USER MOD reduce.3.24.130724 H: found=0, std=0, add=1194, rem=0, adj=50 USER MOD reduce.3.24.130724 removed 1198 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 78 SER OG : rot 66:sc= 1.26 USER MOD Set 1.2: B 89 MET CE :methyl 165:sc= -1 (180deg=-1.63) USER MOD Set 2.1: A 89 MET CE :methyl 166:sc= -1.23 (180deg=-1.91) USER MOD Set 2.2: B 78 SER OG : rot 65:sc= 1.25 USER MOD Set 3.1: B 33 THR OG1 : rot -8:sc= 0.727 USER MOD Set 3.2: B 74 GLN : amide:sc= 0.871 K(o=1.6,f=-0.49) USER MOD Set 4.1: B 43 MET CE :methyl -117:sc= -0.0955 (180deg=-0.779) USER MOD Set 4.2: B 51 THR OG1 : rot 126:sc= 0.618 USER MOD Set 5.1: B 24 TYR OH : rot -86:sc= 0.513 USER MOD Set 5.2: B 45 THR OG1 : rot -76:sc= 1.92 USER MOD Set 6.1: A 33 THR OG1 : rot -9:sc= 0.7 USER MOD Set 6.2: A 74 GLN : amide:sc= 0.858 K(o=1.6,f=-0.57) USER MOD Set 7.1: A 24 TYR OH : rot -86:sc= 0.513 USER MOD Set 7.2: A 45 THR OG1 : rot -74:sc= 1.98 USER MOD Set 8.1: A 43 MET CE :methyl -118:sc= -0.133 (180deg=-0.793) USER MOD Set 8.2: A 51 THR OG1 : rot 125:sc= 0.645 USER MOD Set 9.1: A 13 CYS SG : rot 86:sc= -5.82! USER MOD Set 9.2: B 13 CYS SG : rot 90:sc= -5.77! USER MOD Single : A 8 THR OG1 : rot -149:sc= -1.17! USER MOD Single : A 10 THR OG1 : rot -160:sc= -0.254 USER MOD Single : A 16 SER OG : rot 91:sc= 1.24 USER MOD Single : A 22 GLN : amide:sc= -0.287 K(o=-0.29,f=-0.87) USER MOD Single : A 23 LYS NZ :NH3+ 157:sc= 1.28 (180deg=1.17) USER MOD Single : A 35 SER OG : rot 180:sc= -0.07 USER MOD Single : A 36 LYS NZ :NH3+ -155:sc= 1.21 (180deg=1.05) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc=-0.00989 USER MOD Single : A 44 ASN : amide:sc= 0.804 K(o=0.8,f=-0.25) USER MOD Single : A 52 LYS NZ :NH3+ -169:sc= -0.003 (180deg=-0.101) USER MOD Single : A 63 MET CE :methyl -110:sc= 0 (180deg=-2.2!) USER MOD Single : A 64 MET CE :methyl 144:sc= -1.5 (180deg=-4.07!) USER MOD Single : A 65 LYS NZ :NH3+ 163:sc= 1.24 (180deg=1.1) USER MOD Single : A 66 LYS NZ :NH3+ 142:sc= 0.961 (180deg=0.193) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.496 K(o=-0.5,f=-3.8!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= 1.26 K(o=1.3,f=-0.047) USER MOD Single : A 91 CYS SG : rot 72:sc= 1.15 USER MOD Single : A 92 HIS : no HD1:sc= -0.941 K(o=-0.94,f=-3.6!) USER MOD Single : A 94 SER OG : rot 84:sc= 1.24 USER MOD Single : B 8 THR OG1 : rot -143:sc= -1.21! USER MOD Single : B 10 THR OG1 : rot -160:sc= -0.297 USER MOD Single : B 16 SER OG : rot 89:sc= 1.23 USER MOD Single : B 22 GLN : amide:sc= -0.258 K(o=-0.26,f=-0.81) USER MOD Single : B 23 LYS NZ :NH3+ 158:sc= 1.18 (180deg=1.1) USER MOD Single : B 35 SER OG : rot 180:sc= -0.0578 USER MOD Single : B 36 LYS NZ :NH3+ -169:sc= 1.3 (180deg=0.918) USER MOD Single : B 37 THR OG1 : rot 180:sc= 0 USER MOD Single : B 41 SER OG : rot 180:sc=-0.00557 USER MOD Single : B 44 ASN : amide:sc= 0.593 K(o=0.59,f=-0.26) USER MOD Single : B 52 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0849) USER MOD Single : B 63 MET CE :methyl -110:sc= 0 (180deg=-2.26!) USER MOD Single : B 64 MET CE :methyl 138:sc= -1.37 (180deg=-3.91!) USER MOD Single : B 65 LYS NZ :NH3+ 175:sc= 1.24 (180deg=1.21) USER MOD Single : B 66 LYS NZ :NH3+ 142:sc= 0.975 (180deg=0.198) USER MOD Single : B 69 THR OG1 : rot 180:sc= 0 USER MOD Single : B 70 ASN : amide:sc= -0.529 K(o=-0.53,f=-3.9!) USER MOD Single : B 71 SER OG : rot 180:sc= 0 USER MOD Single : B 82 ASN : amide:sc= 1.22 K(o=1.2,f=-0.044) USER MOD Single : B 91 CYS SG : rot 71:sc= 1.15 USER MOD Single : B 92 HIS : no HD1:sc= -0.937 K(o=-0.94,f=-3.5!) USER MOD Single : B 94 SER OG : rot 90:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 93 N PRO A 7 -6.340 9.623 11.343 1.00 0.69 N ATOM 94 CA PRO A 7 -6.138 8.611 10.307 1.00 0.54 C ATOM 95 C PRO A 7 -6.761 7.274 10.681 1.00 0.44 C ATOM 96 O PRO A 7 -6.927 6.953 11.862 1.00 0.56 O ATOM 97 CB PRO A 7 -4.620 8.486 10.271 1.00 0.61 C ATOM 98 CG PRO A 7 -4.241 8.673 11.691 1.00 0.75 C ATOM 99 CD PRO A 7 -5.140 9.773 12.191 1.00 0.82 C ATOM 0 HA PRO A 7 -6.596 8.885 9.357 1.00 0.54 H new ATOM 0 HB2 PRO A 7 -4.303 7.514 9.893 1.00 0.61 H new ATOM 0 HB3 PRO A 7 -4.167 9.241 9.629 1.00 0.61 H new ATOM 0 HG2 PRO A 7 -4.384 7.756 12.262 1.00 0.75 H new ATOM 0 HG3 PRO A 7 -3.190 8.947 11.787 1.00 0.75 H new ATOM 0 HD2 PRO A 7 -5.375 9.655 13.249 1.00 0.82 H new ATOM 0 HD3 PRO A 7 -4.682 10.755 12.074 1.00 0.82 H new ATOM 107 N THR A 8 -7.112 6.506 9.674 1.00 0.34 N ATOM 108 CA THR A 8 -7.641 5.175 9.881 1.00 0.27 C ATOM 109 C THR A 8 -6.533 4.150 9.720 1.00 0.28 C ATOM 110 O THR A 8 -5.369 4.520 9.558 1.00 0.35 O ATOM 111 CB THR A 8 -8.745 4.887 8.867 1.00 0.28 C ATOM 112 OG1 THR A 8 -8.172 4.775 7.561 1.00 0.36 O ATOM 113 CG2 THR A 8 -9.771 6.002 8.897 1.00 0.32 C ATOM 0 H THR A 8 -7.040 6.783 8.695 1.00 0.34 H new ATOM 0 HA THR A 8 -8.052 5.113 10.889 1.00 0.27 H new ATOM 0 HB THR A 8 -9.240 3.950 9.121 1.00 0.28 H new ATOM 0 HG1 THR A 8 -8.819 5.083 6.892 1.00 0.36 H new ATOM 0 HG21 THR A 8 -10.557 5.793 8.172 1.00 0.32 H new ATOM 0 HG22 THR A 8 -10.206 6.070 9.894 1.00 0.32 H new ATOM 0 HG23 THR A 8 -9.289 6.947 8.647 1.00 0.32 H new ATOM 121 N GLU A 9 -6.895 2.874 9.739 1.00 0.28 N ATOM 122 CA GLU A 9 -5.923 1.800 9.585 1.00 0.33 C ATOM 123 C GLU A 9 -5.119 1.987 8.301 1.00 0.36 C ATOM 124 O GLU A 9 -3.898 1.979 8.328 1.00 0.52 O ATOM 125 CB GLU A 9 -6.624 0.441 9.564 1.00 0.40 C ATOM 126 CG GLU A 9 -5.669 -0.736 9.677 1.00 0.56 C ATOM 127 CD GLU A 9 -5.127 -0.893 11.078 1.00 1.73 C ATOM 128 OE1 GLU A 9 -5.907 -1.249 11.984 1.00 2.48 O ATOM 129 OE2 GLU A 9 -3.926 -0.656 11.287 1.00 2.47 O ATOM 0 H GLU A 9 -7.857 2.557 9.860 1.00 0.28 H new ATOM 0 HA GLU A 9 -5.243 1.833 10.436 1.00 0.33 H new ATOM 0 HB2 GLU A 9 -7.340 0.398 10.385 1.00 0.40 H new ATOM 0 HB3 GLU A 9 -7.193 0.349 8.639 1.00 0.40 H new ATOM 0 HG2 GLU A 9 -6.184 -1.650 9.383 1.00 0.56 H new ATOM 0 HG3 GLU A 9 -4.841 -0.599 8.981 1.00 0.56 H new ATOM 136 N THR A 10 -5.812 2.203 7.191 1.00 0.26 N ATOM 137 CA THR A 10 -5.161 2.356 5.896 1.00 0.27 C ATOM 138 C THR A 10 -4.347 3.635 5.847 1.00 0.27 C ATOM 139 O THR A 10 -3.228 3.637 5.354 1.00 0.31 O ATOM 140 CB THR A 10 -6.172 2.325 4.716 1.00 0.27 C ATOM 141 OG1 THR A 10 -5.720 3.159 3.648 1.00 0.40 O ATOM 142 CG2 THR A 10 -7.564 2.764 5.148 1.00 0.25 C ATOM 0 H THR A 10 -6.829 2.277 7.161 1.00 0.26 H new ATOM 0 HA THR A 10 -4.494 1.502 5.781 1.00 0.27 H new ATOM 0 HB THR A 10 -6.233 1.292 4.374 1.00 0.27 H new ATOM 0 HG1 THR A 10 -6.476 3.386 3.067 1.00 0.40 H new ATOM 0 HG21 THR A 10 -8.239 2.727 4.293 1.00 0.25 H new ATOM 0 HG22 THR A 10 -7.930 2.097 5.928 1.00 0.25 H new ATOM 0 HG23 THR A 10 -7.521 3.783 5.533 1.00 0.25 H new ATOM 150 N GLU A 11 -4.886 4.706 6.401 1.00 0.25 N ATOM 151 CA GLU A 11 -4.229 5.997 6.324 1.00 0.27 C ATOM 152 C GLU A 11 -2.943 6.009 7.124 1.00 0.30 C ATOM 153 O GLU A 11 -1.914 6.486 6.653 1.00 0.32 O ATOM 154 CB GLU A 11 -5.161 7.089 6.804 1.00 0.29 C ATOM 155 CG GLU A 11 -6.497 7.023 6.116 1.00 0.41 C ATOM 156 CD GLU A 11 -7.349 8.243 6.365 1.00 1.11 C ATOM 157 OE1 GLU A 11 -7.718 8.480 7.533 1.00 1.71 O ATOM 158 OE2 GLU A 11 -7.640 8.975 5.400 1.00 1.85 O ATOM 0 H GLU A 11 -5.772 4.708 6.906 1.00 0.25 H new ATOM 0 HA GLU A 11 -3.974 6.184 5.281 1.00 0.27 H new ATOM 0 HB2 GLU A 11 -5.302 7.000 7.881 1.00 0.29 H new ATOM 0 HB3 GLU A 11 -4.705 8.062 6.622 1.00 0.29 H new ATOM 0 HG2 GLU A 11 -6.342 6.908 5.043 1.00 0.41 H new ATOM 0 HG3 GLU A 11 -7.032 6.137 6.458 1.00 0.41 H new ATOM 165 N ARG A 12 -2.996 5.460 8.323 1.00 0.35 N ATOM 166 CA ARG A 12 -1.809 5.379 9.157 1.00 0.42 C ATOM 167 C ARG A 12 -0.817 4.412 8.533 1.00 0.43 C ATOM 168 O ARG A 12 0.391 4.604 8.609 1.00 0.47 O ATOM 169 CB ARG A 12 -2.162 4.978 10.602 1.00 0.48 C ATOM 170 CG ARG A 12 -2.787 3.596 10.780 1.00 0.49 C ATOM 171 CD ARG A 12 -1.767 2.476 10.646 1.00 0.56 C ATOM 172 NE ARG A 12 -2.139 1.303 11.431 1.00 1.08 N ATOM 173 CZ ARG A 12 -1.662 1.029 12.646 1.00 1.35 C ATOM 174 NH1 ARG A 12 -0.790 1.844 13.230 1.00 1.86 N ATOM 175 NH2 ARG A 12 -2.071 -0.064 13.276 1.00 1.95 N ATOM 0 H ARG A 12 -3.840 5.066 8.740 1.00 0.35 H new ATOM 0 HA ARG A 12 -1.348 6.365 9.212 1.00 0.42 H new ATOM 0 HB2 ARG A 12 -1.254 5.024 11.203 1.00 0.48 H new ATOM 0 HB3 ARG A 12 -2.850 5.721 11.006 1.00 0.48 H new ATOM 0 HG2 ARG A 12 -3.260 3.538 11.760 1.00 0.49 H new ATOM 0 HG3 ARG A 12 -3.574 3.458 10.038 1.00 0.49 H new ATOM 0 HD2 ARG A 12 -1.672 2.195 9.597 1.00 0.56 H new ATOM 0 HD3 ARG A 12 -0.790 2.834 10.970 1.00 0.56 H new ATOM 0 HE ARG A 12 -2.808 0.650 11.023 1.00 1.08 H new ATOM 0 HH11 ARG A 12 -0.480 2.688 12.749 1.00 1.86 H new ATOM 0 HH12 ARG A 12 -0.431 1.626 14.159 1.00 1.86 H new ATOM 0 HH21 ARG A 12 -2.745 -0.687 12.831 1.00 1.95 H new ATOM 0 HH22 ARG A 12 -1.712 -0.282 14.205 1.00 1.95 H new ATOM 189 N CYS A 13 -1.355 3.386 7.890 1.00 0.42 N ATOM 190 CA CYS A 13 -0.553 2.373 7.230 1.00 0.44 C ATOM 191 C CYS A 13 0.139 2.980 6.029 1.00 0.30 C ATOM 192 O CYS A 13 1.301 2.693 5.744 1.00 0.29 O ATOM 193 CB CYS A 13 -1.453 1.207 6.830 1.00 0.57 C ATOM 194 SG CYS A 13 -1.807 0.069 8.186 1.00 2.16 S ATOM 0 H CYS A 13 -2.361 3.235 7.813 1.00 0.42 H new ATOM 0 HA CYS A 13 0.216 1.997 7.904 1.00 0.44 H new ATOM 0 HB2 CYS A 13 -2.393 1.601 6.442 1.00 0.57 H new ATOM 0 HB3 CYS A 13 -0.979 0.655 6.018 1.00 0.57 H new ATOM 0 HG CYS A 13 -2.833 0.501 8.858 1.00 2.16 H new ATOM 200 N ILE A 14 -0.590 3.846 5.355 1.00 0.26 N ATOM 201 CA ILE A 14 -0.060 4.635 4.269 1.00 0.24 C ATOM 202 C ILE A 14 1.134 5.467 4.731 1.00 0.21 C ATOM 203 O ILE A 14 2.167 5.525 4.061 1.00 0.23 O ATOM 204 CB ILE A 14 -1.163 5.559 3.717 1.00 0.24 C ATOM 205 CG1 ILE A 14 -2.072 4.802 2.749 1.00 0.25 C ATOM 206 CG2 ILE A 14 -0.578 6.797 3.058 1.00 0.27 C ATOM 207 CD1 ILE A 14 -3.284 5.601 2.345 1.00 0.27 C ATOM 0 H ILE A 14 -1.576 4.021 5.550 1.00 0.26 H new ATOM 0 HA ILE A 14 0.280 3.961 3.483 1.00 0.24 H new ATOM 0 HB ILE A 14 -1.766 5.893 4.562 1.00 0.24 H new ATOM 0 HG12 ILE A 14 -1.504 4.535 1.858 1.00 0.25 H new ATOM 0 HG13 ILE A 14 -2.394 3.870 3.213 1.00 0.25 H new ATOM 0 HG21 ILE A 14 -1.386 7.424 2.681 1.00 0.27 H new ATOM 0 HG22 ILE A 14 0.005 7.357 3.789 1.00 0.27 H new ATOM 0 HG23 ILE A 14 0.066 6.499 2.231 1.00 0.27 H new ATOM 0 HD11 ILE A 14 -3.894 5.015 1.657 1.00 0.27 H new ATOM 0 HD12 ILE A 14 -3.870 5.846 3.231 1.00 0.27 H new ATOM 0 HD13 ILE A 14 -2.966 6.521 1.854 1.00 0.27 H new ATOM 219 N GLU A 15 0.996 6.075 5.900 1.00 0.24 N ATOM 220 CA GLU A 15 2.025 6.943 6.433 1.00 0.28 C ATOM 221 C GLU A 15 3.178 6.117 6.929 1.00 0.30 C ATOM 222 O GLU A 15 4.305 6.588 7.031 1.00 0.34 O ATOM 223 CB GLU A 15 1.491 7.759 7.590 1.00 0.32 C ATOM 224 CG GLU A 15 0.256 8.575 7.247 1.00 0.33 C ATOM 225 CD GLU A 15 -0.195 9.442 8.402 1.00 0.38 C ATOM 226 OE1 GLU A 15 -0.253 8.933 9.542 1.00 1.26 O ATOM 227 OE2 GLU A 15 -0.471 10.641 8.181 1.00 1.06 O ATOM 0 H GLU A 15 0.175 5.980 6.497 1.00 0.24 H new ATOM 0 HA GLU A 15 2.350 7.612 5.636 1.00 0.28 H new ATOM 0 HB2 GLU A 15 1.254 7.089 8.416 1.00 0.32 H new ATOM 0 HB3 GLU A 15 2.274 8.432 7.940 1.00 0.32 H new ATOM 0 HG2 GLU A 15 0.467 9.205 6.383 1.00 0.33 H new ATOM 0 HG3 GLU A 15 -0.553 7.903 6.961 1.00 0.33 H new ATOM 234 N SER A 16 2.875 4.884 7.259 1.00 0.31 N ATOM 235 CA SER A 16 3.878 3.982 7.738 1.00 0.38 C ATOM 236 C SER A 16 4.742 3.513 6.581 1.00 0.29 C ATOM 237 O SER A 16 5.948 3.353 6.729 1.00 0.28 O ATOM 238 CB SER A 16 3.229 2.818 8.467 1.00 0.54 C ATOM 239 OG SER A 16 2.420 3.282 9.532 1.00 0.97 O ATOM 0 H SER A 16 1.937 4.488 7.202 1.00 0.31 H new ATOM 0 HA SER A 16 4.523 4.496 8.450 1.00 0.38 H new ATOM 0 HB2 SER A 16 2.624 2.238 7.770 1.00 0.54 H new ATOM 0 HB3 SER A 16 3.999 2.150 8.853 1.00 0.54 H new ATOM 0 HG SER A 16 1.503 3.415 9.212 1.00 0.97 H new ATOM 245 N LEU A 17 4.127 3.326 5.418 1.00 0.27 N ATOM 246 CA LEU A 17 4.882 3.074 4.200 1.00 0.28 C ATOM 247 C LEU A 17 5.737 4.290 3.897 1.00 0.27 C ATOM 248 O LEU A 17 6.880 4.168 3.483 1.00 0.32 O ATOM 249 CB LEU A 17 3.951 2.795 3.024 1.00 0.29 C ATOM 250 CG LEU A 17 2.903 1.720 3.284 1.00 0.33 C ATOM 251 CD1 LEU A 17 1.917 1.632 2.133 1.00 0.33 C ATOM 252 CD2 LEU A 17 3.562 0.368 3.527 1.00 0.46 C ATOM 0 H LEU A 17 3.115 3.344 5.295 1.00 0.27 H new ATOM 0 HA LEU A 17 5.510 2.195 4.348 1.00 0.28 H new ATOM 0 HB2 LEU A 17 3.443 3.720 2.752 1.00 0.29 H new ATOM 0 HB3 LEU A 17 4.552 2.497 2.165 1.00 0.29 H new ATOM 0 HG LEU A 17 2.353 2.000 4.182 1.00 0.33 H new ATOM 0 HD11 LEU A 17 1.180 0.857 2.344 1.00 0.33 H new ATOM 0 HD12 LEU A 17 1.412 2.590 2.012 1.00 0.33 H new ATOM 0 HD13 LEU A 17 2.450 1.385 1.215 1.00 0.33 H new ATOM 0 HD21 LEU A 17 2.794 -0.383 3.710 1.00 0.46 H new ATOM 0 HD22 LEU A 17 4.145 0.085 2.651 1.00 0.46 H new ATOM 0 HD23 LEU A 17 4.219 0.434 4.394 1.00 0.46 H new ATOM 264 N ILE A 18 5.160 5.467 4.128 1.00 0.27 N ATOM 265 CA ILE A 18 5.893 6.721 4.025 1.00 0.30 C ATOM 266 C ILE A 18 7.107 6.706 4.949 1.00 0.28 C ATOM 267 O ILE A 18 8.198 7.109 4.558 1.00 0.30 O ATOM 268 CB ILE A 18 4.985 7.931 4.369 1.00 0.36 C ATOM 269 CG1 ILE A 18 3.939 8.131 3.271 1.00 0.63 C ATOM 270 CG2 ILE A 18 5.806 9.199 4.571 1.00 0.47 C ATOM 271 CD1 ILE A 18 3.002 9.287 3.530 1.00 1.37 C ATOM 0 H ILE A 18 4.180 5.576 4.389 1.00 0.27 H new ATOM 0 HA ILE A 18 6.229 6.826 2.994 1.00 0.30 H new ATOM 0 HB ILE A 18 4.473 7.718 5.308 1.00 0.36 H new ATOM 0 HG12 ILE A 18 4.448 8.293 2.321 1.00 0.63 H new ATOM 0 HG13 ILE A 18 3.354 7.217 3.167 1.00 0.63 H new ATOM 0 HG21 ILE A 18 5.141 10.029 4.811 1.00 0.47 H new ATOM 0 HG22 ILE A 18 6.510 9.050 5.390 1.00 0.47 H new ATOM 0 HG23 ILE A 18 6.355 9.426 3.657 1.00 0.47 H new ATOM 0 HD11 ILE A 18 2.288 9.368 2.710 1.00 1.37 H new ATOM 0 HD12 ILE A 18 2.465 9.118 4.463 1.00 1.37 H new ATOM 0 HD13 ILE A 18 3.576 10.211 3.604 1.00 1.37 H new ATOM 283 N ALA A 19 6.904 6.216 6.165 1.00 0.25 N ATOM 284 CA ALA A 19 7.958 6.163 7.167 1.00 0.25 C ATOM 285 C ALA A 19 9.048 5.169 6.782 1.00 0.23 C ATOM 286 O ALA A 19 10.227 5.520 6.755 1.00 0.28 O ATOM 287 CB ALA A 19 7.368 5.808 8.524 1.00 0.28 C ATOM 0 H ALA A 19 6.008 5.846 6.483 1.00 0.25 H new ATOM 0 HA ALA A 19 8.419 7.149 7.224 1.00 0.25 H new ATOM 0 HB1 ALA A 19 8.164 5.770 9.268 1.00 0.28 H new ATOM 0 HB2 ALA A 19 6.637 6.564 8.812 1.00 0.28 H new ATOM 0 HB3 ALA A 19 6.880 4.835 8.465 1.00 0.28 H new ATOM 293 N VAL A 20 8.656 3.934 6.473 1.00 0.20 N ATOM 294 CA VAL A 20 9.617 2.895 6.118 1.00 0.22 C ATOM 295 C VAL A 20 10.343 3.273 4.842 1.00 0.23 C ATOM 296 O VAL A 20 11.552 3.064 4.710 1.00 0.27 O ATOM 297 CB VAL A 20 8.948 1.508 5.953 1.00 0.27 C ATOM 298 CG1 VAL A 20 8.003 1.259 7.093 1.00 0.87 C ATOM 299 CG2 VAL A 20 8.209 1.368 4.632 1.00 0.87 C ATOM 0 H VAL A 20 7.682 3.631 6.462 1.00 0.20 H new ATOM 0 HA VAL A 20 10.330 2.818 6.939 1.00 0.22 H new ATOM 0 HB VAL A 20 9.745 0.764 5.957 1.00 0.27 H new ATOM 0 HG11 VAL A 20 7.536 0.282 6.971 1.00 0.87 H new ATOM 0 HG12 VAL A 20 8.553 1.283 8.034 1.00 0.87 H new ATOM 0 HG13 VAL A 20 7.233 2.031 7.103 1.00 0.87 H new ATOM 0 HG21 VAL A 20 7.760 0.377 4.570 1.00 0.87 H new ATOM 0 HG22 VAL A 20 7.427 2.125 4.570 1.00 0.87 H new ATOM 0 HG23 VAL A 20 8.909 1.501 3.807 1.00 0.87 H new ATOM 309 N PHE A 21 9.597 3.847 3.913 1.00 0.23 N ATOM 310 CA PHE A 21 10.184 4.331 2.677 1.00 0.25 C ATOM 311 C PHE A 21 11.206 5.422 2.966 1.00 0.29 C ATOM 312 O PHE A 21 12.334 5.351 2.511 1.00 0.35 O ATOM 313 CB PHE A 21 9.109 4.861 1.726 1.00 0.26 C ATOM 314 CG PHE A 21 9.668 5.392 0.440 1.00 0.91 C ATOM 315 CD1 PHE A 21 10.069 4.529 -0.561 1.00 1.85 C ATOM 316 CD2 PHE A 21 9.806 6.754 0.240 1.00 1.59 C ATOM 317 CE1 PHE A 21 10.597 5.012 -1.739 1.00 2.48 C ATOM 318 CE2 PHE A 21 10.336 7.242 -0.936 1.00 2.17 C ATOM 319 CZ PHE A 21 10.731 6.371 -1.925 1.00 2.40 C ATOM 0 H PHE A 21 8.590 3.988 3.991 1.00 0.23 H new ATOM 0 HA PHE A 21 10.685 3.492 2.194 1.00 0.25 H new ATOM 0 HB2 PHE A 21 8.402 4.061 1.505 1.00 0.26 H new ATOM 0 HB3 PHE A 21 8.549 5.652 2.225 1.00 0.26 H new ATOM 0 HD1 PHE A 21 9.968 3.463 -0.419 1.00 1.85 H new ATOM 0 HD2 PHE A 21 9.496 7.442 1.013 1.00 1.59 H new ATOM 0 HE1 PHE A 21 10.905 4.327 -2.515 1.00 2.48 H new ATOM 0 HE2 PHE A 21 10.441 8.307 -1.080 1.00 2.17 H new ATOM 0 HZ PHE A 21 11.146 6.752 -2.847 1.00 2.40 H new ATOM 329 N GLN A 22 10.810 6.406 3.762 1.00 0.30 N ATOM 330 CA GLN A 22 11.633 7.581 4.011 1.00 0.37 C ATOM 331 C GLN A 22 12.882 7.217 4.801 1.00 0.36 C ATOM 332 O GLN A 22 13.958 7.744 4.545 1.00 0.44 O ATOM 333 CB GLN A 22 10.808 8.625 4.768 1.00 0.47 C ATOM 334 CG GLN A 22 11.248 10.068 4.565 1.00 1.12 C ATOM 335 CD GLN A 22 12.507 10.444 5.327 1.00 1.98 C ATOM 336 OE1 GLN A 22 13.616 10.394 4.795 1.00 2.68 O ATOM 337 NE2 GLN A 22 12.344 10.803 6.590 1.00 2.66 N ATOM 0 H GLN A 22 9.915 6.413 4.251 1.00 0.30 H new ATOM 0 HA GLN A 22 11.955 7.994 3.055 1.00 0.37 H new ATOM 0 HB2 GLN A 22 9.766 8.533 4.462 1.00 0.47 H new ATOM 0 HB3 GLN A 22 10.849 8.395 5.833 1.00 0.47 H new ATOM 0 HG2 GLN A 22 11.415 10.240 3.502 1.00 1.12 H new ATOM 0 HG3 GLN A 22 10.439 10.730 4.872 1.00 1.12 H new ATOM 0 HE21 GLN A 22 11.408 10.832 6.995 1.00 