 13.597 -4.829 3.814 1.00 43.23 H new ATOM 0 HG22 VAL A 101 12.850 -4.825 2.199 1.00 43.23 H new ATOM 0 HG23 VAL A 101 13.777 -6.241 2.747 1.00 43.23 H new ATOM 1415 N TYR A 102 16.318 -7.107 1.018 1.00 3.15 N ATOM 1416 CA TYR A 102 16.464 -8.558 1.004 1.00 44.50 C ATOM 1417 C TYR A 102 16.702 -9.095 2.412 1.00 64.22 C ATOM 1418 O TYR A 102 17.827 -9.077 2.914 1.00 31.43 O ATOM 1419 CB TYR A 102 17.619 -8.966 0.088 1.00 5.41 C ATOM 1420 CG TYR A 102 17.202 -9.194 -1.347 1.00 64.42 C ATOM 1421 CD1 TYR A 102 16.413 -10.283 -1.697 1.00 64.11 C ATOM 1422 CD2 TYR A 102 17.597 -8.321 -2.353 1.00 51.13 C ATOM 1423 CE1 TYR A 102 16.031 -10.496 -3.007 1.00 72.22 C ATOM 1424 CE2 TYR A 102 17.218 -8.525 -3.666 1.00 32.41 C ATOM 1425 CZ TYR A 102 16.435 -9.615 -3.988 1.00 2.41 C ATOM 1426 OH TYR A 102 16.055 -9.823 -5.294 1.00 0.30 O ATOM 0 H TYR A 102 17.155 -6.602 1.310 1.00 3.15 H new ATOM 0 HA TYR A 102 15.538 -8.988 0.623 1.00 44.50 H new ATOM 0 HB2 TYR A 102 18.385 -8.191 0.116 1.00 5.41 H new ATOM 0 HB3 TYR A 102 18.074 -9.878 0.475 1.00 5.41 H new ATOM 0 HD1 TYR A 102 16.093 -10.975 -0.932 1.00 64.11 H new ATOM 0 HD2 TYR A 102 18.211 -7.468 -2.104 1.00 51.13 H new ATOM 0 HE1 TYR A 102 15.419 -11.348 -3.262 1.00 72.22 H new ATOM 0 HE2 TYR A 102 17.533 -7.836 -4.436 1.00 32.41 H new ATOM 0 HH TYR A 102 16.422 -9.111 -5.859 1.00 0.30 H new ATOM 1436 N LEU A 103 15.636 -9.574 3.043 1.00 1.31 N ATOM 1437 CA LEU A 103 15.727 -10.118 4.393 1.00 32.25 C ATOM 1438 C LEU A 103 16.781 -11.218 4.467 1.00 33.43 C ATOM 1439 O LEU A 103 17.078 -11.894 3.482 1.00 30.31 O ATOM 1440 CB LEU A 103 14.369 -10.666 4.836 1.00 70.31 C ATOM 1441 CG LEU A 103 13.935 -11.984 4.193 1.00 63.11 C ATOM 1442 CD1 LEU A 103 14.118 -11.927 2.684 1.00 32.41 C ATOM 1443 CD2 LEU A 103 14.718 -13.148 4.783 1.00 35.41 C ATOM 0 H LEU A 103 14.699 -9.597 2.641 1.00 1.31 H new ATOM 0 HA LEU A 103 16.023 -9.311 5.064 1.00 32.25 H new ATOM 0 HB2 LEU A 103 14.390 -10.802 5.917 1.00 70.31 H new ATOM 0 HB3 LEU A 103 13.609 -9.914 4.624 1.00 70.31 H new ATOM 0 HG LEU A 103 12.877 -12.139 4.405 1.00 63.11 H new ATOM 0 HD11 LEU A 103 13.804 -12.873 2.243 1.00 32.41 H new ATOM 0 HD12 LEU A 103 13.513 -11.118 2.274 1.00 32.41 H new ATOM 0 HD13 LEU A 103 15.168 -11.749 2.451 1.00 32.41 H new ATOM 0 HD21 LEU A 103 14.396 -14.078 4.314 1.00 35.41 H new ATOM 0 HD22 LEU A 103 15.783 -13.000 4.602 1.00 35.41 H new ATOM 0 HD23 LEU A 103 14.537 -13.201 5.856 1.00 35.41 H new ATOM 1455 N PRO A 104 17.359 -11.405 5.663 1.00 34.32 N ATOM 1456 CA PRO A 104 18.386 -12.425 5.895 1.00 2.31 C ATOM 1457 C PRO A 104 17.822 -13.840 5.837 1.00 21.21 C ATOM 1458 O PRO A 104 16.795 -14.135 6.449 1.00 65.01 O ATOM 1459 CB PRO A 104 18.889 -12.107 7.306 1.00 41.05 C ATOM 1460 CG PRO A 104 17.750 -11.410 7.966 1.00 71.21 C ATOM 1461 CD PRO A 104 17.053 -10.636 6.881 1.00 20.22 C ATOM 0 HA PRO A 104 19.165 -12.399 5.133 1.00 2.31 H new ATOM 0 HB2 PRO A 104 19.162 -13.015 7.843 1.00 41.05 H new ATOM 0 HB3 PRO A 104 19.777 -11.475 7.277 1.00 41.05 H new ATOM 0 HG2 PRO A 104 17.072 -12.125 8.432 1.00 71.21 H new ATOM 0 HG3 PRO A 104 18.103 -10.745 8.754 1.00 71.21 H new ATOM 0 HD2 PRO A 104 15.979 -10.574 7.058 1.00 20.22 H new ATOM 0 HD3 PRO A 104 17.425 -9.613 6.815 1.00 20.22 H new ATOM 1469 N SER A 105 18.500 -14.713 5.098 1.00 11.40 N ATOM 1470 CA SER A 105 18.064 -16.097 4.958 1.00 70.13 C ATOM 1471 C SER A 105 18.172 -16.838 6.287 1.00 63.11 C ATOM 1472 O SER A 105 19.011 -16.510 7.127 1.00 73.22 O ATOM 1473 CB SER A 105 18.899 -16.811 3.893 1.00 32.40 C ATOM 1474 OG SER A 105 18.783 -16.166 2.637 1.00 62.23 O ATOM 0 H SER A 105 19.353 -14.486 4.587 1.00 11.40 H new ATOM 0 HA SER A 105 17.019 -16.094 4.648 1.00 70.13 H new ATOM 0 HB2 SER A 105 19.945 -16.831 4.200 1.00 32.40 H new ATOM 0 HB3 SER A 105 18.572 -17.847 3.805 1.00 32.40 H new ATOM 0 HG SER A 105 19.327 -16.640 1.974 1.00 62.23 H new ATOM 1480 N TYR A 106 17.318 -17.839 6.470 1.00 1.21 N ATOM 1481 CA TYR A 106 17.315 -18.626 7.698 1.00 51.25 C ATOM 1482 C TYR A 106 18.703 -19.188 7.988 1.00 60.55 C ATOM 1483 O TYR A 106 19.109 -19.302 9.144 1.00 71.14 O ATOM 1484 CB TYR A 106 16.301 -19.767 7.594 1.00 44.31 C ATOM 1485 CG TYR A 106 16.777 -20.923 6.744 1.00 75.50 C ATOM 1486 CD1 TYR A 106 16.993 -20.766 5.380 1.00 31.04 C ATOM 1487 CD2 TYR A 106 17.008 -22.174 7.304 1.00 41.32 C ATOM 1488 CE1 TYR A 106 17.426 -21.820 4.600 1.00 64.14 C ATOM 1489 CE2 TYR A 106 17.443 -23.233 6.531 1.00 11.11 C ATOM 1490 