USER MOD reduce.3.24.130724 H: found=0, std=0, add=1194, rem=0, adj=47 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: B 33 THR OG1 : rot 14:sc= 0.824 USER MOD Set 1.2: B 74 GLN : amide:sc= 0.179 K(o=1,f=-0.55) USER MOD Set 2.1: B 63 MET CE :methyl 142:sc= -0.0366 (180deg=-1.76!) USER MOD Set 2.2: B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: B 24 TYR OH : rot -64:sc= 1.27 USER MOD Set 3.2: B 45 THR OG1 : rot -92:sc= 2.17 USER MOD Set 4.1: A 63 MET CE :methyl 141:sc= -0.0367 (180deg=-1.78!) USER MOD Set 4.2: A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 24 TYR OH : rot -63:sc= 1.25 USER MOD Set 5.2: A 45 THR OG1 : rot -88:sc= 2.17 USER MOD Set 6.1: A 33 THR OG1 : rot 12:sc= 0.813 USER MOD Set 6.2: A 74 GLN : amide:sc= 0.261 K(o=1.1,f=-0.64) USER MOD Set 7.1: A 13 CYS SG : rot 50:sc= -6.59! USER MOD Set 7.2: B 13 CYS SG : rot 60:sc= -6.52! USER MOD Single : A 8 THR OG1 : rot -159:sc= -1.11! USER MOD Single : A 10 THR OG1 : rot -170:sc= 0 USER MOD Single : A 16 SER OG : rot 87:sc= 1.52 USER MOD Single : A 22 GLN : amide:sc= -0.0671 K(o=-0.067,f=-0.77) USER MOD Single : A 23 LYS NZ :NH3+ 179:sc= 2.53 (180deg=2.5) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 1.26 (180deg=1.26) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -177:sc= -8.73! (180deg=-9.14!) USER MOD Single : A 44 ASN : amide:sc= -2.13! C(o=-2.1!,f=-2.5!) USER MOD Single : A 51 THR OG1 : rot 135:sc= 0.431 USER MOD Single : A 52 LYS NZ :NH3+ 171:sc=-0.00213 (180deg=-0.089) USER MOD Single : A 64 MET CE :methyl 165:sc= -0.897 (180deg=-0.932) USER MOD Single : A 65 LYS NZ :NH3+ -170:sc= -0.0181 (180deg=-0.148) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 91:sc= 1.33 USER MOD Single : A 82 ASN : amide:sc= -0.454 X(o=-0.45,f=-0.00049) USER MOD Single : A 89 MET CE :methyl -174:sc=-0.000525 (180deg=-0.0674) USER MOD Single : A 91 CYS SG : rot 140:sc= -0.5 USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 94 SER OG : rot 57:sc= 1.28 USER MOD Single : B 8 THR OG1 : rot -151:sc= -0.982! USER MOD Single : B 10 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 SER OG : rot 79:sc= 1.61 USER MOD Single : B 22 GLN : amide:sc= -0.0742 K(o=-0.074,f=-0.76) USER MOD Single : B 23 LYS NZ :NH3+ 163:sc= 2.56 (180deg=2.29) USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 36 LYS NZ :NH3+ -166:sc= 1.25 (180deg=1.07) USER MOD Single : B 37 THR OG1 : rot 180:sc= 0 USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 43 MET CE :methyl -174:sc= -8.82! (180deg=-8.95!) USER MOD Single : B 44 ASN : amide:sc= -2! C(o=-2!,f=-2.4!) USER MOD Single : B 51 THR OG1 : rot 125:sc= 0.437 USER MOD Single : B 52 LYS NZ :NH3+ 170:sc=-0.00264 (180deg=-0.0807) USER MOD Single : B 64 MET CE :methyl 133:sc= -0.91 (180deg=-0.94) USER MOD Single : B 65 LYS NZ :NH3+ -169:sc= -0.0126 (180deg=-0.154) USER MOD Single : B 69 THR OG1 : rot 180:sc= 0 USER MOD Single : B 70 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : B 71 SER OG : rot 180:sc= 0 USER MOD Single : B 78 SER OG : rot 86:sc= 1.45 USER MOD Single : B 82 ASN : amide:sc= -0.304 X(o=-0.3,f=-0.02) USER MOD Single : B 89 MET CE :methyl -174:sc=-0.000264 (180deg=-0.0706) USER MOD Single : B 91 CYS SG : rot 140:sc= -0.566 USER MOD Single : B 92 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : B 94 SER OG : rot 55:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 93 N PRO A 7 -5.843 9.002 11.713 1.00 0.69 N ATOM 94 CA PRO A 7 -5.709 8.128 10.548 1.00 0.54 C ATOM 95 C PRO A 7 -6.383 6.785 10.774 1.00 0.44 C ATOM 96 O PRO A 7 -6.543 6.337 11.915 1.00 0.56 O ATOM 97 CB PRO A 7 -4.201 7.942 10.451 1.00 0.61 C ATOM 98 CG PRO A 7 -3.779 7.925 11.870 1.00 0.75 C ATOM 99 CD PRO A 7 -4.619 8.981 12.542 1.00 0.82 C ATOM 0 HA PRO A 7 -6.172 8.543 9.652 1.00 0.54 H new ATOM 0 HB2 PRO A 7 -3.940 7.015 9.941 1.00 0.61 H new ATOM 0 HB3 PRO A 7 -3.728 8.754 9.898 1.00 0.61 H new ATOM 0 HG2 PRO A 7 -3.944 6.945 12.319 1.00 0.75 H new ATOM 0 HG3 PRO A 7 -2.716 8.145 11.968 1.00 0.75 H new ATOM 0 HD2 PRO A 7 -4.837 8.725 13.579 1.00 0.82 H new ATOM 0 HD3 PRO A 7 -4.120 9.950 12.551 1.00 0.82 H new ATOM 107 N THR A 8 -6.778 6.147 9.695 1.00 0.34 N ATOM 108 CA THR A 8 -7.404 4.848 9.776 1.00 0.27 C ATOM 109 C THR A 8 -6.410 3.752 9.448 1.00 0.28 C ATOM 110 O THR A 8 -5.234 4.027 9.226 1.00 0.35 O ATOM 111 CB THR A 8 -8.570 4.758 8.803 1.00 0.28 C ATOM 112 OG1 THR A 8 -8.056 4.654 7.473 1.00 0.36 O ATOM 113 CG2 THR A 8 -9.457 5.986 8.936 1.00 0.32 C ATOM 0 H THR A 8 -6.676 6.509 8.747 1.00 0.34 H new ATOM 0 HA THR A 8 -7.765 4.717 10.796 1.00 0.27 H new ATOM 0 HB THR A 8 -9.172 3.878 9.028 1.00 0.28 H new ATOM 0 HG1 THR A 8 -8.747 4.926 6.833 1.00 0.36 H new ATOM 0 HG21 THR A 8 -10.289 5.912 8.235 1.00 0.32 H new ATOM 0 HG22 THR A 8 -9.844 6.047 9.953 1.00 0.32 H new ATOM 0 HG23 THR A 8 -8.875 6.881 8.715 1.00 0.32 H new ATOM 121 N GLU A 9 -6.896 2.527 9.380 1.00 0.28 N ATOM 122 CA GLU A 9 -6.060 1.359 9.122 1.00 0.33 C ATOM 123 C GLU A 9 -5.260 1.508 7.827 1.00 0.36 C ATOM 124 O GLU A 9 -4.060 1.237 7.791 1.00 0.52 O ATOM 125 CB GLU A 9 -6.958 0.132 9.061 1.00 0.40 C ATOM 126 CG GLU A 9 -6.224 -1.177 8.912 1.00 0.56 C ATOM 127 CD GLU A 9 -7.073 -2.342 9.361 1.00 1.73 C ATOM 128 OE1 GLU A 9 -8.179 -2.527 8.809 1.00 2.48 O ATOM 129 OE2 GLU A 9 -6.658 -3.052 10.302 1.00 2.47 O ATOM 0 H GLU A 9 -7.885 2.308 9.502 1.00 0.28 H new ATOM 0 HA GLU A 9 -5.334 1.255 9.928 1.00 0.33 H new ATOM 0 HB2 GLU A 9 -7.561 0.094 9.968 1.00 0.40 H new ATOM 0 HB3 GLU A 9 -7.648 0.244 8.224 1.00 0.40 H new ATOM 0 HG2 GLU A 9 -5.935 -1.317 7.870 1.00 0.56 H new ATOM 0 HG3 GLU A 9 -5.305 -1.149 9.497 1.00 0.56 H new ATOM 136 N THR A 10 -5.919 1.958 6.776 1.00 0.26 N ATOM 137 CA THR A 10 -5.261 2.140 5.491 1.00 0.27 C ATOM 138 C THR A 10 -4.405 3.392 5.486 1.00 0.27 C ATOM 139 O THR A 10 -3.309 3.396 4.936 1.00 0.31 O ATOM 140 CB THR A 10 -6.274 2.186 4.325 1.00 0.27 C ATOM 141 OG1 THR A 10 -5.691 2.798 3.170 1.00 0.40 O ATOM 142 CG2 THR A 10 -7.530 2.936 4.735 1.00 0.25 C ATOM 0 H THR A 10 -6.909 2.205 6.784 1.00 0.26 H new ATOM 0 HA THR A 10 -4.616 1.274 5.342 1.00 0.27 H new ATOM 0 HB THR A 10 -6.546 1.160 4.075 1.00 0.27 H new ATOM 0 HG1 THR A 10 -6.387 2.961 2.500 1.00 0.40 H new ATOM 0 HG21 THR A 10 -8.230 2.957 3.900 1.00 0.25 H new ATOM 0 HG22 THR A 10 -7.993 2.433 5.584 1.00 0.25 H new ATOM 0 HG23 THR A 10 -7.269 3.957 5.015 1.00 0.25 H new ATOM 150 N GLU A 11 -4.875 4.444 6.130 1.00 0.25 N ATOM 151 CA GLU A 11 -4.140 5.694 6.127 1.00 0.27 C ATOM 152 C GLU A 11 -2.860 5.560 6.933 1.00 0.30 C ATOM 153 O GLU A 11 -1.809 6.046 6.529 1.00 0.32 O ATOM 154 CB GLU A 11 -4.997 6.824 6.663 1.00 0.29 C ATOM 155 CG GLU A 11 -6.369 6.862 6.032 1.00 0.41 C ATOM 156 CD GLU A 11 -7.134 8.111 6.390 1.00 1.11 C ATOM 157 OE1 GLU A 11 -7.254 8.404 7.599 1.00 1.85 O ATOM 158 OE2 GLU A 11 -7.608 8.804 5.465 1.00 1.71 O ATOM 0 H GLU A 11 -5.750 4.459 6.655 1.00 0.25 H new ATOM 0 HA GLU A 11 -3.874 5.932 5.097 1.00 0.27 H new ATOM 0 HB2 GLU A 11 -5.101 6.716 7.743 1.00 0.29 H new ATOM 0 HB3 GLU A 11 -4.493 7.774 6.485 1.00 0.29 H new ATOM 0 HG2 GLU A 11 -6.269 6.799 4.948 1.00 0.41 H new ATOM 0 HG3 GLU A 11 -6.937 5.988 6.351 1.00 0.41 H new ATOM 165 N ARG A 12 -2.947 4.864 8.057 1.00 0.35 N ATOM 166 CA ARG A 12 -1.776 4.614 8.881 1.00 0.42 C ATOM 167 C ARG A 12 -0.837 3.652 8.163 1.00 0.43 C ATOM 168 O ARG A 12 0.377 3.698 8.349 1.00 0.47 O ATOM 169 CB ARG A 12 -2.171 4.093 10.278 1.00 0.48 C ATOM 170 CG ARG A 12 -2.861 2.731 10.311 1.00 0.49 C ATOM 171 CD ARG A 12 -1.882 1.597 10.085 1.00 0.56 C ATOM 172 NE ARG A 12 -2.474 0.287 10.346 1.00 1.08 N ATOM 173 CZ ARG A 12 -2.478 -0.308 11.538 1.00 1.35 C ATOM 174 NH1 ARG A 12 -1.917 0.282 12.588 1.00 1.86 N ATOM 175 NH2 ARG A 12 -3.027 -1.507 11.676 1.00 1.95 N ATOM 0 H ARG A 12 -3.813 4.464 8.418 1.00 0.35 H new ATOM 0 HA ARG A 12 -1.250 5.556 9.037 1.00 0.42 H new ATOM 0 HB2 ARG A 12 -1.272 4.038 10.892 1.00 0.48 H new ATOM 0 HB3 ARG A 12 -2.831 4.825 10.744 1.00 0.48 H new ATOM 0 HG2 ARG A 12 -3.355 2.598 11.273 1.00 0.49 H new ATOM 0 HG3 ARG A 12 -3.637 2.698 