2.66 H new ATOM 0 HE22 GLN A 22 13.154 11.051 7.158 1.00 2.66 H new ATOM 346 N LYS A 23 12.752 6.303 5.748 1.00 0.35 N ATOM 347 CA LYS A 23 13.881 5.962 6.593 1.00 0.39 C ATOM 348 C LYS A 23 14.971 5.256 5.791 1.00 0.40 C ATOM 349 O LYS A 23 16.158 5.492 6.011 1.00 0.49 O ATOM 350 CB LYS A 23 13.435 5.108 7.779 1.00 0.41 C ATOM 351 CG LYS A 23 12.911 3.756 7.401 1.00 0.42 C ATOM 352 CD LYS A 23 12.242 3.109 8.582 1.00 0.63 C ATOM 353 CE LYS A 23 12.165 1.617 8.391 1.00 0.63 C ATOM 354 NZ LYS A 23 11.492 0.928 9.521 1.00 0.91 N ATOM 0 H LYS A 23 11.892 5.792 5.948 1.00 0.35 H new ATOM 0 HA LYS A 23 14.301 6.889 6.984 1.00 0.39 H new ATOM 0 HB2 LYS A 23 14.278 4.981 8.458 1.00 0.41 H new ATOM 0 HB3 LYS A 23 12.661 5.645 8.328 1.00 0.41 H new ATOM 0 HG2 LYS A 23 12.202 3.850 6.579 1.00 0.42 H new ATOM 0 HG3 LYS A 23 13.728 3.127 7.047 1.00 0.42 H new ATOM 0 HD2 LYS A 23 12.797 3.337 9.492 1.00 0.63 H new ATOM 0 HD3 LYS A 23 11.240 3.518 8.709 1.00 0.63 H new ATOM 0 HE2 LYS A 23 11.628 1.400 7.467 1.00 0.63 H new ATOM 0 HE3 LYS A 23 13.172 1.217 8.275 1.00 0.63 H new ATOM 0 HZ1 LYS A 23 11.118 0.013 9.197 1.00 0.91 H new ATOM 0 HZ2 LYS A 23 12.176 0.770 10.288 1.00 0.91 H new ATOM 0 HZ3 LYS A 23 10.709 1.517 9.870 1.00 0.91 H new ATOM 368 N TYR A 24 14.571 4.398 4.857 1.00 0.36 N ATOM 369 CA TYR A 24 15.536 3.674 4.046 1.00 0.39 C ATOM 370 C TYR A 24 15.959 4.459 2.812 1.00 0.34 C ATOM 371 O TYR A 24 17.103 4.372 2.391 1.00 0.40 O ATOM 372 CB TYR A 24 15.007 2.297 3.671 1.00 0.46 C ATOM 373 CG TYR A 24 15.413 1.248 4.680 1.00 0.86 C ATOM 374 CD1 TYR A 24 16.604 0.552 4.533 1.00 1.67 C ATOM 375 CD2 TYR A 24 14.631 0.978 5.794 1.00 1.52 C ATOM 376 CE1 TYR A 24 17.007 -0.381 5.466 1.00 1.99 C ATOM 377 CE2 TYR A 24 15.023 0.040 6.729 1.00 1.83 C ATOM 378 CZ TYR A 24 16.213 -0.634 6.561 1.00 1.72 C ATOM 379 OH TYR A 24 16.618 -1.553 7.500 1.00 2.15 O ATOM 0 H TYR A 24 13.595 4.190 4.647 1.00 0.36 H new ATOM 0 HA TYR A 24 16.431 3.541 4.654 1.00 0.39 H new ATOM 0 HB2 TYR A 24 13.920 2.332 3.600 1.00 0.46 H new ATOM 0 HB3 TYR A 24 15.382 2.019 2.686 1.00 0.46 H new ATOM 0 HD1 TYR A 24 17.227 0.744 3.672 1.00 1.67 H new ATOM 0 HD2 TYR A 24 13.701 1.510 5.932 1.00 1.52 H new ATOM 0 HE1 TYR A 24 17.940 -0.910 5.338 1.00 1.99 H new ATOM 0 HE2 TYR A 24 14.400 -0.164 7.587 1.00 1.83 H new ATOM 0 HH TYR A 24 16.335 -2.450 7.223 1.00 2.15 H new ATOM 389 N ALA A 25 15.041 5.225 2.244 1.00 0.29 N ATOM 390 CA ALA A 25 15.355 6.091 1.111 1.00 0.34 C ATOM 391 C ALA A 25 16.151 7.298 1.582 1.00 0.47 C ATOM 392 O ALA A 25 16.757 8.029 0.792 1.00 0.58 O ATOM 393 CB ALA A 25 14.079 6.535 0.413 1.00 0.37 C ATOM 0 H ALA A 25 14.068 5.267 2.548 1.00 0.29 H new ATOM 0 HA ALA A 25 15.959 5.530 0.398 1.00 0.34 H new ATOM 0 HB1 ALA A 25 14.330 7.180 -0.429 1.00 0.37 H new ATOM 0 HB2 ALA A 25 13.539 5.660 0.051 1.00 0.37 H new ATOM 0 HB3 ALA A 25 13.452 7.084 1.116 1.00 0.37 H new ATOM 399 N GLY A 26 16.117 7.513 2.887 1.00 0.49 N ATOM 400 CA GLY A 26 16.833 8.615 3.482 1.00 0.64 C ATOM 401 C GLY A 26 18.163 8.190 4.070 1.00 0.75 C ATOM 402 O GLY A 26 18.720 8.885 4.923 1.00 0.96 O ATOM 0 H GLY A 26 15.599 6.935 3.549 1.00 0.49 H new ATOM 0 HA2 GLY A 26 17.001 9.384 2.729 1.00 0.64 H new ATOM 0 HA3 GLY A 26 16.220 9.063 4.264 1.00 0.64 H new ATOM 503 N THR A 33 13.663 8.708 -3.476 1.00 0.67 N ATOM 504 CA THR A 33 13.930 7.396 -4.046 1.00 0.46 C ATOM 505 C THR A 33 14.719 6.510 -3.101 1.00 0.38 C ATOM 506 O THR A 33 15.651 6.952 -2.434 1.00 0.44 O ATOM 507 CB THR A 33 14.698 7.516 -5.372 1.00 0.45 C ATOM 508 OG1 THR A 33 15.290 8.820 -5.490 1.00 0.66 O ATOM 509 CG2 THR A 33 13.789 7.243 -6.557 1.00 0.43 C ATOM 0 HA THR A 33 12.958 6.936 -4.223 1.00 0.46 H new ATOM 0 HB THR A 33 15.490 6.767 -5.372 1.00 0.45 H new ATOM 0 HG1 THR A 33 14.962 9.395 -4.767 1.00 0.66 H new ATOM 0 HG21 THR A 33 14.359 7.335 -7.482 1.00 0.43 H new ATOM 0 HG22 THR A 33 13.383 6.234 -6.480 1.00 0.43 H new ATOM 0 HG23 THR A 33 12.971 7.964 -6.562 1.00 0.43 H new ATOM 517 N LEU A 34 14.305 5.261 -3.055 1.00 0.32 N ATOM 518 CA LEU A 34 15.000 4.218 -2.340 1.00 0.30 C ATOM 519 C LEU A 34 16.021 3.605 -3.279 1.00 0.31 C ATOM 520 O LEU A 34 15.667 2.883 -4.216 1.00 0.34 O ATOM 521 CB LEU A 34 13.963 3.188 -1.871 1.00 0.30 C ATOM 522 CG LEU A 34 13.983 2.842 -0.385 1.00 0.29 C ATOM 523 CD1 LEU A 34 12.656 2.238 0.042 1.00 0.45 C ATOM 524 CD2 LEU A 34 15.100 1.875 -0.088 1.00 0.28 C ATOM 0 H LEU A 34 13.458 4.939 -3.524 1.00 0.32 H new ATOM 0 HA LEU A 34 15.524 4.600 -1.464 1.00 0.30 H new ATOM 0 HB2 LEU A 34 12.971 3.562 -2.123 1.00 0.30 H new ATOM 0 HB3 LEU A 34 14.111 2.269 -2.439 1.00 0.30 H new ATOM 0 HG LEU A 34 14.148 3.762 0.176 1.00 0.29 H new ATOM 0 HD11 LEU A 34 12.691 1.998 1.105 1.00 0.45 H new ATOM 0 HD12 LEU A 34 11.854 2.953 -0.143 1.00 0.45 H new ATOM 0 HD13 LEU A 34 12.470 1.329 -0.529 1.00 0.45 H new ATOM 0 HD21 LEU A 34 15.102 1.637 0.976 1.00 0.28 H new ATOM 0 HD22 LEU A 34 14.953 0.961 -0.664 1.00 0.28 H new ATOM 0 HD23 LEU A 34 16.054 2.326 -0.361 1.00 0.28 H new ATOM 536 N SER A 35 17.282 3.948 -3.050 1.00 0.32 N ATOM 537 CA SER A 35 18.363 3.551 -3.928 1.00 0.33 C ATOM 538 C SER A 35 18.514 2.036 -3.961 1.00 0.32 C ATOM 539 O SER A 35 17.945 1.332 -3.126 1.00 0.30 O ATOM 540 CB SER A 35 19.669 4.218 -3.488 1.00 0.37 C ATOM 541 OG SER A 35 20.726 3.965 -4.401 1.00 0.40 O ATOM 0 H SER A 35 17.579 4.508 -2.251 1.00 0.32 H new ATOM 0 HA SER A 35 18.125 3.881 -4.939 1.00 0.33 H new ATOM 0 HB2 SER A 35 19.515 5.293 -3.399 1.00 0.37 H new ATOM 0 HB3 SER A 35 19.948 3.853 -2.499 1.00 0.37 H new ATOM 0 HG SER A 35 21.542 4.408 -4.088 1.00 0.40 H new ATOM 547 N LYS A 36 19.288 1.543 -4.923 1.00 0.38 N ATOM 548 CA LYS A 36 19.459 0.111 -5.123 1.00 0.42 C ATOM 549 C LYS A 36 19.819 -0.579 -3.813 1.00 0.36 C ATOM 550 O LYS A 36 19.056 -1.397 -3.309 1.00 0.35 O ATOM 551 CB LYS A 36 20.541 -0.153 -6.173 1.00 0.53 C ATOM 552 CG LYS A 36 20.666 -1.617 -6.572 1.00 0.62 C ATOM 553 CD LYS A 36 19.404 -2.120 -7.256 1.00 0.66 C ATOM 554 CE LYS A 36 19.528 -3.580 -7.669 1.00 0.61 C ATOM 555 NZ LYS A 36 20.600 -3.797 -8.677 1.00 0.65 N ATOM 0 H LYS A 36 19.810 2.122 -5.581 1.00 0.38 H new ATOM 0 HA LYS A 36 18.514 -0.299 -5.479 1.00 0.42 H new ATOM 0 HB2 LYS A 36 20.323 0.439 -7.062 1.00 0.53 H new ATOM 0 HB3 LYS A 36 21.500 0.192 -5.787 1.00 0.53 H new ATOM 0 HG2 LYS A 36 21.517 -1.741 -7.241 1.00 0.62 H new ATOM 0 HG3 LYS A 36 20.866 -2.220 -5.687 1.00 0.62 H new ATOM 0 HD2 LYS A 36 18.555 -2.004 -6.583 1.00 0.66 H new ATOM 0 HD3 LYS A 36 19.199 -1.510 -8.136 1.00 0.66 H new ATOM 0 HE2 LYS A 36 19.734 -4.187 -6.788 1.00 0.61 H new ATOM 0 HE3 LYS A 36 18.576 -3.921 -8.076 1.00 0.61 H new ATOM 0 HZ1 LYS A 36 20.390 -4.653 -9.229 1.00 0.65 H new ATOM 0 HZ2 LYS A 36 20.648 -2.977 -9.315 1.00 0.65 H new ATOM 0 HZ3 LYS A 36 21.513 -3.913 -8.193 1.00 0.65 H new ATOM 569 N THR A 37 20.954 -0.209 -3.247 1.00 0.37 N ATOM 570 CA THR A 37 21.443 -0.826 -2.024 1.00 0.38 C ATOM 571 C THR A 37 20.541 -0.515 -0.831 1.00 0.36 C ATOM 572 O THR A 37 20.427 -1.320 0.097 1.00 0.38 O ATOM 573 CB THR A 37 22.870 -0.349 -1.720 1.00 0.44 C ATOM 574 OG1 THR A 37 23.681 -0.489 -2.894 1.00 0.48 O ATOM 575 CG2 THR A 37 23.478 -1.149 -0.578 1.00 0.49 C ATOM 0 H THR A 37 21.560 0.523 -3.618 1.00 0.37 H new ATOM 0 HA THR A 37 21.440 -1.904 -2.183 1.00 0.38 H new ATOM 0 HB THR A 37 22.830 0.699 -1.422 1.00 0.44 H new ATOM 0 HG1 THR A 37 24.592 -0.183 -2.701 1.00 0.48 H new ATOM 0 HG21 THR A 37 24.489 -0.792 -0.382 1.00 0.49 H new ATOM 0 HG22 THR A 37 22.869 -1.025 0.318 1.00 0.49 H new ATOM 0 HG23 THR A 37 23.512 -2.204 -0.850 1.00 0.49 H new ATOM 583 N GLU A 38 19.879 0.635 -0.866 1.00 0.34 N ATOM 584 CA GLU A 38 18.970 1.008 0.207 1.00 0.34 C ATOM 585 C GLU A 38 17.789 0.059 0.198 1.00 0.34 C ATOM 586 O GLU A 38 17.292 -0.355 1.242 1.00 0.48 O ATOM 587 CB GLU A 38 18.475 2.444 0.051 1.00 0.35 C ATOM 588 CG GLU A 38 19.561 3.500 0.138 1.00 0.47 C ATOM 589 CD GLU A 38 19.002 4.906 0.017 1.00 1.27 C ATOM 590 OE1 GLU A 38 18.427 5.228 -1.037 1.00 1.96 O ATOM 591 OE2 GLU A 38 19.133 5.686 0.978 1.00 2.16 O ATOM 0 H GLU A 38 19.954 1.319 -1.619 1.00 0.34 H new ATOM 0 HA GLU A 38 19.506 0.943 1.154 1.00 0.34 H new ATOM 0 HB2 GLU A 38 17.971 2.538 -0.911 1.00 0.35 H new ATOM 0 HB3 GLU A 38 17.730 2.643 0.822 1.00 0.35 H new ATOM 0 HG2 GLU A 38 20.088 3.400 1.087 1.00 0.47 H new ATOM 0 HG3 GLU A 38 20.293 3.332 -0.652 1.00 0.47 H new ATOM 598 N PHE A 39 17.373 -0.303 -1.008 1.00 0.29 N ATOM 599 CA PHE A 39 16.251 -1.194 -1.215 1.00 0.31 C ATOM 600 C PHE A 39 16.659 -2.613 -0.893 1.00 0.28 C ATOM 601 O PHE A 39 15.864 -3.406 -0.392 1.00 0.27 O ATOM 602 CB PHE A 39 15.790 -1.094 -2.665 1.00 0.53 C ATOM 603 CG PHE A 39 14.510 -1.813 -2.949 1.00 0.81 C ATOM 604 CD1 PHE A 39 13.330 -1.413 -2.347 1.00 1.76 C ATOM 605 CD2 PHE A 39 14.488 -2.886 -3.820 1.00 1.78 C ATOM 606 CE1 PHE A 39 12.149 -2.072 -2.610 1.00 2.62 C ATOM 607 CE2 PHE A 39 13.311 -3.550 -4.088 1.00 2.66 C ATOM 608 CZ PHE A 39 12.138 -3.143 -3.483 1.00 2.88 C ATOM 0 H PHE A 39 17.810 0.018 -1.872 1.00 0.29 H new ATOM 0 HA PHE A 39 15.430 -0.909 -0.557 1.00 0.31 H new ATOM 0 HB2 PHE A 39 15.669 -0.042 -2.925 1.00 0.53 H new ATOM 0 HB3 PHE A 39 16.571 -1.495 -3.312 1.00 0.53 H new ATOM 0 HD1 PHE A 39 13.335 -0.576 -1.664 1.00 1.76 H new ATOM 0 HD2 PHE A 39 15.403 -3.207 -4.295 1.00 1.78 H new ATOM 0 HE1 PHE A 39 11.234 -1.752 -2.135 1.00 2.62 H new ATOM 0 HE2 PHE A 39 13.306 -4.387 -4.770 1.00 2.66 H new ATOM 0 HZ PHE A 39 11.214 -3.661 -3.692 1.00 2.88 H new ATOM 618 N LEU A 40 17.909 -2.920 -1.186 1.00 0.33 N ATOM 619 CA LEU A 40 18.472 -4.212 -0.861 1.00 0.37 C ATOM 620 C LEU A 40 18.448 -4.411 0.645 1.00 0.40 C ATOM 621 O LEU A 40 17.976 -5.431 1.146 1.00 0.43 O ATOM 622 CB LEU A 40 19.905 -4.310 -1.380 1.00 0.43 C ATOM 623 CG LEU A 40 20.089 -4.037 -2.876 1.00 0.50 C ATOM 624 CD1 LEU A 40 21.386 -4.642 -3.383 1.00 1.07 C ATOM 625 CD2 LEU A 40 18.899 -4.539 -3.675 1.00 0.46 C ATOM 0 H LEU A 40 18.556 -2.284 -1.652 1.00 0.33 H new ATOM 0 HA LEU A 40 17.877 -4.991 -1.337 1.00 0.37 H new ATOM 0 HB2 LEU A 40 20.523 -3.606 -0.822 1.00 0.43 H new ATOM 0 HB3 LEU A 40 20.283 -5.309 -1.162 1.00 0.43 H new ATOM 0 HG LEU A 40 20.148 -2.957 -3.015 1.00 0.50 H new ATOM 0 HD11 LEU A 40 21.493 -4.434 -4.448 1.00 1.07 H new ATOM 0 HD12 LEU A 40 22.226 -4.207 -2.842 1.00 1.07 H new ATOM 0 HD13 LEU A 40 21.371 -5.720 -3.224 1.00 1.07 H new ATOM 0 HD21 LEU A 40 19.058 -4.332 -4.733 1.00 0.46 H new ATOM 0 HD22 LEU A 40 18.789 -5.614 -3.528 1.00 0.46 H new ATOM 0 HD23 LEU A 40 17.995 -4.033 -3.338 1.00 0.46 H new ATOM 637 N SER A 41 18.941 -3.410 1.358 1.00 0.42 N ATOM 638 CA SER A 41 18.928 -3.421 2.808 1.00 0.52 C ATOM 639 C SER A 41 17.488 -3.452 3.306 1.00 0.45 C ATOM 640 O SER A 41 17.147 -4.235 4.190 1.00 0.47 O ATOM 641 CB SER A 41 19.659 -2.189 3.355 1.00 0.67 C ATOM 642 OG SER A 41 19.795 -2.253 4.764 1.00 1.40 O ATOM 0 H SER A 41 19.358 -2.574 0.949 1.00 0.42 H new ATOM 0 HA SER A 41 19.445 -4.312 3.164 1.00 0.52 H new ATOM 0 HB2 SER A 41 20.645 -2.115 2.896 1.00 0.67 H new ATOM 0 HB3 SER A 41 19.111 -1.287 3.081 1.00 0.67 H new ATOM 0 HG SER A 41 20.266 -1.455 5.084 1.00 1.40 H new ATOM 648 N PHE A 42 16.647 -2.608 2.706 1.00 0.42 N ATOM 649 CA PHE A 42 15.227 -2.540 3.040 1.00 0.46 C ATOM 650 C PHE A 42 14.576 -3.900 2.933 1.00 0.29 C ATOM 651 O PHE A 42 14.027 -4.405 3.893 1.00 0.43 O ATOM 652 CB PHE A 42 14.492 -1.576 2.108 1.00 0.80 C ATOM 653 CG PHE A 42 13.046 -1.407 2.476 1.00 1.89 C ATOM 654 CD1 PHE A 42 12.078 -2.255 1.962 1.00 2.77 C ATOM 655 CD2 PHE A 42 12.660 -0.418 3.362 1.00 2.69 C ATOM 656 CE1 PHE A 42 10.754 -2.119 2.328 1.00 3.80 C ATOM 657 CE2 PHE A 42 11.339 -0.273 3.727 1.00 3.73 C ATOM 658 CZ PHE A 42 10.385 -1.126 3.212 1.00 4.13 C ATOM 0 H PHE A 42 16.932 -1.954 1.977 1.00 0.42 H new ATOM 0 HA PHE A 42 15.158 -2.183 4.068 1.00 0.46 H new ATOM 0 HB2 PHE A 42 14.986 -0.604 2.134 1.00 0.80 H new ATOM 0 HB3 PHE A 42 14.562 -1.942 1.084 1.00 0.80 H new ATOM 0 HD1 PHE A 42 12.363 -3.031 1.267 1.00 2.77 H new ATOM 0 HD2 PHE A 42 13.403 0.249 3.773 1.00 2.69 H new ATOM 0 HE1 PHE A 42 10.009 -2.788 1.923 1.00 3.80 H new ATOM 0 HE2 PHE A 42 11.051 0.508 4.416 1.00 3.73 H new ATOM 0 HZ PHE A 42 9.350 -1.017 3.501 1.00 4.13 H new ATOM 668 N MET A 43 14.626 -4.490 1.760 1.00 0.26 N ATOM 669 CA MET A 43 13.935 -5.744 1.539 1.00 0.29 C ATOM 670 C MET A 43 14.472 -6.863 2.417 1.00 0.29 C ATOM 671 O MET A 43 13.714 -7.719 2.849 1.00 0.37 O ATOM 672 CB MET A 43 13.995 -6.160 0.084 1.00 0.39 C ATOM 673 CG MET A 43 13.096 -5.332 -0.821 1.00 0.62 C ATOM 674 SD MET A 43 12.555 -6.228 -2.291 1.00 1.22 S ATOM 675 CE MET A 43 11.482 -7.471 -1.570 1.00 2.26 C ATOM 0 H MET A 43 15.131 -4.128 0.951 1.00 0.26 H new ATOM 0 HA MET A 43 12.895 -5.570 1.815 1.00 0.29 H new ATOM 0 HB2 MET A 43 15.024 -6.079 -0.267 1.00 0.39 H new ATOM 0 HB3 MET A 43 13.712 -7.209 0.002 1.00 0.39 H new ATOM 0 HG2 MET A 43 12.221 -5.009 -0.257 1.00 0.62 H new ATOM 0 HG3 MET A 43 13.628 -4.431 -1.127 1.00 0.62 H new ATOM 0 HE1 MET A 43 11.882 -8.463 -1.781 1.00 2.26 H new ATOM 0 HE2 MET A 43 11.427 -7.323 -0.491 1.00 2.26 H new ATOM 0 HE3 MET A 43 10.484 -7.383 -1.999 1.00 2.26 H new ATOM 685 N ASN A 44 15.765 -6.869 2.695 1.00 0.29 N ATOM 686 CA ASN A 44 16.322 -7.912 3.547 1.00 0.33 C ATOM 687 C ASN A 44 15.980 -7.681 5.014 1.00 0.32 C ATOM 688 O ASN A 44 16.140 -8.581 5.836 1.00 0.39 O ATOM 689 CB ASN A 44 17.832 -8.022 3.412 1.00 0.42 C ATOM 690 CG ASN A 44 18.281 -8.759 2.166 1.00 1.05 C ATOM 691 OD1 ASN A 44 18.337 -9.986 2.149 1.00 1.54 O ATOM 692 ND2 ASN A 44 18.635 -8.023 1.130 1.00 1.83 N ATOM 0 H ASN A 44 16.437 -6.182 2.354 1.00 0.29 H new ATOM 0 HA ASN A 44 15.869 -8.844 3.208 1.00 0.33 H new ATOM 0 HB2 ASN A 44 18.261 -7.020 3.405 1.00 0.42 H new ATOM 0 HB3 ASN A 44 18.230 -8.533 4.289 1.00 0.42 H new ATOM 0 HD21 ASN A 44 18.969 -8.471 0.277 1.00 1.83 H new ATOM 0 HD22 ASN A 44 18.574 -7.006 1.182 1.00 1.83 H new ATOM 699 N THR A 45 15.543 -6.476 5.355 1.00 0.26 N ATOM 700 CA THR A 45 15.168 -6.180 6.739 1.00 0.29 C ATOM 701 C THR A 45 13.660 -6.105 6.914 1.00 0.28 C ATOM 702 O THR A 45 13.053 -6.917 7.611 1.00 0.34 O ATOM 703 CB THR A 45 15.767 -4.845 7.211 1.00 0.29 C ATOM 704 OG1 THR A 45 15.566 -3.844 6.209 1.00 0.34 O ATOM 705 CG2 THR A 45 17.250 -4.985 7.513 1.00 0.34 C ATOM 0 H THR A 45 15.439 -5.696 4.707 1.00 0.26 H new ATOM 0 HA THR A 45 15.565 -7.000 7.338 1.00 0.29 H new ATOM 0 HB THR A 45 15.261 -4.549 8.130 1.00 0.29 H new ATOM 0 HG1 THR A 45 16.183 -3.999 5.464 1.00 0.34 H new ATOM 0 HG21 THR A 45 17.646 -4.025 7.844 1.00 0.34 H new ATOM 0 HG22 THR A 45 17.393 -5.727 8.298 1.00 0.34 H new ATOM 0 HG23 THR A 45 17.776 -5.303 6.613 1.00 0.34 H new ATOM 713 N GLU A 46 13.072 -5.139 6.239 1.00 0.23 N ATOM 714 CA GLU A 46 11.670 -4.820 6.381 1.00 0.25 C ATOM 715 C GLU A 46 10.801 -5.794 5.599 1.00 0.25 C ATOM 716 O GLU A 46 9.593 -5.835 5.779 1.00 0.34 O ATOM 717 CB GLU A 46 11.417 -3.390 5.909 1.00 0.29 C ATOM 718 CG GLU A 46 12.243 -2.348 6.646 1.00 0.58 C ATOM 719 CD GLU A 46 11.881 -2.250 8.113 1.00 1.17 C ATOM 720 OE1 GLU A 46 12.485 -2.969 8.934 1.00 1.70 O ATOM 721 OE2 GLU A 46 10.998 -1.439 8.456 1.00 1.68 O ATOM 0 H GLU A 46 13.562 -4.547 5.568 1.00 0.23 H new ATOM 0 HA GLU A 46 11.403 -4.906 7.434 1.00 0.25 H new ATOM 0 HB2 GLU A 46 11.634 -3.325 4.843 1.00 0.29 H new ATOM 0 HB3 GLU A 46 10.359 -3.157 6.034 1.00 0.29 H new ATOM 0 HG2 GLU A 46 13.300 -2.595 6.552 1.00 0.58 H new ATOM 0 HG3 GLU A 46 12.100 -1.376 6.174 1.00 0.58 H new ATOM 728 N LEU A 47 11.406 -6.566 4.716 1.00 0.25 N ATOM 729 CA LEU A 47 10.662 -7.572 3.974 1.00 0.26 C ATOM 730 C LEU A 47 11.393 -8.894 3.991 1.00 0.28 C ATOM 731 O LEU A 47 11.259 -9.702 3.073 1.00 0.30 O ATOM 732 CB LEU A 47 10.431 -7.122 2.536 1.00 0.26 C ATOM 733 CG LEU A 47 9.555 -5.884 2.389 1.00 0.27 C ATOM 734 CD1 LEU A 47 9.467 -5.470 0.935 1.00 0.32 C ATOM 735 CD2 LEU A 47 8.171 -6.153 2.962 1.00 0.27 C ATOM 0 H LEU A 47 12.401 -6.519 4.495 1.00 0.25 H new ATOM 0 HA LEU A 47 9.694 -7.700 4.458 1.00 0.26 H new ATOM 0 HB2 LEU A 47 11.397 -6.924 2.072 1.00 0.26 H new ATOM 0 HB3 LEU A 47 9.974 -7.942 1.982 1.00 0.26 H new ATOM 0 HG LEU A 47 10.005 -5.063 2.948 1.00 0.27 H new ATOM 0 HD11 LEU A 47 8.838 -4.584 0.846 1.00 0.32 H new ATOM 0 HD12 LEU A 47 10.465 -5.245 0.560 1.00 0.32 H new ATOM 0 HD13 LEU A 47 9.034 -6.282 0.351 1.00 0.32 H new ATOM 0 HD21 LEU A 47 7.552 -5.262 2.852 1.00 0.27 H new ATOM 0 HD22 LEU A 47 7.710 -6.983 2.426 1.00 0.27 H new ATOM 0 HD23 LEU A 47 8.258 -6.407 4.019 1.00 0.27 H new ATOM 747 N ALA A 48 12.185 -9.099 5.032 1.00 0.32 N ATOM 748 CA ALA A 48 12.943 -10.325 5.194 1.00 0.36 C ATOM 749 C ALA A 48 12.031 -11.546 5.188 1.00 0.39 C ATOM 750 O ALA A 48 12.457 -12.643 4.824 1.00 0.44 O ATOM 751 CB ALA A 48 13.749 -10.256 6.474 1.00 0.41 C ATOM 0 H ALA A 48 12.319 -8.423 5.784 1.00 0.32 H new ATOM 0 HA ALA A 48 13.624 -10.429 4.350 1.00 0.36 H new ATOM 0 HB1 ALA A 48 14.318 -11.177 6.595 1.00 0.41 H new ATOM 0 HB2 ALA A 