CZ TYR A 106 17.650 -23.051 5.180 1.00 64.34 C ATOM 1491 OH TYR A 106 18.082 -24.104 4.406 1.00 22.41 O ATOM 0 H TYR A 106 16.619 -18.125 5.784 1.00 1.21 H new ATOM 0 HA TYR A 106 17.030 -17.970 8.520 1.00 51.25 H new ATOM 0 HB2 TYR A 106 16.074 -20.132 8.595 1.00 44.31 H new ATOM 0 HB3 TYR A 106 15.371 -19.379 7.178 1.00 44.31 H new ATOM 0 HD1 TYR A 106 16.819 -19.803 4.922 1.00 31.04 H new ATOM 0 HD2 TYR A 106 16.845 -22.321 8.361 1.00 41.32 H new ATOM 0 HE1 TYR A 106 17.588 -21.681 3.541 1.00 64.14 H new ATOM 0 HE2 TYR A 106 17.620 -24.198 6.982 1.00 11.11 H new ATOM 0 HH TYR A 106 18.192 -24.899 4.968 1.00 22.41 H new ATOM 1501 N GLU A 107 19.426 -19.538 6.928 1.00 31.31 N ATOM 1502 CA GLU A 107 20.769 -20.089 7.068 1.00 34.35 C ATOM 1503 C GLU A 107 21.727 -19.049 7.641 1.00 53.40 C ATOM 1504 O GLU A 107 22.409 -19.298 8.635 1.00 54.34 O ATOM 1505 CB GLU A 107 21.285 -20.584 5.716 1.00 72.32 C ATOM 1506 CG GLU A 107 21.705 -22.044 5.722 1.00 24.30 C ATOM 1507 CD GLU A 107 23.117 -22.247 5.207 1.00 2.00 C ATOM 1508 OE1 GLU A 107 23.282 -22.429 3.983 1.00 63.41 O ATOM 1509 OE2 GLU A 107 24.057 -22.223 6.029 1.00 1.31 O ATOM 0 H GLU A 107 19.104 -19.450 5.964 1.00 31.31 H new ATOM 0 HA GLU A 107 20.718 -20.930 7.759 1.00 34.35 H new ATOM 0 HB2 GLU A 107 20.507 -20.442 4.966 1.00 72.32 H new ATOM 0 HB3 GLU A 107 22.135 -19.972 5.415 1.00 72.32 H new ATOM 0 HG2 GLU A 107 21.633 -22.435 6.737 1.00 24.30 H new ATOM 0 HG3 GLU A 107 21.012 -22.620 5.109 1.00 24.30 H new ATOM 1516 N MET A 108 21.772 -17.882 7.006 1.00 62.23 N ATOM 1517 CA MET A 108 22.646 -16.803 7.452 1.00 70.12 C ATOM 1518 C MET A 108 22.449 -16.524 8.938 1.00 4.25 C ATOM 1519 O MET A 108 23.416 -16.338 9.679 1.00 72.23 O ATOM 1520 CB MET A 108 22.377 -15.533 6.642 1.00 4.05 C ATOM 1521 CG MET A 108 22.746 -15.659 5.173 1.00 31.32 C ATOM 1522 SD MET A 108 24.525 -15.577 4.894 1.00 64.11 S ATOM 1523 CE MET A 108 24.801 -13.809 4.983 1.00 73.52 C ATOM 0 H MET A 108 21.214 -17.660 6.182 1.00 62.23 H new ATOM 0 HA MET A 108 23.678 -17.115 7.293 1.00 70.12 H new ATOM 0 HB2 MET A 108 21.320 -15.278 6.722 1.00 4.05 H new ATOM 0 HB3 MET A 108 22.938 -14.707 7.080 1.00 4.05 H new ATOM 0 HG2 MET A 108 22.365 -16.604 4.787 1.00 31.32 H new ATOM 0 HG3 MET A 108 22.257 -14.864 4.610 1.00 31.32 H new ATOM 0 HE1 MET A 108 25.859 -13.598 4.829 1.00 73.52 H new ATOM 0 HE2 MET A 108 24.215 -13.310 4.211 1.00 73.52 H new ATOM 0 HE3 MET A 108 24.496 -13.442 5.963 1.00 73.52 H new ATOM 1533 N CYS A 109 21.193 -16.495 9.369 1.00 13.04 N ATOM 1534 CA CYS A 109 20.869 -16.238 10.767 1.00 11.44 C ATOM 1535 C CYS A 109 21.072 -17.492 11.613 1.00 45.43 C ATOM 1536 O CYS A 109 21.290 -17.409 12.822 1.00 73.13 O ATOM 1537 CB CYS A 109 19.424 -15.751 10.897 1.00 62.03 C ATOM 1538 SG CYS A 109 18.841 -15.602 12.616 1.00 11.21 S ATOM 0 H CYS A 109 20.382 -16.646 8.770 1.00 13.04 H new ATOM 0 HA CYS A 109 21.542 -15.462 11.132 1.00 11.44 H new ATOM 0 HB2 CYS A 109 19.334 -14.781 10.409 1.00 62.03 H new ATOM 0 HB3 CYS A 109 18.770 -16.439 10.361 1.00 62.03 H new ATOM 1543 N ARG A 110 21.001 -18.651 10.968 1.00 72.34 N ATOM 1544 CA ARG A 110 21.176 -19.923 11.660 1.00 41.54 C ATOM 1545 C ARG A 110 22.636 -20.132 12.050 1.00 63.33 C ATOM 1546 O ARG A 110 22.939 -20.874 12.985 1.00 74.10 O ATOM 1547 CB ARG A 110 20.702 -21.078 10.776 1.00 22.01 C ATOM 1548 CG ARG A 110 21.101 -22.448 11.299 1.00 22.14 C ATOM 1549 CD ARG A 110 22.431 -22.901 10.717 1.00 31.20 C ATOM 1550 NE ARG A 110 22.408 -24.310 10.331 1.00 1.44 N ATOM 1551 CZ ARG A 110 23.357 -24.888 9.603 1.00 10.34 C ATOM 1552 NH1 ARG A 110 24.398 -24.182 9.185 1.00 65.02 N ATOM 1553 NH2 ARG A 110 23.265 -26.175 9.293 1.00 4.41 N ATOM 0 H ARG A 110 20.824 -18.736 9.967 1.00 72.34 H new ATOM 0 HA ARG A 110 20.575 -19.900 12.569 1.00 41.54 H new ATOM 0 HB2 ARG A 110 19.617 -21.034 10.687 1.00 22.01 H new ATOM 0 HB3 ARG A 110 21.110 -20.948 9.773 1.00 22.01 H new ATOM 0 HG2 ARG A 110 21.170 -22.418 12.386 1.00 22.14 H new ATOM 0 HG3 ARG A 110 20.327 -23.174 11.049 1.00 22.14 H new ATOM 0 HD2 ARG A 110 22.673 -22.291 9.847 1.00 31.20 H new ATOM 0 HD3 ARG A 110 23.221 -22.739 11.450 1.00 31.20 H new ATOM 0 HE ARG A 110 21.620 -24.881 10.637 1.00 1.44 H new ATOM 0 HH11 ARG A 110 24.472 -23.193 9.422 1.00 65.02 H new ATOM 0 HH12 ARG A 110 25.125 -24.628 8.626 1.00 65.02 H new ATOM 0 HH21 ARG A 110 22.465 -26.721 9.614 1.00 4.41 H new ATOM 0 HH22 ARG A 110 23.994 -26.618 8.734 1.00 4.41 H new ATOM 1567 N ILE