9.546 1.00 0.49 H new ATOM 0 HD2 ARG A 12 -1.522 1.631 9.057 1.00 0.56 H new ATOM 0 HD3 ARG A 12 -1.015 1.736 10.731 1.00 0.56 H new ATOM 0 HE ARG A 12 -2.912 -0.203 9.566 1.00 1.08 H new ATOM 0 HH11 ARG A 12 -1.479 1.197 12.485 1.00 1.86 H new ATOM 0 HH12 ARG A 12 -1.924 -0.180 13.497 1.00 1.86 H new ATOM 0 HH21 ARG A 12 -3.445 -1.972 10.870 1.00 1.95 H new ATOM 0 HH22 ARG A 12 -3.031 -1.964 12.588 1.00 1.95 H new ATOM 189 N CYS A 13 -1.420 2.786 7.337 1.00 0.42 N ATOM 190 CA CYS A 13 -0.648 1.877 6.503 1.00 0.44 C ATOM 191 C CYS A 13 0.190 2.704 5.552 1.00 0.30 C ATOM 192 O CYS A 13 1.380 2.464 5.350 1.00 0.29 O ATOM 193 CB CYS A 13 -1.594 0.958 5.713 1.00 0.57 C ATOM 194 SG CYS A 13 -1.502 1.165 3.921 1.00 2.16 S ATOM 0 H CYS A 13 -2.430 2.697 7.230 1.00 0.42 H new ATOM 0 HA CYS A 13 -0.004 1.253 7.122 1.00 0.44 H new ATOM 0 HB2 CYS A 13 -1.365 -0.079 5.960 1.00 0.57 H new ATOM 0 HB3 CYS A 13 -2.618 1.144 6.037 1.00 0.57 H new ATOM 0 HG CYS A 13 -0.259 1.118 3.542 1.00 2.16 H new ATOM 200 N ILE A 14 -0.457 3.721 5.027 1.00 0.26 N ATOM 201 CA ILE A 14 0.127 4.616 4.068 1.00 0.24 C ATOM 202 C ILE A 14 1.228 5.464 4.695 1.00 0.21 C ATOM 203 O ILE A 14 2.268 5.703 4.081 1.00 0.23 O ATOM 204 CB ILE A 14 -0.984 5.502 3.491 1.00 0.24 C ATOM 205 CG1 ILE A 14 -1.878 4.669 2.571 1.00 0.25 C ATOM 206 CG2 ILE A 14 -0.408 6.699 2.765 1.00 0.27 C ATOM 207 CD1 ILE A 14 -3.168 5.358 2.209 1.00 0.27 C ATOM 0 H ILE A 14 -1.423 3.949 5.263 1.00 0.26 H new ATOM 0 HA ILE A 14 0.591 4.036 3.270 1.00 0.24 H new ATOM 0 HB ILE A 14 -1.590 5.888 4.311 1.00 0.24 H new ATOM 0 HG12 ILE A 14 -1.330 4.435 1.658 1.00 0.25 H new ATOM 0 HG13 ILE A 14 -2.105 3.721 3.058 1.00 0.25 H new ATOM 0 HG21 ILE A 14 -1.219 7.308 2.367 1.00 0.27 H new ATOM 0 HG22 ILE A 14 0.186 7.294 3.459 1.00 0.27 H new ATOM 0 HG23 ILE A 14 0.225 6.358 1.946 1.00 0.27 H new ATOM 0 HD11 ILE A 14 -3.754 4.712 1.555 1.00 0.27 H new ATOM 0 HD12 ILE A 14 -3.736 5.567 3.116 1.00 0.27 H new ATOM 0 HD13 ILE A 14 -2.949 6.293 1.694 1.00 0.27 H new ATOM 219 N GLU A 15 1.017 5.874 5.935 1.00 0.24 N ATOM 220 CA GLU A 15 1.985 6.693 6.634 1.00 0.28 C ATOM 221 C GLU A 15 3.132 5.819 7.090 1.00 0.30 C ATOM 222 O GLU A 15 4.237 6.293 7.345 1.00 0.34 O ATOM 223 CB GLU A 15 1.343 7.384 7.826 1.00 0.32 C ATOM 224 CG GLU A 15 0.127 8.215 7.461 1.00 0.33 C ATOM 225 CD GLU A 15 -0.468 8.924 8.656 1.00 0.38 C ATOM 226 OE1 GLU A 15 -0.799 8.246 9.650 1.00 1.06 O ATOM 227 OE2 GLU A 15 -0.590 10.167 8.614 1.00 1.26 O ATOM 0 H GLU A 15 0.182 5.651 6.476 1.00 0.24 H new ATOM 0 HA GLU A 15 2.357 7.464 5.959 1.00 0.28 H new ATOM 0 HB2 GLU A 15 1.052 6.631 8.559 1.00 0.32 H new ATOM 0 HB3 GLU A 15 2.082 8.027 8.305 1.00 0.32 H new ATOM 0 HG2 GLU A 15 0.407 8.951 6.708 1.00 0.33 H new ATOM 0 HG3 GLU A 15 -0.628 7.570 7.012 1.00 0.33 H new ATOM 234 N SER A 16 2.854 4.531 7.188 1.00 0.31 N ATOM 235 CA SER A 16 3.883 3.558 7.463 1.00 0.38 C ATOM 236 C SER A 16 4.803 3.444 6.267 1.00 0.29 C ATOM 237 O SER A 16 6.016 3.382 6.415 1.00 0.28 O ATOM 238 CB SER A 16 3.267 2.202 7.804 1.00 0.54 C ATOM 239 OG SER A 16 2.542 2.265 9.018 1.00 0.97 O ATOM 0 H SER A 16 1.919 4.139 7.080 1.00 0.31 H new ATOM 0 HA SER A 16 4.462 3.886 8.326 1.00 0.38 H new ATOM 0 HB2 SER A 16 2.606 1.886 6.997 1.00 0.54 H new ATOM 0 HB3 SER A 16 4.053 1.451 7.884 1.00 0.54 H new ATOM 0 HG SER A 16 1.625 2.560 8.837 1.00 0.97 H new ATOM 245 N LEU A 17 4.208 3.449 5.083 1.00 0.27 N ATOM 246 CA LEU A 17 4.964 3.440 3.844 1.00 0.28 C ATOM 247 C LEU A 17 5.750 4.728 3.717 1.00 0.27 C ATOM 248 O LEU A 17 6.873 4.729 3.232 1.00 0.32 O ATOM 249 CB LEU A 17 4.017 3.273 2.668 1.00 0.29 C ATOM 250 CG LEU A 17 3.088 2.072 2.802 1.00 0.33 C ATOM 251 CD1 LEU A 17 2.075 2.025 1.674 1.00 0.33 C ATOM 252 CD2 LEU A 17 3.903 0.787 2.860 1.00 0.46 C ATOM 0 H LEU A 17 3.196 3.459 4.957 1.00 0.27 H new ATOM 0 HA LEU A 17 5.664 2.604 3.849 1.00 0.28 H new ATOM 0 HB2 LEU A 17 3.417 4.177 2.564 1.00 0.29 H new ATOM 0 HB3 LEU A 17 4.601 3.171 1.753 1.00 0.29 H new ATOM 0 HG LEU A 17 2.529 2.174 3.732 1.00 0.33 H new ATOM 0 HD11 LEU A 17 1.429 1.156 1.801 1.00 0.33 H new ATOM 0 HD12 LEU A 17 1.471 2.932 1.690 1.00 0.33 H new ATOM 0 HD13 LEU A 17 2.596 1.953 0.720 1.00 0.33 H new ATOM 0 HD21 LEU A 17 3.231 -0.066 2.956 1.00 0.46 H new ATOM 0 HD22 LEU A 17 4.489 0.686 1.947 1.00 0.46 H new ATOM 0 HD23 LEU A 17 4.573 0.819 3.719 1.00 0.46 H new ATOM 264 N ILE A 18 5.145 5.820 4.164 1.00 0.27 N ATOM 265 CA ILE A 18 5.836 7.087 4.263 1.00 0.30 C ATOM 266 C ILE A 18 7.062 6.918 5.141 1.00 0.28 C ATOM 267 O ILE A 18 8.172 7.217 4.726 1.00 0.30 O ATOM 268 CB ILE A 18 4.929 8.191 4.859 1.00 0.36 C ATOM 269 CG1 ILE A 18 3.761 8.502 3.918 1.00 0.63 C ATOM 270 CG2 ILE A 18 5.735 9.450 5.147 1.00 0.47 C ATOM 271 CD1 ILE A 18 4.190 9.023 2.567 1.00 1.37 C ATOM 0 H ILE A 18 4.171 5.848 4.464 1.00 0.27 H new ATOM 0 HA ILE A 18 6.123 7.395 3.258 1.00 0.30 H new ATOM 0 HB ILE A 18 4.519 7.823 5.800 1.00 0.36 H new ATOM 0 HG12 ILE A 18 3.169 7.598 3.777 1.00 0.63 H new ATOM 0 HG13 ILE A 18 3.111 9.238 4.391 1.00 0.63 H new ATOM 0 HG21 ILE A 18 5.080 10.214 5.565 1.00 0.47 H new ATOM 0 HG22 ILE A 18 6.526 9.220 5.861 1.00 0.47 H new ATOM 0 HG23 ILE A 18 6.177 9.819 4.221 1.00 0.47 H new ATOM 0 HD11 ILE A 18 3.309 9.220 1.957 1.00 1.37 H new ATOM 0 HD12 ILE A 18 4.756 9.945 2.696 1.00 1.37 H new ATOM 0 HD13 ILE A 18 4.815 8.280 2.072 1.00 1.37 H new ATOM 283 N ALA A 19 6.846 6.392 6.337 1.00 0.25 N ATOM 284 CA ALA A 19 7.911 6.208 7.305 1.00 0.25 C ATOM 285 C ALA A 19 9.034 5.326 6.758 1.00 0.23 C ATOM 286 O ALA A 19 10.189 5.751 6.723 1.00 0.28 O ATOM 287 CB ALA A 19 7.348 5.628 8.591 1.00 0.28 C ATOM 0 H ALA A 19 5.930 6.082 6.661 1.00 0.25 H new ATOM 0 HA ALA A 19 8.346 7.185 7.514 1.00 0.25 H new ATOM 0 HB1 ALA A 19 8.154 5.493 9.313 1.00 0.28 H new ATOM 0 HB2 ALA A 19 6.603 6.310 9.002 1.00 0.28 H new ATOM 0 HB3 ALA A 19 6.882 4.665 8.382 1.00 0.28 H new ATOM 293 N VAL A 20 8.702 4.110 6.318 1.00 0.20 N ATOM 294 CA VAL A 20 9.719 3.200 5.799 1.00 0.22 C ATOM 295 C VAL A 20 10.392 3.762 4.553 1.00 0.23 C ATOM 296 O VAL A 20 11.618 3.696 4.425 1.00 0.27 O ATOM 297 CB VAL A 20 9.193 1.767 5.511 1.00 0.27 C ATOM 298 CG1 VAL A 20 7.861 1.791 4.786 1.00 0.87 C ATOM 299 CG2 VAL A 20 10.211 0.986 4.702 1.00 0.87 C ATOM 0 H VAL A 20 7.752 3.739 6.311 1.00 0.20 H new ATOM 0 HA VAL A 20 10.453 3.114 6.600 1.00 0.22 H new ATOM 0 HB VAL A 20 9.040 1.275 6.471 1.00 0.27 H new ATOM 0 HG11 VAL A 20 7.528 0.769 4.603 1.00 0.87 H new ATOM 0 HG12 VAL A 20 7.123 2.310 5.398 1.00 0.87 H new ATOM 0 HG13 VAL A 20 7.974 2.311 3.835 1.00 0.87 H new ATOM 0 HG21 VAL A 20 9.829 -0.016 4.507 1.00 0.87 H new ATOM 0 HG22 VAL A 20 10.392 1.496 3.756 1.00 0.87 H new ATOM 0 HG23 VAL A 20 11.144 0.917 5.261 1.00 0.87 H new ATOM 309 N PHE A 21 9.610 4.324 3.641 1.00 0.23 N ATOM 310 CA PHE A 21 10.192 4.910 2.439 1.00 0.25 C ATOM 311 C PHE A 21 11.163 6.021 2.814 1.00 0.29 C ATOM 312 O PHE A 21 12.287 6.063 2.336 1.00 0.35 O ATOM 313 CB PHE A 21 9.117 5.470 1.515 1.00 0.26 C ATOM 314 CG PHE A 21 9.677 6.118 0.277 1.00 0.91 C ATOM 315 CD1 PHE A 21 10.115 5.346 -0.788 1.00 1.59 C ATOM 316 CD2 PHE A 21 9.770 7.499 0.180 1.00 1.85 C ATOM 317 CE1 PHE A 21 10.636 5.937 -1.923 1.00 2.17 C ATOM 318 CE2 PHE A 21 10.289 8.095 -0.954 1.00 2.48 C ATOM 319 CZ PHE A 21 10.723 7.313 -2.007 1.00 2.40 C ATOM 0 H PHE A 21 8.594 4.387 3.706 1.00 0.23 H new ATOM 0 HA PHE A 21 10.723 4.118 1.910 1.00 0.25 H new ATOM 0 HB2 PHE A 21 8.443 4.665 1.222 1.00 0.26 H new ATOM 0 HB3 PHE A 21 8.522 6.201 2.062 1.00 0.26 H new ATOM 0 HD1 PHE A 21 10.048 4.270 -0.730 1.00 1.59 H new ATOM 0 HD2 PHE A 21 9.433 8.115 1.000 1.00 1.85 H new ATOM 0 HE1 PHE A 21 10.975 5.323 -2.744 1.00 2.17 H new ATOM 0 HE2 PHE A 21 10.355 9.171 -1.017 1.00 2.48 H new ATOM 0 HZ PHE A 21 11.129 7.776 -2.894 1.00 2.40 H new ATOM 329 N GLN A 22 10.719 6.890 3.702 1.00 0.30 N ATOM 330 CA GLN A 22 11.474 8.066 4.091 1.00 0.37 C ATOM 331 C GLN A 22 12.744 7.693 4.841 1.00 0.36 C ATOM 332 O GLN A 22 13.782 8.325 4.664 1.00 0.44 O ATOM 333 CB GLN A 22 