48 14.434 -9.409 6.427 1.00 0.41 H new ATOM 0 HB3 ALA A 48 13.075 -10.131 7.322 1.00 0.41 H new ATOM 757 N ALA A 49 10.781 -11.342 5.580 1.00 0.38 N ATOM 758 CA ALA A 49 9.772 -12.391 5.533 1.00 0.41 C ATOM 759 C ALA A 49 9.629 -12.942 4.121 1.00 0.41 C ATOM 760 O ALA A 49 9.553 -14.153 3.914 1.00 0.47 O ATOM 761 CB ALA A 49 8.441 -11.840 6.015 1.00 0.44 C ATOM 0 H ALA A 49 10.439 -10.450 5.938 1.00 0.38 H new ATOM 0 HA ALA A 49 10.085 -13.206 6.186 1.00 0.41 H new ATOM 0 HB1 ALA A 49 7.687 -12.626 5.979 1.00 0.44 H new ATOM 0 HB2 ALA A 49 8.545 -11.483 7.040 1.00 0.44 H new ATOM 0 HB3 ALA A 49 8.135 -11.014 5.373 1.00 0.44 H new ATOM 767 N PHE A 50 9.588 -12.038 3.161 1.00 0.36 N ATOM 768 CA PHE A 50 9.453 -12.402 1.762 1.00 0.37 C ATOM 769 C PHE A 50 10.820 -12.693 1.152 1.00 0.38 C ATOM 770 O PHE A 50 11.036 -13.733 0.529 1.00 0.44 O ATOM 771 CB PHE A 50 8.786 -11.252 1.012 1.00 0.35 C ATOM 772 CG PHE A 50 8.357 -11.602 -0.386 1.00 0.70 C ATOM 773 CD1 PHE A 50 7.101 -12.139 -0.620 1.00 1.63 C ATOM 774 CD2 PHE A 50 9.204 -11.396 -1.463 1.00 1.32 C ATOM 775 CE1 PHE A 50 6.698 -12.464 -1.901 1.00 2.09 C ATOM 776 CE2 PHE A 50 8.808 -11.720 -2.746 1.00 1.66 C ATOM 777 CZ PHE A 50 7.553 -12.256 -2.966 1.00 1.80 C ATOM 0 H PHE A 50 9.647 -11.033 3.327 1.00 0.36 H new ATOM 0 HA PHE A 50 8.842 -13.301 1.682 1.00 0.37 H new ATOM 0 HB2 PHE A 50 7.914 -10.921 1.576 1.00 0.35 H new ATOM 0 HB3 PHE A 50 9.477 -10.410 0.969 1.00 0.35 H new ATOM 0 HD1 PHE A 50 6.429 -12.305 0.209 1.00 1.63 H new ATOM 0 HD2 PHE A 50 10.186 -10.977 -1.297 1.00 1.32 H new ATOM 0 HE1 PHE A 50 5.716 -12.880 -2.070 1.00 2.09 H new ATOM 0 HE2 PHE A 50 9.478 -11.555 -3.577 1.00 1.66 H new ATOM 0 HZ PHE A 50 7.242 -12.512 -3.968 1.00 1.80 H new ATOM 787 N THR A 51 11.734 -11.758 1.364 1.00 0.36 N ATOM 788 CA THR A 51 13.062 -11.786 0.770 1.00 0.40 C ATOM 789 C THR A 51 13.829 -13.059 1.103 1.00 0.45 C ATOM 790 O THR A 51 14.296 -13.765 0.210 1.00 0.54 O ATOM 791 CB THR A 51 13.862 -10.570 1.264 1.00 0.39 C ATOM 792 OG1 THR A 51 13.260 -9.367 0.780 1.00 0.39 O ATOM 793 CG2 THR A 51 15.320 -10.640 0.838 1.00 0.49 C ATOM 0 H THR A 51 11.572 -10.947 1.962 1.00 0.36 H new ATOM 0 HA THR A 51 12.935 -11.757 -0.312 1.00 0.40 H new ATOM 0 HB THR A 51 13.842 -10.575 2.354 1.00 0.39 H new ATOM 0 HG1 THR A 51 13.063 -8.773 1.534 1.00 0.39 H new ATOM 0 HG21 THR A 51 15.850 -9.762 1.207 1.00 0.49 H new ATOM 0 HG22 THR A 51 15.777 -11.540 1.251 1.00 0.49 H new ATOM 0 HG23 THR A 51 15.380 -10.669 -0.250 1.00 0.49 H new ATOM 801 N LYS A 52 13.942 -13.357 2.389 1.00 0.48 N ATOM 802 CA LYS A 52 14.766 -14.465 2.840 1.00 0.60 C ATOM 803 C LYS A 52 14.074 -15.789 2.601 1.00 0.69 C ATOM 804 O LYS A 52 14.682 -16.854 2.708 1.00 0.84 O ATOM 805 CB LYS A 52 15.094 -14.309 4.316 1.00 0.70 C ATOM 806 CG LYS A 52 15.972 -13.103 4.601 1.00 0.78 C ATOM 807 CD LYS A 52 16.275 -12.960 6.080 1.00 1.07 C ATOM 808 CE LYS A 52 17.219 -11.799 6.337 1.00 1.24 C ATOM 809 NZ LYS A 52 18.594 -12.074 5.840 1.00 1.82 N ATOM 0 H LYS A 52 13.473 -12.846 3.137 1.00 0.48 H new ATOM 0 HA LYS A 52 15.692 -14.454 2.265 1.00 0.60 H new ATOM 0 HB2 LYS A 52 14.167 -14.219 4.882 1.00 0.70 H new ATOM 0 HB3 LYS A 52 15.596 -15.210 4.669 1.00 0.70 H new ATOM 0 HG2 LYS A 52 16.906 -13.195 4.046 1.00 0.78 H new ATOM 0 HG3 LYS A 52 15.476 -12.201 4.243 1.00 0.78 H new ATOM 0 HD2 LYS A 52 15.347 -12.806 6.631 1.00 1.07 H new ATOM 0 HD3 LYS A 52 16.719 -13.883 6.454 1.00 1.07 H new ATOM 0 HE2 LYS A 52 16.831 -10.903 5.852 1.00 1.24 H new ATOM 0 HE3 LYS A 52 17.255 -11.592 7.407 1.00 1.24 H new ATOM 0 HZ1 LYS A 52 19.244 -11.345 6.197 1.00 1.82 H new ATOM 0 HZ2 LYS A 52 18.904 -13.008 6.175 1.00 1.82 H new ATOM 0 HZ3 LYS A 52 18.596 -12.061 4.800 1.00 1.82 H new ATOM 902 N GLY A 58 18.844 -12.170 -6.039 1.00 0.67 N ATOM 903 CA GLY A 58 18.570 -11.585 -7.336 1.00 0.56 C ATOM 904 C GLY A 58 17.139 -11.120 -7.464 1.00 0.49 C ATOM 905 O GLY A 58 16.801 -10.381 -8.383 1.00 0.48 O ATOM 0 HA2 GLY A 58 19.240 -10.741 -7.500 1.00 0.56 H new ATOM 0 HA3 GLY A 58 18.783 -12.317 -8.115 1.00 0.56 H new ATOM 909 N VAL A 59 16.297 -11.543 -6.535 1.00 0.52 N ATOM 910 CA VAL A 59 14.890 -11.181 -6.567 1.00 0.52 C ATOM 911 C VAL A 59 14.685 -9.702 -6.309 1.00 0.49 C ATOM 912 O VAL A 59 13.871 -9.064 -6.970 1.00 0.49 O ATOM 913 CB VAL A 59 14.067 -11.996 -5.550 1.00 0.61 C ATOM 914 CG1 VAL A 59 14.623 -11.830 -4.145 1.00 0.65 C ATOM 915 CG2 VAL A 59 12.607 -11.583 -5.591 1.00 0.66 C ATOM 0 H VAL A 59 16.564 -12.137 -5.750 1.00 0.52 H new ATOM 0 HA VAL A 59 14.537 -11.415 -7.572 1.00 0.52 H new ATOM 0 HB VAL A 59 14.139 -13.048 -5.825 1.00 0.61 H new ATOM 0 HG11 VAL A 59 14.025 -12.415 -3.446 1.00 0.65 H new ATOM 0 HG12 VAL A 59 15.656 -12.178 -4.119 1.00 0.65 H new ATOM 0 HG13 VAL A 59 14.587 -10.778 -3.862 1.00 0.65 H new ATOM 0 HG21 VAL A 59 12.042 -12.170 -4.866 1.00 0.66 H new ATOM 0 HG22 VAL A 59 12.521 -10.524 -5.347 1.00 0.66 H new ATOM 0 HG23 VAL A 59 12.207 -11.758 -6.590 1.00 0.66 H new ATOM 925 N LEU A 60 15.431 -9.149 -5.366 1.00 0.48 N ATOM 926 CA LEU A 60 15.300 -7.735 -5.055 1.00 0.46 C ATOM 927 C LEU A 60 15.746 -6.930 -6.257 1.00 0.43 C ATOM 928 O LEU A 60 15.322 -5.795 -6.470 1.00 0.41 O ATOM 929 CB LEU A 60 16.138 -7.344 -3.844 1.00 0.48 C ATOM 930 CG LEU A 60 16.156 -8.357 -2.699 1.00 0.51 C ATOM 931 CD1 LEU A 60 16.962 -7.821 -1.525 1.00 0.51 C ATOM 932 CD2 LEU A 60 14.742 -8.700 -2.269 1.00 0.52 C ATOM 0 H LEU A 60 16.124 -9.649 -4.810 1.00 0.48 H new ATOM 0 HA LEU A 60 14.256 -7.529 -4.817 1.00 0.46 H new ATOM 0 HB2 LEU A 60 17.163 -7.176 -4.173 1.00 0.48 H new ATOM 0 HB3 LEU A 60 15.767 -6.394 -3.459 1.00 0.48 H new ATOM 0 HG LEU A 60 16.635 -9.270 -3.053 1.00 0.51 H new ATOM 0 HD11 LEU A 60 16.964 -8.555 -0.719 1.00 0.51 H new ATOM 0 HD12 LEU A 60 17.987 -7.630 -1.844 1.00 0.51 H new ATOM 0 HD13 LEU A 60 16.514 -6.893 -1.169 1.00 0.51 H new ATOM 0 HD21 LEU A 60 14.775 -9.422 -1.453 1.00 0.52 H new ATOM 0 HD22 LEU A 60 14.234 -7.796 -1.933 1.00 0.52 H new ATOM 0 HD23 LEU A 60 14.199 -9.129 -3.112 1.00 0.52 H new ATOM 944 N ASP A 61 16.604 -7.557 -7.044 1.00 0.46 N ATOM 945 CA ASP A 61 17.112 -6.961 -8.267 1.00 0.46 C ATOM 946 C ASP A 61 16.008 -6.924 -9.304 1.00 0.47 C ATOM 947 O ASP A 61 15.865 -5.959 -10.057 1.00 0.51 O ATOM 948 CB ASP A 61 18.294 -7.774 -8.793 1.00 0.47 C ATOM 949 CG ASP A 61 19.220 -6.961 -9.677 1.00 0.48 C ATOM 950 OD1 ASP A 61 18.972 -6.882 -10.896 1.00 1.19 O ATOM 951 OD2 ASP A 61 20.211 -6.404 -9.155 1.00 1.22 O ATOM 0 H ASP A 61 16.967 -8.491 -6.853 1.00 0.46 H new ATOM 0 HA ASP A 61 17.449 -5.945 -8.061 1.00 0.46 H new ATOM 0 HB2 ASP A 61 18.860 -8.171 -7.950 1.00 0.47 H new ATOM 0 HB3 ASP A 61 17.919 -8.629 -9.356 1.00 0.47 H new ATOM 956 N ARG A 62 15.217 -7.982 -9.308 1.00 0.47 N ATOM 957 CA ARG A 62 14.078 -8.095 -10.198 1.00 0.51 C ATOM 958 C ARG A 62 12.998 -7.114 -9.782 1.00 0.50 C ATOM 959 O ARG A 62 12.383 -6.470 -10.626 1.00 0.56 O ATOM 960 CB ARG A 62 13.546 -9.525 -10.176 1.00 0.55 C ATOM 961 CG ARG A 62 14.626 -10.547 -10.466 1.00 0.55 C ATOM 962 CD ARG A 62 14.149 -11.967 -10.263 1.00 0.62 C ATOM 963 NE ARG A 62 15.226 -12.917 -10.521 1.00 1.45 N ATOM 964 CZ ARG A 62 15.681 -13.794 -9.633 1.00 1.97 C ATOM 965 NH1 ARG A 62 15.052 -13.974 -8.477 1.00 1.66 N ATOM 966 NH2 ARG A 62 16.749 -14.519 -9.916 1.00 3.02 N ATOM 0 H ARG A 62 15.347 -8.786 -8.694 1.00 0.47 H new ATOM 0 HA ARG A 62 14.388 -7.855 -11.215 1.00 0.51 H new ATOM 0 HB2 ARG A 62 13.107 -9.731 -9.200 1.00 0.55 H new ATOM 0 HB3 ARG A 62 12.748 -9.624 -10.912 1.00 0.55 H new ATOM 0 HG2 ARG A 62 14.970 -10.426 -11.493 1.00 0.55 H new ATOM 0 HG3 ARG A 62 15.483 -10.359 -9.819 1.00 0.55 H new ATOM 0 HD2 ARG A 62 13.785 -12.091 -9.243 1.00 0.62 H new ATOM 0 HD3 ARG A 62 13.310 -12.172 -10.928 1.00 0.62 H new ATOM 0 HE ARG A 62 15.658 -12.907 -11.445 1.00 1.45 H new ATOM 0 HH11 ARG A 62 14.212 -13.436 -8.265 1.00 1.66 H new ATOM 0 HH12 ARG A 62 15.409 -14.650 -7.802 1.00 1.66 H new ATOM 0 HH21 ARG A 62 17.220 -14.404 -10.813 1.00 3.02 H new ATOM 0 HH22 ARG A 62 17.102 -15.194 -9.237 1.00 3.02 H new ATOM 980 N MET A 63 12.782 -6.992 -8.472 1.00 0.45 N ATOM 981 CA MET A 63 11.836 -6.016 -7.942 1.00 0.44 C ATOM 982 C MET A 63 12.228 -4.636 -8.397 1.00 0.41 C ATOM 983 O MET A 63 11.434 -3.937 -9.013 1.00 0.42 O ATOM 984 CB MET A 63 11.799 -6.019 -6.418 1.00 0.43 C ATOM 985 CG MET A 63 11.521 -7.376 -5.820 1.00 0.49 C ATOM 986 SD MET A 63 9.912 -8.017 -6.336 1.00 0.64 S ATOM 987 CE MET A 63 9.773 -9.484 -5.320 1.00 1.54 C ATOM 0 H MET A 63 13.249 -7.556 -7.762 1.00 0.45 H new ATOM 0 HA MET A 63 10.849 -6.290 -8.315 1.00 0.44 H new ATOM 0 HB2 MET A 63 12.754 -5.654 -6.040 1.00 0.43 H new ATOM 0 HB3 MET A 63 11.034 -5.320 -6.081 1.00 0.43 H new ATOM 0 HG2 MET A 63 12.304 -8.073 -6.120 1.00 0.49 H new ATOM 0 HG3 MET A 63 11.554 -7.308 -4.733 1.00 0.49 H new ATOM 0 HE1 MET A 63 9.860 -10.371 -5.948 1.00 1.54 H new ATOM 0 HE2 MET A 63 10.569 -9.487 -4.575 1.00 1.54 H new ATOM 0 HE3 MET A 63 8.806 -9.488 -4.818 1.00 1.54 H new ATOM 997 N MET A 64 13.469 -4.269 -8.097 1.00 0.41 N ATOM 998 CA MET A 64 13.999 -2.971 -8.467 1.00 0.42 C ATOM 999 C MET A 64 13.663 -2.644 -9.907 1.00 0.44 C ATOM 1000 O MET A 64 13.001 -1.659 -10.172 1.00 0.41 O ATOM 1001 CB MET A 64 15.514 -2.924 -8.259 1.00 0.55 C ATOM 1002 CG MET A 64 16.159 -1.640 -8.764 1.00 0.65 C ATOM 1003 SD MET A 64 15.470 -0.157 -8.008 1.00 1.87 S ATOM 1004 CE MET A 64 15.794 -0.463 -6.275 1.00 2.41 C ATOM 0 H MET A 64 14.129 -4.862 -7.594 1.00 0.41 H new ATOM 0 HA MET A 64 13.535 -2.224 -7.822 1.00 0.42 H new ATOM 0 HB2 MET A 64 15.730 -3.036 -7.197 1.00 0.55 H new ATOM 0 HB3 MET A 64 15.969 -3.774 -8.768 1.00 0.55 H new ATOM 0 HG2 MET A 64 17.230 -1.677 -8.567 1.00 0.65 H new ATOM 0 HG3 MET A 64 16.036 -1.580 -9.845 1.00 0.65 H new ATOM 0 HE1 MET A 64 16.041 0.476 -5.780 1.00 2.41 H new ATOM 0 HE2 MET A 64 14.908 -0.897 -5.810 1.00 2.41 H new ATOM 0 HE3 MET A 64 16.630 -1.155 -6.178 1.00 2.41 H new ATOM 1014 N LYS A 65 14.056 -3.499 -10.834 1.00 0.52 N ATOM 1015 CA LYS A 65 13.888 -3.171 -12.248 1.00 0.56 C ATOM 1016 C LYS A 65 12.446 -3.355 -12.721 1.00 0.54 C ATOM 1017 O LYS A 65 12.032 -2.750 -13.711 1.00 0.60 O ATOM 1018 CB LYS A 65 14.855 -3.963 -13.124 1.00 0.66 C ATOM 1019 CG LYS A 65 16.315 -3.570 -12.921 1.00 0.79 C ATOM 1020 CD LYS A 65 16.524 -2.055 -12.992 1.00 0.86 C ATOM 1021 CE LYS A 65 16.033 -1.466 -14.309 1.00 1.57 C ATOM 1022 NZ LYS A 65 16.217 0.010 -14.368 1.00 2.49 N ATOM 0 H LYS A 65 14.484 -4.406 -10.646 1.00 0.52 H new ATOM 0 HA LYS A 65 14.127 -2.112 -12.351 1.00 0.56 H new ATOM 0 HB2 LYS A 65 14.739 -5.026 -12.911 1.00 0.66 H new ATOM 0 HB3 LYS A 65 14.589 -3.817 -14.171 1.00 0.66 H new ATOM 0 HG2 LYS A 65 16.656 -3.937 -11.953 1.00 0.79 H new ATOM 0 HG3 LYS A 65 16.929 -4.055 -13.680 1.00 0.79 H new ATOM 0 HD2 LYS A 65 15.998 -1.578 -12.165 1.00 0.86 H new ATOM 0 HD3 LYS A 65 17.583 -1.830 -12.868 1.00 0.86 H new ATOM 0 HE2 LYS A 65 16.570 -1.931 -15.136 1.00 1.57 H new ATOM 0 HE3 LYS A 65 14.978 -1.704 -14.441 1.00 1.57 H new ATOM 0 HZ1 LYS A 65 16.147 0.329 -15.355 1.00 2.49 H new ATOM 0 HZ2 LYS A 65 15.480 0.475 -13.801 1.00 2.49 H new ATOM 0 HZ3 LYS A 65 17.153 0.259 -13.989 1.00 2.49 H new ATOM 1036 N LYS A 66 11.683 -4.182 -12.020 1.00 0.50 N ATOM 1037 CA LYS A 66 10.255 -4.316 -12.294 1.00 0.52 C ATOM 1038 C LYS A 66 9.531 -3.040 -11.901 1.00 0.48 C ATOM 1039 O LYS A 66 8.713 -2.507 -12.652 1.00 0.55 O ATOM 1040 CB LYS A 66 9.658 -5.484 -11.503 1.00 0.55 C ATOM 1041 CG LYS A 66 8.139 -5.569 -11.591 1.00 0.91 C ATOM 1042 CD LYS A 66 7.585 -6.712 -10.748 1.00 0.96 C ATOM 1043 CE LYS A 66 7.932 -6.557 -9.272 1.00 0.73 C ATOM 1044 NZ LYS A 66 7.396 -7.677 -8.454 1.00 1.47 N ATOM 0 H LYS A 66 12.025 -4.769 -11.259 1.00 0.50 H new ATOM 0 HA LYS A 66 10.131 -4.504 -13.361 1.00 0.52 H new ATOM 0 HB2 LYS A 66 10.087 -6.417 -11.869 1.00 0.55 H new ATOM 0 HB3 LYS A 66 9.948 -5.389 -10.457 1.00 0.55 H new ATOM 0 HG2 LYS A 66 7.703 -4.627 -11.258 1.00 0.91 H new ATOM 0 HG3 LYS A 66 7.843 -5.708 -12.631 1.00 0.91 H new ATOM 0 HD2 LYS A 66 6.502 -6.754 -10.863 1.00 0.96 H new ATOM 0 HD3 LYS A 66 7.982 -7.658 -11.116 1.00 0.96 H new ATOM 0 HE2 LYS A 66 9.015 -6.510 -9.157 1.00 0.73 H new ATOM 0 HE3 LYS A 66 7.531 -5.613 -8.902 1.00 0.73 H new ATOM 0 HZ1 LYS A 66 8.084 -7.928 -7.716 1.00 1.47 H new ATOM 0 HZ2 LYS A 66 6.502 -7.386 -8.010 1.00 1.47 H new ATOM 0 HZ3 LYS A 66 7.227 -8.502 -9.064 1.00 1.47 H new ATOM 1058 N LEU A 67 9.856 -2.558 -10.719 1.00 0.41 N ATOM 1059 CA LEU A 67 9.164 -1.435 -10.123 1.00 0.39 C ATOM 1060 C LEU A 67 9.705 -0.116 -10.635 1.00 0.40 C ATOM 1061 O LEU A 67 8.937 0.821 -10.816 1.00 0.46 O ATOM 1062 CB LEU A 67 9.320 -1.496 -8.618 1.00 0.34 C ATOM 1063 CG LEU A 67 8.950 -2.841 -7.994 1.00 0.33 C ATOM 1064 CD1 LEU A 67 9.438 -2.916 -6.563 1.00 0.30 C ATOM 1065 CD2 LEU A 67 7.449 -3.077 -8.067 1.00 0.37 C ATOM 0 H LEU A 67 10.609 -2.935 -10.144 1.00 0.41 H new ATOM 0 HA LEU A 67 8.111 -1.496 -10.397 1.00 0.39 H new ATOM 0 HB2 LEU A 67 10.354 -1.265 -8.363 1.00 0.34 H new ATOM 0 HB3 LEU A 67 8.700 -0.720 -8.170 1.00 0.34 H new ATOM 0 HG LEU A 67 9.442 -3.629 -8.564 1.00 0.33 H new ATOM 0 HD11 LEU A 67 9.165 -3.881 -6.136 1.00 0.30 H new ATOM 0 HD12 LEU A 67 10.522 -2.803 -6.542 1.00 0.30 H new ATOM 0 HD13 LEU A 67 8.979 -2.118 -5.980 1.00 0.30 H new ATOM 0 HD21 LEU A 67 7.210 -4.040 -7.617 1.00 0.37 H new ATOM 0 HD22 LEU A 67 6.930 -2.285 -7.527 1.00 0.37 H new ATOM 0 HD23 LEU A 67 7.131 -3.075 -9.109 1.00 0.37 H new ATOM 1077 N ASP A 68 11.029 -0.063 -10.844 1.00 0.40 N ATOM 1078 CA ASP A 68 11.729 1.143 -11.311 1.00 0.42 C ATOM 1079 C ASP A 68 11.213 1.557 -12.671 1.00 0.52 C ATOM 1080 O ASP A 68 11.824 1.315 -13.715 1.00 0.56 O ATOM 1081 CB ASP A 68 13.242 0.901 -11.355 1.00 0.43 C ATOM 1082 CG ASP A 68 14.030 2.027 -12.007 1.00 0.46 C ATOM 1083 OD1 ASP A 68 13.764 3.212 -11.714 1.00 1.13 O ATOM 1084 OD2 ASP A 68 14.924 1.725 -12.827 1.00 1.23 O ATOM 0 H ASP A 68 11.647 -0.860 -10.693 1.00 0.40 H new ATOM 0 HA ASP A 68 11.534 1.953 -10.609 1.00 0.42 H new ATOM 0 HB2 ASP A 68 13.606 0.758 -10.338 1.00 0.43 H new ATOM 0 HB3 ASP A 68 13.436 -0.025 -11.896 1.00 0.43 H new ATOM 1089 N THR A 69 10.056 2.147 -12.630 1.00 0.59 N ATOM 1090 CA THR A 69 9.384 2.617 -13.809 1.00 0.74 C ATOM 1091 C THR A 69 9.881 4.012 -14.154 1.00 0.84 C ATOM 1092 O THR A 69 9.673 4.517 -15.257 1.00 0.99 O ATOM 1093 CB THR A 69 7.870 2.606 -13.563 1.00 0.79 C ATOM 1094 OG1 THR A 69 7.150 2.618 -14.805 1.00 0.90 O ATOM 1095 CG2 THR A 69 7.458 3.802 -12.732 1.00 0.83 C ATOM 0 H THR A 69 9.543 2.319 -11.765 1.00 0.59 H new ATOM 0 HA THR A 69 9.599 1.964 -14.654 1.00 0.74 H new ATOM 0 HB THR A 69 7.628 1.691 -13.022 1.00 0.79 H new ATOM 0 HG1 THR A 69 6.187 2.609 -14.625 1.00 0.90 H new ATOM 0 HG21 THR A 69 6.381 3.777 -12.568 1.00 0.83 H new ATOM 0 HG22 THR A 69 7.972 3.772 -11.771 1.00 0.83 H new ATOM 0 HG23 THR A 69 7.724 4.719 -13.258 1.00 0.83 H new ATOM 1103 N ASN A 70 10.566 4.614 -13.194 1.00 0.80 N ATOM 1104 CA ASN A 70 11.197 5.902 -13.390 1.00 0.94 C ATOM 1105 C ASN A 70 12.476 5.709 -14.187 1.00 0.86 C ATOM 1106 O ASN A 70 13.044 6.650 -14.742 1.00 0.97 O ATOM 1107 CB ASN A 70 11.516 6.515 -12.029 1.00 1.01 C ATOM 1108 CG ASN A 70 11.876 7.988 -12.100 1.00 1.25 C ATOM 1109 OD1 ASN A 70 13.038 8.350 -12.294 1.00 1.46 O ATOM 1110 ND2 ASN A 70 10.891 8.851 -11.912 1.00 1.66 N ATOM 0 H ASN A 70 10.698 4.222 -12.262 1.00 0.80 H new ATOM 0 HA ASN A 70 10.530 6.570 -13.935 1.00 0.94 H new ATOM 0 HB2 ASN A 70 10.655 6.390 -11.372 1.00 1.01 H new ATOM 0 HB3 ASN A 70 12.344 5.968 -11.577 1.00 1.01 H new ATOM 0 HD21 ASN A 70 11.081 9.853 -11.925 1.00 1.66 H new ATOM 0 HD22 ASN A 70 9.941 8.514 -11.754 1.00 1.66 H new ATOM 1117 N SER A 71 12.891 4.443 -14.241 1.00 0.70 N ATOM 1118 CA SER A 71 14.066 4.012 -14.978 1.00 0.66 C ATOM 1119 C SER A 71 15.306 4.740 -14.487 1.00 0.61 C ATOM 1120 O SER A 71 16.196 5.089 -15.264 1.00 0.65 O ATOM 1121 CB SER A 71 13.859 4.216 -16.479 1.00 0.82 C ATOM 1122 OG SER A 71 12.679 3.559 -16.918 1.00 1.47 O ATOM 0 H SER A 71 12.409 3.681 -13.765 1.00 0.70 H new ATOM 0 HA SER A 71 14.216 2.947 -14.801 1.00 0.66 H new ATOM 0 HB2 SER A 71 13.792 5.281 -16.700 1.00 0.82 H new ATOM 0 HB3 SER A 71 14.720 3.831 -17.025 1.00 0.82 H new ATOM 0 HG SER A 71 12.563 3.703 -17.880 1.00 1.47 H new ATOM 1128 N ASP A 72 15.361 4.945 -13.182 1.00 0.58 N ATOM 1129 CA ASP A 72 16.454 5.677 -12.569 1.00 0.65 C ATOM 1130 C ASP A 72 17.374 4.713 -11.836 1.00 0.56 C ATOM 1131 O ASP A 72 18.528 5.028 -11.546 1.00 0.66 O ATOM 1132 CB ASP A 72 15.904 6.724 -11.596 1.00 0.80 C ATOM 1133 CG ASP A 72 16.962 7.695 -11.112 1.00 0.93 C ATOM 1134 OD1 ASP A 72 17.193 8.715 -11.796 1.00 1.56 O ATOM 1135 OD2 ASP A 72 17.557 7.456 -10.043 1.00 1.53 O ATOM 0 H ASP A 72 14.656 4.612 -12.524 1.00 0.58 H new ATOM 0 HA ASP A 72 17.022 6.186 -13.347 1.00 0.65 H new ATOM 0 HB2 ASP A 72 15.104 7.280 -12.084 1.00 0.80 H new ATOM 0 HB3 ASP A 72 15.463 6.218 -10.737 1.00 0.80 H new ATOM 1140 N GLY