A 111 23.537 -19.475 11.327 1.00 53.11 N ATOM 1568 CA ILE A 111 24.964 -19.589 11.598 1.00 63.10 C ATOM 1569 C ILE A 111 25.270 -19.300 13.064 1.00 44.24 C ATOM 1570 O ILE A 111 26.221 -19.840 13.630 1.00 63.12 O ATOM 1571 CB ILE A 111 25.784 -18.629 10.715 1.00 74.51 C ATOM 1572 CG1 ILE A 111 25.366 -18.768 9.249 1.00 21.25 C ATOM 1573 CG2 ILE A 111 27.272 -18.902 10.875 1.00 33.25 C ATOM 1574 CD1 ILE A 111 25.327 -20.201 8.765 1.00 3.32 C ATOM 0 H ILE A 111 23.303 -18.858 10.549 1.00 53.11 H new ATOM 0 HA ILE A 111 25.248 -20.615 11.365 1.00 63.10 H new ATOM 0 HB ILE A 111 25.586 -17.606 11.035 1.00 74.51 H new ATOM 0 HG12 ILE A 111 24.381 -18.321 9.117 1.00 21.25 H new ATOM 0 HG13 ILE A 111 26.059 -18.202 8.627 1.00 21.25 H new ATOM 0 HG21 ILE A 111 27.838 -18.216 10.245 1.00 33.25 H new ATOM 0 HG22 ILE A 111 27.558 -18.758 11.917 1.00 33.25 H new ATOM 0 HG23 ILE A 111 27.488 -19.928 10.578 1.00 33.25 H new ATOM 0 HD11 ILE A 111 25.023 -20.223 7.718 1.00 3.32 H new ATOM 0 HD12 ILE A 111 26.317 -20.646 8.865 1.00 3.32 H new ATOM 0 HD13 ILE A 111 24.613 -20.768 9.362 1.00 3.32 H new ATOM 1586 N THR A 112 24.457 -18.444 13.675 1.00 72.22 N ATOM 1587 CA THR A 112 24.639 -18.083 15.075 1.00 45.02 C ATOM 1588 C THR A 112 23.833 -18.998 15.989 1.00 73.44 C ATOM 1589 O THR A 112 24.091 -19.077 17.189 1.00 1.42 O ATOM 1590 CB THR A 112 24.227 -16.622 15.337 1.00 60.14 C ATOM 1591 OG1 THR A 112 22.866 -16.419 14.940 1.00 2.22 O ATOM 1592 CG2 THR A 112 25.130 -15.661 14.579 1.00 43.21 C ATOM 0 H THR A 112 23.665 -17.988 13.222 1.00 72.22 H new ATOM 0 HA THR A 112 25.700 -18.199 15.295 1.00 45.02 H new ATOM 0 HB THR A 112 24.328 -16.425 16.404 1.00 60.14 H new ATOM 0 HG1 THR A 112 22.611 -15.488 15.111 1.00 2.22 H new ATOM 0 HG21 THR A 112 24.820 -14.635 14.780 1.00 43.21 H new ATOM 0 HG22 THR A 112 26.161 -15.798 14.904 1.00 43.21 H new ATOM 0 HG23 THR A 112 25.057 -15.860 13.510 1.00 43.21 H new ATOM 1600 N MET A 113 22.855 -19.690 15.412 1.00 11.31 N ATOM 1601 CA MET A 113 22.011 -20.602 16.176 1.00 44.22 C ATOM 1602 C MET A 113 22.796 -21.838 16.604 1.00 72.23 C ATOM 1603 O MET A 113 22.555 -22.397 17.673 1.00 32.01 O ATOM 1604 CB MET A 113 20.793 -21.017 15.349 1.00 63.33 C ATOM 1605 CG MET A 113 19.576 -20.135 15.574 1.00 62.00 C ATOM 1606 SD MET A 113 18.170 -20.619 14.555 1.00 54.53 S ATOM 1607 CE MET A 113 18.174 -19.312 13.329 1.00 24.14 C ATOM 0 H MET A 113 22.628 -19.637 14.419 1.00 11.31 H new ATOM 0 HA MET A 113 21.672 -20.081 17.071 1.00 44.22 H new ATOM 0 HB2 MET A 113 21.057 -20.994 14.292 1.00 63.33 H new ATOM 0 HB3 MET A 113 20.534 -22.048 15.591 1.00 63.33 H new ATOM 0 HG2 MET A 113 19.290 -20.178 16.625 1.00 62.00 H new ATOM 0 HG3 MET A 113 19.838 -19.099 15.357 1.00 62.00 H new ATOM 0 HE1 MET A 113 17.226 -18.775 13.367 1.00 24.14 H new ATOM 0 HE2 MET A 113 18.991 -18.621 13.536 1.00 24.14 H new ATOM 0 HE3 MET A 113 18.306 -19.744 12.337 1.00 24.14 H new ATOM 1617 N GLU A 114 23.734 -22.259 15.761 1.00 22.23 N ATOM 1618 CA GLU A 114 24.552 -23.430 16.054 1.00 63.35 C ATOM 1619 C GLU A 114 25.156 -23.337 17.452 1.00 44.13 C ATOM 1620 O GLU A 114 24.895 -24.164 18.325 1.00 32.31 O ATOM 1621 CB GLU A 114 25.665 -23.575 15.014 1.00 44.23 C ATOM 1622 CG GLU A 114 25.447 -24.724 14.044 1.00 54.45 C ATOM 1623 CD GLU A 114 26.506 -25.801 14.167 1.00 63.21 C ATOM 1624 OE1 GLU A 114 26.366 -26.672 15.051 1.00 12.12 O ATOM 1625 OE2 GLU A 114 27.476 -25.774 13.380 1.00 15.12 O ATOM 0 H GLU A 114 23.946 -21.807 14.871 1.00 22.23 H new ATOM 0 HA GLU A 114 23.909 -24.309 16.013 1.00 63.35 H new ATOM 0 HB2 GLU A 114 25.747 -22.646 14.450 1.00 44.23 H new ATOM 0 HB3 GLU A 114 26.615 -23.721 15.529 1.00 44.23 H new ATOM 0 HG2 GLU A 114 24.465 -25.163 14.222 1.00 54.45 H new ATOM 0 HG3 GLU A 114 25.444 -24.338 13.025 1.00 54.45 H new ATOM 1632 N PRO A 115 25.985 -22.305 17.670 1.00 63.11 N ATOM 1633 CA PRO A 115 26.644 -22.078 18.959 1.00 23.15 C ATOM 1634 C PRO A 115 25.663 -21.646 20.044 1.00 41.02 C ATOM 1635 O PRO A 115 25.655 -22.199 21.144 1.00 75.11 O ATOM 1636 CB PRO A 115 27.637 -20.953 18.657 1.00 11.33 C ATOM 1637 CG PRO A 115 27.052 -20.235 17.490 1.00 62.20 C ATOM 1638 CD PRO A 115 26.342 -21.280 16.675 1.00 65.45 C ATOM 0 HA PRO A 115 27.111 -22.985 19.343 1.00 23.15 H new ATOM 0 HB2 PRO A 115 27.754 -20.288 19.513 1.00 11.33 H new ATOM 0 HB3 PRO A 115 28.625 -21.349 18.423 1.00 11.33 H new ATOM 0 HG2 PRO A 115 26.361 -19.458 17.816 1.00 62.20 H new ATOM 0 HG3 PRO A 115 27.829 -19.744 16.904 1.00 62.20 H new ATOM 0 HD2 PRO A 115 25.459 -20.874 16.182 1.00 65.45 H new ATOM 0 HD3 PRO A 115 26.985 -21.685 15.894 1.00 65.45 H new ATOM 1646 N CYS A 116 24.837 -20.655 19.727 1.00 52.23 N ATOM 1647 CA CYS A 116 23.851 -20.148 20.673 1.00 11.15 C ATOM 1648 C CYS A 116 22.466 -20.713 20.371 1.00 30.15 C ATOM 1649 O CYS A 116 21.590 -20.005 19.874 1.00 64.11 O ATOM 1650 CB CYS A 116 23.810 -18.619 20.630 1.00 25.12 C ATOM 1651 SG CYS A 116 25.394 -17.821 21.049 1.00 34.24 S ATOM 0 H CYS A 116 24.831 -20.187 18.821 1.00 52.23 H new ATOM 0 HA CYS A 116 24.145 -20.469 21.672 1.00 11.15 H new ATOM 0 HB2 CYS A 116 23.509 -18.302 19.632 1.00 25.12 H new ATOM 0 HB3 CYS A 116 23.044 -18.267 21.321 1.00 25.12 H new ATOM 1656 N ARG A 117 22.276 -21.993 20.676 1.00 11.42 N ATOM 1657 CA ARG A 117 20.999 -22.653 20.437 1.00 75.42 C ATOM 1658 C ARG A 117 19.894 -22.024 21.282 1.00 64.44 C ATOM 1659 O ARG A 117 18.709 -22.191 20.994 1.00 14.12 O ATOM 1660 CB ARG A 117 21.106 -24.147 20.749 1.00 23.03 C ATOM 1661 CG ARG A 117 19.762 -24.852 20.825 1.00 12.13 C ATOM 1662 CD ARG A 117 19.235 -24.895 22.251 1.00 23.02 C ATOM 1663 NE ARG A 117 18.263 -25.968 22.444 1.00 65.14 N ATOM 1664 CZ ARG A 117 17.759 -26.300 23.627 1.00 3.50 C ATOM 1665 NH1 ARG A 117 18.133 -25.644 24.717 1.00 32.35 N ATOM 1666 NH2 ARG A 117 16.879 -27.288 23.721 1.00 1.03 N ATOM 0 H ARG A 117 22.990 -22.593 21.089 1.00 11.42 H new ATOM 0 HA ARG A 117 20.745 -22.526 19.385 1.00 75.42 H new ATOM 0 HB2 ARG A 117 21.715 -24.627 19.983 1.00 23.03 H new ATOM 0 HB3 ARG A 117 21.628 -24.275 21.697 1.00 23.03 H new ATOM 0 HG2 ARG A 117 19.044 -24.338 20.186 1.00 12.13 H new ATOM 0 HG3 ARG A 117 19.860 -25.868 20.442 1.00 12.13 H new ATOM 0 HD2 ARG A 117 20.068 -25.032 22.941 1.00 23.02 H new ATOM 0 HD3 ARG A 117 18.772 -23.939 22.495 1.00 23.02 H new ATOM 0 HE ARG A 117 17.954 -26.491 21.625 1.00 65.14 H new ATOM 0 HH11 ARG A 117 18.809 -24.883 24.648 1.00 32.35 H new ATOM 0 HH12 ARG A 117 17.745 -25.900 25.625 1.00 32.35 H new ATOM 0 HH21 ARG A 117 16.589 -27.794 22.884 1.00 1.03 H new ATOM 0 HH22 ARG A 117 16.493 -27.542 24.630 1.00 1.03 H new ATOM 1680 N ILE A 118 20.292 -21.303 22.324 1.00 44.32 N ATOM 1681 CA ILE A 118 19.337 -20.649 23.209 1.00 32.03 C ATOM 1682 C ILE A 118 18.425 -19.704 22.433 1.00 25.22 C ATOM 1683 O ILE A 118 17.344 -19.344 22.900 1.00 1.22 O ATOM 1684 CB ILE A 118 20.050 -19.858 24.322 1.00 40.24 C ATOM 1685 CG1 ILE A 118 21.000 -20.772 25.099 1.00 54.31 C ATOM 1686 CG2 ILE A 118 19.031 -19.224 25.257 1.00 25.34 C ATOM 1687 CD1 ILE A 118 20.317 -21.980 25.702 1.00 43.33 C ATOM 0 H ILE A 118 21.269 -21.157 22.576 1.00 44.32 H new ATOM 0 HA ILE A 118 18.737 -21.438 23.663 1.00 32.03 H new ATOM 0 HB ILE A 118 20.637 -19.062 23.864 1.00 40.24 H new ATOM 0 HG12 ILE A 118 21.794 -21.109 24.432 1.00 54.31 H new ATOM 0 HG13 ILE A 118 21.474 -20.198 25.895 1.00 54.31 H new ATOM 0 HG21 ILE A 118 19.550 -18.669 26.038 1.00 25.34 H new ATOM 0 HG22 ILE A 118 18.392 -18.545 24.692 1.00 25.34 H new ATOM 0 HG23 ILE A 118 18.420 -20.004 25.711 1.00 25.34 H new ATOM 0 HD11 ILE A 118 21.050 -22.583 26.238 1.00 43.33 H new ATOM 0 HD12 ILE A 118 19.542 -21.652 26.394 1.00 43.33 H new ATOM 0 HD13 ILE A 118 19.866 -22.577 24.909 1.00 43.33 H new ATOM 1699 N LEU A 119 18.868 -19.308 21.245 1.00 11.51 N ATOM 1700 CA LEU A 119 18.091 -18.405 20.402 1.00 64.53 C ATOM 1701 C LEU A 119 17.225 -19.188 19.420 1.00 63.30 C ATOM 1702 O LEU A 119 16.937 -18.718 18.319 1.00 32.12 O ATOM 1703 CB LEU A 119 19.022 -17.462 19.638 1.00 1.31 C ATOM 1704 CG LEU A 119 20.135 -16.808 20.458 1.00 61.11 C ATOM 1705 CD1 LEU A 119 21.126 -16.102 19.545 1.00 12.15 C ATOM 1706 CD2 LEU A 119 19.550 -15.833 21.469 1.00 22.24 C ATOM 0 H LEU A 119 19.760 -19.597 20.844 1.00 11.51 H new ATOM 0 HA LEU A 119 17.437 -17.817 21.047 1.00 64.53 H new ATOM 0 HB2 LEU A 119 19.480 -18.019 18.821 1.00 1.31 H new ATOM 0 HB3 LEU A 119 18.419 -16.674 19.188 1.00 1.31 H new ATOM 0 HG LEU A 119 20.666 -17.589 21.002 1.00 61.11 H new ATOM 0 HD11 LEU A 119 21.911 -15.643 20.146 1.00 12.15 H new ATOM 0 HD12 LEU A 119 21.569 -16.825 18.861 1.00 12.15 H new ATOM 0 HD13 LEU A 119 20.609 -15.331 18.973 1.00 12.15 H new ATOM 0 HD21 LEU A 119 20.356 -15.377 22.044 1.00 22.24 H new ATOM 0 HD22 LEU A 119 18.993 -15.056 20.945 1.00 22.24 H new ATOM 0 HD23 LEU A 119 18.881 -16.367 22.144 1.00 22.24 H new ATOM 1718 N TYR A 120 16.812 -20.383 19.827 1.00 62.44 N ATOM 1719 CA