10.581 8.964 4.949 1.00 0.47 C ATOM 334 CG GLN A 22 9.588 9.786 4.146 1.00 1.12 C ATOM 335 CD GLN A 22 10.243 10.859 3.305 1.00 1.98 C ATOM 336 OE1 GLN A 22 11.280 11.405 3.665 1.00 2.68 O ATOM 337 NE2 GLN A 22 9.632 11.175 2.173 1.00 2.66 N ATOM 0 H GLN A 22 9.820 6.800 4.176 1.00 0.30 H new ATOM 0 HA GLN A 22 11.782 8.602 3.193 1.00 0.37 H new ATOM 0 HB2 GLN A 22 10.035 8.345 5.660 1.00 0.47 H new ATOM 0 HB3 GLN A 22 11.210 9.638 5.530 1.00 0.47 H new ATOM 0 HG2 GLN A 22 9.018 9.122 3.496 1.00 1.12 H new ATOM 0 HG3 GLN A 22 8.877 10.252 4.828 1.00 1.12 H new ATOM 0 HE21 GLN A 22 8.770 10.698 1.908 1.00 2.66 H new ATOM 0 HE22 GLN A 22 10.023 11.896 1.566 1.00 2.66 H new ATOM 346 N LYS A 23 12.676 6.650 5.655 1.00 0.35 N ATOM 347 CA LYS A 23 13.818 6.275 6.474 1.00 0.39 C ATOM 348 C LYS A 23 14.904 5.581 5.646 1.00 0.40 C ATOM 349 O LYS A 23 16.092 5.709 5.938 1.00 0.49 O ATOM 350 CB LYS A 23 13.382 5.402 7.663 1.00 0.41 C ATOM 351 CG LYS A 23 12.813 4.059 7.293 1.00 0.42 C ATOM 352 CD LYS A 23 11.987 3.502 8.435 1.00 0.63 C ATOM 353 CE LYS A 23 11.826 2.009 8.303 1.00 0.63 C ATOM 354 NZ LYS A 23 10.712 1.476 9.135 1.00 0.91 N ATOM 0 H LYS A 23 11.854 6.056 5.765 1.00 0.35 H new ATOM 0 HA LYS A 23 14.251 7.193 6.872 1.00 0.39 H new ATOM 0 HB2 LYS A 23 14.242 5.248 8.315 1.00 0.41 H new ATOM 0 HB3 LYS A 23 12.637 5.948 8.241 1.00 0.41 H new ATOM 0 HG2 LYS A 23 12.195 4.152 6.400 1.00 0.42 H new ATOM 0 HG3 LYS A 23 13.621 3.369 7.050 1.00 0.42 H new ATOM 0 HD2 LYS A 23 12.467 3.738 9.385 1.00 0.63 H new ATOM 0 HD3 LYS A 23 11.007 3.978 8.446 1.00 0.63 H new ATOM 0 HE2 LYS A 23 11.646 1.758 7.258 1.00 0.63 H new ATOM 0 HE3 LYS A 23 12.756 1.520 8.592 1.00 0.63 H new ATOM 0 HZ1 LYS A 23 10.634 0.449 8.994 1.00 0.91 H new ATOM 0 HZ2 LYS A 23 10.902 1.675 10.138 1.00 0.91 H new ATOM 0 HZ3 LYS A 23 9.820 1.932 8.855 1.00 0.91 H new ATOM 368 N TYR A 24 14.506 4.834 4.624 1.00 0.36 N ATOM 369 CA TYR A 24 15.478 4.168 3.762 1.00 0.39 C ATOM 370 C TYR A 24 15.920 5.048 2.605 1.00 0.34 C ATOM 371 O TYR A 24 17.113 5.226 2.379 1.00 0.40 O ATOM 372 CB TYR A 24 14.941 2.834 3.264 1.00 0.46 C ATOM 373 CG TYR A 24 15.003 1.778 4.339 1.00 0.86 C ATOM 374 CD1 TYR A 24 16.198 1.126 4.616 1.00 1.52 C ATOM 375 CD2 TYR A 24 13.893 1.467 5.109 1.00 1.67 C ATOM 376 CE1 TYR A 24 16.281 0.187 5.623 1.00 1.83 C ATOM 377 CE2 TYR A 24 13.973 0.537 6.126 1.00 1.99 C ATOM 378 CZ TYR A 24 15.167 -0.101 6.378 1.00 1.72 C ATOM 379 OH TYR A 24 15.250 -1.016 7.401 1.00 2.15 O ATOM 0 H TYR A 24 13.530 4.674 4.373 1.00 0.36 H new ATOM 0 HA TYR A 24 16.363 3.975 4.368 1.00 0.39 H new ATOM 0 HB2 TYR A 24 13.910 2.957 2.932 1.00 0.46 H new ATOM 0 HB3 TYR A 24 15.518 2.508 2.399 1.00 0.46 H new ATOM 0 HD1 TYR A 24 17.077 1.358 4.033 1.00 1.52 H new ATOM 0 HD2 TYR A 24 12.952 1.959 4.910 1.00 1.67 H new ATOM 0 HE1 TYR A 24 17.215 -0.319 5.818 1.00 1.83 H new ATOM 0 HE2 TYR A 24 13.102 0.310 6.722 1.00 1.99 H new ATOM 0 HH TYR A 24 15.479 -1.896 7.035 1.00 2.15 H new ATOM 389 N ALA A 25 14.961 5.609 1.889 1.00 0.29 N ATOM 390 CA ALA A 25 15.255 6.466 0.748 1.00 0.34 C ATOM 391 C ALA A 25 15.914 7.759 1.210 1.00 0.47 C ATOM 392 O ALA A 25 16.522 8.488 0.425 1.00 0.58 O ATOM 393 CB ALA A 25 13.979 6.761 -0.017 1.00 0.37 C ATOM 0 H ALA A 25 13.966 5.487 2.077 1.00 0.29 H new ATOM 0 HA ALA A 25 15.949 5.948 0.086 1.00 0.34 H new ATOM 0 HB1 ALA A 25 14.205 7.402 -0.869 1.00 0.37 H new ATOM 0 HB2 ALA A 25 13.543 5.827 -0.372 1.00 0.37 H new ATOM 0 HB3 ALA A 25 13.270 7.266 0.639 1.00 0.37 H new ATOM 399 N GLY A 26 15.782 8.030 2.501 1.00 0.49 N ATOM 400 CA GLY A 26 16.393 9.202 3.089 1.00 0.64 C ATOM 401 C GLY A 26 17.906 9.107 3.151 1.00 0.75 C ATOM 402 O GLY A 26 18.589 10.097 3.421 1.00 0.96 O ATOM 0 H GLY A 26 15.257 7.451 3.156 1.00 0.49 H new ATOM 0 HA2 GLY A 26 16.112 10.082 2.510 1.00 0.64 H new ATOM 0 HA3 GLY A 26 16.001 9.344 4.096 1.00 0.64 H new ATOM 503 N THR A 33 14.241 8.886 -3.901 1.00 0.67 N ATOM 504 CA THR A 33 14.249 7.542 -4.453 1.00 0.46 C ATOM 505 C THR A 33 15.045 6.608 -3.557 1.00 0.38 C ATOM 506 O THR A 33 16.087 6.980 -3.021 1.00 0.44 O ATOM 507 CB THR A 33 14.858 7.531 -5.871 1.00 0.45 C ATOM 508 OG1 THR A 33 15.277 8.852 -6.241 1.00 0.66 O ATOM 509 CG2 THR A 33 13.866 7.008 -6.901 1.00 0.43 C ATOM 0 HA THR A 33 13.216 7.199 -4.510 1.00 0.46 H new ATOM 0 HB THR A 33 15.719 6.863 -5.853 1.00 0.45 H new ATOM 0 HG1 THR A 33 15.266 9.432 -5.451 1.00 0.66 H new ATOM 0 HG21 THR A 33 14.329 7.014 -7.888 1.00 0.43 H new ATOM 0 HG22 THR A 33 13.576 5.989 -6.643 1.00 0.43 H new ATOM 0 HG23 THR A 33 12.982 7.645 -6.911 1.00 0.43 H new ATOM 517 N LEU A 34 14.525 5.411 -3.392 1.00 0.32 N ATOM 518 CA LEU A 34 15.169 4.372 -2.617 1.00 0.30 C ATOM 519 C LEU A 34 16.106 3.611 -3.528 1.00 0.31 C ATOM 520 O LEU A 34 15.667 2.827 -4.371 1.00 0.34 O ATOM 521 CB LEU A 34 14.073 3.466 -2.051 1.00 0.30 C ATOM 522 CG LEU A 34 14.101 3.226 -0.544 1.00 0.29 C ATOM 523 CD1 LEU A 34 12.732 2.784 -0.048 1.00 0.45 C ATOM 524 CD2 LEU A 34 15.140 2.186 -0.182 1.00 0.28 C ATOM 0 H LEU A 34 13.633 5.128 -3.797 1.00 0.32 H new ATOM 0 HA LEU A 34 15.752 4.778 -1.790 1.00 0.30 H new ATOM 0 HB2 LEU A 34 13.106 3.897 -2.310 1.00 0.30 H new ATOM 0 HB3 LEU A 34 14.136 2.500 -2.552 1.00 0.30 H new ATOM 0 HG LEU A 34 14.367 4.166 -0.060 1.00 0.29 H new ATOM 0 HD11 LEU A 34 12.771 2.618 1.029 1.00 0.45 H new ATOM 0 HD12 LEU A 34 11.997 3.558 -0.269 1.00 0.45 H new ATOM 0 HD13 LEU A 34 12.445 1.859 -0.548 1.00 0.45 H new ATOM 0 HD21 LEU A 34 15.141 2.033 0.897 1.00 0.28 H new ATOM 0 HD22 LEU A 34 14.904 1.247 -0.682 1.00 0.28 H new ATOM 0 HD23 LEU A 34 16.124 2.529 -0.500 1.00 0.28 H new ATOM 536 N SER A 35 17.394 3.877 -3.380 1.00 0.32 N ATOM 537 CA SER A 35 18.394 3.313 -4.262 1.00 0.33 C ATOM 538 C SER A 35 18.405 1.795 -4.141 1.00 0.32 C ATOM 539 O SER A 35 17.920 1.249 -3.151 1.00 0.30 O ATOM 540 CB SER A 35 19.769 3.903 -3.945 1.00 0.37 C ATOM 541 OG SER A 35 20.759 3.444 -4.853 1.00 0.40 O ATOM 0 H SER A 35 17.770 4.484 -2.652 1.00 0.32 H new ATOM 0 HA SER A 35 18.146 3.568 -5.292 1.00 0.33 H new ATOM 0 HB2 SER A 35 19.716 4.991 -3.984 1.00 0.37 H new ATOM 0 HB3 SER A 35 20.055 3.634 -2.928 1.00 0.37 H new ATOM 0 HG SER A 35 21.624 3.842 -4.622 1.00 0.40 H new ATOM 547 N LYS A 36 18.949 1.122 -5.149 1.00 0.38 N ATOM 548 CA LYS A 36 18.915 -0.333 -5.206 1.00 0.42 C ATOM 549 C LYS A 36 19.398 -0.946 -3.895 1.00 0.36 C ATOM 550 O LYS A 36 18.660 -1.687 -3.256 1.00 0.35 O ATOM 551 CB LYS A 36 19.751 -0.846 -6.381 1.00 0.53 C ATOM 552 CG LYS A 36 19.664 -2.351 -6.572 1.00 0.62 C ATOM 553 CD LYS A 36 20.294 -2.786 -7.884 1.00 0.66 C ATOM 554 CE LYS A 36 20.155 -4.286 -8.094 1.00 0.61 C ATOM 555 NZ LYS A 36 20.709 -4.721 -9.403 1.00 0.65 N ATOM 0 H LYS A 36 19.420 1.563 -5.939 1.00 0.38 H new ATOM 0 HA LYS A 36 17.880 -0.639 -5.359 1.00 0.42 H new ATOM 0 HB2 LYS A 36 19.422 -0.352 -7.295 1.00 0.53 H new ATOM 0 HB3 LYS A 36 20.793 -0.567 -6.225 1.00 0.53 H new ATOM 0 HG2 LYS A 36 20.164 -2.853 -5.744 1.00 0.62 H new ATOM 0 HG3 LYS A 36 18.619 -2.661 -6.549 1.00 0.62 H new ATOM 0 HD2 LYS A 36 19.821 -2.256 -8.710 1.00 0.66 H new ATOM 0 HD3 LYS A 36 21.349 -2.512 -7.892 1.00 0.66 H new ATOM 0 HE2 LYS A 36 20.669 -4.813 -7.290 1.00 0.61 H new ATOM 0 HE3 LYS A 36 19.103 -4.564 -8.036 1.00 0.61 H new ATOM 0 HZ1 LYS A 36 20.593 -5.750 -9.504 1.00 0.65 H new ATOM 0 HZ2 LYS A 36 20.202 -4.238 -10.172 1.00 0.65 H new ATOM 0 HZ3 LYS A 36 21.720 -4.480 -9.450 1.00 0.65 H new ATOM 569 N THR A 37 20.607 -0.597 -3.477 1.00 0.37 N ATOM 570 CA THR A 37 21.183 -1.136 -2.250 1.00 0.38 C ATOM 571 C THR A 37 20.369 -0.734 -1.016 1.00 0.36 C ATOM 572 O THR A 37 20.281 -1.483 -0.041 1.00 0.38 O ATOM 573 CB THR A 37 22.632 -0.664 -2.069 1.00 0.44 C ATOM 574 OG1 THR A 37 23.382 -0.933 -3.260 1.00 0.48 O ATOM 575 CG2 THR A 37 23.275 -1.376 -0.891 1.00 0.49 C ATOM 0 H THR A 37 21.211 0.060 -3.971 1.00 0.37 H new ATOM 0 HA THR A 37 21.162 -2.222 -2.345 1.00 0.38 H new ATOM 0 HB THR A 37 22.629 0.409 -1.876 1.00 0.44 H new ATOM 0 HG1 THR A 37 24.306 -0.629 -3.141 1.00 0.48 H new ATOM 0 HG21 