A 73 16.859 3.521 -11.560 1.00 0.45 N ATOM 1141 CA GLY A 73 17.633 2.533 -10.835 1.00 0.46 C ATOM 1142 C GLY A 73 17.350 2.601 -9.355 1.00 0.41 C ATOM 1143 O GLY A 73 18.067 2.017 -8.539 1.00 0.44 O ATOM 0 H GLY A 73 15.921 3.222 -11.825 1.00 0.45 H new ATOM 0 HA2 GLY A 73 17.397 1.536 -11.208 1.00 0.46 H new ATOM 0 HA3 GLY A 73 18.696 2.697 -11.013 1.00 0.46 H new ATOM 1147 N GLN A 74 16.304 3.337 -9.023 1.00 0.38 N ATOM 1148 CA GLN A 74 15.843 3.486 -7.662 1.00 0.37 C ATOM 1149 C GLN A 74 14.341 3.342 -7.656 1.00 0.36 C ATOM 1150 O GLN A 74 13.707 3.397 -8.708 1.00 0.39 O ATOM 1151 CB GLN A 74 16.190 4.866 -7.111 1.00 0.38 C ATOM 1152 CG GLN A 74 17.654 5.232 -7.192 1.00 0.42 C ATOM 1153 CD GLN A 74 17.936 6.591 -6.593 1.00 0.50 C ATOM 1154 OE1 GLN A 74 18.210 6.710 -5.404 1.00 1.03 O ATOM 1155 NE2 GLN A 74 17.862 7.626 -7.411 1.00 1.25 N ATOM 0 H GLN A 74 15.746 3.853 -9.703 1.00 0.38 H new ATOM 0 HA GLN A 74 16.325 2.729 -7.043 1.00 0.37 H new ATOM 0 HB2 GLN A 74 15.613 5.614 -7.654 1.00 0.38 H new ATOM 0 HB3 GLN A 74 15.875 4.915 -6.069 1.00 0.38 H new ATOM 0 HG2 GLN A 74 18.245 4.478 -6.672 1.00 0.42 H new ATOM 0 HG3 GLN A 74 17.972 5.223 -8.235 1.00 0.42 H new ATOM 0 HE21 GLN A 74 17.631 7.483 -8.394 1.00 1.25 H new ATOM 0 HE22 GLN A 74 18.036 8.567 -7.059 1.00 1.25 H new ATOM 1164 N LEU A 75 13.766 3.183 -6.490 1.00 0.33 N ATOM 1165 CA LEU A 75 12.327 3.108 -6.386 1.00 0.32 C ATOM 1166 C LEU A 75 11.790 4.271 -5.609 1.00 0.32 C ATOM 1167 O LEU A 75 12.092 4.444 -4.434 1.00 0.32 O ATOM 1168 CB LEU A 75 11.890 1.811 -5.737 1.00 0.31 C ATOM 1169 CG LEU A 75 12.341 0.561 -6.477 1.00 0.33 C ATOM 1170 CD1 LEU A 75 11.818 -0.679 -5.788 1.00 0.35 C ATOM 1171 CD2 LEU A 75 11.876 0.613 -7.924 1.00 0.35 C ATOM 0 H LEU A 75 14.266 3.103 -5.605 1.00 0.33 H new ATOM 0 HA LEU A 75 11.923 3.140 -7.398 1.00 0.32 H new ATOM 0 HB2 LEU A 75 12.279 1.778 -4.719 1.00 0.31 H new ATOM 0 HB3 LEU A 75 10.803 1.803 -5.663 1.00 0.31 H new ATOM 0 HG LEU A 75 13.430 0.520 -6.466 1.00 0.33 H new ATOM 0 HD11 LEU A 75 12.150 -1.564 -6.331 1.00 0.35 H new ATOM 0 HD12 LEU A 75 12.198 -0.716 -4.767 1.00 0.35 H new ATOM 0 HD13 LEU A 75 10.728 -0.653 -5.769 1.00 0.35 H new ATOM 0 HD21 LEU A 75 12.204 -0.287 -8.444 1.00 0.35 H new ATOM 0 HD22 LEU A 75 10.788 0.673 -7.955 1.00 0.35 H new ATOM 0 HD23 LEU A 75 12.302 1.490 -8.412 1.00 0.35 H new ATOM 1183 N ASP A 76 10.993 5.069 -6.274 1.00 0.35 N ATOM 1184 CA ASP A 76 10.383 6.206 -5.635 1.00 0.36 C ATOM 1185 C ASP A 76 9.161 5.761 -4.868 1.00 0.33 C ATOM 1186 O ASP A 76 8.899 4.567 -4.742 1.00 0.32 O ATOM 1187 CB ASP A 76 10.071 7.296 -6.667 1.00 0.44 C ATOM 1188 CG ASP A 76 8.662 7.282 -7.241 1.00 0.91 C ATOM 1189 OD1 ASP A 76 8.034 6.213 -7.308 1.00 1.45 O ATOM 1190 OD2 ASP A 76 8.184 8.366 -7.643 1.00 1.68 O ATOM 0 H ASP A 76 10.752 4.952 -7.258 1.00 0.35 H new ATOM 0 HA ASP A 76 11.077 6.646 -4.918 1.00 0.36 H new ATOM 0 HB2 ASP A 76 10.245 8.268 -6.205 1.00 0.44 H new ATOM 0 HB3 ASP A 76 10.779 7.203 -7.490 1.00 0.44 H new ATOM 1195 N PHE A 77 8.436 6.711 -4.342 1.00 0.41 N ATOM 1196 CA PHE A 77 7.308 6.417 -3.498 1.00 0.49 C ATOM 1197 C PHE A 77 6.267 5.552 -4.205 1.00 0.39 C ATOM 1198 O PHE A 77 5.812 4.554 -3.655 1.00 0.39 O ATOM 1199 CB PHE A 77 6.729 7.719 -2.976 1.00 0.72 C ATOM 1200 CG PHE A 77 6.451 8.777 -4.010 1.00 1.76 C ATOM 1201 CD1 PHE A 77 7.464 9.611 -4.457 1.00 2.66 C ATOM 1202 CD2 PHE A 77 5.176 8.959 -4.510 1.00 2.56 C ATOM 1203 CE1 PHE A 77 7.207 10.598 -5.384 1.00 3.77 C ATOM 1204 CE2 PHE A 77 4.913 9.943 -5.441 1.00 3.67 C ATOM 1205 CZ PHE A 77 5.931 10.766 -5.878 1.00 4.15 C ATOM 0 H PHE A 77 8.609 7.706 -4.485 1.00 0.41 H new ATOM 0 HA PHE A 77 7.644 5.821 -2.650 1.00 0.49 H new ATOM 0 HB2 PHE A 77 5.799 7.497 -2.453 1.00 0.72 H new ATOM 0 HB3 PHE A 77 7.418 8.131 -2.239 1.00 0.72 H new ATOM 0 HD1 PHE A 77 8.466 9.486 -4.074 1.00 2.66 H new ATOM 0 HD2 PHE A 77 4.374 8.322 -4.167 1.00 2.56 H new ATOM 0 HE1 PHE A 77 8.006 11.240 -5.724 1.00 3.77 H new ATOM 0 HE2 PHE A 77 3.912 10.069 -5.827 1.00 3.67 H new ATOM 0 HZ PHE A 77 5.729 11.539 -6.605 1.00 4.15 H new ATOM 1215 N SER A 78 5.924 5.910 -5.428 1.00 0.39 N ATOM 1216 CA SER A 78 4.999 5.119 -6.224 1.00 0.38 C ATOM 1217 C SER A 78 5.606 3.767 -6.587 1.00 0.38 C ATOM 1218 O SER A 78 4.912 2.750 -6.617 1.00 0.44 O ATOM 1219 CB SER A 78 4.621 5.882 -7.490 1.00 0.45 C ATOM 1220 OG SER A 78 5.554 6.913 -7.753 1.00 1.31 O ATOM 0 H SER A 78 6.273 6.747 -5.895 1.00 0.39 H new ATOM 0 HA SER A 78 4.103 4.939 -5.631 1.00 0.38 H new ATOM 0 HB2 SER A 78 4.583 5.196 -8.336 1.00 0.45 H new ATOM 0 HB3 SER A 78 3.624 6.308 -7.379 1.00 0.45 H new ATOM 0 HG SER A 78 6.428 6.519 -7.958 1.00 1.31 H new ATOM 1226 N GLU A 79 6.906 3.759 -6.833 1.00 0.36 N ATOM 1227 CA GLU A 79 7.605 2.544 -7.223 1.00 0.42 C ATOM 1228 C GLU A 79 7.644 1.558 -6.061 1.00 0.33 C ATOM 1229 O GLU A 79 7.395 0.362 -6.226 1.00 0.33 O ATOM 1230 CB GLU A 79 9.023 2.884 -7.682 1.00 0.51 C ATOM 1231 CG GLU A 79 9.150 3.193 -9.168 1.00 0.64 C ATOM 1232 CD GLU A 79 8.337 4.387 -9.634 1.00 1.81 C ATOM 1233 OE1 GLU A 79 7.088 4.291 -9.677 1.00 2.54 O ATOM 1234 OE2 GLU A 79 8.950 5.413 -9.999 1.00 2.57 O ATOM 0 H GLU A 79 7.502 4.585 -6.769 1.00 0.36 H new ATOM 0 HA GLU A 79 7.069 2.079 -8.050 1.00 0.42 H new ATOM 0 HB2 GLU A 79 9.379 3.743 -7.114 1.00 0.51 H new ATOM 0 HB3 GLU A 79 9.680 2.048 -7.440 1.00 0.51 H new ATOM 0 HG2 GLU A 79 10.200 3.371 -9.401 1.00 0.64 H new ATOM 0 HG3 GLU A 79 8.842 2.315 -9.736 1.00 0.64 H new ATOM 1241 N PHE A 80 7.942 2.084 -4.886 1.00 0.28 N ATOM 1242 CA PHE A 80 7.948 1.307 -3.655 1.00 0.25 C ATOM 1243 C PHE A 80 6.557 0.771 -3.351 1.00 0.23 C ATOM 1244 O PHE A 80 6.396 -0.339 -2.853 1.00 0.26 O ATOM 1245 CB PHE A 80 8.423 2.191 -2.505 1.00 0.31 C ATOM 1246 CG PHE A 80 8.288 1.559 -1.154 1.00 0.71 C ATOM 1247 CD1 PHE A 80 9.088 0.493 -0.792 1.00 1.26 C ATOM 1248 CD2 PHE A 80 7.356 2.038 -0.247 1.00 1.60 C ATOM 1249 CE1 PHE A 80 8.962 -0.088 0.450 1.00 1.56 C ATOM 1250 CE2 PHE A 80 7.227 1.461 0.998 1.00 1.98 C ATOM 1251 CZ PHE A 80 8.031 0.396 1.346 1.00 1.64 C ATOM 0 H PHE A 80 8.188 3.065 -4.756 1.00 0.28 H new ATOM 0 HA PHE A 80 8.624 0.460 -3.775 1.00 0.25 H new ATOM 0 HB2 PHE A 80 9.468 2.453 -2.669 1.00 0.31 H new ATOM 0 HB3 PHE A 80 7.856 3.122 -2.518 1.00 0.31 H new ATOM 0 HD1 PHE A 80 9.819 0.112 -1.489 1.00 1.26 H new ATOM 0 HD2 PHE A 80 6.725 2.871 -0.518 1.00 1.60 H new ATOM 0 HE1 PHE A 80 9.592 -0.922 0.723 1.00 1.56 H new ATOM 0 HE2 PHE A 80 6.499 1.842 1.699 1.00 1.98 H new ATOM 0 HZ PHE A 80 7.932 -0.059 2.320 1.00 1.64 H new ATOM 1261 N LEU A 81 5.552 1.566 -3.659 1.00 0.25 N ATOM 1262 CA LEU A 81 4.180 1.186 -3.385 1.00 0.26 C ATOM 1263 C LEU A 81 3.666 0.190 -4.403 1.00 0.26 C ATOM 1264 O LEU A 81 2.734 -0.557 -4.127 1.00 0.27 O ATOM 1265 CB LEU A 81 3.296 2.413 -3.352 1.00 0.29 C ATOM 1266 CG LEU A 81 3.591 3.361 -2.192 1.00 0.28 C ATOM 1267 CD1 LEU A 81 2.753 4.609 -2.321 1.00 0.34 C ATOM 1268 CD2 LEU A 81 3.359 2.675 -0.842 1.00 0.29 C ATOM 0 H LEU A 81 5.659 2.480 -4.099 1.00 0.25 H new ATOM 0 HA LEU A 81 4.154 0.703 -2.408 1.00 0.26 H new ATOM 0 HB2 LEU A 81 3.411 2.956 -4.290 1.00 0.29 H new ATOM 0 HB3 LEU A 81 2.255 2.096 -3.293 1.00 0.29 H new ATOM 0 HG LEU A 81 4.643 3.643 -2.234 1.00 0.28 H new ATOM 0 HD11 LEU A 81 2.969 5.280 -1.490 1.00 0.34 H new ATOM 0 HD12 LEU A 81 2.987 5.109 -3.261 1.00 0.34 H new ATOM 0 HD13 LEU A 81 1.697 4.341 -2.306 1.00 0.34 H new ATOM 0 HD21 LEU A 81 3.577 3.375 -0.036 1.00 0.29 H new ATOM 0 HD22 LEU A 81 2.320 2.353 -0.771 1.00 0.29 H new ATOM 0 HD23 LEU A 81 4.014 1.808 -0.757 1.00 0.29 H new ATOM 1280 N ASN A 82 4.272 0.176 -5.578 1.00 0.26 N ATOM 1281 CA ASN A 82 3.972 -0.852 -6.556 1.00 0.26 C ATOM 1282 C ASN A 82 4.466 -2.187 -6.030 1.00 0.23 C ATOM 1283 O ASN A 82 3.866 -3.238 -6.265 1.00 0.25 O ATOM 1284 CB ASN A 82 4.627 -0.538 -7.900 1.00 0.30 C ATOM 1285 CG ASN A 82 3.707 0.220 -8.839 1.00 0.79 C ATOM 1286 OD1 ASN A 82 2.974 -0.380 -9.624 1.00 1.51 O ATOM 1287 ND2 ASN A 82 3.734 1.539 -8.765 1.00 1.42 N ATOM 0 H ASN A 82 4.969 0.859 -5.875 1.00 0.26 H new ATOM 0 HA ASN A 82 2.894 -0.891 -6.714 1.00 0.26 H new ATOM 0 HB2 ASN A 82 5.530 0.049 -7.731 1.00 0.30 H new ATOM 0 HB3 ASN A 82 4.936 -1.469 -8.375 1.00 0.30 H new ATOM 0 HD21 ASN A 82 3.133 2.096 -9.372 1.00 1.42 H new ATOM 0 HD22 ASN A 82 4.356 2.000 -8.101 1.00 1.42 H new ATOM 1294 N LEU A 83 5.575 -2.120 -5.310 1.00 0.23 N ATOM 1295 CA LEU A 83 6.093 -3.255 -4.573 1.00 0.24 C ATOM 1296 C LEU A 83 5.125 -3.666 -3.480 1.00 0.23 C ATOM 1297 O LEU A 83 4.699 -4.818 -3.409 1.00 0.25 O ATOM 1298 CB LEU A 83 7.418 -2.886 -3.930 1.00 0.27 C ATOM 1299 CG LEU A 83 7.777 -3.734 -2.723 1.00 0.31 C ATOM 1300 CD1 LEU A 83 8.163 -5.139 -3.158 1.00 0.35 C ATOM 1301 CD2 LEU A 83 8.876 -3.074 -1.916 1.00 0.36 C ATOM 0 H LEU A 83 6.140 -1.275 -5.222 1.00 0.23 H new ATOM 0 HA LEU A 83 6.228 -4.083 -5.269 1.00 0.24 H new ATOM 0 HB2 LEU A 83 8.209 -2.978 -4.674 1.00 0.27 H new ATOM 0 HB3 LEU A 83 7.385 -1.839 -3.628 1.00 0.27 H new ATOM 0 HG LEU A 83 6.903 -3.817 -2.078 1.00 0.31 H new ATOM 0 HD11 LEU A 83 8.418 -5.734 -2.281 1.00 0.35 H new ATOM 0 HD12 LEU A 83 7.325 -5.601 -3.680 1.00 0.35 H new ATOM 0 HD13 LEU A 83 9.023 -5.090 -3.825 1.00 0.35 H new ATOM 0 HD21 LEU A 83 9.119 -3.697 -1.055 1.00 0.36 H new ATOM 0 HD22 LEU A 83 9.762 -2.953 -2.539 1.00 0.36 H new ATOM 0 HD23 LEU A 83 8.538 -2.096 -1.572 1.00 0.36 H new ATOM 1313 N ILE A 84 4.807 -2.704 -2.619 1.00 0.24 N ATOM 1314 CA ILE A 84 3.880 -2.914 -1.519 1.00 0.26 C ATOM 1315 C ILE A 84 2.580 -3.519 -2.032 1.00 0.27 C ATOM 1316 O ILE A 84 1.967 -4.361 -1.374 1.00 0.29 O ATOM 1317 CB ILE A 84 3.605 -1.586 -0.781 1.00 0.29 C ATOM 1318 CG1 ILE A 84 4.886 -1.071 -0.118 1.00 0.55 C ATOM 1319 CG2 ILE A 84 2.490 -1.740 0.248 1.00 0.47 C ATOM 1320 CD1 ILE A 84 5.550 -2.074 0.796 1.00 0.62 C ATOM 0 H ILE A 84 5.186 -1.758 -2.667 1.00 0.24 H new ATOM 0 HA ILE A 84 4.332 -3.611 -0.813 1.00 0.26 H new ATOM 0 HB ILE A 84 3.273 -0.855 -1.518 1.00 0.29 H new ATOM 0 HG12 ILE A 84 5.593 -0.779 -0.895 1.00 0.55 H new ATOM 0 HG13 ILE A 84 4.651 -0.173 0.454 1.00 0.55 H new ATOM 0 HG21 ILE A 84 2.323 -0.786 0.749 1.00 0.47 H new ATOM 0 HG22 ILE A 84 1.574 -2.053 -0.253 1.00 0.47 H new ATOM 0 HG23 ILE A 84 2.776 -2.491 0.984 1.00 0.47 H new ATOM 0 HD11 ILE A 84 6.450 -1.634 1.226 1.00 0.62 H new ATOM 0 HD12 ILE A 84 4.862 -2.349 1.596 1.00 0.62 H new ATOM 0 HD13 ILE A 84 5.818 -2.964 0.226 1.00 0.62 H new ATOM 1332 N GLY A 85 2.197 -3.107 -3.233 1.00 0.26 N ATOM 1333 CA GLY A 85 1.061 -3.684 -3.893 1.00 0.29 C ATOM 1334 C GLY A 85 1.261 -5.157 -4.148 1.00 0.29 C ATOM 1335 O GLY A 85 0.467 -5.964 -3.699 1.00 0.33 O ATOM 0 H GLY A 85 2.666 -2.372 -3.762 1.00 0.26 H new ATOM 0 HA2 GLY A 85 0.170 -3.537 -3.282 1.00 0.29 H new ATOM 0 HA3 GLY A 85 0.888 -3.170 -4.838 1.00 0.29 H new ATOM 1339 N GLY A 86 2.372 -5.516 -4.791 1.00 0.28 N ATOM 1340 CA GLY A 86 2.577 -6.898 -5.195 1.00 0.31 C ATOM 1341 C GLY A 86 2.740 -7.802 -3.997 1.00 0.29 C ATOM 1342 O GLY A 86 2.393 -8.985 -4.030 1.00 0.35 O ATOM 0 H GLY A 86 3.129 -4.879 -5.038 1.00 0.28 H new ATOM 0 HA2 GLY A 86 1.730 -7.233 -5.794 1.00 0.31 H new ATOM 0 HA3 GLY A 86 3.462 -6.967 -5.828 1.00 0.31 H new ATOM 1346 N LEU A 87 3.264 -7.221 -2.936 1.00 0.25 N ATOM 1347 CA LEU A 87 3.399 -7.898 -1.663 1.00 0.25 C ATOM 1348 C LEU A 87 2.029 -8.182 -1.075 1.00 0.26 C ATOM 1349 O LEU A 87 1.653 -9.336 -0.860 1.00 0.29 O ATOM 1350 CB LEU A 87 4.177 -7.011 -0.702 1.00 0.25 C ATOM 1351 CG LEU A 87 5.682 -6.929 -0.929 1.00 0.26 C ATOM 1352 CD1 LEU A 87 6.259 -5.788 -0.115 1.00 0.26 C ATOM 1353 CD2 LEU A 87 6.355 -8.239 -0.547 1.00 0.35 C ATOM 0 H LEU A 87 3.610 -6.261 -2.933 1.00 0.25 H new ATOM 0 HA LEU A 87 3.927 -8.839 -1.816 1.00 0.25 H new ATOM 0 HB2 LEU A 87 3.767 -6.003 -0.758 1.00 0.25 H new ATOM 0 HB3 LEU A 87 4.003 -7.370 0.312 1.00 0.25 H new ATOM 0 HG LEU A 87 5.868 -6.746 -1.987 1.00 0.26 H new ATOM 0 HD11 LEU A 87 7.335 -5.732 -0.279 1.00 0.26 H new ATOM 0 HD12 LEU A 87 5.795 -4.851 -0.423 1.00 0.26 H new ATOM 0 HD13 LEU A 87 6.062 -5.960 0.943 1.00 0.26 H new ATOM 0 HD21 LEU A 87 7.429 -8.159 -0.717 1.00 0.35 H new ATOM 0 HD22 LEU A 87 6.169 -8.450 0.506 1.00 0.35 H new ATOM 0 HD23 LEU A 87 5.950 -9.047 -1.156 1.00 0.35 H new ATOM 1365 N ALA A 88 1.281 -7.107 -0.839 1.00 0.25 N ATOM 1366 CA ALA A 88 -0.044 -7.195 -0.247 1.00 0.27 C ATOM 1367 C ALA A 88 -0.940 -8.094 -1.058 1.00 0.30 C ATOM 1368 O ALA A 88 -1.736 -8.854 -0.521 1.00 0.35 O ATOM 1369 CB ALA A 88 -0.684 -5.832 -0.189 1.00 0.27 C ATOM 0 H ALA A 88 1.578 -6.155 -1.053 1.00 0.25 H new ATOM 0 HA ALA A 88 0.076 -7.602 0.757 1.00 0.27 H new ATOM 0 HB1 ALA A 88 -1.675 -5.914 0.257 1.00 0.27 H new ATOM 0 HB2 ALA A 88 -0.068 -5.166 0.416 1.00 0.27 H new ATOM 0 HB3 ALA A 88 -0.772 -5.428 -1.198 1.00 0.27 H new ATOM 1375 N MET A 89 -0.809 -7.968 -2.360 1.00 0.29 N ATOM 1376 CA MET A 89 -1.597 -8.728 -3.298 1.00 0.33 C ATOM 1377 C MET A 89 -1.391 -10.212 -3.090 1.00 0.34 C ATOM 1378 O MET A 89 -2.348 -10.978 -3.046 1.00 0.39 O ATOM 1379 CB MET A 89 -1.217 -8.335 -4.717 1.00 0.35 C ATOM 1380 CG MET A 89 -1.736 -6.969 -5.114 1.00 0.42 C ATOM 1381 SD MET A 89 -1.292 -6.524 -6.806 1.00 1.03 S ATOM 1382 CE MET A 89 -1.858 -7.964 -7.711 1.00 1.89 C ATOM 0 H MET A 89 -0.146 -7.329 -2.799 1.00 0.29 H new ATOM 0 HA MET A 89 -2.652 -8.507 -3.134 1.00 0.33 H new ATOM 0 HB2 MET A 89 -0.131 -8.346 -4.812 1.00 0.35 H new ATOM 0 HB3 MET A 89 -1.606 -9.081 -5.411 1.00 0.35 H new ATOM 0 HG2 MET A 89 -2.821 -6.952 -5.010 1.00 0.42 H new ATOM 0 HG3 MET A 89 -1.339 -6.220 -4.429 1.00 0.42 H new ATOM 0 HE1 MET A 89 -1.882 -7.738 -8.777 1.00 1.89 H new ATOM 0 HE2 MET A 89 -1.178 -8.797 -7.532 1.00 1.89 H new ATOM 0 HE3 MET A 89 -2.859 -8.235 -7.375 1.00 1.89 H new ATOM 1392 N ALA A 90 -0.138 -10.601 -2.920 1.00 0.34 N ATOM 1393 CA ALA A 90 0.206 -11.995 -2.725 1.00 0.40 C ATOM 1394 C ALA A 90 -0.268 -12.470 -1.359 1.00 0.42 C ATOM 1395 O ALA A 90 -0.689 -13.612 -1.197 1.00 0.49 O ATOM 1396 CB ALA A 90 1.703 -12.178 -2.868 1.00 0.46 C ATOM 0 H ALA A 90 0.660 -9.965 -2.914 1.00 0.34 H new ATOM 0 HA ALA A 90 -0.293 -12.596 -3.485 1.00 0.40 H new ATOM 0 HB1 ALA A 90 1.957 -13.228 -2.721 1.00 0.46 H new ATOM 0 HB2 ALA A 90 2.014 -11.866 -3.865 1.00 0.46 H new ATOM 0 HB3 ALA A 90 2.217 -11.572 -2.121 1.00 0.46 H new ATOM 1402 N CYS A 91 -0.217 -11.572 -0.387 1.00 0.41 N ATOM 1403 CA CYS A 91 -0.622 -11.885 0.975 1.00 0.47 C ATOM 1404 C CYS A 91 -2.143 -12.019 1.084 1.00 0.45 C ATOM 1405 O CYS A 91 -2.646 -12.934 1.734 1.00 0.51 O ATOM 1406 CB CYS A 91 -0.095 -10.812 1.927 1.00 0.55 C ATOM 1407 SG CYS A 91 1.700 -10.609 1.873 1.00 1.76 S ATOM 0 H CYS A 91 0.104 -10.613 -0.518 1.00 0.41 H new ATOM 0 HA CYS A 91 -0.193 -12.847 1.255 1.00 0.47 H new ATOM 0 HB2 CYS A 91 -0.567 -9.860 1.684 1.00 0.55 H new ATOM 0 HB3 CYS A 91 -0.393 -11.064 2.945 1.00 0.55 H new ATOM 0 HG CYS A 91 2.038 -10.033 0.758 1.00 1.76 H new ATOM 1413 N HIS A 92 -2.875 -11.116 0.437 1.00 0.41 N ATOM 1414 CA HIS A 92 -4.331 -11.198 0.409 1.00 0.46 C ATOM 1415 C HIS A 92 -4.746 -12.402 -0.413 1.00 0.45 C ATOM 1416 O HIS A 92 -5.695 -13.096 -0.072 1.00 0.49 O ATOM 1417 CB HIS A 92 -4.961 -9.922 -0.173 1.00 0.54 C ATOM 1418 CG HIS A 92 -6.467 -9.897 -0.103 1.00 1.21 C ATOM 1419 ND1 HIS A 92 -7.165 -9.599 1.050 1.00 2.13 N ATOM 1420 CD2 HIS A 92 -7.409 -10.140 -1.052 1.00 1.96 C ATOM 1421 CE1 HIS A 92 -8.464 -9.660 0.811 1.00 2.74 C ATOM 1422 NE2 HIS A 92 -8.638 -9.984 -0.455 1.00 2.62 N ATOM 0 H HIS A 92 -2.485 -10.323 -0.072 1.00 0.41 H new ATOM 0 HA HIS A 92 -4.689 -11.302 1.433 1.00 0.46 H new ATOM 0 HB2 HIS A 92 -4.568 -9.058 0.362 1.00 0.54 H new ATOM 0 HB3 HIS A 92 -4.654 -9.819 -1.214 1.00 0.54 H new ATOM 0 HD2 HIS A 92 -7.226 -10.406 -2.083 1.00 1.96 H new ATOM 0 HE1 HIS A 92 -9.248 -9.476 1.530 1.00 2.74 H new ATOM 0 HE2 HIS A 92 -9.540 -10.100 -0.918 1.00 2.62 H new ATOM 1431 N ASP A 93 -4.020 -12.640 -1.496 1.00 0.45 N ATOM 1432 CA ASP A 93 -4.249 -13.808 -2.328 1.00 0.52 C ATOM 1433 C ASP A 93 -4.066 -15.073 -1.500 1.00 0.56 C ATOM 1434 O ASP A 93 -4.901 -15.966 -1.531 1.00 0.65 O ATOM 1435 CB ASP A 93 -3.290 -13.810 -3.522 1.00 0.54 C ATOM 1436 CG ASP A 93 -3.491 -15.005 -4.434 1.00 0.93 C ATOM 1437 OD1 ASP A 93 -4.361 -14.939 -5.325 1.00 1.75 O ATOM 1438 OD2 ASP A 93 -2.769 -16.015 -4.270 1.00 1.48 O ATOM 0 H ASP A 93 -3.264 -12.035 -1.818 1.00 0.45 H new ATOM 0 HA ASP A 93 -5.270 -13.777 -2.709 1.00 0.52 H new ATOM 0 HB2 ASP A 93 -3.429 -12.893 -4.095 1.00 0.54 H new ATOM 0 HB3 ASP A 93 -2.263 -13.805 -3.157 1.00 0.54 H new ATOM 1443 N SER A 94 -2.988 -15.113 -0.725 1.00 0.54 N ATOM 1444 CA SER A 94 -2.712 -16.231 0.166 1.00 0.60 C ATOM 1445 C SER A 94 -3.824 -16.391 1.186 1.00 0.63 C ATOM 1446 O SER A 94 -4.258 -17.495 1.466 1.00 0.70 O ATOM 1447 CB SER A 94 -1.393 -16.017 0.897 1.00 0.65 C ATOM 1448 OG SER A 94 -0.307 -15.942 -0.012 1.00 1.27 O ATOM 0 H SER A 94 -2.285 -14.375 -0.697 1.00 0.54 H new ATOM 0 HA SER A 94 -2.649 -17.134 -0.441 1.00 0.60 H new ATOM 