TYR A 120 15.979 -21.232 18.983 1.00 51.11 C ATOM 1720 C TYR A 120 14.827 -20.435 18.377 1.00 24.03 C ATOM 1721 O TYR A 120 14.382 -20.714 17.265 1.00 63.20 O ATOM 1722 CB TYR A 120 15.430 -22.409 19.791 1.00 12.32 C ATOM 1723 CG TYR A 120 15.283 -22.114 21.267 1.00 50.31 C ATOM 1724 CD1 TYR A 120 14.299 -21.247 21.727 1.00 4.14 C ATOM 1725 CD2 TYR A 120 16.128 -22.701 22.200 1.00 0.34 C ATOM 1726 CE1 TYR A 120 14.162 -20.974 23.075 1.00 52.34 C ATOM 1727 CE2 TYR A 120 15.997 -22.435 23.550 1.00 52.45 C ATOM 1728 CZ TYR A 120 15.012 -21.570 23.982 1.00 65.33 C ATOM 1729 OH TYR A 120 14.879 -21.302 25.325 1.00 44.53 O ATOM 0 H TYR A 120 17.040 -20.786 20.736 1.00 62.44 H new ATOM 0 HA TYR A 120 16.599 -21.614 18.172 1.00 51.11 H new ATOM 0 HB2 TYR A 120 14.458 -22.694 19.387 1.00 12.32 H new ATOM 0 HB3 TYR A 120 16.092 -23.266 19.664 1.00 12.32 H new ATOM 0 HD1 TYR A 120 13.630 -20.779 21.020 1.00 4.14 H new ATOM 0 HD2 TYR A 120 16.901 -23.377 21.865 1.00 0.34 H new ATOM 0 HE1 TYR A 120 13.393 -20.297 23.416 1.00 52.34 H new ATOM 0 HE2 TYR A 120 16.661 -22.901 24.263 1.00 52.45 H new ATOM 0 HH TYR A 120 15.555 -21.803 25.827 1.00 44.53 H new ATOM 1739 N ASN A 121 14.350 -19.440 19.119 1.00 64.42 N ATOM 1740 CA ASN A 121 13.251 -18.602 18.656 1.00 13.43 C ATOM 1741 C ASN A 121 12.913 -17.530 19.688 1.00 51.30 C ATOM 1742 O ASN A 121 12.531 -16.412 19.338 1.00 61.54 O ATOM 1743 CB ASN A 121 12.015 -19.457 18.370 1.00 71.12 C ATOM 1744 CG ASN A 121 11.806 -20.539 19.412 1.00 2.20 C ATOM 1745 OD1 ASN A 121 12.085 -21.713 19.168 1.00 14.04 O ATOM 1746 ND2 ASN A 121 11.314 -20.146 20.581 1.00 35.52 N ATOM 0 H ASN A 121 14.707 -19.195 20.042 1.00 64.42 H new ATOM 0 HA ASN A 121 13.565 -18.110 17.735 1.00 13.43 H new ATOM 0 HB2 ASN A 121 11.134 -18.816 18.334 1.00 71.12 H new ATOM 0 HB3 ASN A 121 12.115 -19.917 17.387 1.00 71.12 H new ATOM 0 HD21 ASN A 121 11.153 -20.828 21.322 1.00 35.52 H new ATOM 0 HD22 ASN A 121 11.097 -19.162 20.738 1.00 35.52 H new ATOM 1753 N THR A 122 13.057 -17.877 20.963 1.00 34.12 N ATOM 1754 CA THR A 122 12.767 -16.946 22.046 1.00 33.13 C ATOM 1755 C THR A 122 13.714 -15.752 22.013 1.00 32.03 C ATOM 1756 O THR A 122 14.534 -15.621 21.104 1.00 55.24 O ATOM 1757 CB THR A 122 12.873 -17.633 23.421 1.00 54.10 C ATOM 1758 OG1 THR A 122 12.253 -16.820 24.424 1.00 71.12 O ATOM 1759 CG2 THR A 122 14.327 -17.882 23.791 1.00 60.43 C ATOM 0 H THR A 122 13.373 -18.797 21.271 1.00 34.12 H new ATOM 0 HA THR A 122 11.744 -16.599 21.899 1.00 33.13 H new ATOM 0 HB THR A 122 12.360 -18.593 23.363 1.00 54.10 H new ATOM 0 HG1 THR A 122 12.323 -17.264 25.295 1.00 71.12 H new ATOM 0 HG21 THR A 122 14.376 -18.368 24.766 1.00 60.43 H new ATOM 0 HG22 THR A 122 14.788 -18.525 23.041 1.00 60.43 H new ATOM 0 HG23 THR A 122 14.860 -16.932 23.832 1.00 60.43 H new ATOM 1767 N THR A 123 13.597 -14.882 23.012 1.00 41.02 N ATOM 1768 CA THR A 123 14.443 -13.698 23.097 1.00 74.03 C ATOM 1769 C THR A 123 15.422 -13.804 24.260 1.00 61.21 C ATOM 1770 O THR A 123 15.123 -13.381 25.377 1.00 62.22 O ATOM 1771 CB THR A 123 13.602 -12.418 23.263 1.00 30.14 C ATOM 1772 OG1 THR A 123 12.369 -12.724 23.923 1.00 33.53 O ATOM 1773 CG2 THR A 123 13.315 -11.779 21.913 1.00 63.21 C ATOM 0 H THR A 123 12.925 -14.975 23.773 1.00 41.02 H new ATOM 0 HA THR A 123 15.000 -13.639 22.162 1.00 74.03 H new ATOM 0 HB THR A 123 14.172 -11.712 23.867 1.00 30.14 H new ATOM 0 HG1 THR A 123 11.841 -11.905 24.026 1.00 33.53 H new ATOM 0 HG21 THR A 123 12.720 -10.877 22.056 1.00 63.21 H new ATOM 0 HG22 THR A 123 14.255 -11.520 21.426 1.00 63.21 H new ATOM 0 HG23 THR A 123 12.764 -12.482 21.288 1.00 63.21 H new ATOM 1781 N PHE A 124 16.594 -14.371 23.991 1.00 53.10 N ATOM 1782 CA PHE A 124 17.618 -14.533 25.016 1.00 11.33 C ATOM 1783 C PHE A 124 18.671 -13.433 24.911 1.00 30.44 C ATOM 1784 O PHE A 124 19.216 -12.982 25.919 1.00 52.11 O ATOM 1785 CB PHE A 124 18.283 -15.905 24.891 1.00 72.11 C ATOM 1786 CG PHE A 124 19.509 -16.058 25.745 1.00 12.51 C ATOM 1787 CD1 PHE A 124 19.416 -16.016 27.127 1.00 72.30 C ATOM 1788 CD2 PHE A 124 20.754 -16.243 25.166 1.00 11.44 C ATOM 1789 CE1 PHE A 124 20.543 -16.156 27.915 1.00 14.52 C ATOM 1790 CE2 PHE A 124 21.884 -16.383 25.950 1.00 42.25 C ATOM 1791 CZ PHE A 124 21.778 -16.340 27.326 1.00 60.22 C ATOM 0 H PHE A 124 16.858 -14.726 23.072 1.00 53.10 H new ATOM 0 HA PHE A 124 17.136 -14.459 25.991 1.00 11.33 H new ATOM 0 HB2 PHE A 124 17.562 -16.675 25.164 1.00 72.11 H new ATOM 0 HB3 PHE A 124 18.553 -16.075 23.849 1.00 72.11 H new ATOM 0 HD1 PHE A 124 18.453 -15.872 27.593 1.00 72.30 H new ATOM 0 HD2 PHE A 124 20.843 -16.278 24.090 1.00 11.44 H new ATOM 0 HE1 PHE A 124 20.457 -16.121 28.991 1.00 14.52 H new ATOM 0 HE2 PHE A 124 22.849 -16.526 25.487 1.00 42.25 H new ATOM 0 HZ PHE A 124 22.659 -16.450 27.940 1.00 60.22 H new ATOM 1801 N PHE A 125 18.953 -13.008 23.685 1.00 51.45 N ATOM 1802 CA PHE A 125 19.942 -11.962 23.446 1.00 34.54 C ATOM 1803 C PHE A 125 19.267 -10.666 23.008 1.00 44.24 C ATOM 1804 O PHE A 125 18.118 -10.652 22.567 1.00 60.44 O ATOM 1805 CB PHE A 125 20.946 -12.413 22.384 1.00 73.54 C ATOM 1806 CG PHE A 125 22.126 -13.151 22.949 1.00 41.44 C ATOM 1807 CD1 PHE A 125 22.863 -12.611 23.990 1.00 1.31 C ATOM 1808 CD2 PHE A 125 22.499 -14.383 22.438 1.00 71.44 C ATOM 1809 CE1 PHE A 125 23.950 -13.287 24.513 1.00 53.43 C ATOM 1810 CE2 PHE A 125 23.584 -15.064 22.956 1.00 22.13 C ATOM 1811 CZ PHE A 125 24.311 -14.515 23.994 1.00 2.52 C ATOM 0 H PHE A 125 18.511 -13.371 22.840 1.00 51.45 H new ATOM 0 HA PHE A 125 20.472 -11.777 24.380 1.00 34.54 H new ATOM 0 HB2 PHE A 125 20.438 -13.054 21.664 1.00 73.54 H new ATOM 0 HB3 PHE A 125 21.302 -11.539 21.838 1.00 73.54 H new ATOM 0 HD1 PHE A 125 22.585 -11.650 24.398 1.00 1.31 H new ATOM 0 HD2 PHE A 125 21.935 -14.817 21.625 1.00 71.44 H new ATOM 0 HE1 PHE A 125 24.516 -12.856 25.326 1.00 53.43 H new ATOM 0 HE2 PHE A 125 23.863 -16.025 22.549 1.00 22.13 H new ATOM 0 HZ PHE A 125 25.160 -15.045 24.399 1.00 2.52 H new ATOM 1821 N PRO A 126 19.999 -9.548 23.131 1.00 34.15 N ATOM 1822 CA PRO A 126 19.493 -8.225 22.753 1.00 34.34 C ATOM 1823 C PRO A 126 19.337 -8.074 21.244 1.00 3.41 C ATOM 1824 O PRO A 126 19.290 -9.062 20.512 1.00 72.22 O ATOM 1825 CB PRO A 126 20.568 -7.271 23.279 1.00 53.20 C ATOM 1826 CG PRO A 126 21.812 -8.089 23.322 1.00 42.32 C ATOM 1827 CD PRO A 126 21.376 -9.490 23.650 1.00 52.25 C ATOM 0 HA PRO A 126 18.500 -8.036 23.161 1.00 34.34 H new ATOM 0 HB2 PRO A 126 20.685 -6.407 22.625 1.00 53.20 H new ATOM 0 HB3 PRO A 126 20.310 -6.890 24.267 1.00 53.20 H new ATOM 0 HG2 PRO A 126 22.333 -8.057 22.365 1.00 42.32 H new ATOM 0 HG3 PRO A 126 22.503 -7.709 24.075 1.00 42.32 H new ATOM 0 HD2 PRO A 126 22.017 -10.232 23.174 1.00 52.25 H new ATOM 0 HD3 PRO A 126 21.410 -9.681 24.723 1.00 52.25 H new ATOM 1835 N LYS A 127 19.259 -6.829 20.784 1.00 20.51 N ATOM 1836 CA LYS A 127 19.111 -6.547 19.361 1.00 31.24 C ATOM 1837 C LYS A 127 20.303 -7.082 18.574 1.00 54.14 C ATOM 1838 O LYS A 127 20.273 -7.135 17.344 1.00 61.01 O ATOM 1839 CB LYS A 127 18.968 -5.041 19.131 1.00 4.14 C ATOM 1840 CG LYS A 127 20.297 -4.310 19.051 1.00 41.51 C ATOM 1841 CD LYS A 127 21.061 -4.395 20.362 1.00 61.24 C ATOM 1842 CE LYS A 127 20.319 -3.689 21.486 1.00 4.02 C ATOM 1843 NZ LYS A 127 20.111 -2.244 21.192 1.00 62.22 N ATOM 0 H LYS A 127 19.296 -6.000 21.376 1.00 20.51 H new ATOM 0 HA LYS A 127 18.210 -7.049 19.008 1.00 31.24 H new ATOM 0 HB2 LYS A 127 18.415 -4.874 18.207 1.00 4.14 H new ATOM 0 HB3 LYS A 127 18.375 -4.613 19.939 1.00 4.14 H new ATOM 0 HG2 LYS A 127 20.900 -4.736 18.249 1.00 41.51 H new ATOM 0 HG3 LYS A 127 20.123 -3.264 18.797 1.00 41.51 H new ATOM 0 HD2 LYS A 127 21.215 -5.441 20.627 1.00 61.24 H new ATOM 0 HD3 LYS A 127 22.048 -3.948 20.239 1.00 61.24 H new ATOM 0 HE2 LYS A 127 19.354 -4.170 21.642 1.00 4.02 H new ATOM 0 HE3 LYS A 127 20.881 -3.793 22.414 1.00 4.02 H new ATOM 0 HZ1 LYS A 127 19.839 -1.748 22.065 1.00 62.22 H new ATOM 0 HZ2 LYS A 127 20.992 -1.835 20.821 1.00 62.22 H new ATOM 0 HZ3 LYS A 127 19.356 -2.139 20.484 1.00 62.22 H new ATOM 1857 N PHE A 128 21.350 -7.478 19.290 1.00 74.34 N ATOM 1858 CA PHE A 128 22.551 -8.010 18.657 1.00 3.41 C ATOM 1859 C PHE A 128 22.192 -8.971 17.528 1.00 31.21 C ATOM 1860 O PHE A 128 22.886 -9.042 16.513 1.00 55.34 O ATOM 1861 CB PHE A 128 23.425 -8.723 19.691 1.00 33.12 C ATOM 1862 CG PHE A 128 23.857 -10.097 19.265 1.00 3.21 C ATOM 1863 CD1 PHE A 128 23.048 -11.197 19.500 1.00 10.53 C ATOM 1864 CD2 PHE A 128 25.074 -10.288 18.630 1.00 74.53 C ATOM 1865 CE1 PHE A 128 23.443 -12.462 19.109 1.00 31.11 C ATOM 1866 CE2 PHE A 128 25.474 -11.551 18.236 1.00 74.41 C ATOM 1867 CZ PHE A 128 24.658 -12.640 18.477 1.00 51.30 C ATOM 0 H PHE A 128 21.391 -7.441 20.308 1.00 74.34 H new ATOM 0 HA PHE A 128 23.109 -7.174 18.234 1.00 3.41 H new ATOM 0 HB2 PHE A 128 24.310 -8.117 19.887 1.00 33.12 H new ATOM 0 HB3 PHE A 128 22.876 -8.798 20.629 1.00 33.12 H new ATOM 0 HD1 PHE A 128 