THR A 37 24.303 -1.031 -0.774 1.00 0.49 H new ATOM 0 HG22 THR A 37 22.714 -1.157 0.017 1.00 0.49 H new ATOM 0 HG23 THR A 37 23.271 -2.451 -1.069 1.00 0.49 H new ATOM 583 N GLU A 38 19.756 0.438 -1.073 1.00 0.34 N ATOM 584 CA GLU A 38 18.951 0.929 0.036 1.00 0.34 C ATOM 585 C GLU A 38 17.664 0.137 0.110 1.00 0.34 C ATOM 586 O GLU A 38 17.118 -0.097 1.189 1.00 0.48 O ATOM 587 CB GLU A 38 18.657 2.411 -0.133 1.00 0.35 C ATOM 588 CG GLU A 38 19.913 3.242 -0.292 1.00 0.47 C ATOM 589 CD GLU A 38 19.623 4.701 -0.544 1.00 1.27 C ATOM 590 OE1 GLU A 38 18.580 5.005 -1.157 1.00 1.96 O ATOM 591 OE2 GLU A 38 20.451 5.542 -0.142 1.00 2.16 O ATOM 0 H GLU A 38 19.800 1.067 -1.875 1.00 0.34 H new ATOM 0 HA GLU A 38 19.505 0.800 0.966 1.00 0.34 H new ATOM 0 HB2 GLU A 38 18.019 2.553 -1.005 1.00 0.35 H new ATOM 0 HB3 GLU A 38 18.098 2.767 0.732 1.00 0.35 H new ATOM 0 HG2 GLU A 38 20.521 3.148 0.607 1.00 0.47 H new ATOM 0 HG3 GLU A 38 20.503 2.846 -1.119 1.00 0.47 H new ATOM 598 N PHE A 39 17.199 -0.299 -1.051 1.00 0.29 N ATOM 599 CA PHE A 39 16.004 -1.101 -1.140 1.00 0.31 C ATOM 600 C PHE A 39 16.348 -2.519 -0.754 1.00 0.28 C ATOM 601 O PHE A 39 15.529 -3.231 -0.197 1.00 0.27 O ATOM 602 CB PHE A 39 15.435 -1.058 -2.557 1.00 0.53 C ATOM 603 CG PHE A 39 13.936 -1.139 -2.602 1.00 0.81 C ATOM 604 CD1 PHE A 39 13.168 -0.049 -2.239 1.00 1.76 C ATOM 605 CD2 PHE A 39 13.297 -2.298 -2.999 1.00 1.78 C ATOM 606 CE1 PHE A 39 11.793 -0.107 -2.272 1.00 2.62 C ATOM 607 CE2 PHE A 39 11.920 -2.367 -3.035 1.00 2.66 C ATOM 608 CZ PHE A 39 11.165 -1.267 -2.672 1.00 2.88 C ATOM 0 H PHE A 39 17.642 -0.104 -1.949 1.00 0.29 H new ATOM 0 HA PHE A 39 15.245 -0.707 -0.464 1.00 0.31 H new ATOM 0 HB2 PHE A 39 15.756 -0.136 -3.041 1.00 0.53 H new ATOM 0 HB3 PHE A 39 15.853 -1.883 -3.133 1.00 0.53 H new ATOM 0 HD1 PHE A 39 13.654 0.863 -1.924 1.00 1.76 H new ATOM 0 HD2 PHE A 39 13.882 -3.160 -3.284 1.00 1.78 H new ATOM 0 HE1 PHE A 39 11.208 0.754 -1.985 1.00 2.62 H new ATOM 0 HE2 PHE A 39 11.432 -3.279 -3.346 1.00 2.66 H new ATOM 0 HZ PHE A 39 10.087 -1.317 -2.702 1.00 2.88 H new ATOM 618 N LEU A 40 17.577 -2.917 -1.059 1.00 0.33 N ATOM 619 CA LEU A 40 18.099 -4.195 -0.611 1.00 0.37 C ATOM 620 C LEU A 40 18.082 -4.229 0.907 1.00 0.40 C ATOM 621 O LEU A 40 17.680 -5.220 1.516 1.00 0.43 O ATOM 622 CB LEU A 40 19.527 -4.409 -1.119 1.00 0.43 C ATOM 623 CG LEU A 40 19.735 -4.251 -2.631 1.00 0.50 C ATOM 624 CD1 LEU A 40 21.053 -4.871 -3.066 1.00 1.07 C ATOM 625 CD2 LEU A 40 18.577 -4.835 -3.411 1.00 0.46 C ATOM 0 H LEU A 40 18.231 -2.368 -1.617 1.00 0.33 H new ATOM 0 HA LEU A 40 17.474 -4.994 -1.010 1.00 0.37 H new ATOM 0 HB2 LEU A 40 20.183 -3.705 -0.607 1.00 0.43 H new ATOM 0 HB3 LEU A 40 19.847 -5.410 -0.831 1.00 0.43 H new ATOM 0 HG LEU A 40 19.775 -3.184 -2.850 1.00 0.50 H new ATOM 0 HD11 LEU A 40 21.177 -4.746 -4.142 1.00 1.07 H new ATOM 0 HD12 LEU A 40 21.875 -4.379 -2.547 1.00 1.07 H new ATOM 0 HD13 LEU A 40 21.053 -5.933 -2.822 1.00 1.07 H new ATOM 0 HD21 LEU A 40 18.756 -4.707 -4.479 1.00 0.46 H new ATOM 0 HD22 LEU A 40 18.484 -5.897 -3.184 1.00 0.46 H new ATOM 0 HD23 LEU A 40 17.656 -4.323 -3.133 1.00 0.46 H new ATOM 637 N SER A 41 18.519 -3.125 1.504 1.00 0.42 N ATOM 638 CA SER A 41 18.445 -2.939 2.943 1.00 0.52 C ATOM 639 C SER A 41 16.991 -3.041 3.402 1.00 0.45 C ATOM 640 O SER A 41 16.656 -3.900 4.209 1.00 0.47 O ATOM 641 CB SER A 41 19.046 -1.582 3.332 1.00 0.67 C ATOM 642 OG SER A 41 19.162 -1.448 4.738 1.00 1.40 O ATOM 0 H SER A 41 18.932 -2.338 1.003 1.00 0.42 H new ATOM 0 HA SER A 41 19.022 -3.721 3.438 1.00 0.52 H new ATOM 0 HB2 SER A 41 20.029 -1.473 2.873 1.00 0.67 H new ATOM 0 HB3 SER A 41 18.421 -0.780 2.940 1.00 0.67 H new ATOM 0 HG SER A 41 19.549 -0.574 4.952 1.00 1.40 H new ATOM 648 N PHE A 42 16.138 -2.184 2.835 1.00 0.42 N ATOM 649 CA PHE A 42 14.692 -2.218 3.079 1.00 0.46 C ATOM 650 C PHE A 42 14.150 -3.638 3.000 1.00 0.29 C ATOM 651 O PHE A 42 13.492 -4.118 3.907 1.00 0.43 O ATOM 652 CB PHE A 42 13.989 -1.374 2.018 1.00 0.80 C ATOM 653 CG PHE A 42 12.523 -1.665 1.886 1.00 1.89 C ATOM 654 CD1 PHE A 42 11.659 -1.498 2.951 1.00 2.69 C ATOM 655 CD2 PHE A 42 12.018 -2.136 0.689 1.00 2.77 C ATOM 656 CE1 PHE A 42 10.317 -1.793 2.822 1.00 3.73 C ATOM 657 CE2 PHE A 42 10.680 -2.433 0.556 1.00 3.80 C ATOM 658 CZ PHE A 42 9.828 -2.262 1.624 1.00 4.13 C ATOM 0 H PHE A 42 16.430 -1.446 2.194 1.00 0.42 H new ATOM 0 HA PHE A 42 14.506 -1.827 4.079 1.00 0.46 H new ATOM 0 HB2 PHE A 42 14.120 -0.319 2.260 1.00 0.80 H new ATOM 0 HB3 PHE A 42 14.471 -1.542 1.055 1.00 0.80 H new ATOM 0 HD1 PHE A 42 12.038 -1.133 3.894 1.00 2.69 H new ATOM 0 HD2 PHE A 42 12.681 -2.273 -0.153 1.00 2.77 H new ATOM 0 HE1 PHE A 42 9.651 -1.656 3.661 1.00 3.73 H new ATOM 0 HE2 PHE A 42 10.299 -2.800 -0.386 1.00 3.80 H new ATOM 0 HZ PHE A 42 8.778 -2.495 1.522 1.00 4.13 H new ATOM 668 N MET A 43 14.427 -4.294 1.897 1.00 0.26 N ATOM 669 CA MET A 43 13.869 -5.608 1.628 1.00 0.29 C ATOM 670 C MET A 43 14.368 -6.690 2.581 1.00 0.29 C ATOM 671 O MET A 43 13.644 -7.636 2.854 1.00 0.37 O ATOM 672 CB MET A 43 14.141 -6.017 0.190 1.00 0.39 C ATOM 673 CG MET A 43 13.205 -5.354 -0.811 1.00 0.62 C ATOM 674 SD MET A 43 13.573 -5.773 -2.527 1.00 1.22 S ATOM 675 CE MET A 43 15.211 -5.078 -2.697 1.00 2.26 C ATOM 0 H MET A 43 15.040 -3.939 1.163 1.00 0.26 H new ATOM 0 HA MET A 43 12.795 -5.519 1.793 1.00 0.29 H new ATOM 0 HB2 MET A 43 15.171 -5.765 -0.064 1.00 0.39 H new ATOM 0 HB3 MET A 43 14.047 -7.099 0.103 1.00 0.39 H new ATOM 0 HG2 MET A 43 12.179 -5.646 -0.586 1.00 0.62 H new ATOM 0 HG3 MET A 43 13.263 -4.272 -0.689 1.00 0.62 H new ATOM 0 HE1 MET A 43 15.557 -5.208 -3.722 1.00 2.26 H new ATOM 0 HE2 MET A 43 15.182 -4.015 -2.456 1.00 2.26 H new ATOM 0 HE3 MET A 43 15.894 -5.586 -2.016 1.00 2.26 H new ATOM 685 N ASN A 44 15.583 -6.582 3.093 1.00 0.29 N ATOM 686 CA ASN A 44 16.077 -7.633 3.979 1.00 0.33 C ATOM 687 C ASN A 44 15.712 -7.357 5.419 1.00 0.32 C ATOM 688 O ASN A 44 15.806 -8.239 6.268 1.00 0.39 O ATOM 689 CB ASN A 44 17.584 -7.836 3.873 1.00 0.42 C ATOM 690 CG ASN A 44 18.417 -6.803 4.617 1.00 1.05 C ATOM 691 OD1 ASN A 44 18.684 -6.946 5.812 1.00 1.54 O ATOM 692 ND2 ASN A 44 18.866 -5.783 3.916 1.00 1.83 N ATOM 0 H ASN A 44 16.227 -5.810 2.922 1.00 0.29 H new ATOM 0 HA ASN A 44 15.589 -8.550 3.649 1.00 0.33 H new ATOM 0 HB2 ASN A 44 17.832 -8.826 4.255 1.00 0.42 H new ATOM 0 HB3 ASN A 44 17.866 -7.821 2.820 1.00 0.42 H new ATOM 0 HD21 ASN A 44 19.455 -5.079 4.360 1.00 1.83 H new ATOM 0 HD22 ASN A 44 18.625 -5.697 2.929 1.00 1.83 H new ATOM 699 N THR A 45 15.309 -6.138 5.697 1.00 0.26 N ATOM 700 CA THR A 45 14.947 -5.761 7.049 1.00 0.29 C ATOM 701 C THR A 45 13.441 -5.668 7.199 1.00 0.28 C ATOM 702 O THR A 45 12.828 -6.379 7.997 1.00 0.34 O ATOM 703 CB THR A 45 15.586 -4.420 7.420 1.00 0.29 C ATOM 704 OG1 THR A 45 15.268 -3.442 6.424 1.00 0.34 O ATOM 705 CG2 THR A 45 17.092 -4.573 7.534 1.00 0.34 C ATOM 0 H THR A 45 15.223 -5.390 5.008 1.00 0.26 H new ATOM 0 HA THR A 45 15.319 -6.533 7.723 1.00 0.29 H new ATOM 0 HB THR A 45 15.193 -4.093 8.382 1.00 0.29 H new ATOM 0 HG1 THR A 45 15.943 -3.467 5.714 1.00 0.34 H new ATOM 0 HG21 THR A 45 17.536 -3.613 7.798 1.00 0.34 H new ATOM 0 HG22 THR A 45 17.326 -5.306 8.306 1.00 0.34 H new ATOM 0 HG23 THR A 45 17.497 -4.910 6.580 1.00 0.34 H new ATOM 713 N GLU A 46 12.858 -4.802 6.402 1.00 0.23 N ATOM 714 CA GLU A 46 11.439 -4.554 6.433 1.00 0.25 C ATOM 715 C GLU A 46 10.681 -5.616 5.642 1.00 0.25 C ATOM 716 O GLU A 46 9.476 -5.746 5.781 1.00 0.34 O ATOM 717 CB GLU A 46 11.136 -3.162 5.879 1.00 0.29 C ATOM 718 CG GLU A 46 11.755 -2.023 6.679 1.00 0.58 C ATOM 719 CD GLU A 46 11.173 -1.875 8.072 1.00 1.17 C ATOM 720 OE1 GLU A 46 11.653 -2.560 8.998 1.00 1.68 O ATOM 721 OE2 GLU A 46 10.246 -1.057 8.256 1.00 1.70 O ATOM 0 H GLU A 46 13.361 -4.247 5.710 1.00 0.23 H new ATOM 0 HA GLU A 46 11.106 -4.603 7.470 1.00 0.25 H new ATOM 0 HB2 GLU A 46 11.495 -3.106 4.851 1.00 0.29 H new ATOM 0 HB3 GLU A 46 10.055 -3.023 5.847 1.00 0.29 H new ATOM 0 HG2 GLU A 46 12.830 -2.188 6.759 1.00 0.58 H new ATOM 0 HG3 GLU A 46 11.615 -1.089 6.134 