0 HB2 SER A 94 -1.444 -15.099 1.483 1.00 0.65 H new ATOM 0 HB3 SER A 94 -1.227 -16.834 1.599 1.00 0.65 H new ATOM 0 HG SER A 94 -0.234 -15.029 -0.359 1.00 1.27 H new ATOM 1454 N PHE A 95 -4.275 -15.273 1.731 1.00 0.60 N ATOM 1455 CA PHE A 95 -5.358 -15.262 2.698 1.00 0.66 C ATOM 1456 C PHE A 95 -6.608 -15.888 2.088 1.00 0.72 C ATOM 1457 O PHE A 95 -7.339 -16.615 2.751 1.00 0.84 O ATOM 1458 CB PHE A 95 -5.630 -13.820 3.133 1.00 0.64 C ATOM 1459 CG PHE A 95 -6.610 -13.689 4.261 1.00 0.78 C ATOM 1460 CD1 PHE A 95 -6.305 -14.178 5.520 1.00 1.30 C ATOM 1461 CD2 PHE A 95 -7.829 -13.063 4.065 1.00 1.80 C ATOM 1462 CE1 PHE A 95 -7.200 -14.045 6.563 1.00 1.76 C ATOM 1463 CE2 PHE A 95 -8.729 -12.929 5.105 1.00 2.35 C ATOM 1464 CZ PHE A 95 -8.413 -13.421 6.354 1.00 2.08 C ATOM 0 H PHE A 95 -3.901 -14.349 1.515 1.00 0.60 H new ATOM 0 HA PHE A 95 -5.077 -15.848 3.573 1.00 0.66 H new ATOM 0 HB2 PHE A 95 -4.688 -13.359 3.430 1.00 0.64 H new ATOM 0 HB3 PHE A 95 -6.003 -13.259 2.276 1.00 0.64 H new ATOM 0 HD1 PHE A 95 -5.358 -14.668 5.688 1.00 1.30 H new ATOM 0 HD2 PHE A 95 -8.079 -12.675 3.089 1.00 1.80 H new ATOM 0 HE1 PHE A 95 -6.951 -14.429 7.541 1.00 1.76 H new ATOM 0 HE2 PHE A 95 -9.678 -12.440 4.940 1.00 2.35 H new ATOM 0 HZ PHE A 95 -9.115 -13.318 7.168 1.00 2.08 H new ATOM 1737 N PRO B 7 6.343 -9.654 11.246 1.00 0.70 N ATOM 1738 CA PRO B 7 6.154 -8.624 10.223 1.00 0.54 C ATOM 1739 C PRO B 7 6.776 -7.297 10.631 1.00 0.45 C ATOM 1740 O PRO B 7 6.934 -7.006 11.818 1.00 0.57 O ATOM 1741 CB PRO B 7 4.638 -8.495 10.170 1.00 0.62 C ATOM 1742 CG PRO B 7 4.240 -8.705 11.581 1.00 0.75 C ATOM 1743 CD PRO B 7 5.130 -9.817 12.074 1.00 0.82 C ATOM 0 HA PRO B 7 6.621 -8.882 9.273 1.00 0.54 H new ATOM 0 HB2 PRO B 7 4.328 -7.516 9.804 1.00 0.62 H new ATOM 0 HB3 PRO B 7 4.192 -9.238 9.509 1.00 0.62 H new ATOM 0 HG2 PRO B 7 4.378 -7.798 12.170 1.00 0.75 H new ATOM 0 HG3 PRO B 7 3.188 -8.978 11.658 1.00 0.75 H new ATOM 0 HD2 PRO B 7 5.349 -9.719 13.137 1.00 0.82 H new ATOM 0 HD3 PRO B 7 4.671 -10.796 11.932 1.00 0.82 H new ATOM 1751 N THR B 8 7.138 -6.507 9.648 1.00 0.34 N ATOM 1752 CA THR B 8 7.662 -5.180 9.892 1.00 0.27 C ATOM 1753 C THR B 8 6.556 -4.151 9.738 1.00 0.28 C ATOM 1754 O THR B 8 5.392 -4.517 9.561 1.00 0.34 O ATOM 1755 CB THR B 8 8.782 -4.870 8.903 1.00 0.29 C ATOM 1756 OG1 THR B 8 8.228 -4.729 7.593 1.00 0.37 O ATOM 1757 CG2 THR B 8 9.806 -5.986 8.925 1.00 0.33 C ATOM 0 H THR B 8 7.079 -6.762 8.662 1.00 0.34 H new ATOM 0 HA THR B 8 8.056 -5.140 10.907 1.00 0.27 H new ATOM 0 HB THR B 8 9.275 -3.939 9.184 1.00 0.29 H new ATOM 0 HG1 THR B 8 8.846 -5.109 6.934 1.00 0.37 H new ATOM 0 HG21 THR B 8 10.604 -5.761 8.218 1.00 0.33 H new ATOM 0 HG22 THR B 8 10.224 -6.076 9.927 1.00 0.33 H new ATOM 0 HG23 THR B 8 9.327 -6.925 8.646 1.00 0.33 H new ATOM 1765 N GLU B 9 6.918 -2.876 9.786 1.00 0.28 N ATOM 1766 CA GLU B 9 5.949 -1.798 9.638 1.00 0.33 C ATOM 1767 C GLU B 9 5.166 -1.958 8.338 1.00 0.36 C ATOM 1768 O GLU B 9 3.944 -1.949 8.346 1.00 0.52 O ATOM 1769 CB GLU B 9 6.651 -0.438 9.658 1.00 0.40 C ATOM 1770 CG GLU B 9 5.694 0.737 9.778 1.00 0.56 C ATOM 1771 CD GLU B 9 5.120 0.867 11.171 1.00 1.73 C ATOM 1772 OE1 GLU B 9 5.884 1.179 12.109 1.00 2.48 O ATOM 1773 OE2 GLU B 9 3.907 0.658 11.338 1.00 2.47 O ATOM 0 H GLU B 9 7.878 -2.562 9.927 1.00 0.28 H new ATOM 0 HA GLU B 9 5.254 -1.848 10.477 1.00 0.33 H new ATOM 0 HB2 GLU B 9 7.352 -0.412 10.492 1.00 0.40 H new ATOM 0 HB3 GLU B 9 7.237 -0.327 8.746 1.00 0.40 H new ATOM 0 HG2 GLU B 9 6.216 1.657 9.515 1.00 0.56 H new ATOM 0 HG3 GLU B 9 4.881 0.616 9.062 1.00 0.56 H new ATOM 1780 N THR B 10 5.875 -2.155 7.233 1.00 0.26 N ATOM 1781 CA THR B 10 5.244 -2.283 5.926 1.00 0.27 C ATOM 1782 C THR B 10 4.432 -3.561 5.840 1.00 0.27 C ATOM 1783 O THR B 10 3.320 -3.552 5.331 1.00 0.31 O ATOM 1784 CB THR B 10 6.274 -2.227 4.763 1.00 0.27 C ATOM 1785 OG1 THR B 10 5.838 -3.039 3.671 1.00 0.40 O ATOM 1786 CG2 THR B 10 7.657 -2.675 5.209 1.00 0.26 C ATOM 0 H THR B 10 6.892 -2.230 7.217 1.00 0.26 H new ATOM 0 HA THR B 10 4.577 -1.428 5.816 1.00 0.27 H new ATOM 0 HB THR B 10 6.341 -1.187 4.442 1.00 0.27 H new ATOM 0 HG1 THR B 10 6.603 -3.254 3.097 1.00 0.40 H new ATOM 0 HG21 THR B 10 8.346 -2.621 4.366 1.00 0.26 H new ATOM 0 HG22 THR B 10 8.010 -2.024 6.009 1.00 0.26 H new ATOM 0 HG23 THR B 10 7.607 -3.702 5.572 1.00 0.26 H new ATOM 1794 N GLU B 11 4.961 -4.642 6.384 1.00 0.24 N ATOM 1795 CA GLU B 11 4.304 -5.933 6.271 1.00 0.27 C ATOM 1796 C GLU B 11 3.008 -5.959 7.051 1.00 0.30 C ATOM 1797 O GLU B 11 1.987 -6.432 6.558 1.00 0.32 O ATOM 1798 CB GLU B 11 5.230 -7.033 6.746 1.00 0.29 C ATOM 1799 CG GLU B 11 6.579 -6.950 6.084 1.00 0.41 C ATOM 1800 CD GLU B 11 7.441 -8.164 6.341 1.00 1.11 C ATOM 1801 OE1 GLU B 11 7.786 -8.406 7.514 1.00 1.71 O ATOM 1802 OE2 GLU B 11 7.775 -8.875 5.373 1.00 1.85 O ATOM 0 H GLU B 11 5.838 -4.653 6.905 1.00 0.24 H new ATOM 0 HA GLU B 11 4.064 -6.101 5.221 1.00 0.27 H new ATOM 0 HB2 GLU B 11 5.351 -6.966 7.827 1.00 0.29 H new ATOM 0 HB3 GLU B 11 4.780 -8.003 6.535 1.00 0.29 H new ATOM 0 HG2 GLU B 11 6.443 -6.829 5.009 1.00 0.41 H new ATOM 0 HG3 GLU B 11 7.098 -6.061 6.441 1.00 0.41 H new ATOM 1809 N ARG B 12 3.041 -5.429 8.260 1.00 0.35 N ATOM 1810 CA ARG B 12 1.842 -5.364 9.076 1.00 0.42 C ATOM 1811 C ARG B 12 0.861 -4.386 8.456 1.00 0.43 C ATOM 1812 O ARG B 12 -0.349 -4.578 8.513 1.00 0.47 O ATOM 1813 CB ARG B 12 2.169 -4.991 10.535 1.00 0.48 C ATOM 1814 CG ARG B 12 2.794 -3.613 10.750 1.00 0.49 C ATOM 1815 CD ARG B 12 1.776 -2.491 10.621 1.00 0.56 C ATOM 1816 NE ARG B 12 2.140 -1.332 11.432 1.00 1.08 N ATOM 1817 CZ ARG B 12 1.647 -1.077 12.644 1.00 1.34 C ATOM 1818 NH1 ARG B 12 0.768 -1.900 13.204 1.00 1.86 N ATOM 1819 NH2 ARG B 12 2.050 0.000 13.298 1.00 1.95 N ATOM 0 H ARG B 12 3.877 -5.040 8.696 1.00 0.35 H new ATOM 0 HA ARG B 12 1.382 -6.352 9.104 1.00 0.42 H new ATOM 0 HB2 ARG B 12 1.250 -5.046 11.118 1.00 0.48 H new ATOM 0 HB3 ARG B 12 2.848 -5.743 10.938 1.00 0.48 H new ATOM 0 HG2 ARG B 12 3.251 -3.574 11.739 1.00 0.49 H new ATOM 0 HG3 ARG B 12 3.592 -3.461 10.024 1.00 0.49 H new ATOM 0 HD2 ARG B 12 1.695 -2.192 9.576 1.00 0.56 H new ATOM 0 HD3 ARG B 12 0.794 -2.854 10.926 1.00 0.56 H new ATOM 0 HE ARG B 12 2.817 -0.674 11.045 1.00 1.08 H new ATOM 0 HH11 ARG B 12 0.464 -2.737 12.706 1.00 1.86 H new ATOM 0 HH12 ARG B 12 0.397 -1.695 14.132 1.00 1.86 H new ATOM 0 HH21 ARG B 12 2.733 0.628 12.874 1.00 1.95 H new ATOM 0 HH22 ARG B 12 1.678 0.202 14.226 1.00 1.95 H new ATOM 1833 N CYS B 13 1.409 -3.349 7.840 1.00 0.42 N ATOM 1834 CA CYS B 13 0.615 -2.324 7.188 1.00 0.44 C ATOM 1835 C CYS B 13 -0.056 -2.907 5.964 1.00 0.30 C ATOM 1836 O CYS B 13 -1.214 -2.612 5.665 1.00 0.29 O ATOM 1837 CB CYS B 13 1.521 -1.150 6.824 1.00 0.57 C ATOM 1838 SG CYS B 13 1.851 -0.040 8.207 1.00 2.16 S ATOM 0 H CYS B 13 2.416 -3.197 7.779 1.00 0.42 H new ATOM 0 HA CYS B 13 -0.165 -1.963 7.858 1.00 0.44 H new ATOM 0 HB2 CYS B 13 2.467 -1.536 6.444 1.00 0.57 H new ATOM 0 HB3 CYS B 13 1.060 -0.583 6.015 1.00 0.57 H new ATOM 0 HG CYS B 13 2.917 -0.436 8.837 1.00 2.16 H new ATOM 1844 N ILE B 14 0.682 -3.762 5.287 1.00 0.26 N ATOM 1845 CA ILE B 14 0.170 -4.530 4.179 1.00 0.24 C ATOM 1846 C ILE B 14 -1.033 -5.369 4.607 1.00 0.21 C ATOM 1847 O ILE B 14 -2.056 -5.413 3.920 1.00 0.23 O ATOM 1848 CB ILE B 14 1.282 -5.443 3.627 1.00 0.24 C ATOM 1849 CG1 ILE B 14 2.204 -4.666 2.687 1.00 0.25 C ATOM 1850 CG2 ILE B 14 0.708 -6.667 2.934 1.00 0.27 C ATOM 1851 CD1 ILE B 14 3.421 -5.457 2.287 1.00 0.27 C ATOM 0 H ILE B 14 1.664 -3.943 5.495 1.00 0.26 H new ATOM 0 HA ILE B 14 -0.157 -3.842 3.399 1.00 0.24 H new ATOM 0 HB ILE B 14 1.872 -5.794 4.474 1.00 0.24 H new ATOM 0 HG12 ILE B 14 1.649 -4.382 1.793 1.00 0.25 H new ATOM 0 HG13 ILE B 14 2.519 -3.743 3.174 1.00 0.25 H new ATOM 0 HG21 ILE B 14 1.522 -7.287 2.558 1.00 0.27 H new ATOM 0 HG22 ILE B 14 0.112 -7.241 3.644 1.00 0.27 H new ATOM 0 HG23 ILE B 14 0.077 -6.352 2.103 1.00 0.27 H new ATOM 0 HD11 ILE B 14 4.041 -4.858 1.620 1.00 0.27 H new ATOM 0 HD12 ILE B 14 3.994 -5.719 3.177 1.00 0.27 H new ATOM 0 HD13 ILE B 14 3.111 -6.368 1.774 1.00 0.27 H new ATOM 1863 N GLU B 15 -0.914 -6.002 5.767 1.00 0.24 N ATOM 1864 CA GLU B 15 -1.953 -6.879 6.271 1.00 0.28 C ATOM 1865 C GLU B 15 -3.112 -6.060 6.762 1.00 0.30 C ATOM 1866 O GLU B 15 -4.243 -6.528 6.828 1.00 0.34 O ATOM 1867 CB GLU B 15 -1.436 -7.716 7.420 1.00 0.32 C ATOM 1868 CG GLU B 15 -0.194 -8.520 7.076 1.00 0.32 C ATOM 1869 CD GLU B 15 0.253 -9.410 8.214 1.00 0.38 C ATOM 1870 OE1 GLU B 15 0.313 -8.935 9.366 1.00 1.25 O ATOM 1871 OE2 GLU B 15 0.547 -10.596 7.964 1.00 1.06 O ATOM 0 H GLU B 15 -0.101 -5.921 6.377 1.00 0.24 H new ATOM 0 HA GLU B 15 -2.268 -7.535 5.459 1.00 0.28 H new ATOM 0 HB2 GLU B 15 -1.213 -7.062 8.263 1.00 0.32 H new ATOM 0 HB3 GLU B 15 -2.222 -8.398 7.744 1.00 0.32 H new ATOM 0 HG2 GLU B 15 -0.394 -9.133 6.197 1.00 0.32 H new ATOM 0 HG3 GLU B 15 0.615 -7.838 6.813 1.00 0.32 H new ATOM 1878 N SER B 16 -2.813 -4.835 7.121 1.00 0.31 N ATOM 1879 CA SER B 16 -3.822 -3.941 7.602 1.00 0.37 C ATOM 1880 C SER B 16 -4.670 -3.450 6.439 1.00 0.28 C ATOM 1881 O SER B 16 -5.876 -3.288 6.574 1.00 0.28 O ATOM 1882 CB SER B 16 -3.185 -2.789 8.358 1.00 0.54 C ATOM 1883 OG SER B 16 -2.386 -3.269 9.426 1.00 0.97 O ATOM 0 H SER B 16 -1.874 -4.439 7.087 1.00 0.31 H new ATOM 0 HA SER B 16 -4.476 -4.468 8.297 1.00 0.37 H new ATOM 0 HB2 SER B 16 -2.573 -2.196 7.678 1.00 0.54 H new ATOM 0 HB3 SER B 16 -3.961 -2.129 8.746 1.00 0.54 H new ATOM 0 HG SER B 16 -1.473 -3.428 9.106 1.00 0.97 H new ATOM 1889 N LEU B 17 -4.037 -3.242 5.288 1.00 0.27 N ATOM 1890 CA LEU B 17 -4.773 -2.965 4.061 1.00 0.28 C ATOM 1891 C LEU B 17 -5.623 -4.174 3.723 1.00 0.27 C ATOM 1892 O LEU B 17 -6.760 -4.042 3.294 1.00 0.32 O ATOM 1893 CB LEU B 17 -3.825 -2.664 2.906 1.00 0.29 C ATOM 1894 CG LEU B 17 -2.781 -1.594 3.205 1.00 0.33 C ATOM 1895 CD1 LEU B 17 -1.776 -1.483 2.071 1.00 0.33 C ATOM 1896 CD2 LEU B 17 -3.445 -0.247 3.463 1.00 0.46 C ATOM 0 H LEU B 17 -3.023 -3.260 5.180 1.00 0.27 H new ATOM 0 HA LEU B 17 -5.402 -2.088 4.215 1.00 0.28 H new ATOM 0 HB2 LEU B 17 -3.313 -3.584 2.624 1.00 0.29 H new ATOM 0 HB3 LEU B 17 -4.412 -2.349 2.044 1.00 0.29 H new ATOM 0 HG LEU B 17 -2.246 -1.892 4.107 1.00 0.33 H new ATOM 0 HD11 LEU B 17 -1.042 -0.713 2.309 1.00 0.33 H new ATOM 0 HD12 LEU B 17 -1.269 -2.439 1.939 1.00 0.33 H new ATOM 0 HD13 LEU B 17 -2.295 -1.217 1.150 1.00 0.33 H new ATOM 0 HD21 LEU B 17 -2.681 0.501 3.674 1.00 0.46 H new ATOM 0 HD22 LEU B 17 -4.013 0.053 2.583 1.00 0.46 H new ATOM 0 HD23 LEU B 17 -4.117 -0.330 4.317 1.00 0.46 H new ATOM 1908 N ILE B 18 -5.051 -5.355 3.938 1.00 0.27 N ATOM 1909 CA ILE B 18 -5.780 -6.607 3.801 1.00 0.30 C ATOM 1910 C ILE B 18 -7.009 -6.610 4.705 1.00 0.28 C ATOM 1911 O ILE B 18 -8.096 -7.000 4.287 1.00 0.30 O ATOM 1912 CB ILE B 18 -4.876 -7.823 4.136 1.00 0.36 C ATOM 1913 CG1 ILE B 18 -3.814 -8.002 3.052 1.00 0.62 C ATOM 1914 CG2 ILE B 18 -5.700 -9.097 4.302 1.00 0.47 C ATOM 1915 CD1 ILE B 18 -2.881 -9.164 3.304 1.00 1.37 C ATOM 0 H ILE B 18 -4.075 -5.469 4.210 1.00 0.27 H new ATOM 0 HA ILE B 18 -6.100 -6.693 2.763 1.00 0.30 H new ATOM 0 HB ILE B 18 -4.379 -7.627 5.086 1.00 0.36 H new ATOM 0 HG12 ILE B 18 -4.308 -8.146 2.091 1.00 0.62 H new ATOM 0 HG13 ILE B 18 -3.228 -7.086 2.975 1.00 0.62 H new ATOM 0 HG21 ILE B 18 -5.038 -9.931 4.536 1.00 0.47 H new ATOM 0 HG22 ILE B 18 -6.416 -8.964 5.113 1.00 0.47 H new ATOM 0 HG23 ILE B 18 -6.235 -9.308 3.376 1.00 0.47 H new ATOM 0 HD11 ILE B 18 -2.154 -9.230 2.494 1.00 1.37 H new ATOM 0 HD12 ILE B 18 -2.359 -9.013 4.249 1.00 1.37 H new ATOM 0 HD13 ILE B 18 -3.456 -10.089 3.351 1.00 1.37 H new ATOM 1927 N ALA B 19 -6.825 -6.146 5.933 1.00 0.25 N ATOM 1928 CA ALA B 19 -7.896 -6.109 6.919 1.00 0.25 C ATOM 1929 C ALA B 19 -8.979 -5.107 6.537 1.00 0.23 C ATOM 1930 O ALA B 19 -10.159 -5.454 6.494 1.00 0.27 O ATOM 1931 CB ALA B 19 -7.330 -5.778 8.291 1.00 0.28 C ATOM 0 H ALA B 19 -5.933 -5.786 6.273 1.00 0.25 H new ATOM 0 HA ALA B 19 -8.357 -7.096 6.949 1.00 0.25 H new ATOM 0 HB1 ALA B 19 -8.138 -5.753 9.022 1.00 0.28 H new ATOM 0 HB2 ALA B 19 -6.605 -6.539 8.579 1.00 0.28 H new ATOM 0 HB3 ALA B 19 -6.841 -4.805 8.258 1.00 0.28 H new ATOM 1937 N VAL B 20 -8.580 -3.868 6.255 1.00 0.20 N ATOM 1938 CA VAL B 20 -9.535 -2.821 5.908 1.00 0.22 C ATOM 1939 C VAL B 20 -10.242 -3.175 4.614 1.00 0.23 C ATOM 1940 O VAL B 20 -11.450 -2.964 4.468 1.00 0.27 O ATOM 1941 CB VAL B 20 -8.864 -1.430 5.781 1.00 0.27 C ATOM 1942 CG1 VAL B 20 -7.936 -1.204 6.940 1.00 0.87 C ATOM 1943 CG2 VAL B 20 -8.104 -1.267 4.475 1.00 0.87 C ATOM 0 H VAL B 20 -7.606 -3.567 6.260 1.00 0.20 H new ATOM 0 HA VAL B 20 -10.259 -2.759 6.721 1.00 0.22 H new ATOM 0 HB VAL B 20 -9.660 -0.686 5.788 1.00 0.27 H new ATOM 0 HG11 VAL B 20 -7.467 -0.225 6.845 1.00 0.87 H new ATOM 0 HG12 VAL B 20 -8.500 -1.248 7.872 1.00 0.87 H new ATOM 0 HG13 VAL B 20 -7.166 -1.976 6.946 1.00 0.87 H new ATOM 0 HG21 VAL B 20 -7.654 -0.275 4.438 1.00 0.87 H new ATOM 0 HG22 VAL B 20 -7.322 -2.023 4.412 1.00 0.87 H new ATOM 0 HG23 VAL B 20 -8.791 -1.385 3.637 1.00 0.87 H new ATOM 1953 N PHE B 21 -9.481 -3.731 3.687 1.00 0.22 N ATOM 1954 CA PHE B 21 -10.049 -4.190 2.432 1.00 0.25 C ATOM 1955 C PHE B 21 -11.075 -5.288 2.684 1.00 0.29 C ATOM 1956 O PHE B 21 -12.195 -5.209 2.211 1.00 0.35 O ATOM 1957 CB PHE B 21 -8.959 -4.704 1.489 1.00 0.26 C ATOM 1958 CG PHE B 21 -9.498 -5.209 0.184 1.00 0.91 C ATOM 1959 CD1 PHE B 21 -9.884 -4.327 -0.806 1.00 1.85 C ATOM 1960 CD2 PHE B 21 -9.633 -6.567 -0.043 1.00 1.59 C ATOM 1961 CE1 PHE B 21 -10.394 -4.788 -2.001 1.00 2.48 C ATOM 1962 CE2 PHE B 21 -10.145 -7.034 -1.236 1.00 2.17 C ATOM 1963 CZ PHE B 21 -10.525 -6.143 -2.216 1.00 2.40 C ATOM 0 H PHE B 21 -8.475 -3.875 3.779 1.00 0.22 H new ATOM 0 HA PHE B 21 -10.542 -3.341 1.958 1.00 0.25 H new ATOM 0 HB2 PHE B 21 -8.247 -3.902 1.295 1.00 0.26 H new ATOM 0 HB3 PHE B 21 -8.409 -5.505 1.982 1.00 0.26 H new ATOM 0 HD1 PHE B 21 -9.785 -3.264 -0.642 1.00 1.85 H new ATOM 0 HD2 PHE B 21 -9.334 -7.269 0.722 1.00 1.59 H new ATOM 0 HE1 PHE B 21 -10.691 -4.088 -2.768 1.00 2.48 H new ATOM 0 HE2 PHE B 21 -10.248 -8.096 -1.402 1.00 2.17 H new ATOM 0 HZ PHE B 21 -10.925 -6.506 -3.151 1.00 2.40 H new ATOM 1973 N GLN B 22 -10.692 -6.286 3.467 1.00 0.30 N ATOM 1974 CA GLN B 22 -11.520 -7.465 3.680 1.00 0.37 C ATOM 1975 C GLN B 22 -12.780 -7.115 4.456 1.00 0.36 C ATOM 1976 O GLN B 22 -13.852 -7.635 4.169 1.00 0.44 O ATOM 1977 CB GLN B 22 -10.707 -8.523 4.432 1.00 0.47 C ATOM 1978 CG GLN B 22 -11.143 -9.962 4.196 1.00 1.11 C ATOM 1979 CD GLN B 22 -12.413 -10.354 4.931 1.00 1.98 C ATOM 1980 OE1 GLN B 22 -13.513 -10.301 4.383 1.00 2.68 O ATOM 1981 NE2 GLN B 22 -12.272 -10.737 6.189 1.00 2.65 N ATOM 0 H GLN B 22 -9.805 -6.302 3.970 1.00 0.30 H new ATOM 0 HA GLN B 22 -11.827 -7.860 2.712 1.00 0.37 H new ATOM 0 HB2 GLN B 22 -9.660 -8.426 4.145 1.00 0.47 H new ATOM 0 HB3 GLN B 22 -10.766 -8.313 5.500 1.00 0.47 H new ATOM 0 HG2 GLN B 22 -11.293 -10.114 3.127 1.00 1.11 H new ATOM 0 HG3 GLN B 22 -10.338 -10.629 4.503 1.00 1.11 H new ATOM 0 HE21 GLN B 22 -11.344 -10.769 6.611 1.00 2.65 H new ATOM 0 HE22 GLN B 22 -13.091 -11.000 6.737 1.00 2.65 H new ATOM 1990 N LYS B 23 -12.664 -6.222 5.424 1.00 0.35 N ATOM 1991 CA LYS B 23 -13.804 -5.895 6.258 1.00 0.39 C ATOM 1992 C LYS B 23 -14.882 -5.169 5.456 1.00 0.41 C ATOM 1993 O LYS B 23 -16.074 -5.393 5.667 1.00 0.49 O ATOM 1994 CB LYS B 23 -13.375 -5.065 7.467 1.00 0.41 C ATOM 1995 CG LYS B 23 -12.844 -3.706 7.123 1.00 0.42 C ATOM 1996 CD LYS B 23 -12.195 -3.083 8.329 1.00 0.63 C ATOM 1997 CE LYS B 23 -12.115 -1.589 8.164 1.00 0.64 C ATOM 1998 NZ LYS B 23 -11.465 -0.918 9.319 1.00 0.91 N ATOM 0 H LYS B 23 -11.806 -5.718 5.649 1.00 0.35 H new ATOM 0 HA LYS B 23 -14.230 -6.830 6.622 1.00 0.39 H new ATOM 0 HB2 LYS B 23 -14.228 -4.951 8.136 1.00 0.41 H new ATOM 0 HB3 LYS B 23 -12.610 -5.613 8.017 1.00 0.41 H new ATOM 0 HG2 LYS B 23 -12.121 -3.785 6.311 1.00 0.42 H new ATOM 0 HG3 LYS B 23 -13.654 -3.070 6.767 1.00 0.42 H new ATOM 0 HD2 LYS B 23 -12.766 -3.327 9.225 1.00 0.63 H new ATOM 0 HD3 LYS B 23 -11.195 -3.495 8.466 1.00 0.63 H new ATOM 0 HE2 LYS B 23 -11.560 -1.357 7.255 1.00 0.64 H new ATOM 0 HE3 LYS B 23 -13.120 -1.188 8.035 1.00 0.64 H new ATOM 0 HZ1 LYS B 23 -11.100 0.009 9.021 1.00 0.91 H new ATOM 0 HZ2 LYS B 23 -12.160 -0.788 10.081 1.00 0.91 H new ATOM 0 HZ3 LYS B 23 -10.679 -1.505 9.664 1.00 0.91 H new ATOM 2012 N TYR B 24 -14.468 -4.298 4.541 1.00 0.36 N ATOM 2013 CA TYR B 24 -15.420 -3.559 3.729 1.00 0.39 C ATOM 2014 C TYR B 24 -15.823 -4.319 2.474 1.00 0.34 C ATOM 2015 O TYR B 24 -16.959 -4.219 2.034 1.00 0.40 O ATOM 2016 CB TYR B 24 -14.888 -2.175 3.389 1.00 0.46 C ATOM 2017 CG TYR B 24 -15.309 -1.145 4.413 1.00 0.86 C ATOM 2018 CD1 TYR B 24 -16.499 -0.446 4.261 1.00 1.66 C ATOM 2019 CD2 TYR B 24 -14.544 -0.897 5.544 1.00 1.52 C ATOM 2020 CE1 TYR B 24 -16.916 0.467 5.208 1.00 1.99 C ATOM 2021 CE2 TYR B 24 -14.953 0.023 6.492 1.00 1.83 C ATOM 2022 CZ TYR B 24 -16.139 0.699 6.320 1.00 1.71 C ATOM 2023 OH TYR B 24 -16.558 1.597 7.272 1.00 2.15 O ATOM 0 H