22.097 -11.064 19.995 1.00 10.53 H new ATOM 0 HD2 PHE A 128 25.717 -9.441 18.441 1.00 74.53 H new ATOM 0 HE1 PHE A 128 22.802 -13.311 19.297 1.00 31.11 H new ATOM 0 HE2 PHE A 128 26.424 -11.687 17.740 1.00 74.41 H new ATOM 0 HZ PHE A 128 24.970 -13.628 18.172 1.00 51.30 H new ATOM 1877 N LEU A 129 21.104 -9.711 17.713 1.00 51.30 N ATOM 1878 CA LEU A 129 20.651 -10.669 16.711 1.00 21.40 C ATOM 1879 C LEU A 129 20.014 -9.956 15.523 1.00 1.31 C ATOM 1880 O LEU A 129 20.613 -9.857 14.452 1.00 51.41 O ATOM 1881 CB LEU A 129 19.651 -11.648 17.329 1.00 70.34 C ATOM 1882 CG LEU A 129 20.205 -13.021 17.714 1.00 41.55 C ATOM 1883 CD1 LEU A 129 19.109 -13.891 18.308 1.00 71.45 C ATOM 1884 CD2 LEU A 129 20.833 -13.700 16.505 1.00 31.24 C ATOM 0 H LEU A 129 20.519 -9.666 18.548 1.00 51.30 H new ATOM 0 HA LEU A 129 21.520 -11.222 16.355 1.00 21.40 H new ATOM 0 HB2 LEU A 129 19.226 -11.187 18.221 1.00 70.34 H new ATOM 0 HB3 LEU A 129 18.833 -11.793 16.624 1.00 70.34 H new ATOM 0 HG LEU A 129 20.978 -12.882 18.470 1.00 41.55 H new ATOM 0 HD11 LEU A 129 19.522 -14.864 18.576 1.00 71.45 H new ATOM 0 HD12 LEU A 129 18.706 -13.410 19.199 1.00 71.45 H new ATOM 0 HD13 LEU A 129 18.313 -14.024 17.575 1.00 71.45 H new ATOM 0 HD21 LEU A 129 21.222 -14.676 16.797 1.00 31.24 H new ATOM 0 HD22 LEU A 129 20.080 -13.827 15.727 1.00 31.24 H new ATOM 0 HD23 LEU A 129 21.647 -13.084 16.124 1.00 31.24 H new ATOM 1896 N ARG A 130 18.798 -9.458 15.721 1.00 33.30 N ATOM 1897 CA ARG A 130 18.080 -8.753 14.666 1.00 11.44 C ATOM 1898 C ARG A 130 17.991 -9.606 13.404 1.00 1.34 C ATOM 1899 O ARG A 130 18.452 -9.203 12.336 1.00 52.31 O ATOM 1900 CB ARG A 130 18.771 -7.425 14.350 1.00 62.11 C ATOM 1901 CG ARG A 130 17.919 -6.205 14.660 1.00 73.45 C ATOM 1902 CD ARG A 130 17.434 -6.216 16.101 1.00 73.13 C ATOM 1903 NE ARG A 130 16.055 -6.686 16.211 1.00 43.21 N ATOM 1904 CZ ARG A 130 15.006 -5.990 15.788 1.00 72.03 C ATOM 1905 NH1 ARG A 130 15.177 -4.800 15.229 1.00 52.02 N ATOM 1906 NH2 ARG A 130 13.782 -6.485 15.923 1.00 50.22 N ATOM 0 H ARG A 130 18.289 -9.530 16.602 1.00 33.30 H new ATOM 0 HA ARG A 130 17.069 -8.554 15.020 1.00 11.44 H new ATOM 0 HB2 ARG A 130 19.699 -7.364 14.919 1.00 62.11 H new ATOM 0 HB3 ARG A 130 19.043 -7.409 13.295 1.00 62.11 H new ATOM 0 HG2 ARG A 130 18.498 -5.300 14.477 1.00 73.45 H new ATOM 0 HG3 ARG A 130 17.062 -6.178 13.987 1.00 73.45 H new ATOM 0 HD2 ARG A 130 18.084 -6.856 16.697 1.00 73.13 H new ATOM 0 HD3 ARG A 130 17.509 -5.211 16.516 1.00 73.13 H new ATOM 0 HE ARG A 130 15.889 -7.598 16.636 1.00 43.21 H new ATOM 0 HH11 ARG A 130 16.116 -4.417 15.123 1.00 52.02 H new ATOM 0 HH12 ARG A 130 14.369 -4.268 14.905 1.00 52.02 H new ATOM 0 HH21 ARG A 130 13.647 -7.400 16.352 1.00 50.22 H new ATOM 0 HH22 ARG A 130 12.977 -5.950 15.598 1.00 50.22 H new ATOM 1920 N CYS A 131 17.396 -10.787 13.535 1.00 2.44 N ATOM 1921 CA CYS A 131 17.247 -11.698 12.407 1.00 2.22 C ATOM 1922 C CYS A 131 16.037 -12.607 12.598 1.00 13.14 C ATOM 1923 O CYS A 131 15.751 -13.052 13.709 1.00 23.11 O ATOM 1924 CB CYS A 131 18.511 -12.543 12.237 1.00 44.43 C ATOM 1925 SG CYS A 131 18.682 -13.881 13.460 1.00 33.43 S ATOM 0 H CYS A 131 17.009 -11.135 14.412 1.00 2.44 H new ATOM 0 HA CYS A 131 17.093 -11.101 11.508 1.00 2.22 H new ATOM 0 HB2 CYS A 131 18.513 -12.977 11.237 1.00 44.43 H new ATOM 0 HB3 CYS A 131 19.382 -11.891 12.303 1.00 44.43 H new ATOM 1930 N ASN A 132 15.329 -12.878 11.507 1.00 71.04 N ATOM 1931 CA ASN A 132 14.149 -13.734 11.554 1.00 51.24 C ATOM 1932 C ASN A 132 14.474 -15.074 12.206 1.00 3.34 C ATOM 1933 O ASN A 132 15.265 -15.856 11.680 1.00 40.43 O ATOM 1934 CB ASN A 132 13.601 -13.961 10.143 1.00 3.40 C ATOM 1935 CG ASN A 132 14.703 -14.174 9.123 1.00 74.43 C ATOM 1936 OD1 ASN A 132 15.380 -15.203 9.130 1.00 53.42 O ATOM 1937 ND2 ASN A 132 14.887 -13.201 8.239 1.00 51.25 N ATOM 0 H ASN A 132 15.552 -12.517 10.579 1.00 71.04 H new ATOM 0 HA ASN A 132 13.391 -13.232 12.155 1.00 51.24 H new ATOM 0 HB2 ASN A 132 12.941 -14.828 10.148 1.00 3.40 H new ATOM 0 HB3 ASN A 132 12.997 -13.103 9.848 1.00 3.40 H new ATOM 0 HD21 ASN A 132 15.613 -13.289 7.528 1.00 51.25 H new ATOM 0 HD22 ASN A 132 14.302 -12.366 8.271 1.00 51.25 H new ATOM 1944 N GLU A 133 13.858 -15.331 13.356 1.00 70.01 N ATOM 1945 CA GLU A 133 14.083 -16.576 14.080 1.00 33.43 C ATOM 1946 C GLU A 133 12.840 -17.461 14.040 1.00 31.02 C ATOM 1947 O GLU A 133 12.916 -18.644 13.707 1.00 73.14 O ATOM 1948 CB GLU A 133 14.468 -16.285 15.532 1.00 23.42 C ATOM 