1.00 0.58 H new ATOM 728 N LEU A 47 11.364 -6.376 4.798 1.00 0.25 N ATOM 729 CA LEU A 47 10.685 -7.460 4.090 1.00 0.26 C ATOM 730 C LEU A 47 11.421 -8.773 4.237 1.00 0.28 C ATOM 731 O LEU A 47 11.302 -9.659 3.392 1.00 0.30 O ATOM 732 CB LEU A 47 10.506 -7.138 2.614 1.00 0.26 C ATOM 733 CG LEU A 47 9.652 -5.914 2.320 1.00 0.27 C ATOM 734 CD1 LEU A 47 9.603 -5.664 0.829 1.00 0.32 C ATOM 735 CD2 LEU A 47 8.252 -6.104 2.884 1.00 0.27 C ATOM 0 H LEU A 47 12.357 -6.271 4.588 1.00 0.25 H new ATOM 0 HA LEU A 47 9.701 -7.560 4.549 1.00 0.26 H new ATOM 0 HB2 LEU A 47 11.490 -6.991 2.168 1.00 0.26 H new ATOM 0 HB3 LEU A 47 10.058 -8.001 2.121 1.00 0.26 H new ATOM 0 HG LEU A 47 10.098 -5.043 2.801 1.00 0.27 H new ATOM 0 HD11 LEU A 47 8.990 -4.786 0.627 1.00 0.32 H new ATOM 0 HD12 LEU A 47 10.613 -5.495 0.455 1.00 0.32 H new ATOM 0 HD13 LEU A 47 9.171 -6.531 0.329 1.00 0.32 H new ATOM 0 HD21 LEU A 47 7.650 -5.222 2.668 1.00 0.27 H new ATOM 0 HD22 LEU A 47 7.791 -6.979 2.426 1.00 0.27 H new ATOM 0 HD23 LEU A 47 8.311 -6.247 3.963 1.00 0.27 H new ATOM 747 N ALA A 48 12.214 -8.876 5.290 1.00 0.32 N ATOM 748 CA ALA A 48 12.868 -10.124 5.655 1.00 0.36 C ATOM 749 C ALA A 48 11.913 -11.316 5.591 1.00 0.39 C ATOM 750 O ALA A 48 12.313 -12.415 5.208 1.00 0.44 O ATOM 751 CB ALA A 48 13.449 -9.992 7.045 1.00 0.41 C ATOM 0 H ALA A 48 12.423 -8.099 5.916 1.00 0.32 H new ATOM 0 HA ALA A 48 13.663 -10.314 4.933 1.00 0.36 H new ATOM 0 HB1 ALA A 48 13.940 -10.924 7.324 1.00 0.41 H new ATOM 0 HB2 ALA A 48 14.176 -9.180 7.060 1.00 0.41 H new ATOM 0 HB3 ALA A 48 12.650 -9.777 7.754 1.00 0.41 H new ATOM 757 N ALA A 49 10.655 -11.083 5.947 1.00 0.38 N ATOM 758 CA ALA A 49 9.624 -12.115 5.901 1.00 0.41 C ATOM 759 C ALA A 49 9.522 -12.739 4.518 1.00 0.41 C ATOM 760 O ALA A 49 9.347 -13.948 4.374 1.00 0.47 O ATOM 761 CB ALA A 49 8.290 -11.514 6.282 1.00 0.44 C ATOM 0 H ALA A 49 10.321 -10.177 6.275 1.00 0.38 H new ATOM 0 HA ALA A 49 9.898 -12.899 6.607 1.00 0.41 H new ATOM 0 HB1 ALA A 49 7.520 -12.285 6.247 1.00 0.44 H new ATOM 0 HB2 ALA A 49 8.350 -11.106 7.291 1.00 0.44 H new ATOM 0 HB3 ALA A 49 8.037 -10.717 5.583 1.00 0.44 H new ATOM 767 N PHE A 50 9.611 -11.895 3.511 1.00 0.36 N ATOM 768 CA PHE A 50 9.546 -12.329 2.131 1.00 0.37 C ATOM 769 C PHE A 50 10.929 -12.753 1.653 1.00 0.38 C ATOM 770 O PHE A 50 11.127 -13.872 1.178 1.00 0.44 O ATOM 771 CB PHE A 50 9.024 -11.178 1.272 1.00 0.35 C ATOM 772 CG PHE A 50 8.843 -11.522 -0.180 1.00 0.70 C ATOM 773 CD1 PHE A 50 7.721 -12.215 -0.607 1.00 1.32 C ATOM 774 CD2 PHE A 50 9.792 -11.148 -1.120 1.00 1.63 C ATOM 775 CE1 PHE A 50 7.548 -12.527 -1.943 1.00 1.66 C ATOM 776 CE2 PHE A 50 9.625 -11.459 -2.456 1.00 2.09 C ATOM 777 CZ PHE A 50 8.503 -12.149 -2.868 1.00 1.80 C ATOM 0 H PHE A 50 9.730 -10.889 3.626 1.00 0.36 H new ATOM 0 HA PHE A 50 8.873 -13.182 2.046 1.00 0.37 H new ATOM 0 HB2 PHE A 50 8.068 -10.843 1.676 1.00 0.35 H new ATOM 0 HB3 PHE A 50 9.715 -10.339 1.351 1.00 0.35 H new ATOM 0 HD1 PHE A 50 6.973 -12.515 0.112 1.00 1.32 H new ATOM 0 HD2 PHE A 50 10.672 -10.607 -0.804 1.00 1.63 H new ATOM 0 HE1 PHE A 50 6.668 -13.065 -2.263 1.00 1.66 H new ATOM 0 HE2 PHE A 50 10.372 -11.162 -3.177 1.00 2.09 H new ATOM 0 HZ PHE A 50 8.371 -12.393 -3.912 1.00 1.80 H new ATOM 787 N THR A 51 11.877 -11.847 1.829 1.00 0.36 N ATOM 788 CA THR A 51 13.227 -12.001 1.316 1.00 0.40 C ATOM 789 C THR A 51 13.924 -13.242 1.865 1.00 0.45 C ATOM 790 O THR A 51 14.430 -14.068 1.109 1.00 0.54 O ATOM 791 CB THR A 51 14.054 -10.757 1.676 1.00 0.39 C ATOM 792 OG1 THR A 51 13.471 -9.598 1.074 1.00 0.39 O ATOM 793 CG2 THR A 51 15.500 -10.903 1.229 1.00 0.49 C ATOM 0 H THR A 51 11.729 -10.975 2.337 1.00 0.36 H new ATOM 0 HA THR A 51 13.152 -12.118 0.235 1.00 0.40 H new ATOM 0 HB THR A 51 14.048 -10.648 2.761 1.00 0.39 H new ATOM 0 HG1 THR A 51 13.440 -8.870 1.729 1.00 0.39 H new ATOM 0 HG21 THR A 51 16.057 -10.006 1.499 1.00 0.49 H new ATOM 0 HG22 THR A 51 15.947 -11.768 1.719 1.00 0.49 H new ATOM 0 HG23 THR A 51 15.535 -11.040 0.148 1.00 0.49 H new ATOM 801 N LYS A 52 13.929 -13.380 3.180 1.00 0.48 N ATOM 802 CA LYS A 52 14.725 -14.409 3.828 1.00 0.60 C ATOM 803 C LYS A 52 14.065 -15.772 3.726 1.00 0.69 C ATOM 804 O LYS A 52 14.723 -16.803 3.861 1.00 0.84 O ATOM 805 CB LYS A 52 14.948 -14.052 5.293 1.00 0.70 C ATOM 806 CG LYS A 52 15.657 -12.720 5.490 1.00 0.78 C ATOM 807 CD LYS A 52 17.036 -12.719 4.849 1.00 1.07 C ATOM 808 CE LYS A 52 17.741 -11.388 5.043 1.00 1.24 C ATOM 809 NZ LYS A 52 18.075 -11.130 6.470 1.00 1.82 N ATOM 0 H LYS A 52 13.392 -12.794 3.819 1.00 0.48 H new ATOM 0 HA LYS A 52 15.685 -14.460 3.314 1.00 0.60 H new ATOM 0 HB2 LYS A 52 13.985 -14.021 5.802 1.00 0.70 H new ATOM 0 HB3 LYS A 52 15.534 -14.840 5.766 1.00 0.70 H new ATOM 0 HG2 LYS A 52 15.055 -11.920 5.060 1.00 0.78 H new ATOM 0 HG3 LYS A 52 15.750 -12.511 6.556 1.00 0.78 H new ATOM 0 HD2 LYS A 52 17.639 -13.517 5.281 1.00 1.07 H new ATOM 0 HD3 LYS A 52 16.943 -12.930 3.784 1.00 1.07 H new ATOM 0 HE2 LYS A 52 18.655 -11.373 4.450 1.00 1.24 H new ATOM 0 HE3 LYS A 52 17.106 -10.585 4.670 1.00 1.24 H new ATOM 0 HZ1 LYS A 52 18.685 -10.291 6.537 1.00 1.82 H new ATOM 0 HZ2 LYS A 52 17.200 -10.966 7.007 1.00 1.82 H new ATOM 0 HZ3 LYS A 52 18.574 -11.953 6.864 1.00 1.82 H new ATOM 902 N GLY A 58 19.119 -12.542 -5.485 1.00 0.67 N ATOM 903 CA GLY A 58 18.723 -12.199 -6.835 1.00 0.56 C ATOM 904 C GLY A 58 17.253 -11.845 -6.938 1.00 0.49 C ATOM 905 O GLY A 58 16.838 -11.183 -7.885 1.00 0.48 O ATOM 0 HA2 GLY A 58 19.321 -11.357 -7.182 1.00 0.56 H new ATOM 0 HA3 GLY A 58 18.938 -13.038 -7.497 1.00 0.56 H new ATOM 909 N VAL A 59 16.459 -12.273 -5.965 1.00 0.52 N ATOM 910 CA VAL A 59 15.040 -11.944 -5.958 1.00 0.52 C ATOM 911 C VAL A 59 14.834 -10.458 -5.753 1.00 0.49 C ATOM 912 O VAL A 59 14.004 -9.841 -6.416 1.00 0.49 O ATOM 913 CB VAL A 59 14.253 -12.717 -4.877 1.00 0.61 C ATOM 914 CG1 VAL A 59 14.826 -12.468 -3.488 1.00 0.65 C ATOM 915 CG2 VAL A 59 12.786 -12.325 -4.915 1.00 0.66 C ATOM 0 H VAL A 59 16.769 -12.843 -5.178 1.00 0.52 H new ATOM 0 HA VAL A 59 14.654 -12.243 -6.933 1.00 0.52 H new ATOM 0 HB VAL A 59 14.345 -13.781 -5.093 1.00 0.61 H new ATOM 0 HG11 VAL A 59 14.249 -13.027 -2.751 1.00 0.65 H new ATOM 0 HG12 VAL A 59 15.865 -12.795 -3.459 1.00 0.65 H new ATOM 0 HG13 VAL A 59 14.774 -11.404 -3.258 1.00 0.65 H new ATOM 0 HG21 VAL A 59 12.242 -12.877 -4.148 1.00 0.66 H new ATOM 0 HG22 VAL A 59 12.690 -11.255 -4.729 1.00 0.66 H new ATOM 0 HG23 VAL A 59 12.372 -12.561 -5.895 1.00 0.66 H new ATOM 925 N LEU A 60 15.614 -9.882 -4.855 1.00 0.48 N ATOM 926 CA LEU A 60 15.516 -8.464 -4.571 1.00 0.46 C ATOM 927 C LEU A 60 15.909 -7.680 -5.804 1.00 0.43 C ATOM 928 O LEU A 60 15.496 -6.539 -6.011 1.00 0.41 O ATOM 929 CB LEU A 60 16.423 -8.082 -3.410 1.00 0.48 C ATOM 930 CG LEU A 60 16.215 -8.886 -2.128 1.00 0.51 C ATOM 931 CD1 LEU A 60 16.977 -8.255 -0.972 1.00 0.51 C ATOM 932 CD2 LEU A 60 14.734 -8.993 -1.807 1.00 0.52 C ATOM 0 H LEU A 60 16.322 -10.376 -4.311 1.00 0.48 H new ATOM 0 HA LEU A 60 14.488 -8.231 -4.295 1.00 0.46 H new ATOM 0 HB2 LEU A 60 17.460 -8.197 -3.727 1.00 0.48 H new ATOM 0 HB3 LEU A 60 16.273 -7.026 -3.185 1.00 0.48 H new ATOM 0 HG LEU A 60 16.606 -9.892 -2.280 1.00 0.51 H new ATOM 0 HD11 LEU A 60 16.817 -8.842 -0.067 1.00 0.51 H new ATOM 0 HD12 LEU A 60 18.041 -8.233 -1.207 1.00 0.51 H new ATOM 0 HD13 LEU A 60 16.620 -7.238 -0.813 1.00 0.51 H new ATOM 0 HD21 LEU A 60 14.601 -9.569 -0.891 1.00 0.52 H new ATOM 0 HD22 LEU A 60 14.318 -7.995 -1.672 1.00 0.52 H new ATOM 0 HD23 LEU A 60 14.219 -9.493 -2.627 1.00 0.52 H new ATOM 944 N ASP A 61 16.703 -8.335 -6.627 1.00 0.46 N ATOM 945 CA ASP A 61 17.151 -7.771 -7.885 1.00 0.46 C ATOM 946 C ASP A 61 15.984 -7.728 -8.850 1.00 0.47 C ATOM 947 O ASP A 61 15.770 -6.744 -9.560 1.00 0.51 O ATOM 948 CB ASP A 61 18.284 -8.614 -8.471 1.00 0.47 C ATOM 949 CG ASP A 61 19.023 -7.918 -9.595 1.00 0.48 C ATOM 950 OD1 ASP A 61 18.580 -8.007 -10.757 1.00 1.19 O ATOM 951 OD2 ASP A 61 20.069 -7.292 -9.322 1.00 1.22 O ATOM 0 H ASP A 61 17.056 -9.274 -6.443 1.00 0.46 H new ATOM 0 HA ASP A 61 17.526 -6.761 -7.716 1.00 0.46 H new ATOM 0 HB2 ASP A 61 18.991 -8.863 -7.679 1.00 0.47 H new ATOM 0 HB3 ASP A 61 17.875 -9.554 -8.841 1.00 0.47 H new ATOM 956 N ARG A 62 15.213 -8.804 -8.830 1.00 0.47 N ATOM 957 CA ARG A 62 14.030 -8.930 -9.662 1.00 0.51 C ATOM 958 C ARG A 62 12.965 -7.936 -9.222 1.00 0.50 C ATOM 959 O ARG A 62 12.230 -7.398 -10.050 1.00 0.56 O ATOM 960 CB ARG A 62 13.479 -10.353 -9.576 1.00 0.55 C ATOM 961 CG ARG A 62 14.527 -11.425 -9.822 1.00 0.55 C ATOM 962 CD ARG A 62 13.938 -12.817 -9.711 1.00 0.62 C ATOM 963 NE ARG A 62 12.865 -13.038 -10.682 1.00 1.45 N ATOM 964 CZ ARG A 62 11.900 -13.947 -10.534 1.00 1.97 C ATOM 965 NH1 ARG A 62 11.872 -14.724 -9.456 1.00 1.66 N ATOM 966 NH2 ARG A 62 10.957 -14.074 -11.462 1.00 3.02 N ATOM 0 H ARG A 62 15.391 -9.614 -8.236 1.00 0.47 H new ATOM 0 HA ARG A 62 14.306 -8.715 -10.694 1.00 0.51 H new ATOM 0 HB2 ARG A 62 13.040 -10.505 -8.590 1.00 0.55 H new ATOM 0 HB3 ARG A 62 12.676 -10.468 -10.304 1.00 0.55 H new ATOM 0 HG2 ARG A 62 14.960 -11.291 -10.813 1.00 0.55 H new ATOM 0 HG3 ARG A 62 15.338 -11.314 -9.102 1.00 0.55 H new ATOM 0 HD2 ARG A 62 14.724 -13.556 -9.865 1.00 0.62 H new ATOM 0 HD3 ARG A 62 13.551 -12.968 -8.703 1.00 0.62 H new ATOM 0 HE ARG A 62 12.855 -12.462 -11.523 1.00 1.45 H new ATOM 0 HH11 ARG A 62 12.590 -14.626 -8.738 1.00 1.66 H new ATOM 0 HH12 ARG A 62 11.132 -15.418 -9.347 1.00 1.66 H new ATOM 0 HH21 ARG A 62 10.971 -13.476 -12.288 1.00 3.02 H new ATOM 0 HH22 ARG A 62 10.220 -14.769 -11.348 1.00 3.02 H new ATOM 980 N MET A 63 12.887 -7.699 -7.913 1.00 0.45 N ATOM 981 CA MET A 63 11.953 -6.714 -7.375 1.00 0.44 C ATOM 982 C MET A 63 12.311 -5.350 -7.918 1.00 0.41 C ATOM 983 O MET A 63 11.524 -4.716 -8.617 1.00 0.42 O ATOM 984 CB MET A 63 12.011 -6.623 -5.847 1.00 0.43 C ATOM 985 CG MET A 63 12.056 -7.954 -5.107 1.00 0.49 C ATOM 986 SD MET A 63 10.441 -8.748 -4.938 1.00 0.64 S ATOM 987 CE MET A 63 10.245 -9.512 -6.544 1.00 1.54 C ATOM 0 H MET A 63 13.455 -8.172 -7.211 1.00 0.45 H new ATOM 0 HA MET A 63 10.952 -7.029 -7.670 1.00 0.44 H new ATOM 0 HB2 MET A 63 12.892 -6.044 -5.569 1.00 0.43 H new ATOM 0 HB3 MET A 63 11.141 -6.065 -5.501 1.00 0.43 H new ATOM 0 HG2 MET A 63 12.730 -8.630 -5.634 1.00 0.49 H new ATOM 0 HG3 MET A 63 12.478 -7.794 -4.115 1.00 0.49 H new ATOM 0 HE1 MET A 63 9.781 -10.492 -6.427 1.00 1.54 H new ATOM 0 HE2 MET A 63 9.612 -8.884 -7.171 1.00 1.54 H new ATOM 0 HE3 MET A 63 11.222 -9.627 -7.014 1.00 1.54 H new ATOM 997 N MET A 64 13.532 -4.930 -7.603 1.00 0.41 N ATOM 998 CA MET A 64 14.019 -3.610 -7.952 1.00 0.42 C ATOM 999 C MET A 64 13.840 -3.317 -9.433 1.00 0.44 C ATOM 1000 O MET A 64 13.260 -2.306 -9.790 1.00 0.41 O ATOM 1001 CB MET A 64 15.487 -3.467 -7.543 1.00 0.55 C ATOM 1002 CG MET A 64 16.158 -2.223 -8.097 1.00 0.65 C ATOM 1003 SD MET A 64 17.116 -2.563 -9.584 1.00 1.87 S ATOM 1004 CE MET A 64 17.623 -0.910 -10.037 1.00 2.41 C ATOM 0 H MET A 64 14.209 -5.501 -7.097 1.00 0.41 H new ATOM 0 HA MET A 64 13.426 -2.877 -7.405 1.00 0.42 H new ATOM 0 HB2 MET A 64 15.552 -3.450 -6.455 1.00 0.55 H new ATOM 0 HB3 MET A 64 16.036 -4.346 -7.881 1.00 0.55 H new ATOM 0 HG2 MET A 64 15.399 -1.473 -8.321 1.00 0.65 H new ATOM 0 HG3 MET A 64 16.812 -1.797 -7.336 1.00 0.65 H new ATOM 0 HE1 MET A 64 18.430 -0.964 -10.768 1.00 2.41 H new ATOM 0 HE2 MET A 64 16.777 -0.376 -10.469 1.00 2.41 H new ATOM 0 HE3 MET A 64 17.972 -0.381 -9.150 1.00 2.41 H new ATOM 1014 N LYS A 65 14.306 -4.212 -10.288 1.00 0.52 N ATOM 1015 CA LYS A 65 14.226 -3.992 -11.730 1.00 0.56 C ATOM 1016 C LYS A 65 12.782 -3.932 -12.224 1.00 0.54 C ATOM 1017 O LYS A 65 12.476 -3.196 -13.162 1.00 0.60 O ATOM 1018 CB LYS A 65 14.997 -5.073 -12.484 1.00 0.66 C ATOM 1019 CG LYS A 65 16.503 -4.984 -12.296 1.00 0.79 C ATOM 1020 CD LYS A 65 17.058 -3.654 -12.793 1.00 0.86 C ATOM 1021 CE LYS A 65 16.830 -3.460 -14.284 1.00 1.57 C ATOM 1022 NZ LYS A 65 17.498 -4.510 -15.096 1.00 2.49 N ATOM 0 H LYS A 65 14.742 -5.093 -10.015 1.00 0.52 H new ATOM 0 HA LYS A 65 14.682 -3.023 -11.931 1.00 0.56 H new ATOM 0 HB2 LYS A 65 14.654 -6.053 -12.151 1.00 0.66 H new ATOM 0 HB3 LYS A 65 14.766 -4.999 -13.547 1.00 0.66 H new ATOM 0 HG2 LYS A 65 16.745 -5.107 -11.240 1.00 0.79 H new ATOM 0 HG3 LYS A 65 16.985 -5.802 -12.831 1.00 0.79 H new ATOM 0 HD2 LYS A 65 16.587 -2.838 -12.245 1.00 0.86 H new ATOM 0 HD3 LYS A 65 18.126 -3.605 -12.581 1.00 0.86 H new ATOM 0 HE2 LYS A 65 15.760 -3.470 -14.490 1.00 1.57 H new ATOM 0 HE3 LYS A 65 17.203 -2.480 -14.582 1.00 1.57 H new ATOM 0 HZ1 LYS A 65 17.461 -4.247 -16.102 1.00 2.49 H new ATOM 0 HZ2 LYS A 65 18.490 -4.600 -14.798 1.00 2.49 H new ATOM 0 HZ3 LYS A 65 17.011 -5.418 -14.957 1.00 2.49 H new ATOM 1036 N LYS A 66 11.901 -4.701 -11.596 1.00 0.50 N ATOM 1037 CA LYS A 66 10.482 -4.665 -11.935 1.00 0.52 C ATOM 1038 C LYS A 66 9.885 -3.321 -11.550 1.00 0.48 C ATOM 1039 O LYS A 66 9.157 -2.696 -12.322 1.00 0.55 O ATOM 1040 CB LYS A 66 9.728 -5.778 -11.204 1.00 0.55 C ATOM 1041 CG LYS A 66 8.227 -5.771 -11.463 1.00 0.91 C ATOM 1042 CD LYS A 66 7.507 -6.846 -10.663 1.00 0.96 C ATOM 1043 CE LYS A 66 7.663 -6.640 -9.163 1.00 0.73 C ATOM 1044 NZ LYS A 66 6.930 -7.672 -8.386 1.00 1.47 N ATOM 0 H LYS A 66 12.142 -5.355 -10.852 1.00 0.50 H new ATOM 0 HA LYS A 66 10.385 -4.813 -13.011 1.00 0.52 H new ATOM 0 HB2 LYS A 66 10.136 -6.742 -11.508 1.00 0.55 H new ATOM 0 HB3 LYS A 66 9.904 -5.681 -10.133 1.00 0.55 H new ATOM 0 HG2 LYS A 66 7.819 -4.793 -11.206 1.00 0.91 H new ATOM 0 HG3 LYS A 66 8.042 -5.925 -12.526 1.00 0.91 H new ATOM 0 HD2 LYS A 66 6.448 -6.842 -10.921 1.00 0.96 H new ATOM 0 HD3 LYS A 66 7.899 -7.826 -10.937 1.00 0.96 H new ATOM 0 HE2 LYS A 66 8.720 -6.670 -8.900 1.00 0.73 H new ATOM 0 HE3 LYS A 66 7.295 -5.651 -8.892 1.00 0.73 H new ATOM 0 HZ1 LYS A 66 7.060 -7.498 -7.369 1.00 1.47 H new ATOM 0 HZ2 LYS A 66 5.917 -7.627 -8.618 1.00 1.47 H new ATOM 0 HZ3 LYS A 66 7.299 -8.614 -8.626 1.00 1.47 H new ATOM 1058 N LEU A 67 10.224 -2.881 -10.354 1.00 0.41 N ATOM 1059 CA LEU A 67 9.652 -1.678 -9.775 1.00 0.39 C ATOM 1060 C LEU A 67 10.282 -0.429 -10.362 1.00 0.40 C ATOM 1061 O LEU A 67 9.622 0.599 -10.476 1.00 0.46 O ATOM 1062 CB LEU A 67 9.881 -1.698 -8.277 1.00 0.34 C ATOM 1063 CG LEU A 67 9.459 -2.993 -7.581 1.00 0.33 C ATOM 1064 CD1 LEU A 67 9.938 -3.006 -6.143 1.00 0.30 C ATOM 1065 CD2 LEU A 67 7.950 -3.183 -7.651 1.00 0.37 C ATOM 0 H LEU A 67 10.905 -3.347 -9.754 1.00 0.41 H new ATOM 0 HA LEU A 67 8.586 -1.658 -10.000 1.00 0.39 H new ATOM 0 HB2 LEU A 67 10.940 -1.526 -8.083 1.00 0.34 H new ATOM 0 HB3 LEU A 67 9.336 -0.867 -7.829 1.00 0.34 H new ATOM 0 HG LEU A 67 9.926 -3.827 -8.105 1.00 0.33 H new ATOM 0 HD11 LEU A 67 9.628 -3.935 -5.665 1.00 0.30 H new ATOM 0 HD12 LEU A 67 11.025 -2.932 -6.121 1.00 0.30 H new ATOM 0 HD13 LEU A 67 9.506 -2.161 -5.608 1.00 0.30 H new ATOM 0 HD21 LEU A 67 7.676 -4.111 -7.149 1.00 0.37 H new ATOM 0 HD22 LEU A 67 7.455 -2.345 -7.160 1.00 0.37 H new ATOM 0 HD23 LEU A 67 7.637 -3.229 -8.694 1.00 0.37 H new ATOM 1077 N ASP A 68 11.568 -0.535 -10.706 1.00 0.40 N ATOM 1078 CA ASP A 68 12.333 0.563 -11.304 1.00 0.42 C ATOM 1079 C ASP A 68 11.787 0.870 -12.691 1.00 0.52 C ATOM 1080 O ASP A 68 12.376 0.554 -13.726 1.00 0.56 O ATOM 1081 CB ASP A 68 13.826 0.187 -11.340 1.00 0.43 C ATOM 1082 CG ASP A 68 14.694 1.143 -12.148 1.00 0.46 C ATOM 1083 OD1 ASP A 68 14.830 2.323 -11.763 1.00 1.13 O ATOM 1084 OD2 ASP A 68 15.260 0.701 -13.177 1.00 1.23 O ATOM 0 H ASP A 68 12.111 -1.389 -10.577 1.00 0.40 H new ATOM 0 HA ASP A 68 12.232 1.466 -10.703 1.00 0.42 H new ATOM 0 HB2 ASP A 68 14.203 0.148 -10.318 1.00 0.43 H new ATOM 0 HB3 ASP A 68 13.926 -0.816 -11.756 1.00 0.43 H new ATOM 1089 N THR A 69 10.615 1.452 -12.675 1.00 0.59 N ATOM 1090 CA THR A 69 9.893 1.815 -13.869 1.00 0.74 C ATOM 1091 C THR A 69 10.410 3.143 -14.397 1.00 0.84 C ATOM 1092 O THR A 69 10.254 3.471 -15.574 1.00 0.99 O ATOM 1093 CB THR A 69 8.388 1.895 -13.555 1.00 0.79 C ATOM 1094 OG1 THR A 69 7.609 1.806 -14.758 1.00 0.90 O ATOM 1095 CG2 THR A 69 8.058 3.187 -12.829 1.00 0.83 C ATOM 0 H THR A 69 10.125 1.692 -11.813 1.00 0.59 H new ATOM 0 HA THR A 69 