TYR B 24 -13.489 -4.090 4.347 1.00 0.36 H new ATOM 0 HA TYR B 24 -16.324 -3.439 4.327 1.00 0.39 H new ATOM 0 HB2 TYR B 24 -13.800 -2.208 3.332 1.00 0.46 H new ATOM 0 HB3 TYR B 24 -15.250 -1.878 2.405 1.00 0.46 H new ATOM 0 HD1 TYR B 24 -17.109 -0.620 3.387 1.00 1.66 H new ATOM 0 HD2 TYR B 24 -13.616 -1.430 5.686 1.00 1.52 H new ATOM 0 HE1 TYR B 24 -17.848 0.997 5.077 1.00 1.99 H new ATOM 0 HE2 TYR B 24 -14.344 0.210 7.364 1.00 1.83 H new ATOM 0 HH TYR B 24 -16.274 2.500 7.018 1.00 2.15 H new ATOM 2033 N ALA B 25 -14.898 -5.076 1.906 1.00 0.29 N ATOM 2034 CA ALA B 25 -15.196 -5.919 0.753 1.00 0.34 C ATOM 2035 C ALA B 25 -15.999 -7.136 1.190 1.00 0.47 C ATOM 2036 O ALA B 25 -16.592 -7.851 0.378 1.00 0.58 O ATOM 2037 CB ALA B 25 -13.910 -6.352 0.065 1.00 0.37 C ATOM 0 H ALA B 25 -13.930 -5.126 2.224 1.00 0.29 H new ATOM 0 HA ALA B 25 -15.789 -5.343 0.042 1.00 0.34 H new ATOM 0 HB1 ALA B 25 -14.150 -6.980 -0.793 1.00 0.37 H new ATOM 0 HB2 ALA B 25 -13.363 -5.471 -0.272 1.00 0.37 H new ATOM 0 HB3 ALA B 25 -13.294 -6.915 0.766 1.00 0.37 H new ATOM 2043 N GLY B 26 -15.985 -7.376 2.490 1.00 0.50 N ATOM 2044 CA GLY B 26 -16.712 -8.490 3.052 1.00 0.64 C ATOM 2045 C GLY B 26 -18.056 -8.077 3.621 1.00 0.76 C ATOM 2046 O GLY B 26 -18.633 -8.792 4.439 1.00 0.96 O ATOM 0 H GLY B 26 -15.477 -6.812 3.172 1.00 0.50 H new ATOM 0 HA2 GLY B 26 -16.864 -9.247 2.282 1.00 0.64 H new ATOM 0 HA3 GLY B 26 -16.114 -8.951 3.838 1.00 0.64 H new ATOM 2147 N THR B 33 -13.432 -8.448 -3.854 1.00 0.66 N ATOM 2148 CA THR B 33 -13.690 -7.127 -4.402 1.00 0.45 C ATOM 2149 C THR B 33 -14.493 -6.259 -3.453 1.00 0.37 C ATOM 2150 O THR B 33 -15.430 -6.713 -2.802 1.00 0.44 O ATOM 2151 CB THR B 33 -14.438 -7.222 -5.741 1.00 0.45 C ATOM 2152 OG1 THR B 33 -15.027 -8.523 -5.887 1.00 0.66 O ATOM 2153 CG2 THR B 33 -13.512 -6.928 -6.907 1.00 0.43 C ATOM 0 HA THR B 33 -12.715 -6.664 -4.555 1.00 0.45 H new ATOM 0 HB THR B 33 -15.229 -6.472 -5.743 1.00 0.45 H new ATOM 0 HG1 THR B 33 -14.720 -9.104 -5.160 1.00 0.66 H new ATOM 0 HG21 THR B 33 -14.068 -7.003 -7.841 1.00 0.43 H new ATOM 0 HG22 THR B 33 -13.107 -5.921 -6.805 1.00 0.43 H new ATOM 0 HG23 THR B 33 -12.694 -7.649 -6.913 1.00 0.43 H new ATOM 2161 N LEU B 34 -14.081 -5.011 -3.379 1.00 0.32 N ATOM 2162 CA LEU B 34 -14.787 -3.981 -2.658 1.00 0.30 C ATOM 2163 C LEU B 34 -15.794 -3.350 -3.600 1.00 0.31 C ATOM 2164 O LEU B 34 -15.425 -2.608 -4.519 1.00 0.34 O ATOM 2165 CB LEU B 34 -13.757 -2.961 -2.152 1.00 0.29 C ATOM 2166 CG LEU B 34 -13.801 -2.644 -0.660 1.00 0.29 C ATOM 2167 CD1 LEU B 34 -12.481 -2.048 -0.198 1.00 0.45 C ATOM 2168 CD2 LEU B 34 -14.922 -1.682 -0.362 1.00 0.28 C ATOM 0 H LEU B 34 -13.227 -4.681 -3.829 1.00 0.32 H new ATOM 0 HA LEU B 34 -15.326 -4.379 -1.798 1.00 0.30 H new ATOM 0 HB2 LEU B 34 -12.761 -3.331 -2.395 1.00 0.29 H new ATOM 0 HB3 LEU B 34 -13.895 -2.031 -2.704 1.00 0.29 H new ATOM 0 HG LEU B 34 -13.974 -3.575 -0.121 1.00 0.29 H new ATOM 0 HD11 LEU B 34 -12.534 -1.829 0.869 1.00 0.45 H new ATOM 0 HD12 LEU B 34 -11.676 -2.759 -0.383 1.00 0.45 H new ATOM 0 HD13 LEU B 34 -12.285 -1.127 -0.748 1.00 0.45 H new ATOM 0 HD21 LEU B 34 -14.941 -1.465 0.706 1.00 0.28 H new ATOM 0 HD22 LEU B 34 -14.765 -0.757 -0.917 1.00 0.28 H new ATOM 0 HD23 LEU B 34 -15.872 -2.127 -0.659 1.00 0.28 H new ATOM 2180 N SER B 35 -17.057 -3.697 -3.397 1.00 0.31 N ATOM 2181 CA SER B 35 -18.128 -3.285 -4.281 1.00 0.33 C ATOM 2182 C SER B 35 -18.279 -1.769 -4.288 1.00 0.32 C ATOM 2183 O SER B 35 -17.723 -1.081 -3.431 1.00 0.30 O ATOM 2184 CB SER B 35 -19.439 -3.959 -3.866 1.00 0.37 C ATOM 2185 OG SER B 35 -20.489 -3.681 -4.774 1.00 0.40 O ATOM 0 H SER B 35 -17.364 -4.273 -2.613 1.00 0.31 H new ATOM 0 HA SER B 35 -17.878 -3.598 -5.295 1.00 0.33 H new ATOM 0 HB2 SER B 35 -19.289 -5.037 -3.804 1.00 0.37 H new ATOM 0 HB3 SER B 35 -19.722 -3.619 -2.870 1.00 0.37 H new ATOM 0 HG SER B 35 -21.307 -4.130 -4.475 1.00 0.40 H new ATOM 2191 N LYS B 36 -19.036 -1.257 -5.254 1.00 0.38 N ATOM 2192 CA LYS B 36 -19.205 0.180 -5.428 1.00 0.42 C ATOM 2193 C LYS B 36 -19.584 0.846 -4.110 1.00 0.36 C ATOM 2194 O LYS B 36 -18.829 1.653 -3.579 1.00 0.35 O ATOM 2195 CB LYS B 36 -20.272 0.467 -6.489 1.00 0.53 C ATOM 2196 CG LYS B 36 -20.390 1.937 -6.863 1.00 0.62 C ATOM 2197 CD LYS B 36 -19.119 2.448 -7.524 1.00 0.66 C ATOM 2198 CE LYS B 36 -19.232 3.917 -7.903 1.00 0.61 C ATOM 2199 NZ LYS B 36 -20.290 4.158 -8.917 1.00 0.65 N ATOM 0 H LYS B 36 -19.546 -1.822 -5.933 1.00 0.38 H new ATOM 0 HA LYS B 36 -18.254 0.595 -5.762 1.00 0.42 H new ATOM 0 HB2 LYS B 36 -20.043 -0.109 -7.386 1.00 0.53 H new ATOM 0 HB3 LYS B 36 -21.237 0.117 -6.123 1.00 0.53 H new ATOM 0 HG2 LYS B 36 -21.234 2.075 -7.539 1.00 0.62 H new ATOM 0 HG3 LYS B 36 -20.598 2.525 -5.969 1.00 0.62 H new ATOM 0 HD2 LYS B 36 -18.276 2.311 -6.846 1.00 0.66 H new ATOM 0 HD3 LYS B 36 -18.910 1.857 -8.416 1.00 0.66 H new ATOM 0 HE2 LYS B 36 -19.447 4.505 -7.010 1.00 0.61 H new ATOM 0 HE3 LYS B 36 -18.274 4.265 -8.291 1.00 0.61 H new ATOM 0 HZ1 LYS B 36 -20.208 5.129 -9.280 1.00 0.65 H new ATOM 0 HZ2 LYS B 36 -20.179 3.484 -9.702 1.00 0.65 H new ATOM 0 HZ3 LYS B 36 -21.225 4.030 -8.480 1.00 0.65 H new ATOM 2213 N THR B 37 -20.729 0.465 -3.569 1.00 0.37 N ATOM 2214 CA THR B 37 -21.238 1.058 -2.340 1.00 0.38 C ATOM 2215 C THR B 37 -20.352 0.721 -1.141 1.00 0.36 C ATOM 2216 O THR B 37 -20.251 1.504 -0.194 1.00 0.38 O ATOM 2217 CB THR B 37 -22.669 0.577 -2.066 1.00 0.44 C ATOM 2218 OG1 THR B 37 -23.465 0.742 -3.247 1.00 0.47 O ATOM 2219 CG2 THR B 37 -23.293 1.355 -0.916 1.00 0.49 C ATOM 0 H THR B 37 -21.329 -0.259 -3.964 1.00 0.37 H new ATOM 0 HA THR B 37 -21.234 2.139 -2.477 1.00 0.38 H new ATOM 0 HB THR B 37 -22.633 -0.477 -1.789 1.00 0.44 H new ATOM 0 HG1 THR B 37 -24.378 0.433 -3.072 1.00 0.47 H new ATOM 0 HG21 THR B 37 -24.307 0.995 -0.741 1.00 0.49 H new ATOM 0 HG22 THR B 37 -22.697 1.212 -0.015 1.00 0.49 H new ATOM 0 HG23 THR B 37 -23.322 2.415 -1.168 1.00 0.49 H new ATOM 2227 N GLU B 38 -19.689 -0.428 -1.190 1.00 0.34 N ATOM 2228 CA GLU B 38 -18.796 -0.820 -0.110 1.00 0.33 C ATOM 2229 C GLU B 38 -17.616 0.129 -0.083 1.00 0.33 C ATOM 2230 O GLU B 38 -17.135 0.522 0.977 1.00 0.48 O ATOM 2231 CB GLU B 38 -18.298 -2.254 -0.285 1.00 0.34 C ATOM 2232 CG GLU B 38 -19.386 -3.309 -0.234 1.00 0.47 C ATOM 2233 CD GLU B 38 -18.826 -4.713 -0.372 1.00 1.27 C ATOM 2234 OE1 GLU B 38 -18.237 -5.018 -1.423 1.00 1.96 O ATOM 2235 OE2 GLU B 38 -18.968 -5.509 0.574 1.00 2.16 O ATOM 0 H GLU B 38 -19.752 -1.097 -1.957 1.00 0.34 H new ATOM 0 HA GLU B 38 -19.346 -0.772 0.830 1.00 0.33 H new ATOM 0 HB2 GLU B 38 -17.780 -2.331 -1.241 1.00 0.34 H new ATOM 0 HB3 GLU B 38 -17.565 -2.468 0.493 1.00 0.34 H new ATOM 0 HG2 GLU B 38 -19.927 -3.226 0.709 1.00 0.47 H new ATOM 0 HG3 GLU B 38 -20.106 -3.126 -1.032 1.00 0.47 H new ATOM 2242 N PHE B 39 -17.181 0.514 -1.275 1.00 0.29 N ATOM 2243 CA PHE B 39 -16.055 1.407 -1.447 1.00 0.31 C ATOM 2244 C PHE B 39 -16.468 2.822 -1.103 1.00 0.28 C ATOM 2245 O PHE B 39 -15.679 3.604 -0.575 1.00 0.27 O ATOM 2246 CB PHE B 39 -15.572 1.336 -2.891 1.00 0.53 C ATOM 2247 CG PHE B 39 -14.288 2.060 -3.143 1.00 0.81 C ATOM 2248 CD1 PHE B 39 -13.117 1.648 -2.530 1.00 1.76 C ATOM 2249 CD2 PHE B 39 -14.251 3.150 -3.992 1.00 1.78 C ATOM 2250 CE1 PHE B 39 -11.931 2.312 -2.761 1.00 2.61 C ATOM 2251 CE2 PHE B 39 -13.070 3.818 -4.228 1.00 2.66 C ATOM 2252 CZ PHE B 39 -11.907 3.399 -3.612 1.00 2.87 C ATOM 0 H PHE B 39 -17.605 0.211 -2.152 1.00 0.29 H new ATOM 0 HA PHE B 39 -15.244 1.107 -0.783 1.00 0.31 H new ATOM 0 HB2 PHE B 39 -15.447 0.290 -3.170 1.00 0.53 H new ATOM 0 HB3 PHE B 39 -16.343 1.749 -3.541 1.00 0.53 H new ATOM 0 HD1 PHE B 39 -13.133 0.798 -1.864 1.00 1.76 H new ATOM 0 HD2 PHE B 39 -15.158 3.481 -4.476 1.00 1.78 H new ATOM 0 HE1 PHE B 39 -11.023 1.983 -2.278 1.00 2.61 H new ATOM 0 HE2 PHE B 39 -13.053 4.668 -4.894 1.00 2.66 H new ATOM 0 HZ PHE B 39 -10.980 3.921 -3.796 1.00 2.87 H new ATOM 2262 N LEU B 40 -17.714 3.135 -1.409 1.00 0.33 N ATOM 2263 CA LEU B 40 -18.283 4.420 -1.068 1.00 0.37 C ATOM 2264 C LEU B 40 -18.282 4.591 0.443 1.00 0.40 C ATOM 2265 O LEU B 40 -17.812 5.597 0.971 1.00 0.43 O ATOM 2266 CB LEU B 40 -19.706 4.528 -1.607 1.00 0.43 C ATOM 2267 CG LEU B 40 -19.866 4.281 -3.112 1.00 0.50 C ATOM 2268 CD1 LEU B 40 -21.155 4.897 -3.626 1.00 1.07 C ATOM 2269 CD2 LEU B 40 -18.663 4.799 -3.884 1.00 0.46 C ATOM 0 H LEU B 40 -18.354 2.508 -1.897 1.00 0.33 H new ATOM 0 HA LEU B 40 -17.681 5.208 -1.520 1.00 0.37 H new ATOM 0 HB2 LEU B 40 -20.333 3.815 -1.072 1.00 0.43 H new ATOM 0 HB3 LEU B 40 -20.087 5.523 -1.378 1.00 0.43 H new ATOM 0 HG LEU B 40 -19.921 3.204 -3.272 1.00 0.50 H new ATOM 0 HD11 LEU B 40 -21.247 4.709 -4.696 1.00 1.07 H new ATOM 0 HD12 LEU B 40 -22.003 4.453 -3.105 1.00 1.07 H new ATOM 0 HD13 LEU B 40 -21.141 5.972 -3.446 1.00 1.07 H new ATOM 0 HD21 LEU B 40 -18.805 4.610 -4.948 1.00 0.46 H new ATOM 0 HD22 LEU B 40 -18.557 5.871 -3.717 1.00 0.46 H new ATOM 0 HD23 LEU B 40 -17.763 4.288 -3.541 1.00 0.46 H new ATOM 2281 N SER B 41 -18.788 3.577 1.128 1.00 0.42 N ATOM 2282 CA SER B 41 -18.799 3.557 2.576 1.00 0.52 C ATOM 2283 C SER B 41 -17.366 3.576 3.098 1.00 0.45 C ATOM 2284 O SER B 41 -17.042 4.338 4.007 1.00 0.47 O ATOM 2285 CB SER B 41 -19.541 2.311 3.080 1.00 0.67 C ATOM 2286 OG SER B 41 -19.719 2.343 4.487 1.00 1.40 O ATOM 0 H SER B 41 -19.200 2.750 0.695 1.00 0.42 H new ATOM 0 HA SER B 41 -19.320 4.440 2.946 1.00 0.52 H new ATOM 0 HB2 SER B 41 -20.513 2.243 2.591 1.00 0.67 H new ATOM 0 HB3 SER B 41 -18.982 1.417 2.804 1.00 0.67 H new ATOM 0 HG SER B 41 -20.196 1.536 4.775 1.00 1.40 H new ATOM 2292 N PHE B 42 -16.515 2.747 2.493 1.00 0.42 N ATOM 2293 CA PHE B 42 -15.101 2.672 2.847 1.00 0.46 C ATOM 2294 C PHE B 42 -14.447 4.034 2.777 1.00 0.29 C ATOM 2295 O PHE B 42 -13.910 4.517 3.754 1.00 0.42 O ATOM 2296 CB PHE B 42 -14.350 1.726 1.909 1.00 0.80 C ATOM 2297 CG PHE B 42 -12.909 1.552 2.297 1.00 1.89 C ATOM 2298 CD1 PHE B 42 -11.933 2.410 1.814 1.00 2.77 C ATOM 2299 CD2 PHE B 42 -12.537 0.546 3.168 1.00 2.69 C ATOM 2300 CE1 PHE B 42 -10.617 2.267 2.197 1.00 3.80 C ATOM 2301 CE2 PHE B 42 -11.222 0.393 3.551 1.00 3.73 C ATOM 2302 CZ PHE B 42 -10.260 1.255 3.067 1.00 4.13 C ATOM 0 H PHE B 42 -16.788 2.110 1.745 1.00 0.42 H new ATOM 0 HA PHE B 42 -15.050 2.295 3.868 1.00 0.46 H new ATOM 0 HB2 PHE B 42 -14.842 0.754 1.909 1.00 0.80 H new ATOM 0 HB3 PHE B 42 -14.404 2.111 0.891 1.00 0.80 H new ATOM 0 HD1 PHE B 42 -12.207 3.199 1.130 1.00 2.77 H new ATOM 0 HD2 PHE B 42 -13.286 -0.129 3.554 1.00 2.69 H new ATOM 0 HE1 PHE B 42 -9.866 2.945 1.818 1.00 3.80 H new ATOM 0 HE2 PHE B 42 -10.945 -0.401 4.229 1.00 3.73 H new ATOM 0 HZ PHE B 42 -9.229 1.139 3.368 1.00 4.13 H new ATOM 2312 N MET B 43 -14.480 4.647 1.616 1.00 0.26 N ATOM 2313 CA MET B 43 -13.783 5.905 1.429 1.00 0.29 C ATOM 2314 C MET B 43 -14.334 7.007 2.319 1.00 0.29 C ATOM 2315 O MET B 43 -13.584 7.854 2.778 1.00 0.37 O ATOM 2316 CB MET B 43 -13.820 6.348 -0.018 1.00 0.38 C ATOM 2317 CG MET B 43 -12.908 5.537 -0.923 1.00 0.62 C ATOM 2318 SD MET B 43 -12.342 6.460 -2.368 1.00 1.22 S ATOM 2319 CE MET B 43 -11.282 7.688 -1.603 1.00 2.25 C ATOM 0 H MET B 43 -14.975 4.302 0.794 1.00 0.26 H new ATOM 0 HA MET B 43 -12.747 5.726 1.717 1.00 0.29 H new ATOM 0 HB2 MET B 43 -14.843 6.274 -0.386 1.00 0.38 H new ATOM 0 HB3 MET B 43 -13.535 7.399 -0.076 1.00 0.38 H new ATOM 0 HG2 MET B 43 -12.043 5.202 -0.351 1.00 0.62 H new ATOM 0 HG3 MET B 43 -13.436 4.643 -1.254 1.00 0.62 H new ATOM 0 HE1 MET B 43 -11.687 8.683 -1.786 1.00 2.25 H new ATOM 0 HE2 MET B 43 -11.233 7.508 -0.529 1.00 2.25 H new ATOM 0 HE3 MET B 43 -10.281 7.620 -2.028 1.00 2.25 H new ATOM 2329 N ASN B 44 -15.631 7.008 2.575 1.00 0.29 N ATOM 2330 CA ASN B 44 -16.202 8.036 3.438 1.00 0.33 C ATOM 2331 C ASN B 44 -15.880 7.779 4.906 1.00 0.32 C ATOM 2332 O ASN B 44 -16.049 8.664 5.740 1.00 0.39 O ATOM 2333 CB ASN B 44 -17.712 8.150 3.282 1.00 0.42 C ATOM 2334 CG ASN B 44 -18.141 8.906 2.038 1.00 1.05 C ATOM 2335 OD1 ASN B 44 -18.195 10.135 2.035 1.00 1.53 O ATOM 2336 ND2 ASN B 44 -18.479 8.185 0.987 1.00 1.83 N ATOM 0 H ASN B 44 -16.297 6.328 2.210 1.00 0.29 H new ATOM 0 HA ASN B 44 -15.745 8.974 3.122 1.00 0.33 H new ATOM 0 HB2 ASN B 44 -18.142 7.149 3.255 1.00 0.42 H new ATOM 0 HB3 ASN B 44 -18.122 8.649 4.160 1.00 0.42 H new ATOM 0 HD21 ASN B 44 -18.798 8.645 0.134 1.00 1.83 H new ATOM 0 HD22 ASN B 44 -18.421 7.167 1.027 1.00 1.83 H new ATOM 2343 N THR B 45 -15.449 6.568 5.231 1.00 0.27 N ATOM 2344 CA THR B 45 -15.093 6.246 6.614 1.00 0.29 C ATOM 2345 C THR B 45 -13.587 6.162 6.813 1.00 0.28 C ATOM 2346 O THR B 45 -12.988 6.951 7.546 1.00 0.34 O ATOM 2347 CB THR B 45 -15.702 4.905 7.053 1.00 0.30 C ATOM 2348 OG1 THR B 45 -15.490 3.922 6.036 1.00 0.34 O ATOM 2349 CG2 THR B 45 -17.186 5.042 7.333 1.00 0.34 C ATOM 0 H THR B 45 -15.337 5.799 4.570 1.00 0.27 H new ATOM 0 HA THR B 45 -15.495 7.058 7.220 1.00 0.29 H new ATOM 0 HB THR B 45 -15.210 4.592 7.974 1.00 0.30 H new ATOM 0 HG1 THR B 45 -16.110 4.080 5.294 1.00 0.34 H new ATOM 0 HG21 THR B 45 -17.589 4.077 7.641 1.00 0.34 H new ATOM 0 HG22 THR B 45 -17.340 5.771 8.129 1.00 0.34 H new ATOM 0 HG23 THR B 45 -17.697 5.377 6.430 1.00 0.34 H new ATOM 2357 N GLU B 46 -12.991 5.210 6.127 1.00 0.23 N ATOM 2358 CA GLU B 46 -11.594 4.887 6.286 1.00 0.25 C ATOM 2359 C GLU B 46 -10.713 5.879 5.539 1.00 0.25 C ATOM 2360 O GLU B 46 -9.511 5.926 5.748 1.00 0.34 O ATOM 2361 CB GLU B 46 -11.333 3.467 5.791 1.00 0.29 C ATOM 2362 CG GLU B 46 -12.176 2.413 6.489 1.00 0.57 C ATOM 2363 CD GLU B 46 -11.840 2.274 7.959 1.00 1.17 C ATOM 2364 OE1 GLU B 46 -10.959 1.458 8.292 1.00 1.68 O ATOM 2365 OE2 GLU B 46 -12.460 2.967 8.789 1.00 1.70 O ATOM 0 H GLU B 46 -13.471 4.633 5.436 1.00 0.23 H new ATOM 0 HA GLU B 46 -11.344 4.950 7.345 1.00 0.25 H new ATOM 0 HB2 GLU B 46 -11.527 3.424 4.719 1.00 0.29 H new ATOM 0 HB3 GLU B 46 -10.279 3.230 5.934 1.00 0.29 H new ATOM 0 HG2 GLU B 46 -13.230 2.669 6.384 1.00 0.57 H new ATOM 0 HG3 GLU B 46 -12.031 1.452 5.995 1.00 0.57 H new ATOM 2372 N LEU B 47 -11.304 6.667 4.660 1.00 0.25 N ATOM 2373 CA LEU B 47 -10.549 7.686 3.949 1.00 0.26 C ATOM 2374 C LEU B 47 -11.281 9.009 3.978 1.00 0.28 C ATOM 2375 O LEU B 47 -11.130 9.833 3.079 1.00 0.30 O ATOM 2376 CB LEU B 47 -10.295 7.262 2.507 1.00 0.26 C ATOM 2377 CG LEU B 47 -9.417 6.027 2.351 1.00 0.27 C ATOM 2378 CD1 LEU B 47 -9.307 5.639 0.891 1.00 0.32 C ATOM 2379 CD2 LEU B 47 -8.043 6.286 2.950 1.00 0.28 C ATOM 0 H LEU B 47 -12.295 6.624 4.422 1.00 0.25 H new ATOM 0 HA LEU B 47 -9.589 7.806 4.451 1.00 0.26 H new ATOM 0 HB2 LEU B 47 -11.254 7.073 2.024 1.00 0.26 H new ATOM 0 HB3 LEU B 47 -9.829 8.092 1.976 1.00 0.26 H new ATOM 0 HG LEU B 47 -9.875 5.196 2.887 1.00 0.27 H new ATOM 0 HD11 LEU B 47 -8.677 4.755 0.796 1.00 0.32 H new ATOM 0 HD12 LEU B 47 -10.300 5.421 0.497 1.00 0.32 H new ATOM 0 HD13 LEU B 47 -8.866 6.462 0.328 1.00 0.32 H new ATOM 0 HD21 LEU B 47 -7.422 5.398 2.834 1.00 0.28 H new ATOM 0 HD22 LEU B 47 -7.575 7.126 2.437 1.00 0.28 H new ATOM 0 HD23 LEU B 47 -8.146 6.521 4.009 1.00 0.28 H new ATOM 2391 N ALA B 48 -12.091 9.193 5.008 1.00 0.32 N ATOM 2392 CA ALA B 48 -12.851 10.416 5.183 1.00 0.37 C ATOM 2393 C ALA B 48 -11.942 11.638 5.215 1.00 0.39 C ATOM 2394 O ALA B 48 -12.363 12.740 4.866 1.00 0.44 O ATOM 2395 CB ALA B 48 -13.676 10.323 6.451 1.00 0.41 C ATOM 0 H ALA B 48 -12.239 8.501 5.742 1.00 0.32 H new ATOM 0 HA ALA B 48 -13.518 10.535 4.329 1.00 0.37 H new ATOM 0 HB1 ALA B 48 -14.247 11.242 6.582 1.00 0.41 H new ATOM 0 HB2 ALA B 48 -14.361 9.478 6.378 1.00 0.41 H new ATOM 0 HB3 ALA B 48 -13.015 10.182 7.306 1.00 0.41 H new ATOM 2401 N ALA B 49 -10.698 11.428 5.623 1.00 0.38 N ATOM 2402 CA ALA B 49 -9.688 12.475 5.613 1.00 0.41 C ATOM 2403 C ALA B 49 -9.522 13.052 4.215 1.00 0.41 C ATOM 2404 O ALA B 49 -9.450 14.266 4.032 1.00 0.47 O ATOM 2405 CB ALA B 49 -8.367 11.916 6.107 1.00 0.44 C ATOM 0 H ALA B 49 -10.362 10.529 5.969 1.00 0.38 H new ATOM 0 HA ALA B 49 -10.011 13.277 6.276 1.00 0.41 H new ATOM 0 HB1 ALA B 49 -7.613 12.703 6.098 1.00 0.44 H new ATOM 0 HB2 ALA B 49 -8.488 11.541 7.123 1.00 0.44 H new ATOM 0 HB3 ALA B 49 -8.050 11.102 5.455 1.00 0.44 H new ATOM 2411 N PHE B 50 -9.465 12.167 3.238 1.00 0.36 N ATOM 2412 CA PHE B 50 -9.307 12.556 1.849 1.00 0.37 C ATOM 2413 C PHE B 50 -10.665 12.858 1.224 1.00 0.38 C ATOM 2414 O PHE B 50 -10.871 13.910 0.617 1.00 0.44 O ATOM 2415 CB PHE B 50 -8.628 11.421 1.086 1.00 0.35 C ATOM 2416 CG PHE B 50 -8.176 11.798 -0.297 1.00 0.70 C ATOM 2417 CD1 PHE B 50 -6.916 12.339 -0.503 1.00 1.63 C ATOM 2418 CD2 PHE B 50 -9.008 11.613 -1.390 1.00 1.33 C ATOM 2419 CE1 PHE B 50 -6.494 12.687 -1.771 1.00 2.10 C ATOM 2420 CE2 PHE B 50 -8.591 11.960 -2.661 1.00 1.67 C ATOM 2421 CZ PHE B 50 -7.332 12.498 -2.852 1.00 1.80 C ATOM 0 H PHE B 50 -9.527 11.159 3.384 1.00 0.36 H new ATOM 0 HA PHE B 50 -8.694 13.456 1.796 1.00 0.37 H new ATOM 0 HB2 PHE B 50 -7.766 11.078 1.658 1.00 0.35 H new ATOM 0 HB3 PHE B 50 -9.319 10.581 1.015 1.00 0.35 H new ATOM 0 HD1 PHE B 50 -6.256 12.490 0.339 1.00 1.63 H new ATOM 0 HD2 PHE B 50 -9.993 11.193 -1.247 