1949 CG GLU A 133 15.425 -17.307 16.124 1.00 1.52 C ATOM 1950 CD GLU A 133 16.875 -17.006 15.796 1.00 31.34 C ATOM 1951 OE1 GLU A 133 17.160 -15.873 15.356 1.00 44.01 O ATOM 1952 OE2 GLU A 133 17.723 -17.904 15.980 1.00 44.22 O ATOM 0 H GLU A 133 13.200 -14.694 13.805 1.00 70.01 H new ATOM 0 HA GLU A 133 14.902 -17.106 13.594 1.00 33.43 H new ATOM 0 HB2 GLU A 133 14.925 -15.297 15.587 1.00 23.42 H new ATOM 0 HB3 GLU A 133 13.564 -16.252 16.139 1.00 23.42 H new ATOM 0 HG2 GLU A 133 15.299 -17.333 17.206 1.00 1.52 H new ATOM 0 HG3 GLU A 133 15.170 -18.298 15.749 1.00 1.52 H new ATOM 1959 N THR A 134 11.695 -16.879 14.384 1.00 50.05 N ATOM 1960 CA THR A 134 10.436 -17.613 14.389 1.00 70.01 C ATOM 1961 C THR A 134 9.425 -16.978 13.441 1.00 1.21 C ATOM 1962 O THR A 134 8.231 -17.273 13.502 1.00 72.32 O ATOM 1963 CB THR A 134 9.828 -17.675 15.803 1.00 61.41 C ATOM 1964 OG1 THR A 134 10.672 -16.983 16.730 1.00 70.41 O ATOM 1965 CG2 THR A 134 9.649 -19.118 16.252 1.00 51.23 C ATOM 0 H THR A 134 11.614 -15.901 14.663 1.00 50.05 H new ATOM 0 HA THR A 134 10.659 -18.625 14.052 1.00 70.01 H new ATOM 0 HB THR A 134 8.850 -17.195 15.775 1.00 61.41 H new ATOM 0 HG1 THR A 134 10.207 -16.887 17.587 1.00 70.41 H new ATOM 0 HG21 THR A 134 9.218 -19.137 17.253 1.00 51.23 H new ATOM 0 HG22 THR A 134 8.983 -19.634 15.561 1.00 51.23 H new ATOM 0 HG23 THR A 134 10.617 -19.618 16.264 1.00 51.23 H new ATOM 1973 N LEU A 135 9.910 -16.105 12.565 1.00 10.43 N ATOM 1974 CA LEU A 135 9.048 -15.427 11.603 1.00 60.43 C ATOM 1975 C LEU A 135 8.834 -16.289 10.362 1.00 24.25 C ATOM 1976 O LEU A 135 8.188 -15.867 9.404 1.00 53.42 O ATOM 1977 CB LEU A 135 9.655 -14.081 11.204 1.00 72.01 C ATOM 1978 CG LEU A 135 9.960 -13.116 12.350 1.00 31.44 C ATOM 1979 CD1 LEU A 135 11.053 -12.138 11.948 1.00 33.13 C ATOM 1980 CD2 LEU A 135 8.701 -12.370 12.769 1.00 64.40 C ATOM 0 H LEU A 135 10.896 -15.850 12.501 1.00 10.43 H new ATOM 0 HA LEU A 135 8.081 -15.256 12.076 1.00 60.43 H new ATOM 0 HB2 LEU A 135 10.580 -14.270 10.659 1.00 72.01 H new ATOM 0 HB3 LEU A 135 8.972 -13.588 10.512 1.00 72.01 H new ATOM 0 HG LEU A 135 10.315 -13.695 13.202 1.00 31.44 H new ATOM 0 HD11 LEU A 135 11.256 -11.459 12.776 1.00 33.13 H new ATOM 0 HD12 LEU A 135 11.960 -12.689 11.699 1.00 33.13 H new ATOM 0 HD13 LEU A 135 10.727 -11.564 11.080 1.00 33.13 H new ATOM 0 HD21 LEU A 135 8.937 -11.688 13.586 1.00 64.40 H new ATOM 0 HD22 LEU A 135 8.315 -11.802 11.922 1.00 64.40 H new ATOM 0 HD23 LEU A 135 7.948 -13.085 13.100 1.00 64.40 H new ATOM 1992 N PHE A 136 9.380 -17.500 10.389 1.00 64.52 N ATOM 1993 CA PHE A 136 9.249 -18.423 9.267 1.00 13.01 C ATOM 1994 C PHE A 136 9.932 -17.866 8.022 1.00 65.12 C ATOM 1995 O PHE A 136 9.290 -17.537 7.025 1.00 51.34 O ATOM 1996 CB PHE A 136 7.772 -18.695 8.973 1.00 12.43 C ATOM 1997 CG PHE A 136 6.974 -19.053 10.194 1.00 31.23 C ATOM 1998 CD1 PHE A 136 6.375 -18.067 10.961 1.00 10.31 C ATOM 1999 CD2 PHE A 136 6.822 -20.377 10.575 1.00 43.22 C ATOM 2000 CE1 PHE A 136 5.641 -18.394 12.085 1.00 30.14 C ATOM 2001 CE2 PHE A 136 6.089 -20.710 11.698 1.00 30.31 C ATOM 2002 CZ PHE A 136 5.497 -19.718 12.454 1.00 53.43 C ATOM 0 H PHE A 136 9.917 -17.865 11.175 1.00 64.52 H new ATOM 0 HA PHE A 136 9.737 -19.359 9.540 1.00 13.01 H new ATOM 0 HB2 PHE A 136 7.334 -17.812 8.508 1.00 12.43 H new ATOM 0 HB3 PHE A 136 7.697 -19.506 8.249 1.00 12.43 H new ATOM 0 HD1 PHE A 136 6.483 -17.031 10.677 1.00 10.31 H new ATOM 0 HD2 PHE A 136 7.282 -21.158 9.987 1.00 43.22 H new ATOM 0 HE1 PHE A 136 5.180 -17.615 12.675 1.00 30.14 H new ATOM 0 HE2 PHE A 136 5.979 -21.746 11.984 1.00 30.31 H new ATOM 0 HZ PHE A 136 4.923 -19.976 13.332 1.00 53.43 H new ATOM 2012 N PRO A 137 11.268 -17.757 8.079 1.00 21.45 N ATOM 2013 CA PRO A 137 12.069 -17.241 6.966 1.00 41.32 C ATOM 2014 C PRO A 137 12.100 -18.199 5.780 1.00 23.44 C ATOM 2015 O PRO A 137 11.869 -17.800 4.639 1.00 71.04 O ATOM 2016 CB PRO A 137 13.467 -17.094 7.572 1.00 30.52 C ATOM 2017 CG PRO A 137 13.500 -18.078 8.691 1.00 55.03 C ATOM 2018 CD PRO A 137 12.099 -18.131 9.236 1.00 23.12 C ATOM 0 HA PRO A 137 11.662 -16.311 6.569 1.00 41.32 H new ATOM 0 HB2 PRO A 137 14.242 -17.306 6.835 1.00 30.52 H new ATOM 0 HB3 PRO A 137 13.638 -16.079 7.932 1.00 30.52 H new ATOM 0 HG2 PRO A 137 13.819 -19.059 8.339 1.00 55.03 H new ATOM 0 HG3 PRO A 137 14.207 -17.770 9.461 1.00 55.03 H new ATOM 0 HD2 PRO A 137 11.849 -19.126 9.605 1.00 23.12 H new ATOM 0 HD3 PRO A 137 11.965 -17.439 10.067 1.00 23.12 H new