1.00 1.33 H new ATOM 0 HE1 PHE B 50 -5.510 13.107 -1.917 1.00 2.10 H new ATOM 0 HE2 PHE B 50 -9.248 11.811 -3.505 1.00 1.67 H new ATOM 0 HZ PHE B 50 -7.005 12.770 -3.845 1.00 1.80 H new ATOM 2431 N THR B 51 -11.582 11.920 1.404 1.00 0.36 N ATOM 2432 CA THR B 51 -12.901 11.959 0.791 1.00 0.40 C ATOM 2433 C THR B 51 -13.673 13.226 1.140 1.00 0.45 C ATOM 2434 O THR B 51 -14.123 13.951 0.255 1.00 0.53 O ATOM 2435 CB THR B 51 -13.707 10.735 1.246 1.00 0.39 C ATOM 2436 OG1 THR B 51 -13.097 9.540 0.746 1.00 0.39 O ATOM 2437 CG2 THR B 51 -15.157 10.813 0.798 1.00 0.49 C ATOM 0 H THR B 51 -11.429 11.098 1.989 1.00 0.36 H new ATOM 0 HA THR B 51 -12.758 11.951 -0.290 1.00 0.40 H new ATOM 0 HB THR B 51 -13.704 10.718 2.336 1.00 0.39 H new ATOM 0 HG1 THR B 51 -12.926 8.924 1.489 1.00 0.39 H new ATOM 0 HG21 THR B 51 -15.692 9.927 1.141 1.00 0.49 H new ATOM 0 HG22 THR B 51 -15.621 11.704 1.221 1.00 0.49 H new ATOM 0 HG23 THR B 51 -15.199 10.864 -0.290 1.00 0.49 H new ATOM 2445 N LYS B 52 -13.807 13.497 2.428 1.00 0.47 N ATOM 2446 CA LYS B 52 -14.639 14.599 2.885 1.00 0.60 C ATOM 2447 C LYS B 52 -13.939 15.926 2.684 1.00 0.69 C ATOM 2448 O LYS B 52 -14.543 16.991 2.812 1.00 0.84 O ATOM 2449 CB LYS B 52 -14.988 14.416 4.353 1.00 0.70 C ATOM 2450 CG LYS B 52 -15.869 13.203 4.600 1.00 0.78 C ATOM 2451 CD LYS B 52 -16.199 13.036 6.071 1.00 1.07 C ATOM 2452 CE LYS B 52 -17.140 11.863 6.292 1.00 1.24 C ATOM 2453 NZ LYS B 52 -18.510 12.143 5.785 1.00 1.82 N ATOM 0 H LYS B 52 -13.352 12.971 3.174 1.00 0.47 H new ATOM 0 HA LYS B 52 -15.555 14.601 2.294 1.00 0.60 H new ATOM 0 HB2 LYS B 52 -14.069 14.316 4.931 1.00 0.70 H new ATOM 0 HB3 LYS B 52 -15.497 15.309 4.715 1.00 0.70 H new ATOM 0 HG2 LYS B 52 -16.792 13.302 4.029 1.00 0.78 H new ATOM 0 HG3 LYS B 52 -15.365 12.308 4.237 1.00 0.78 H new ATOM 0 HD2 LYS B 52 -15.281 12.881 6.637 1.00 1.07 H new ATOM 0 HD3 LYS B 52 -16.657 13.950 6.450 1.00 1.07 H new ATOM 0 HE2 LYS B 52 -16.742 10.980 5.792 1.00 1.24 H new ATOM 0 HE3 LYS B 52 -17.188 11.632 7.356 1.00 1.24 H new ATOM 0 HZ1 LYS B 52 -19.158 11.394 6.103 1.00 1.82 H new ATOM 0 HZ2 LYS B 52 -18.835 13.061 6.151 1.00 1.82 H new ATOM 0 HZ3 LYS B 52 -18.497 12.170 4.745 1.00 1.82 H new ATOM 2546 N GLY B 58 -18.575 12.472 -6.101 1.00 0.67 N ATOM 2547 CA GLY B 58 -18.277 11.913 -7.404 1.00 0.56 C ATOM 2548 C GLY B 58 -16.845 11.447 -7.514 1.00 0.49 C ATOM 2549 O GLY B 58 -16.493 10.715 -8.431 1.00 0.48 O ATOM 0 HA2 GLY B 58 -18.946 11.074 -7.599 1.00 0.56 H new ATOM 0 HA3 GLY B 58 -18.473 12.662 -8.172 1.00 0.56 H new ATOM 2553 N VAL B 59 -16.017 11.859 -6.569 1.00 0.52 N ATOM 2554 CA VAL B 59 -14.610 11.496 -6.584 1.00 0.52 C ATOM 2555 C VAL B 59 -14.411 10.012 -6.351 1.00 0.49 C ATOM 2556 O VAL B 59 -13.585 9.385 -7.010 1.00 0.49 O ATOM 2557 CB VAL B 59 -13.804 12.291 -5.539 1.00 0.61 C ATOM 2558 CG1 VAL B 59 -14.384 12.098 -4.146 1.00 0.65 C ATOM 2559 CG2 VAL B 59 -12.343 11.879 -5.566 1.00 0.66 C ATOM 0 H VAL B 59 -16.295 12.445 -5.782 1.00 0.52 H new ATOM 0 HA VAL B 59 -14.240 11.748 -7.578 1.00 0.52 H new ATOM 0 HB VAL B 59 -13.871 13.349 -5.793 1.00 0.61 H new ATOM 0 HG11 VAL B 59 -13.798 12.669 -3.426 1.00 0.65 H new ATOM 0 HG12 VAL B 59 -15.417 12.446 -4.131 1.00 0.65 H new ATOM 0 HG13 VAL B 59 -14.353 11.041 -3.882 1.00 0.65 H new ATOM 0 HG21 VAL B 59 -11.790 12.451 -4.821 1.00 0.66 H new ATOM 0 HG22 VAL B 59 -12.261 10.816 -5.341 1.00 0.66 H new ATOM 0 HG23 VAL B 59 -11.928 12.074 -6.555 1.00 0.66 H new ATOM 2569 N LEU B 60 -15.171 9.441 -5.432 1.00 0.48 N ATOM 2570 CA LEU B 60 -15.048 8.021 -5.147 1.00 0.46 C ATOM 2571 C LEU B 60 -15.476 7.238 -6.370 1.00 0.43 C ATOM 2572 O LEU B 60 -15.051 6.107 -6.598 1.00 0.41 O ATOM 2573 CB LEU B 60 -15.903 7.607 -3.956 1.00 0.48 C ATOM 2574 CG LEU B 60 -15.939 8.598 -2.794 1.00 0.52 C ATOM 2575 CD1 LEU B 60 -16.763 8.042 -1.642 1.00 0.51 C ATOM 2576 CD2 LEU B 60 -14.534 8.933 -2.334 1.00 0.52 C ATOM 0 H LEU B 60 -15.872 9.931 -4.876 1.00 0.48 H new ATOM 0 HA LEU B 60 -14.008 7.810 -4.898 1.00 0.46 H new ATOM 0 HB2 LEU B 60 -16.923 7.444 -4.303 1.00 0.48 H new ATOM 0 HB3 LEU B 60 -15.537 6.650 -3.583 1.00 0.48 H new ATOM 0 HG LEU B 60 -16.412 9.516 -3.141 1.00 0.52 H new ATOM 0 HD11 LEU B 60 -16.777 8.762 -0.824 1.00 0.51 H new ATOM 0 HD12 LEU B 60 -17.783 7.857 -1.980 1.00 0.51 H new ATOM 0 HD13 LEU B 60 -16.321 7.108 -1.296 1.00 0.51 H new ATOM 0 HD21 LEU B 60 -14.581 9.640 -1.506 1.00 0.52 H new ATOM 0 HD22 LEU B 60 -14.032 8.023 -2.006 1.00 0.52 H new ATOM 0 HD23 LEU B 60 -13.977 9.377 -3.159 1.00 0.52 H new ATOM 2588 N ASP B 61 -16.321 7.882 -7.160 1.00 0.46 N ATOM 2589 CA ASP B 61 -16.808 7.310 -8.402 1.00 0.46 C ATOM 2590 C ASP B 61 -15.685 7.290 -9.420 1.00 0.47 C ATOM 2591 O ASP B 61 -15.525 6.338 -10.188 1.00 0.51 O ATOM 2592 CB ASP B 61 -17.984 8.131 -8.932 1.00 0.47 C ATOM 2593 CG ASP B 61 -18.885 7.337 -9.860 1.00 0.48 C ATOM 2594 OD1 ASP B 61 -18.611 7.300 -11.077 1.00 1.19 O ATOM 2595 OD2 ASP B 61 -19.880 6.753 -9.379 1.00 1.22 O ATOM 0 H ASP B 61 -16.686 8.813 -6.958 1.00 0.46 H new ATOM 0 HA ASP B 61 -17.149 6.291 -8.221 1.00 0.46 H new ATOM 0 HB2 ASP B 61 -18.571 8.501 -8.091 1.00 0.47 H new ATOM 0 HB3 ASP B 61 -17.602 9.003 -9.462 1.00 0.47 H new ATOM 2600 N ARG B 62 -14.899 8.350 -9.395 1.00 0.47 N ATOM 2601 CA ARG B 62 -13.743 8.480 -10.262 1.00 0.51 C ATOM 2602 C ARG B 62 -12.671 7.488 -9.847 1.00 0.50 C ATOM 2603 O ARG B 62 -12.048 6.856 -10.693 1.00 0.56 O ATOM 2604 CB ARG B 62 -13.212 9.909 -10.199 1.00 0.55 C ATOM 2605 CG ARG B 62 -14.287 10.936 -10.489 1.00 0.55 C ATOM 2606 CD ARG B 62 -13.815 12.351 -10.252 1.00 0.62 C ATOM 2607 NE ARG B 62 -14.890 13.303 -10.509 1.00 1.45 N ATOM 2608 CZ ARG B 62 -15.355 14.167 -9.611 1.00 1.97 C ATOM 2609 NH1 ARG B 62 -14.741 14.327 -8.444 1.00 1.66 N ATOM 2610 NH2 ARG B 62 -16.423 14.896 -9.893 1.00 3.02 N ATOM 0 H ARG B 62 -15.044 9.145 -8.773 1.00 0.47 H new ATOM 0 HA ARG B 62 -14.033 8.262 -11.290 1.00 0.51 H new ATOM 0 HB2 ARG B 62 -12.793 10.095 -9.210 1.00 0.55 H new ATOM 0 HB3 ARG B 62 -12.400 10.024 -10.917 1.00 0.55 H new ATOM 0 HG2 ARG B 62 -14.613 10.834 -11.524 1.00 0.55 H new ATOM 0 HG3 ARG B 62 -15.155 10.736 -9.861 1.00 0.55 H new ATOM 0 HD2 ARG B 62 -13.467 12.456 -9.224 1.00 0.62 H new ATOM 0 HD3 ARG B 62 -12.966 12.570 -10.900 1.00 0.62 H new ATOM 0 HE ARG B 62 -15.312 13.306 -11.437 1.00 1.45 H new ATOM 0 HH11 ARG B 62 -13.904 13.785 -8.229 1.00 1.66 H new ATOM 0 HH12 ARG B 62 -15.106 14.992 -7.763 1.00 1.66 H new ATOM 0 HH21 ARG B 62 -16.886 14.794 -10.796 1.00 3.02 H new ATOM 0 HH22 ARG B 62 -16.783 15.560 -9.207 1.00 3.02 H new ATOM 2624 N MET B 63 -12.475 7.344 -8.536 1.00 0.45 N ATOM 2625 CA MET B 63 -11.538 6.356 -8.011 1.00 0.44 C ATOM 2626 C MET B 63 -11.923 4.985 -8.498 1.00 0.41 C ATOM 2627 O MET B 63 -11.120 4.296 -9.112 1.00 0.42 O ATOM 2628 CB MET B 63 -11.524 6.331 -6.487 1.00 0.43 C ATOM 2629 CG MET B 63 -11.255 7.677 -5.859 1.00 0.49 C ATOM 2630 SD MET B 63 -9.642 8.331 -6.344 1.00 0.63 S ATOM 2631 CE MET B 63 -9.517 9.773 -5.291 1.00 1.54 C ATOM 0 H MET B 63 -12.951 7.897 -7.823 1.00 0.45 H new ATOM 0 HA MET B 63 -10.546 6.636 -8.364 1.00 0.44 H new ATOM 0 HB2 MET B 63 -12.484 5.959 -6.130 1.00 0.43 H new ATOM 0 HB3 MET B 63 -10.764 5.625 -6.151 1.00 0.43 H new ATOM 0 HG2 MET B 63 -12.036 8.378 -6.154 1.00 0.49 H new ATOM 0 HG3 MET B 63 -11.300 7.588 -4.774 1.00 0.49 H new ATOM 0 HE1 MET B 63 -9.599 10.675 -5.898 1.00 1.54 H new ATOM 0 HE2 MET B 63 -10.320 9.757 -4.555 1.00 1.54 H new ATOM 0 HE3 MET B 63 -8.555 9.767 -4.779 1.00 1.54 H new ATOM 2641 N MET B 64 -13.169 4.612 -8.223 1.00 0.41 N ATOM 2642 CA MET B 64 -13.691 3.321 -8.625 1.00 0.42 C ATOM 2643 C MET B 64 -13.332 3.020 -10.066 1.00 0.44 C ATOM 2644 O MET B 64 -12.665 2.042 -10.337 1.00 0.41 O ATOM 2645 CB MET B 64 -15.210 3.271 -8.445 1.00 0.55 C ATOM 2646 CG MET B 64 -15.847 1.999 -8.984 1.00 0.65 C ATOM 2647 SD MET B 64 -15.168 0.501 -8.246 1.00 1.87 S ATOM 2648 CE MET B 64 -15.523 0.773 -6.513 1.00 2.41 C ATOM 0 H MET B 64 -13.837 5.195 -7.719 1.00 0.41 H new ATOM 0 HA MET B 64 -13.237 2.564 -7.986 1.00 0.42 H new ATOM 0 HB2 MET B 64 -15.445 3.363 -7.385 1.00 0.55 H new ATOM 0 HB3 MET B 64 -15.655 4.131 -8.946 1.00 0.55 H new ATOM 0 HG2 MET B 64 -16.921 2.032 -8.802 1.00 0.65 H new ATOM 0 HG3 MET B 64 -15.708 1.960 -10.064 1.00 0.65 H new ATOM 0 HE1 MET B 64 -15.879 -0.154 -6.065 1.00 2.41 H new ATOM 0 HE2 MET B 64 -14.616 1.098 -6.003 1.00 2.41 H new ATOM 0 HE3 MET B 64 -16.290 1.541 -6.415 1.00 2.41 H new ATOM 2658 N LYS B 65 -13.712 3.894 -10.981 1.00 0.52 N ATOM 2659 CA LYS B 65 -13.523 3.593 -12.397 1.00 0.56 C ATOM 2660 C LYS B 65 -12.074 3.782 -12.840 1.00 0.54 C ATOM 2661 O LYS B 65 -11.647 3.184 -13.826 1.00 0.60 O ATOM 2662 CB LYS B 65 -14.475 4.403 -13.275 1.00 0.67 C ATOM 2663 CG LYS B 65 -15.937 4.005 -13.107 1.00 0.79 C ATOM 2664 CD LYS B 65 -16.143 2.491 -13.214 1.00 0.86 C ATOM 2665 CE LYS B 65 -15.631 1.928 -14.533 1.00 1.57 C ATOM 2666 NZ LYS B 65 -15.819 0.453 -14.622 1.00 2.49 N ATOM 0 H LYS B 65 -14.143 4.797 -10.782 1.00 0.52 H new ATOM 0 HA LYS B 65 -13.764 2.538 -12.526 1.00 0.56 H new ATOM 0 HB2 LYS B 65 -14.364 5.461 -13.039 1.00 0.67 H new ATOM 0 HB3 LYS B 65 -14.190 4.278 -14.320 1.00 0.67 H new ATOM 0 HG2 LYS B 65 -16.296 4.351 -12.138 1.00 0.79 H new ATOM 0 HG3 LYS B 65 -16.537 4.506 -13.867 1.00 0.79 H new ATOM 0 HD2 LYS B 65 -15.630 1.998 -12.388 1.00 0.86 H new ATOM 0 HD3 LYS B 65 -17.204 2.263 -13.112 1.00 0.86 H new ATOM 0 HE2 LYS B 65 -16.153 2.410 -15.360 1.00 1.57 H new ATOM 0 HE3 LYS B 65 -14.573 2.166 -14.642 1.00 1.57 H new ATOM 0 HZ1 LYS B 65 -15.536 0.123 -15.567 1.00 2.49 H new ATOM 0 HZ2 LYS B 65 -15.233 -0.016 -13.902 1.00 2.49 H new ATOM 0 HZ3 LYS B 65 -16.820 0.220 -14.460 1.00 2.49 H new ATOM 2680 N LYS B 66 -11.321 4.600 -12.121 1.00 0.50 N ATOM 2681 CA LYS B 66 -9.888 4.738 -12.372 1.00 0.52 C ATOM 2682 C LYS B 66 -9.170 3.453 -11.994 1.00 0.48 C ATOM 2683 O LYS B 66 -8.341 2.933 -12.740 1.00 0.54 O ATOM 2684 CB LYS B 66 -9.303 5.890 -11.549 1.00 0.55 C ATOM 2685 CG LYS B 66 -7.784 5.977 -11.610 1.00 0.91 C ATOM 2686 CD LYS B 66 -7.244 7.104 -10.737 1.00 0.96 C ATOM 2687 CE LYS B 66 -7.615 6.920 -9.269 1.00 0.73 C ATOM 2688 NZ LYS B 66 -7.096 8.028 -8.425 1.00 1.47 N ATOM 0 H LYS B 66 -11.674 5.179 -11.359 1.00 0.50 H new ATOM 0 HA LYS B 66 -9.748 4.946 -13.433 1.00 0.52 H new ATOM 0 HB2 LYS B 66 -9.726 6.830 -11.904 1.00 0.55 H new ATOM 0 HB3 LYS B 66 -9.610 5.774 -10.509 1.00 0.55 H new ATOM 0 HG2 LYS B 66 -7.353 5.029 -11.287 1.00 0.91 H new ATOM 0 HG3 LYS B 66 -7.470 6.135 -12.642 1.00 0.91 H new ATOM 0 HD2 LYS B 66 -6.159 7.149 -10.834 1.00 0.96 H new ATOM 0 HD3 LYS B 66 -7.635 8.057 -11.093 1.00 0.96 H new ATOM 0 HE2 LYS B 66 -8.699 6.867 -9.172 1.00 0.73 H new ATOM 0 HE3 LYS B 66 -7.216 5.972 -8.909 1.00 0.73 H new ATOM 0 HZ1 LYS B 66 -7.796 8.264 -7.693 1.00 1.47 H new ATOM 0 HZ2 LYS B 66 -6.208 7.733 -7.972 1.00 1.47 H new ATOM 0 HZ3 LYS B 66 -6.921 8.864 -9.019 1.00 1.47 H new ATOM 2702 N LEU B 67 -9.514 2.951 -10.825 1.00 0.41 N ATOM 2703 CA LEU B 67 -8.833 1.819 -10.238 1.00 0.39 C ATOM 2704 C LEU B 67 -9.366 0.512 -10.784 1.00 0.40 C ATOM 2705 O LEU B 67 -8.591 -0.418 -10.983 1.00 0.46 O ATOM 2706 CB LEU B 67 -9.013 1.850 -8.734 1.00 0.34 C ATOM 2707 CG LEU B 67 -8.652 3.183 -8.077 1.00 0.33 C ATOM 2708 CD1 LEU B 67 -9.161 3.230 -6.652 1.00 0.30 C ATOM 2709 CD2 LEU B 67 -7.151 3.418 -8.125 1.00 0.37 C ATOM 0 H LEU B 67 -10.276 3.319 -10.255 1.00 0.41 H new ATOM 0 HA LEU B 67 -7.775 1.886 -10.492 1.00 0.39 H new ATOM 0 HB2 LEU B 67 -10.051 1.614 -8.501 1.00 0.34 H new ATOM 0 HB3 LEU B 67 -8.401 1.064 -8.292 1.00 0.34 H new ATOM 0 HG LEU B 67 -9.136 3.983 -8.637 1.00 0.33 H new ATOM 0 HD11 LEU B 67 -8.894 4.186 -6.202 1.00 0.30 H new ATOM 0 HD12 LEU B 67 -10.245 3.117 -6.649 1.00 0.30 H new ATOM 0 HD13 LEU B 67 -8.711 2.420 -6.078 1.00 0.30 H new ATOM 0 HD21 LEU B 67 -6.917 4.372 -7.652 1.00 0.37 H new ATOM 0 HD22 LEU B 67 -6.640 2.615 -7.594 1.00 0.37 H new ATOM 0 HD23 LEU B 67 -6.819 3.436 -9.163 1.00 0.37 H new ATOM 2721 N ASP B 68 -10.686 0.461 -11.013 1.00 0.39 N ATOM 2722 CA ASP B 68 -11.378 -0.736 -11.513 1.00 0.42 C ATOM 2723 C ASP B 68 -10.842 -1.125 -12.874 1.00 0.52 C ATOM 2724 O ASP B 68 -11.437 -0.869 -13.923 1.00 0.57 O ATOM 2725 CB ASP B 68 -12.890 -0.491 -11.577 1.00 0.43 C ATOM 2726 CG ASP B 68 -13.664 -1.602 -12.266 1.00 0.46 C ATOM 2727 OD1 ASP B 68 -13.403 -2.793 -11.996 1.00 1.13 O ATOM 2728 OD2 ASP B 68 -14.540 -1.282 -13.098 1.00 1.23 O ATOM 0 H ASP B 68 -11.308 1.254 -10.856 1.00 0.39 H new ATOM 0 HA ASP B 68 -11.193 -1.559 -10.823 1.00 0.42 H new ATOM 0 HB2 ASP B 68 -13.272 -0.370 -10.563 1.00 0.43 H new ATOM 0 HB3 ASP B 68 -13.075 0.447 -12.101 1.00 0.43 H new ATOM 2733 N THR B 69 -9.685 -1.716 -12.826 1.00 0.58 N ATOM 2734 CA THR B 69 -8.995 -2.163 -14.001 1.00 0.74 C ATOM 2735 C THR B 69 -9.481 -3.551 -14.378 1.00 0.83 C ATOM 2736 O THR B 69 -9.250 -4.041 -15.486 1.00 0.99 O ATOM 2737 CB THR B 69 -7.485 -2.153 -13.739 1.00 0.79 C ATOM 2738 OG1 THR B 69 -6.765 -2.138 -14.979 1.00 0.91 O ATOM 2739 CG2 THR B 69 -7.074 -3.363 -12.925 1.00 0.82 C ATOM 0 H THR B 69 -9.186 -1.904 -11.957 1.00 0.58 H new ATOM 0 HA THR B 69 -9.202 -1.493 -14.835 1.00 0.74 H new ATOM 0 HB THR B 69 -7.245 -1.252 -13.174 1.00 0.79 H new ATOM 0 HG1 THR B 69 -5.802 -2.130 -14.798 1.00 0.91 H new ATOM 0 HG21 THR B 69 -5.998 -3.336 -12.751 1.00 0.82 H new ATOM 0 HG22 THR B 69 -7.597 -3.353 -11.969 1.00 0.82 H new ATOM 0 HG23 THR B 69 -7.331 -4.272 -13.469 1.00 0.82 H new ATOM 2747 N ASN B 70 -10.182 -4.170 -13.440 1.00 0.80 N ATOM 2748 CA ASN B 70 -10.808 -5.453 -13.671 1.00 0.94 C ATOM 2749 C ASN B 70 -12.071 -5.246 -14.489 1.00 0.86 C ATOM 2750 O ASN B 70 -12.615 -6.174 -15.087 1.00 0.98 O ATOM 2751 CB ASN B 70 -11.151 -6.091 -12.328 1.00 1.00 C ATOM 2752 CG ASN B 70 -11.515 -7.559 -12.434 1.00 1.25 C ATOM 2753 OD1 ASN B 70 -12.672 -7.908 -12.668 1.00 1.46 O ATOM 2754 ND2 ASN B 70 -10.538 -8.429 -12.236 1.00 1.66 N ATOM 0 H ASN B 70 -10.330 -3.795 -12.503 1.00 0.80 H new ATOM 0 HA ASN B 70 -10.131 -6.111 -14.216 1.00 0.94 H new ATOM 0 HB2 ASN B 70 -10.300 -5.983 -11.655 1.00 1.00 H new ATOM 0 HB3 ASN B 70 -11.984 -5.549 -11.879 1.00 1.00 H new ATOM 0 HD21 ASN B 70 -10.731 -9.430 -12.275 1.00 1.66 H new ATOM 0 HD22 ASN B 70 -9.592 -8.099 -12.045 1.00 1.66 H new ATOM 2761 N SER B 71 -12.490 -3.981 -14.523 1.00 0.70 N ATOM 2762 CA SER B 71 -13.656 -3.538 -15.266 1.00 0.66 C ATOM 2763 C SER B 71 -14.900 -4.278 -14.806 1.00 0.61 C ATOM 2764 O SER B 71 -15.772 -4.619 -15.603 1.00 0.66 O ATOM 2765 CB SER B 71 -13.433 -3.716 -16.768 1.00 0.82 C ATOM 2766 OG SER B 71 -12.252 -3.047 -17.187 1.00 1.48 O ATOM 0 H SER B 71 -12.017 -3.227 -14.025 1.00 0.70 H new ATOM 0 HA SER B 71 -13.808 -2.477 -15.070 1.00 0.66 H new ATOM 0 HB2 SER B 71 -13.359 -4.777 -17.006 1.00 0.82 H new ATOM 0 HB3 SER B 71 -14.291 -3.326 -17.316 1.00 0.82 H new ATOM 0 HG SER B 71 -12.128 -3.175 -18.151 1.00 1.48 H new ATOM 2772 N ASP B 72 -14.975 -4.505 -13.507 1.00 0.58 N ATOM 2773 CA ASP B 72 -16.078 -5.246 -12.928 1.00 0.65 C ATOM 2774 C ASP B 72 -17.007 -4.294 -12.192 1.00 0.56 C ATOM 2775 O ASP B 72 -18.165 -4.612 -11.933 1.00 0.66 O ATOM 2776 CB ASP B 72 -15.548 -6.317 -11.972 1.00 0.80 C ATOM 2777 CG ASP B 72 -16.618 -7.299 -11.533 1.00 0.92 C ATOM 2778 OD1 ASP B 72 -16.850 -8.295 -12.255 1.00 1.56 O ATOM 2779 OD2 ASP B 72 -17.217 -7.100 -10.459 1.00 1.53 O ATOM 0 H ASP B 72 -14.281 -4.185 -12.831 1.00 0.58 H new ATOM 0 HA ASP B 72 -16.636 -5.738 -13.725 1.00 0.65 H new ATOM 0 HB2 ASP B 72 -14.739 -6.862 -12.458 1.00 0.80 H new ATOM 0 HB3 ASP B 72 -15.123 -5.833 -11.092 1.00 0.80 H new ATOM 2784 N GLY B 73 -16.500 -3.108 -11.886 1.00 0.45 N ATOM 2785 CA GLY B 73 -17.288 -2.135 -11.153 1.00 0.46 C ATOM 2786 C GLY B 73 -17.026 -2.232 -9.672 1.00 0.41 C ATOM 2787 O GLY B 73 -17.750 -1.661 -8.854 1.00 0.44 O ATOM 0 H GLY B 73 -15.559 -2.801 -12.131 1.00 0.45 H new ATOM 0 HA2 GLY B 73 -17.049 -1.131 -11.503 1.00 0.46 H new ATOM 0 HA3 GLY B 73 -18.348 -2.298 -11.350 1.00 0.46 H new ATOM 2791 N GLN B 74 -15.988 -2.977 -9.340 1.00 0.38 N ATOM 2792 CA GLN B 74 -15.548 -3.152 -7.975 1.00 0.37 C ATOM 2793 C GLN B 74 -14.045 -3.006 -7.944 1.00 0.36 C ATOM 2794 O GLN B 74 -13.394 -3.038 -8.987 1.00 0.39 O ATOM 2795 CB GLN B 74 -15.905 -4.542 -7.457 1.00 0.38 C ATOM 2796 CG GLN B 74 -17.367 -4.905 -7.569 1.00 0.41 C ATOM 2797 CD GLN B 74 -17.660 -6.275 -7.000 1.00 0.49 C ATOM 2798 OE1 GLN B 74 -17.948 -6.415 -5.817 1.00 1.02 O ATOM 2799 NE2 GLN B 74 -17.585 -7.294 -7.837 1.00 1.25 N ATOM 0 H GLN B 74 -15.422 -3.482 -10.022 1.00 0.38 H new ATOM 0 HA GLN B 74 -16.038 -2.408 -7.347 1.00 0.37 H new ATOM 0 HB2 GLN B 74 -15.319 -5.280 -8.005 1.00 0.38 H new ATOM 0 HB3 GLN B 74 -15.607 -4.612 -6.411 1.00 0.38 H new ATOM 0 HG2 GLN B 74 -17.966 -4.160 -7.045 1.00 0.41 H new ATOM 0 HG3 GLN B 74 -17.668 -4.876 -8.616 1.00 0.41 H new ATOM 0 HE21 GLN B 74 -17.342 -7.134 -8.815 1.00 1.25 H new ATOM 0 HE22 GLN B 74 -17.770 -8.241 -7.506 1.00 1.25 H new ATOM 2808 N LEU B 75 -13.489 -2.869 -6.766 1.00 0.33 N ATOM 2809 CA LEU B 75 -12.051 -2.795 -6.637 1.00 0.31 C ATOM 2810 C LEU B 75 -11.525 -3.973 -5.874 1.00 0.32 C ATOM 2811 O LEU B 75 -11.846 -4.167 -4.706 1.00 0.32 O ATOM 2812 CB LEU B 75 -11.624 -1.511 -5.957 1.00 0.31 C ATOM 2813 CG LEU B 75 -12.064 -0.248 -6.680 1.00 0.32 C ATOM 2814 CD1 LEU B 75 -11.554 0.979 -5.959 1.00 0.35 C ATOM 2815 CD2 LEU B 75 -11.575 -0.272 -8.121 1.00 0.35 C ATOM 0 H LEU B 75 -14.004 -2.807 -5.888 1.00 0.33 H new ATOM 0 HA LEU B 75 -11.632 -2.807 -7.643 1.00 0.31 H new ATOM 0 HB2 LEU B 75 -12.029 -1.497 -4.945 1.00 0.31 H new ATOM 0 HB3 LEU B 75 -10.538 -1.505 -5.866 1.00 0.31 H new ATOM 0 HG LEU B 75 -13.153 -0.208 -6.686 1.00 0.32 H new ATOM 0 HD11 LEU B 75 -11.878 1.874 -6.490 1.00 0.35 H new ATOM 0 HD12 LEU B 75 -11.951 0.996 -4.944 1.00 0.35 H new ATOM 0 HD13 LEU B 75 -10.465 0.953 -5.923 1.00 0.35 H new ATOM 0 HD21 LEU B 75 -11.896 0.637 -8.629 1.00 0.35 H new ATOM 0 HD22 LEU B 75 -10.487 -0.331 -8.135 1.00 0.35 H new ATOM 0 HD23 LEU B 75 -11.992 -1.140 -8.632 1.00 0.35 H new ATOM 2827 N ASP B 76 -10.720 -4.758 -6.544 1.00 0.35 N ATOM 2828 CA ASP B 76 -10.117 -5.909 -5.921 1.00 0.36 C ATOM 2829 C ASP B 76 -8.908 -5.478 -5.126 1.00 0.33 C ATOM 2830 O ASP B 76 -8.650 -4.285 -4.973 1.00 0.32 O ATOM 2831 CB ASP B 76 -9.789 -6.979 -6.970 1.00 0.44 C ATOM 2832 CG ASP B 76 -8.373 -6.952 -7.533 1.00 0.91 C ATOM 2833 OD1 ASP B 76 -7.740 -5.883 -7.557 1.00 1.44 O ATOM 2834 OD2 ASP B 76 -7.892 -8.025 -7.967 1.00 1.68 O ATOM 0 H ASP B 76 -10.467 -4.621 -7.522 1.00 0.35 H new ATOM 0 HA ASP B 76 -10.821 -6.365 -5.225 1.00 0.36 H new ATOM 0 HB2 ASP B 76 -9.964 -7.959 -6.527 1.00 0.44 H new ATOM 0 HB3 ASP B 76 -10.490 -6.874 -7.798 1.00 0.44 H new ATOM 2839 N PHE B 77 -8.192 -6.436 -4.604 1.00 0.40 N ATOM 2840 CA PHE B 77 -7.077 -6.158 -3.737 1.00 0.49 C ATOM 2841 C PHE B 77 -6.025 -5.282 -4.410 1.00 0.39 C ATOM 2842 O PHE B 77 -5.577 -4.297 -3.832 1.00 0.38 O ATOM 2843 CB PHE B 77 -6.507 -7.472 -3.230 1.00 0.72 C ATOM 2844 CG PHE B 77 -6.215 -8.510 -4.278 1.00 1.75 C ATOM 2845 CD1 PHE B 77 -7.221 -9.333 -4.755 1.00 2.66 C ATOM 2846 CD2 PHE B 77 -4.932 -8.681 -4.763 1.00 2.56 C ATOM 2847 CE1 PHE B 77 -6.952 -10.303 -5.698 1.00 3.77 C ATOM 2848 CE2 PHE B 77 -4.657 -9.647 -5.709 1.00 3.67 C ATOM 2849 CZ PHE B 77 -5.669 -10.460 -6.176 1.00 4.14 C ATOM 0 H PHE B 77 -8.363 -7.428 -4.766 1.00 0.40 H new ATOM 0 HA PHE B 77 -7.426 -5.576 -2.884 1.00 0.49 H new ATOM 0 HB2 PHE B 77 -5.585 -7.261 -2.689 1.00 0.72 H new ATOM 0 HB3 PHE B 77 -7.208 -7.897 -2.511 1.00 0.72 H new ATOM 0 HD1 PHE B 77 -8.228 -9.214 -4.384 1.00 2.66 H new ATOM 0 HD2 PHE B 77 -4.135 -8.051 -4.397 1.00 2.56 H new ATOM 0 HE1 PHE B 77 -7.746 -10.939 -6.061 1.00 3.77 H new ATOM 0 HE2 PHE B 77 -3.651 -9.766 -6.083 1.00 3.67 H new ATOM 0 HZ PHE B 77 -5.456 -11.218 -6.915 1.00 4.14 H new ATOM 2859 N SER B 78 -5.665 -5.617 -5.633 1.00 0.38 N ATOM 2860 CA SER B 78 -4.728 -4.812 -6.401 1.00 0.38 C ATOM 2861 C SER B 78 -5.328 -3.453 -6.748 1.00 0.38 C ATOM 2862 O SER B 78 -4.633 -2.436 -6.754 1.00 0.44 O ATOM 2863 CB SER B 78 -4.331 -5.556 -7.673 1.00 0.44 C ATOM 2864 OG SER B 78 -5.257 -6.586 -7.970 1.00 1.32 O ATOM 0 H SER B 78 -6.008 -6.445 -6.121 1.00 0.38 H new ATOM 0 HA SER B 78 -3.840 -4.641 -5.792 1.00 0.38 H new ATOM 0 HB2 SER B 78 -4.281 -4.856 -8.507 1.00 0.44 H new ATOM 0 HB3 SER B 78 -3.335 -5.982 -7.553 1.00 0.44 H new ATOM 0 HG SER B 78 -6.132 -6.192 -8.170 1.00 1.32 H new ATOM 2870 N GLU B 79 -6.625 -3.438 -7.011 1.00 0.36 N ATOM 2871 CA GLU B 79 -7.320 -2.216 -7.389 1.00 0.42 C ATOM 2872 C GLU B 79 -7.374 -1.252 -6.209 1.00 0.33 C ATOM 2873 O GLU B 79 -7.119 -0.053 -6.348 1.00 0.33 O ATOM 2874 CB GLU B 79 -8.732 -2.543 -7.872 1.00 0.51 C ATOM 2875 CG GLU B 79 -8.843 -2.817 -9.366 1.00 0.64 C ATOM 2876 CD GLU B 79 -8.019 -3.993 -9.846 1.00 1.81 C ATOM 2877 OE1 GLU B 79 -6.773 -3.896 -9.851 1.00 2.54 O ATOM 2878 OE2 GLU B 79 -8.620 -5.007 -10.257 1.00 2.57 O ATOM 0 H GLU B 79 -7.222 -4.264 -6.969 1.00 0.36 H new ATOM 0 HA GLU B 79 -6.773 -1.739 -8.202 1.00 0.42 H new ATOM 0 HB2 GLU B 79 -9.095 -3.415 -7.328 1.00 0.51 H new ATOM 0 HB3 GLU B 79 -9.390 -1.712 -7.618 1.00 0.51 H new ATOM 0 HG2 GLU B 79 -9.889 -2.996 -9.614 1.00 0.64 H new ATOM 0 HG3 GLU B 79 -8.534 -1.925 -9.911 1.00 0.64 H new ATOM 2885 N PHE B 80 -7.690 -1.799 -5.049 1.00 0.28 N ATOM 2886 CA PHE B 80 -7.715 -1.047 -3.804 1.00 0.25 C ATOM 2887 C PHE B 80 -6.328 -0.518 -3.470 1.00 0.23 C ATOM 2888 O PHE B 80 -6.175 0.582 -2.948 1.00 0.26 O ATOM 2889 CB PHE B 80 -8.207 -1.953 -2.679 1.00 0.31 C ATOM 2890 CG PHE B 80 -8.094 -1.347 -1.315 1.00 0.71 C ATOM 2891 CD1 PHE B 80 -8.899 -0.287 -0.946 1.00 1.26 C ATOM 2892 CD2 PHE B 80 -7.178 -1.843 -0.403 1.00 1.60 C ATOM 2893 CE1 PHE B 80 -8.791 0.269 0.309 1.00 1.56 C ATOM 2894 CE2 PHE B 80 -7.067 -1.290 0.855 1.00 1.98 C ATOM 2895 CZ PHE B 80 -7.875 -0.232 1.211 1.00 1.64 C ATOM 0 H PHE B 80 -7.938 -2.783 -4.942 1.00 0.28 H new ATOM 0 HA PHE B 80 -8.390 -0.198 -3.916 1.00 0.25 H new ATOM 0 HB2 PHE B 80 -9.249 -2.212 -2.865 1.00 0.31 H new ATOM 0 HB3 PHE B 80 -7.639 -2.883 -2.700 1.00 0.31 H new ATOM 0 HD1 PHE B 80 -9.619 0.109 -1.647 1.00 1.26 H new ATOM 0 HD2 PHE B 80 -6.544 -2.672 -0.680 1.00 1.60 H new ATOM 0 HE1 PHE B 80 -9.424 1.098 0.588 1.00 1.56 H new ATOM 0 HE2 PHE B 80 -6.349 -1.685 1.559 1.00 1.98 H new ATOM 0 HZ PHE B 80 -7.791 0.205 2.195 1.00 1.64 H new ATOM 2905 N LEU B 81 -5.319 -1.308 -3.776 1.00 0.25 N ATOM 2906 CA LEU B 81 -3.952 -0.933 -3.472 1.00 0.26 C ATOM 2907 C LEU B 81 -3.422 0.082 -4.463 1.00 0.26 C ATOM 2908 O LEU B 81 -2.493 0.822 -4.158 1.00 0.27 O ATOM 2909 CB LEU B 81 -3.070 -2.161 -3.449 1.00 0.29 C ATOM 2910 CG LEU B 81 -3.382 -3.130 -2.312 1.00 0.28 C ATOM 2911 CD1 LEU B 81 -2.542 -4.376 -2.452 1.00 0.33 C ATOM 2912 CD2 LEU B 81 -3.171 -2.470 -0.946 1.00 0.29 C ATOM 0 H LEU B 81 -5.419 -2.213 -4.235 1.00 0.25 H new ATOM 0 HA LEU B 81 -3.941 -0.468 -2.486 1.00 0.26 H new ATOM 0 HB2 LEU B 81 -3.172 -2.687 -4.398 1.00 0.29 H new ATOM 0 HB3 LEU B 81 -2.029 -1.847 -3.369 1.00 0.29 H new ATOM 0 HG LEU B 81 -4.433 -3.411 -2.375 1.00 0.28 H new ATOM 0 HD11 LEU B 81 -2.771 -5.062 -1.637 1.00 0.33 H new ATOM 0 HD12 LEU B 81 -2.762 -4.858 -3.405 1.00 0.33 H new ATOM 0 HD13 LEU B 81 -1.486 -4.109 -2.416 1.00 0.33 H new ATOM 0 HD21 LEU B 81 -3.401 -3.186 -0.157 1.00 0.29 H new ATOM 0 HD22 LEU B 81 -2.133 -2.149 -0.853 1.00 0.29 H new ATOM 0 HD23 LEU B 81 -3.828 -1.605 -0.855 1.00 0.29 H new ATOM 2924 N ASN B 82 -4.009 0.118 -5.648 1.00 0.26 N ATOM 2925 CA ASN B 82 -3.695 1.166 -6.601 1.00 0.26 C ATOM 2926 C ASN B 82 -4.199 2.490 -6.056 1.00 0.23 C ATOM 2927 O ASN B 82 -3.599 3.545 -6.259 1.00 0.24 O ATOM 2928 CB ASN B 82 -4.328 0.878 -7.963 1.00 0.30 C ATOM 2929 CG ASN B 82 -3.391 0.140 -8.903 1.00 0.78 C ATOM 2930 OD1 ASN B 82 -2.634 0.758 -9.653 1.00 1.50 O ATOM 2931 ND2 ASN B 82 -3.428 -1.182 -8.867 1.00 1.42 N ATOM 0 H ASN B 82 -4.699 -0.560 -5.970 1.00 0.26 H new ATOM 0 HA ASN B 82 -2.615 1.209 -6.742 1.00 0.26 H new ATOM 0 HB2 ASN B 82 -5.232 0.287 -7.820 1.00 0.30 H new ATOM 0 HB3 ASN B 82 -4.631 1.818 -8.424 1.00 0.30 H new ATOM 0 HD21 ASN B 82 -2.815 -1.726 -9.474 1.00 1.42 H new ATOM 0 HD22 ASN B 82 -4.069 -1.657 -8.232 1.00 1.42 H new ATOM 2938 N LEU B 83 -5.319 2.409 -5.358 1.00 0.23 N ATOM 2939 CA LEU B 83 -5.848 3.528 -4.606 1.00 0.24 C ATOM 2940 C LEU B 83 -4.896 3.919 -3.491 1.00 0.23 C ATOM 2941 O LEU B 83 -4.474 5.071 -3.393 1.00 0.25 O ATOM 2942 CB LEU B 83 -7.182 3.149 -3.991 1.00 0.27 C ATOM 2943 CG LEU B 83 -7.558 3.975 -2.774 1.00 0.31 C ATOM 2944 CD1 LEU B 83 -7.938 5.388 -3.191 1.00 0.35 C ATOM 2945 CD2 LEU B 83 -8.671 3.301 -1.997 1.00 0.36 C ATOM 0 H LEU B 83 -5.886 1.563 -5.298 1.00 0.23 H new ATOM 0 HA LEU B 83 -5.973 4.369 -5.289 1.00 0.24 H new ATOM 0 HB2 LEU B 83 -7.962 3.256 -4.745 1.00 0.27 H new ATOM 0 HB3 LEU B 83 -7.154 2.097 -3.709 1.00 0.27 H new ATOM 0 HG LEU B 83 -6.694 4.046 -2.113 1.00 0.31 H new ATOM 0 HD11 LEU B 83 -8.205 5.969 -2.308 1.00 0.35 H new ATOM 0 HD12 LEU B 83 -7.093 5.859 -3.693 1.00 0.35 H new ATOM 0 HD13 LEU B 83 -8.789 5.350 -3.871 1.00 0.35 H new ATOM 0 HD21 LEU B 83 -8.927 3.907 -1.128 1.00 0.36 H new ATOM 0 HD22 LEU B 83 -9.548 3.194 -2.636 1.00 0.36 H new ATOM 0 HD23 LEU B 83 -8.340 2.316 -1.667 1.00 0.36 H new ATOM 2957 N ILE B 84 -4.591 2.942 -2.643 1.00 0.24 N ATOM 2958 CA ILE B 84 -3.681 3.133 -1.526 1.00 0.26 C ATOM 2959 C ILE B 84 -2.373 3.746 -2.009 1.00 0.27 C ATOM 2960 O ILE B 84 -1.768 4.573 -1.325 1.00 0.29 O ATOM 2961 CB ILE B 84 -3.418 1.791 -0.808 1.00 0.29 C ATOM 2962 CG1 ILE B 84 -4.710 1.263 -0.176 1.00 0.55 C ATOM 2963 CG2 ILE B 84 -2.319 1.925 0.240 1.00 0.47 C ATOM 2964 CD1 ILE B 84 -5.389 2.250 0.747 1.00 0.62 C ATOM 0 H ILE B 84 -4.969 1.997 -2.713 1.00 0.24 H new ATOM 0 HA ILE B 84 -4.143 3.818 -0.815 1.00 0.26 H new ATOM 0 HB ILE B 84 -3.075 1.073 -1.553 1.00 0.29 H new ATOM 0 HG12 ILE B 84 -5.404 0.986 -0.969 1.00 0.55 H new ATOM 0 HG13 ILE B 84 -4.485 0.354 0.382 1.00 0.55 H new ATOM 0 HG21 ILE B 84 -2.160 0.962 0.726 1.00 0.47 H new ATOM 0 HG22 ILE B 84 -1.395 2.246 -0.241 1.00 0.47 H new ATOM 0 HG23 ILE B 84 -2.615 2.663 0.986 1.00 0.47 H new ATOM 0 HD11 ILE B 84 -6.296 1.803 1.155 1.00 0.62 H new ATOM 0 HD12 ILE B 84 -4.714 2.509 1.563 1.00 0.62 H new ATOM 0 HD13 ILE B 84 -5.648 3.151 0.190 1.00 0.62 H new ATOM 2976 N GLY B 85 -1.971 3.356 -3.211 1.00 0.26 N ATOM 2977 CA GLY B 85 -0.824 3.944 -3.842 1.00 0.29 C ATOM 2978 C GLY B 85 -1.021 5.421 -4.068 1.00 0.28 C ATOM 2979 O GLY B 85 -0.233 6.219 -3.591 1.00 0.32 O ATOM 0 H GLY B 85 -2.432 2.631 -3.761 1.00 0.26 H new ATOM 0 HA2 GLY B 85 0.058 3.783 -3.221 1.00 0.29 H new ATOM 0 HA3 GLY B 85 -0.637 3.450 -4.795 1.00 0.29 H new ATOM 2983 N GLY B 86 -2.122 5.793 -4.717 1.00 0.27 N ATOM 2984 CA GLY B 86 -2.322 7.182 -5.097 1.00 0.30 C ATOM 2985 C GLY B 86 -2.501 8.062 -3.888 1.00 0.29 C ATOM 2986 O GLY B 86 -2.153 9.245 -3.894 1.00 0.34 O ATOM 0 H GLY B 86 -2.876 5.161 -4.986 1.00 0.27 H new ATOM 0 HA2 GLY B 86 -1.467 7.529 -5.678 1.00 0.30 H new ATOM 0 HA3 GLY B 86 -3.198 7.262 -5.740 1.00 0.30 H new ATOM 2990 N LEU B 87 -3.042 7.464 -2.847 1.00 0.25 N ATOM 2991 CA LEU B 87 -3.198 8.117 -1.564 1.00 0.25 C ATOM 2992 C LEU B 87 -1.838 8.388 -0.950 1.00 0.26 C ATOM 2993 O LEU B 87 -1.466 9.538 -0.710 1.00 0.29 O ATOM 2994 CB LEU B 87 -3.991 7.212 -0.634 1.00 0.25 C ATOM 2995 CG LEU B 87 -5.493 7.133 -0.886 1.00 0.26 C ATOM 2996 CD1 LEU B 87 -6.082 5.978 -0.103 1.00 0.26 C ATOM 2997 CD2 LEU B 87 -6.172 8.436 -0.490 1.00 0.35 C ATOM 0 H LEU B 87 -3.388 6.505 -2.868 1.00 0.25 H new ATOM 0 HA LEU B 87 -3.724 9.061 -1.706 1.00 0.25 H new ATOM 0 HB2 LEU B 87 -3.579 6.205 -0.703 1.00 0.25 H new ATOM 0 HB3 LEU B 87 -3.833 7.551 0.390 1.00 0.25 H new ATOM 0 HG LEU B 87 -5.662 6.969 -1.950 1.00 0.26 H new ATOM 0 HD11 LEU B 87 -7.155 5.925 -0.285 1.00 0.26 H new ATOM 0 HD12 LEU B 87 -5.613 5.047 -0.420 1.00 0.26 H new ATOM 0 HD13 LEU B 87 -5.902 6.131 0.961 1.00 0.26 H new ATOM 0 HD21 LEU B 87 -7.243 8.360 -0.677 1.00 0.35 H new ATOM 0 HD22 LEU B 87 -6.002 8.628 0.569 1.00 0.35 H new ATOM 0 HD23 LEU B 87 -5.758 9.255 -1.078 1.00 0.35 H new ATOM 3009 N ALA B 88 -1.094 7.311 -0.724 1.00 0.25 N ATOM 3010 CA ALA B 88 0.222 7.387 -0.110 1.00 0.27 C ATOM 3011 C ALA B 88 1.130 8.300 -0.890 1.00 0.29 C ATOM 3012 O ALA B 88 1.922 9.046 -0.328 1.00 0.35 O ATOM 3013 CB ALA B 88 0.860 6.023 -0.069 1.00 0.26 C ATOM 0 H ALA B 88 -1.387 6.363 -0.962 1.00 0.25 H new ATOM 0 HA ALA B 88 0.087 7.775 0.900 1.00 0.27 H new ATOM 0 HB1 ALA B 88 1.844 6.096 0.393 1.00 0.26 H new ATOM 0 HB2 ALA B 88 0.235 5.346 0.513 1.00 0.26 H new ATOM 0 HB3 ALA B 88 0.963 5.639 -1.084 1.00 0.26 H new ATOM 3019 N MET B 89 1.015 8.201 -2.196 1.00 0.29 N ATOM 3020 CA MET B 89 1.818 8.978 -3.106 1.00 0.32 C ATOM 3021 C MET B 89 1.608 10.458 -2.879 1.00 0.34 C ATOM 3022 O MET B 89 2.566 11.225 -2.816 1.00 0.39 O ATOM 3023 CB MET B 89 1.464 8.611 -4.539 1.00 0.34 C ATOM 3024 CG MET B 89 1.991 7.253 -4.954 1.00 0.42 C ATOM 3025 SD MET B 89 1.580 6.840 -6.664 1.00 1.03 S ATOM 3026 CE MET B 89 2.153 8.301 -7.532 1.00 1.89 C ATOM 0 H MET B 89 0.356 7.574 -2.657 1.00 0.29 H new ATOM 0 HA MET B 89 2.869 8.754 -2.924 1.00 0.32 H new ATOM 0 HB2 MET B 89 0.380 8.624 -4.653 1.00 0.34 H new ATOM 0 HB3 MET B 89 1.864 9.370 -5.211 1.00 0.34 H new ATOM 0 HG2 MET B 89 3.074 7.234 -4.830 1.00 0.42 H new ATOM 0 HG3 MET B 89 1.581 6.491 -4.292 1.00 0.42 H new ATOM 0 HE1 MET B 89 2.214 8.090 -8.600 1.00 1.89 H new ATOM 0 HE2 MET B 89 1.455 9.121 -7.364 1.00 1.89 H new ATOM 0 HE3 MET B 89 3.139 8.581 -7.161 1.00 1.89 H new ATOM 3036 N ALA B 90 0.354 10.844 -2.716 1.00 0.34 N ATOM 3037 CA ALA B 90 0.008 12.235 -2.502 1.00 0.39 C ATOM 3038 C ALA B 90 0.460 12.684 -1.120 1.00 0.42 C ATOM 3039 O ALA B 90 0.880 13.821 -0.930 1.00 0.49 O ATOM 3040 CB ALA B 90 -1.490 12.426 -2.668 1.00 0.46 C ATOM 0 H ALA B 90 -0.444 10.208 -2.728 1.00 0.34 H new ATOM 0 HA ALA B 90 0.520 12.848 -3.243 1.00 0.39 H new ATOM 0 HB1 ALA B 90 -1.743 13.474 -2.506 1.00 0.46 H new ATOM 0 HB2 ALA B 90 -1.785 12.133 -3.676 1.00 0.46 H new ATOM 0 HB3 ALA B 90 -2.018 11.808 -1.942 1.00 0.46 H new ATOM 3046 N CYS B 91 0.392 11.766 -0.166 1.00 0.41 N ATOM 3047 CA CYS B 91 0.777 12.052 1.208 1.00 0.47 C ATOM 3048 C CYS B 91 2.297 12.185 1.342 1.00 0.44 C ATOM 3049 O CYS B 91 2.789 13.089 2.020 1.00 0.51 O ATOM 3050 CB CYS B 91 0.239 10.958 2.133 1.00 0.55 C ATOM 3051 SG CYS B 91 -1.555 10.748 2.050 1.00 1.76 S ATOM 0 H CYS B 91 0.071 10.810 -0.321 1.00 0.41 H new ATOM 0 HA CYS B 91 0.341 13.007 1.500 1.00 0.47 H new ATOM 0 HB2 CYS B 91 0.718 10.012 1.879 1.00 0.55 H new ATOM 0 HB3 CYS B 91 0.521 11.192 3.160 1.00 0.55 H new ATOM 0 HG CYS B 91 -1.877 10.215 0.909 1.00 1.76 H new ATOM 3057 N HIS B 92 3.041 11.292 0.692 1.00 0.41 N ATOM 3058 CA HIS B 92 4.499 11.376 0.686 1.00 0.46 C ATOM 3059 C HIS B 92 4.925 12.593 -0.108 1.00 0.45 C ATOM 3060 O HIS B 92 5.868 13.282 0.261 1.00 0.49 O ATOM 3061 CB HIS B 92 5.136 10.110 0.090 1.00 0.54 C ATOM 3062 CG HIS B 92 6.641 10.085 0.181 1.00 1.21 C ATOM 3063 ND1 HIS B 92 7.320 9.763 1.339 1.00 2.12 N ATOM 3064 CD2 HIS B 92 7.597 10.344 -0.748 1.00 1.96 C ATOM 3065 CE1 HIS B 92 8.622 9.827 1.121 1.00 2.74 C ATOM 3066 NE2 HIS B 92 8.817 10.174 -0.135 1.00 2.62 N ATOM 0 H HIS B 92 2.660 10.506 0.165 1.00 0.41 H new ATOM 0 HA HIS B 92 4.843 11.464 1.717 1.00 0.46 H new ATOM 0 HB2 HIS B 92 4.736 9.236 0.605 1.00 0.54 H new ATOM 0 HB3 HIS B 92 4.843 10.025 -0.957 1.00 0.54 H new ATOM 0 HD2 HIS B 92 7.431 10.630 -1.776 1.00 1.96 H new ATOM 0 HE1 HIS B 92 9.395 9.629 1.849 1.00 2.74 H new ATOM 0 HE2 HIS B 92 9.726 10.297 -0.581 1.00 2.62 H new ATOM 3075 N ASP B 93 4.214 12.851 -1.196 1.00 0.45 N ATOM 3076 CA ASP B 93 4.456 14.036 -2.001 1.00 0.52 C ATOM 3077 C ASP B 93 4.262 15.282 -1.148 1.00 0.56 C ATOM 3078 O ASP B 93 5.099 16.174 -1.148 1.00 0.65 O ATOM 3079 CB ASP B 93 3.513 14.061 -3.206 1.00 0.54 C ATOM 3080 CG ASP B 93 3.732 15.269 -4.096 1.00 0.92 C ATOM 3081 OD1 ASP B 93 4.640 15.229 -4.946 1.00 1.74 O ATOM 3082 OD2 ASP B 93 2.992 16.265 -3.953 1.00 1.48 O ATOM 0 H ASP B 93 3.463 12.253 -1.541 1.00 0.45 H new ATOM 0 HA ASP B 93 5.482 14.014 -2.369 1.00 0.52 H new ATOM 0 HB2 ASP B 93 3.655 13.153 -3.792 1.00 0.54 H new ATOM 0 HB3 ASP B 93 2.481 14.056 -2.855 1.00 0.54 H new ATOM 3087 N SER B 94 3.171 15.308 -0.390 1.00 0.54 N ATOM 3088 CA SER B 94 2.881 16.410 0.517 1.00 0.60 C ATOM 3089 C SER B 94 3.976 16.550 1.557 1.00 0.63 C ATOM 3090 O SER B 94 4.402 17.647 1.870 1.00 0.70 O ATOM 3091 CB SER B 94 1.551 16.181 1.224 1.00 0.65 C ATOM 3092 OG SER B 94 0.480 16.125 0.296 1.00 1.26 O ATOM 0 H SER B 94 2.467 14.570 -0.387 1.00 0.54 H new ATOM 0 HA SER B 94 2.827 17.324 -0.074 1.00 0.60 H new ATOM 0 HB2 SER B 94 1.593 15.251 1.791 1.00 0.65 H new ATOM 0 HB3 SER B 94 1.374 16.984 1.940 1.00 0.65 H new ATOM 0 HG SER B 94 0.351 15.199 0.001 1.00 1.26 H new ATOM 3098 N PHE B 95 4.420 15.423 2.085 1.00 0.60 N ATOM 3099 CA PHE B 95 5.489 15.394 3.069 1.00 0.67 C ATOM 3100 C PHE B 95 6.747 16.032 2.489 1.00 0.73 C ATOM 3101 O PHE B 95 7.470 16.747 3.174 1.00 0.84 O ATOM 3102 CB PHE B 95 5.753 13.945 3.481 1.00 0.64 C ATOM 3103 CG PHE B 95 6.717 13.791 4.620 1.00 0.78 C ATOM 3104 CD1 PHE B 95 6.394 14.258 5.883 1.00 1.29 C ATOM 3105 CD2 PHE B 95 7.939 13.166 4.433 1.00 1.80 C ATOM 3106 CE1 PHE B 95 7.272 14.107 6.937 1.00 1.76 C ATOM 3107 CE2 PHE B 95 8.821 13.013 5.482 1.00 2.35 C ATOM 3108 CZ PHE B 95 8.488 13.485 6.735 1.00 2.07 C ATOM 0 H PHE B 95 4.051 14.503 1.845 1.00 0.60 H new ATOM 0 HA PHE B 95 5.196 15.964 3.951 1.00 0.67 H new ATOM 0 HB2 PHE B 95 4.806 13.480 3.757 1.00 0.64 H new ATOM 0 HB3 PHE B 95 6.137 13.399 2.619 1.00 0.64 H new ATOM 0 HD1 PHE B 95 5.444 14.746 6.045 1.00 1.29 H new ATOM 0 HD2 PHE B 95 8.204 12.794 3.454 1.00 1.80 H new ATOM 0 HE1 PHE B 95 7.008 14.475 7.918 1.00 1.76 H new ATOM 0 HE2 PHE B 95 9.771 12.524 5.323 1.00 2.35 H new ATOM 0 HZ PHE B 95 9.178 13.368 7.557 1.00 2.07 H new