10.046 1.058 -14.638 1.00 0.74 H new ATOM 0 HB THR A 69 8.139 1.052 -12.910 1.00 0.79 H new ATOM 0 HG1 THR A 69 6.656 1.857 -14.535 1.00 0.90 H new ATOM 0 HG21 THR A 69 6.989 3.223 -12.617 1.00 0.83 H new ATOM 0 HG22 THR A 69 8.615 3.231 -11.893 1.00 0.83 H new ATOM 0 HG23 THR A 69 8.332 4.036 -13.455 1.00 0.83 H new ATOM 1103 N ASN A 70 11.047 3.889 -13.511 1.00 0.80 N ATOM 1104 CA ASN A 70 11.673 5.145 -13.868 1.00 0.94 C ATOM 1105 C ASN A 70 13.028 4.873 -14.488 1.00 0.86 C ATOM 1106 O ASN A 70 13.645 5.738 -15.115 1.00 0.97 O ATOM 1107 CB ASN A 70 11.827 5.991 -12.613 1.00 1.01 C ATOM 1108 CG ASN A 70 12.287 7.411 -12.882 1.00 1.25 C ATOM 1109 OD1 ASN A 70 12.009 7.990 -13.936 1.00 1.46 O ATOM 1110 ND2 ASN A 70 12.989 7.986 -11.921 1.00 1.66 N ATOM 0 H ASN A 70 11.143 3.640 -12.527 1.00 0.80 H new ATOM 0 HA ASN A 70 11.058 5.681 -14.591 1.00 0.94 H new ATOM 0 HB2 ASN A 70 10.872 6.022 -12.088 1.00 1.01 H new ATOM 0 HB3 ASN A 70 12.542 5.508 -11.946 1.00 1.01 H new ATOM 0 HD21 ASN A 70 13.322 8.943 -12.036 1.00 1.66 H new ATOM 0 HD22 ASN A 70 13.197 7.473 -11.065 1.00 1.66 H new ATOM 1117 N SER A 71 13.465 3.630 -14.293 1.00 0.70 N ATOM 1118 CA SER A 71 14.691 3.110 -14.866 1.00 0.66 C ATOM 1119 C SER A 71 15.874 3.989 -14.505 1.00 0.61 C ATOM 1120 O SER A 71 16.768 4.231 -15.318 1.00 0.65 O ATOM 1121 CB SER A 71 14.541 2.960 -16.378 1.00 0.82 C ATOM 1122 OG SER A 71 13.449 2.105 -16.682 1.00 1.47 O ATOM 0 H SER A 71 12.964 2.950 -13.722 1.00 0.70 H new ATOM 0 HA SER A 71 14.884 2.123 -14.446 1.00 0.66 H new ATOM 0 HB2 SER A 71 14.384 3.938 -16.834 1.00 0.82 H new ATOM 0 HB3 SER A 71 15.459 2.554 -16.803 1.00 0.82 H new ATOM 0 HG SER A 71 13.362 2.018 -17.654 1.00 1.47 H new ATOM 1128 N ASP A 72 15.868 4.445 -13.265 1.00 0.58 N ATOM 1129 CA ASP A 72 16.907 5.318 -12.753 1.00 0.65 C ATOM 1130 C ASP A 72 17.861 4.506 -11.893 1.00 0.56 C ATOM 1131 O ASP A 72 18.983 4.922 -11.608 1.00 0.66 O ATOM 1132 CB ASP A 72 16.282 6.452 -11.934 1.00 0.80 C ATOM 1133 CG ASP A 72 17.291 7.496 -11.501 1.00 0.93 C ATOM 1134 OD1 ASP A 72 17.681 8.333 -12.342 1.00 1.56 O ATOM 1135 OD2 ASP A 72 17.678 7.507 -10.314 1.00 1.53 O ATOM 0 H ASP A 72 15.142 4.220 -12.585 1.00 0.58 H new ATOM 0 HA ASP A 72 17.459 5.758 -13.584 1.00 0.65 H new ATOM 0 HB2 ASP A 72 15.502 6.932 -12.525 1.00 0.80 H new ATOM 0 HB3 ASP A 72 15.800 6.032 -11.051 1.00 0.80 H new ATOM 1140 N GLY A 73 17.400 3.328 -11.494 1.00 0.45 N ATOM 1141 CA GLY A 73 18.202 2.469 -10.651 1.00 0.46 C ATOM 1142 C GLY A 73 17.797 2.608 -9.208 1.00 0.41 C ATOM 1143 O GLY A 73 18.481 2.128 -8.301 1.00 0.44 O ATOM 0 H GLY A 73 16.484 2.953 -11.740 1.00 0.45 H new ATOM 0 HA2 GLY A 73 18.088 1.432 -10.967 1.00 0.46 H new ATOM 0 HA3 GLY A 73 19.256 2.723 -10.764 1.00 0.46 H new ATOM 1147 N GLN A 74 16.678 3.277 -9.005 1.00 0.38 N ATOM 1148 CA GLN A 74 16.142 3.510 -7.685 1.00 0.37 C ATOM 1149 C GLN A 74 14.649 3.306 -7.728 1.00 0.36 C ATOM 1150 O GLN A 74 14.066 3.199 -8.802 1.00 0.39 O ATOM 1151 CB GLN A 74 16.418 4.936 -7.220 1.00 0.38 C ATOM 1152 CG GLN A 74 17.863 5.378 -7.361 1.00 0.42 C ATOM 1153 CD GLN A 74 18.106 6.764 -6.802 1.00 0.50 C ATOM 1154 OE1 GLN A 74 18.430 6.922 -5.628 1.00 1.03 O ATOM 1155 NE2 GLN A 74 17.960 7.776 -7.637 1.00 1.25 N ATOM 0 H GLN A 74 16.115 3.674 -9.757 1.00 0.38 H new ATOM 0 HA GLN A 74 16.618 2.816 -6.992 1.00 0.37 H new ATOM 0 HB2 GLN A 74 15.786 5.618 -7.788 1.00 0.38 H new ATOM 0 HB3 GLN A 74 16.125 5.026 -6.174 1.00 0.38 H new ATOM 0 HG2 GLN A 74 18.509 4.665 -6.848 1.00 0.42 H new ATOM 0 HG3 GLN A 74 18.143 5.361 -8.414 1.00 0.42 H new ATOM 0 HE21 GLN A 74 17.690 7.603 -8.605 1.00 1.25 H new ATOM 0 HE22 GLN A 74 18.118 8.731 -7.314 1.00 1.25 H new ATOM 1164 N LEU A 75 14.036 3.272 -6.568 1.00 0.33 N ATOM 1165 CA LEU A 75 12.601 3.119 -6.483 1.00 0.32 C ATOM 1166 C LEU A 75 11.976 4.297 -5.787 1.00 0.32 C ATOM 1167 O LEU A 75 12.188 4.528 -4.594 1.00 0.32 O ATOM 1168 CB LEU A 75 12.252 1.830 -5.769 1.00 0.31 C ATOM 1169 CG LEU A 75 12.825 0.594 -6.452 1.00 0.33 C ATOM 1170 CD1 LEU A 75 12.342 -0.663 -5.779 1.00 0.35 C ATOM 1171 CD2 LEU A 75 12.444 0.589 -7.920 1.00 0.35 C ATOM 0 H LEU A 75 14.509 3.348 -5.668 1.00 0.33 H new ATOM 0 HA LEU A 75 12.200 3.075 -7.496 1.00 0.32 H new ATOM 0 HB2 LEU A 75 12.623 1.877 -4.745 1.00 0.31 H new ATOM 0 HB3 LEU A 75 11.168 1.736 -5.711 1.00 0.31 H new ATOM 0 HG LEU A 75 13.911 0.625 -6.369 1.00 0.33 H new ATOM 0 HD11 LEU A 75 12.764 -1.532 -6.284 1.00 0.35 H new ATOM 0 HD12 LEU A 75 12.657 -0.661 -4.736 1.00 0.35 H new ATOM 0 HD13 LEU A 75 11.254 -0.708 -5.829 1.00 0.35 H new ATOM 0 HD21 LEU A 75 12.858 -0.298 -8.400 1.00 0.35 H new ATOM 0 HD22 LEU A 75 11.358 0.579 -8.014 1.00 0.35 H new ATOM 0 HD23 LEU A 75 12.842 1.482 -8.402 1.00 0.35 H new ATOM 1183 N ASP A 76 11.227 5.055 -6.550 1.00 0.35 N ATOM 1184 CA ASP A 76 10.505 6.186 -6.021 1.00 0.36 C ATOM 1185 C ASP A 76 9.278 5.674 -5.285 1.00 0.33 C ATOM 1186 O ASP A 76 8.996 4.480 -5.324 1.00 0.32 O ATOM 1187 CB ASP A 76 10.159 7.151 -7.164 1.00 0.44 C ATOM 1188 CG ASP A 76 8.668 7.299 -7.430 1.00 0.91 C ATOM 1189 OD1 ASP A 76 8.099 6.486 -8.190 1.00 1.45 O ATOM 1190 OD2 ASP A 76 8.057 8.245 -6.887 1.00 1.68 O ATOM 0 H ASP A 76 11.101 4.906 -7.551 1.00 0.35 H new ATOM 0 HA ASP A 76 11.110 6.746 -5.308 1.00 0.36 H new ATOM 0 HB2 ASP A 76 10.574 8.132 -6.933 1.00 0.44 H new ATOM 0 HB3 ASP A 76 10.646 6.805 -8.076 1.00 0.44 H new ATOM 1195 N PHE A 77 8.568 6.554 -4.605 1.00 0.41 N ATOM 1196 CA PHE A 77 7.475 6.143 -3.743 1.00 0.49 C ATOM 1197 C PHE A 77 6.465 5.278 -4.491 1.00 0.39 C ATOM 1198 O PHE A 77 6.076 4.223 -4.007 1.00 0.39 O ATOM 1199 CB PHE A 77 6.791 7.363 -3.151 1.00 0.72 C ATOM 1200 CG PHE A 77 5.992 7.047 -1.924 1.00 1.76 C ATOM 1201 CD1 PHE A 77 6.585 6.419 -0.842 1.00 2.56 C ATOM 1202 CD2 PHE A 77 4.653 7.364 -1.855 1.00 2.66 C ATOM 1203 CE1 PHE A 77 5.854 6.117 0.288 1.00 3.67 C ATOM 1204 CE2 PHE A 77 3.918 7.063 -0.728 1.00 3.77 C ATOM 1205 CZ PHE A 77 4.518 6.440 0.344 1.00 4.15 C ATOM 0 H PHE A 77 8.729 7.561 -4.633 1.00 0.41 H new ATOM 0 HA PHE A 77 7.892 5.540 -2.937 1.00 0.49 H new ATOM 0 HB2 PHE A 77 7.544 8.112 -2.905 1.00 0.72 H new ATOM 0 HB3 PHE A 77 6.135 7.805 -3.901 1.00 0.72 H new ATOM 0 HD1 PHE A 77 7.633 6.162 -0.883 1.00 2.56 H new ATOM 0 HD2 PHE A 77 4.175 7.853 -2.691 1.00 2.66 H new ATOM 0 HE1 PHE A 77 6.329 5.629 1.126 1.00 3.67 H new ATOM 0 HE2 PHE A 77 2.869 7.316 -0.686 1.00 3.77 H new ATOM 0 HZ PHE A 77 3.941 6.206 1.226 1.00 4.15 H new ATOM 1215 N SER A 78 6.066 5.713 -5.677 1.00 0.39 N ATOM 1216 CA SER A 78 5.130 4.953 -6.496 1.00 0.38 C ATOM 1217 C SER A 78 5.705 3.589 -6.882 1.00 0.38 C ATOM 1218 O SER A 78 4.975 2.604 -6.967 1.00 0.44 O ATOM 1219 CB SER A 78 4.769 5.746 -7.749 1.00 0.45 C ATOM 1220 OG SER A 78 5.537 6.934 -7.834 1.00 1.31 O ATOM 0 H SER A 78 6.376 6.590 -6.095 1.00 0.39 H new ATOM 0 HA SER A 78 4.229 4.781 -5.907 1.00 0.38 H new ATOM 0 HB2 SER A 78 4.940 5.133 -8.634 1.00 0.45 H new ATOM 0 HB3 SER A 78 3.708 5.994 -7.734 1.00 0.45 H new ATOM 0 HG SER A 78 6.357 6.758 -8.341 1.00 1.31 H new ATOM 1226 N GLU A 79 7.015 3.532 -7.082 1.00 0.36 N ATOM 1227 CA GLU A 79 7.678 2.294 -7.475 1.00 0.42 C ATOM 1228 C GLU A 79 7.776 1.365 -6.269 1.00 0.33 C ATOM 1229 O GLU A 79 7.585 0.151 -6.369 1.00 0.33 O ATOM 1230 CB GLU A 79 9.060 2.606 -8.051 1.00 0.51 C ATOM 1231 CG GLU A 79 8.997 3.547 -9.244 1.00 0.64 C ATOM 1232 CD GLU A 79 10.360 3.936 -9.784 1.00 1.81 C ATOM 1233 OE1 GLU A 79 10.992 4.844 -9.207 1.00 2.57 O ATOM 1234 OE2 GLU A 79 10.783 3.367 -10.810 1.00 2.54 O ATOM 0 H GLU A 79 7.641 4.330 -6.978 1.00 0.36 H new ATOM 0 HA GLU A 79 7.097 1.792 -8.248 1.00 0.42 H new ATOM 0 HB2 GLU A 79 9.681 3.051 -7.274 1.00 0.51 H new ATOM 0 HB3 GLU A 79 9.543 1.676 -8.351 1.00 0.51 H new ATOM 0 HG2 GLU A 79 8.422 3.073 -10.040 1.00 0.64 H new ATOM 0 HG3 GLU A 79 8.459 4.450 -8.956 1.00 0.64 H new ATOM 1241 N PHE A 80 8.043 1.971 -5.124 1.00 0.28 N ATOM 1242 CA PHE A 80 8.049 1.285 -3.843 1.00 0.25 C ATOM 1243 C PHE A 80 6.647 0.773 -3.507 1.00 0.23 C ATOM 1244 O PHE A 80 6.483 -0.302 -2.936 1.00 0.26 O ATOM 1245 CB PHE A 80 8.553 2.265 -2.776 1.00 0.31 C ATOM 1246 CG PHE A 80 8.232 1.896 -1.356 1.00 0.71 C ATOM 1247 CD1 PHE A 80 8.791 0.780 -0.762 1.00 1.26 C ATOM 1248 CD2 PHE A 80 7.378 2.690 -0.609 1.00 1.60 C ATOM 1249 CE1 PHE A 80 8.503 0.462 0.548 1.00 1.56 C ATOM 1250 CE2 PHE A 80 7.086 2.375 0.700 1.00 1.98 C ATOM 1251 CZ PHE A 80 7.650 1.259 1.280 1.00 1.64 C ATOM 0 H PHE A 80 8.264 2.964 -5.057 1.00 0.28 H new ATOM 0 HA PHE A 80 8.710 0.419 -3.881 1.00 0.25 H new ATOM 0 HB2 PHE A 80 9.635 2.356 -2.874 1.00 0.31 H new ATOM 0 HB3 PHE A 80 8.130 3.248 -2.982 1.00 0.31 H new ATOM 0 HD1 PHE A 80 9.460 0.151 -1.330 1.00 1.26 H new ATOM 0 HD2 PHE A 80 6.935 3.567 -1.058 1.00 1.60 H new ATOM 0 HE1 PHE A 80 8.946 -0.412 1.001 1.00 1.56 H new ATOM 0 HE2 PHE A 80 6.416 3.001 1.271 1.00 1.98 H new ATOM 0 HZ PHE A 80 7.424 1.010 2.306 1.00 1.64 H new ATOM 1261 N LEU A 81 5.637 1.541 -3.890 1.00 0.25 N ATOM 1262 CA LEU A 81 4.255 1.170 -3.627 1.00 0.26 C ATOM 1263 C LEU A 81 3.780 0.114 -4.595 1.00 0.26 C ATOM 1264 O LEU A 81 2.927 -0.707 -4.263 1.00 0.27 O ATOM 1265 CB LEU A 81 3.348 2.379 -3.719 1.00 0.29 C ATOM 1266 CG LEU A 81 3.600 3.452 -2.663 1.00 0.28 C ATOM 1267 CD1 LEU A 81 2.593 4.569 -2.813 1.00 0.34 C ATOM 1268 CD2 LEU A 81 3.557 2.849 -1.260 1.00 0.29 C ATOM 0 H LEU A 81 5.749 2.426 -4.385 1.00 0.25 H new ATOM 0 HA LEU A 81 4.214 0.765 -2.616 1.00 0.26 H new ATOM 0 HB2 LEU A 81 3.463 2.827 -4.706 1.00 0.29 H new ATOM 0 HB3 LEU A 81 2.313 2.046 -3.638 1.00 0.29 H new ATOM 0 HG LEU A 81 4.597 3.868 -2.811 1.00 0.28 H new ATOM 0 HD11 LEU A 81 2.779 5.331 -2.056 1.00 0.34 H new ATOM 0 HD12 LEU A 81 2.686 5.012 -3.804 1.00 0.34 H new ATOM 0 HD13 LEU A 81 1.586 4.171 -2.687 1.00 0.34 H new ATOM 0 HD21 LEU A 81 3.739 3.631 -0.522 1.00 0.29 H new ATOM 0 HD22 LEU A 81 2.577 2.405 -1.084 1.00 0.29 H new ATOM 0 HD23 LEU A 81 4.324 2.080 -1.171 1.00 0.29 H new ATOM 1280 N ASN A 82 4.320 0.145 -5.799 1.00 0.26 N ATOM 1281 CA ASN A 82 4.045 -0.894 -6.770 1.00 0.26 C ATOM 1282 C ASN A 82 4.468 -2.232 -6.192 1.00 0.23 C ATOM 1283 O ASN A 82 3.812 -3.258 -6.387 1.00 0.25 O ATOM 1284 CB ASN A 82 4.803 -0.626 -8.069 1.00 0.30 C ATOM 1285 CG ASN A 82 3.973 0.107 -9.108 1.00 0.79 C ATOM 1286 OD1 ASN A 82 4.150 -0.089 -10.311 1.00 1.51 O ATOM 1287 ND2 ASN A 82 3.066 0.961 -8.657 1.00 1.42 N ATOM 0 H ASN A 82 4.950 0.877 -6.126 1.00 0.26 H new ATOM 0 HA ASN A 82 2.978 -0.906 -6.992 1.00 0.26 H new ATOM 0 HB2 ASN A 82 5.695 -0.040 -7.847 1.00 0.30 H new ATOM 0 HB3 ASN A 82 5.141 -1.574 -8.487 1.00 0.30 H new ATOM 0 HD21 ASN A 82 2.486 1.483 -9.314 1.00 1.42 H new ATOM 0 HD22 ASN A 82 2.948 1.097 -7.653 1.00 1.42 H new ATOM 1294 N LEU A 83 5.575 -2.195 -5.470 1.00 0.23 N ATOM 1295 CA LEU A 83 6.046 -3.337 -4.719 1.00 0.24 C ATOM 1296 C LEU A 83 5.030 -3.751 -3.678 1.00 0.23 C ATOM 1297 O LEU A 83 4.673 -4.920 -3.584 1.00 0.25 O ATOM 1298 CB LEU A 83 7.339 -3.004 -4.011 1.00 0.27 C ATOM 1299 CG LEU A 83 7.689 -3.977 -2.900 1.00 0.31 C ATOM 1300 CD1 LEU A 83 8.116 -5.320 -3.473 1.00 0.35 C ATOM 1301 CD2 LEU A 83 8.754 -3.394 -2.007 1.00 0.36 C ATOM 0 H LEU A 83 6.170 -1.370 -5.391 1.00 0.23 H new ATOM 0 HA LEU A 83 6.203 -4.153 -5.425 1.00 0.24 H new ATOM 0 HB2 LEU A 83 8.150 -2.990 -4.740 1.00 0.27 H new ATOM 0 HB3 LEU A 83 7.267 -1.999 -3.594 1.00 0.27 H new ATOM 0 HG LEU A 83 6.800 -4.148 -2.293 1.00 0.31 H new ATOM 0 HD11 LEU A 83 8.362 -6.001 -2.659 1.00 0.35 H new ATOM 0 HD12 LEU A 83 7.301 -5.739 -4.063 1.00 0.35 H new ATOM 0 HD13 LEU A 83 8.991 -5.183 -4.108 1.00 0.35 H new ATOM 0 HD21 LEU A 83 8.994 -4.104 -1.215 1.00 0.36 H new ATOM 0 HD22 LEU A 83 9.649 -3.189 -2.594 1.00 0.36 H new ATOM 0 HD23 LEU A 83 8.390 -2.467 -1.565 1.00 0.36 H new ATOM 1313 N ILE A 84 4.594 -2.782 -2.883 1.00 0.24 N ATOM 1314 CA ILE A 84 3.586 -3.018 -1.865 1.00 0.26 C ATOM 1315 C ILE A 84 2.355 -3.675 -2.483 1.00 0.27 C ATOM 1316 O ILE A 84 1.696 -4.486 -1.846 1.00 0.29 O ATOM 1317 CB ILE A 84 3.222 -1.699 -1.137 1.00 0.29 C ATOM 1318 CG1 ILE A 84 4.063 -1.545 0.134 1.00 0.55 C ATOM 1319 CG2 ILE A 84 1.735 -1.625 -0.796 1.00 0.47 C ATOM 1320 CD1 ILE A 84 5.554 -1.477 -0.113 1.00 0.62 C ATOM 0 H ILE A 84 4.928 -1.819 -2.927 1.00 0.24 H new ATOM 0 HA ILE A 84 3.993 -3.701 -1.119 1.00 0.26 H new ATOM 0 HB ILE A 84 3.444 -0.878 -1.819 1.00 0.29 H new ATOM 0 HG12 ILE A 84 3.751 -0.640 0.655 1.00 0.55 H new ATOM 0 HG13 ILE A 84 3.854 -2.384 0.798 1.00 0.55 H new ATOM 0 HG21 ILE A 84 1.525 -0.684 -0.287 1.00 0.47 H new ATOM 0 HG22 ILE A 84 1.148 -1.680 -1.713 1.00 0.47 H new ATOM 0 HG23 ILE A 84 1.469 -2.457 -0.144 1.00 0.47 H new ATOM 0 HD11 ILE A 84 6.076 -1.368 0.838 1.00 0.62 H new ATOM 0 HD12 ILE A 84 5.883 -2.392 -0.605 1.00 0.62 H new ATOM 0 HD13 ILE A 84 5.779 -0.622 -0.750 1.00 0.62 H new ATOM 1332 N GLY A 85 2.086 -3.349 -3.742 1.00 0.26 N ATOM 1333 CA GLY A 85 1.038 -4.013 -4.476 1.00 0.29 C ATOM 1334 C GLY A 85 1.309 -5.495 -4.620 1.00 0.29 C ATOM 1335 O GLY A 85 0.451 -6.312 -4.310 1.00 0.33 O ATOM 0 H GLY A 85 2.583 -2.629 -4.267 1.00 0.26 H new ATOM 0 HA2 GLY A 85 0.086 -3.865 -3.966 1.00 0.29 H new ATOM 0 HA3 GLY A 85 0.944 -3.562 -5.464 1.00 0.29 H new ATOM 1339 N GLY A 86 2.525 -5.849 -5.036 1.00 0.28 N ATOM 1340 CA GLY A 86 2.852 -7.248 -5.257 1.00 0.31 C ATOM 1341 C GLY A 86 2.951 -8.004 -3.951 1.00 0.29 C ATOM 1342 O GLY A 86 2.532 -9.157 -3.847 1.00 0.35 O ATOM 0 H GLY A 86 3.285 -5.195 -5.223 1.00 0.28 H new ATOM 0 HA2 GLY A 86 2.090 -7.706 -5.888 1.00 0.31 H new ATOM 0 HA3 GLY A 86 3.797 -7.322 -5.795 1.00 0.31 H new ATOM 1346 N LEU A 87 3.493 -7.327 -2.953 1.00 0.25 N ATOM 1347 CA LEU A 87 3.603 -7.859 -1.604 1.00 0.25 C ATOM 1348 C LEU A 87 2.227 -8.127 -1.024 1.00 0.26 C ATOM 1349 O LEU A 87 1.919 -9.237 -0.594 1.00 0.29 O ATOM 1350 CB LEU A 87 4.308 -6.845 -0.715 1.00 0.25 C ATOM 1351 CG LEU A 87 5.815 -6.711 -0.896 1.00 0.26 C ATOM 1352 CD1 LEU A 87 6.309 -5.490 -0.142 1.00 0.26 C ATOM 1353 CD2 LEU A 87 6.529 -7.958 -0.396 1.00 0.35 C ATOM 0 H LEU A 87 3.872 -6.386 -3.056 1.00 0.25 H new ATOM 0 HA LEU A 87 4.168 -8.790 -1.646 1.00 0.25 H new ATOM 0 HB2 LEU A 87 3.856 -5.868 -0.887 1.00 0.25 H new ATOM 0 HB3 LEU A 87 4.112 -7.108 0.324 1.00 0.25 H new ATOM 0 HG LEU A 87 6.033 -6.595 -1.958 1.00 0.26 H new ATOM 0 HD11 LEU A 87 7.387 -5.394 -0.271 1.00 0.26 H new ATOM 0 HD12 LEU A 87 5.816 -4.599 -0.530 1.00 0.26 H new ATOM 0 HD13 LEU A 87 6.079 -5.599 0.918 1.00 0.26 H new ATOM 0 HD21 LEU A 87 7.604 -7.842 -0.534 1.00 0.35 H new ATOM 0 HD22 LEU A 87 6.313 -8.101 0.663 1.00 0.35 H new ATOM 0 HD23 LEU A 87 6.183 -8.826 -0.958 1.00 0.35 H new ATOM 1365 N ALA A 88 1.407 -7.088 -1.020 1.00 0.25 N ATOM 1366 CA ALA A 88 0.072 -7.163 -0.467 1.00 0.27 C ATOM 1367 C ALA A 88 -0.743 -8.200 -1.181 1.00 0.30 C ATOM 1368 O ALA A 88 -1.466 -8.965 -0.562 1.00 0.35 O ATOM 1369 CB ALA A 88 -0.632 -5.831 -0.577 1.00 0.27 C ATOM 0 H ALA A 88 1.651 -6.173 -1.400 1.00 0.25 H new ATOM 0 HA ALA A 88 0.170 -7.436 0.584 1.00 0.27 H new ATOM 0 HB1 ALA A 88 -1.634 -5.913 -0.155 1.00 0.27 H new ATOM 0 HB2 ALA A 88 -0.068 -5.075 -0.030 1.00 0.27 H new ATOM 0 HB3 ALA A 88 -0.703 -5.542 -1.626 1.00 0.27 H new ATOM 1375 N MET A 89 -0.631 -8.206 -2.493 1.00 0.29 N ATOM 1376 CA MET A 89 -1.355 -9.154 -3.305 1.00 0.33 C ATOM 1377 C MET A 89 -0.924 -10.578 -2.985 1.00 0.34 C ATOM 1378 O MET A 89 -1.726 -11.507 -3.054 1.00 0.39 O ATOM 1379 CB MET A 89 -1.162 -8.838 -4.782 1.00 0.35 C ATOM 1380 CG MET A 89 -1.993 -7.657 -5.243 1.00 0.42 C ATOM 1381 SD MET A 89 -2.133 -7.568 -7.039 1.00 1.03 S ATOM 1382 CE MET A 89 -0.424 -7.310 -7.507 1.00 1.89 C ATOM 0 H MET A 89 -0.042 -7.561 -3.019 1.00 0.29 H new ATOM 0 HA MET A 89 -2.417 -9.071 -3.075 1.00 0.33 H new ATOM 0 HB2 MET A 89 -0.109 -8.631 -4.970 1.00 0.35 H new ATOM 0 HB3 MET A 89 -1.425 -9.715 -5.374 1.00 0.35 H new ATOM 0 HG2 MET A 89 -2.990 -7.726 -4.807 1.00 0.42 H new ATOM 0 HG3 MET A 89 -1.546 -6.735 -4.871 1.00 0.42 H new ATOM 0 HE1 MET A 89 -0.364 -7.129 -8.580 1.00 1.89 H new ATOM 0 HE2 MET A 89 -0.026 -6.449 -6.971 1.00 1.89 H new ATOM 0 HE3 MET A 89 0.160 -8.195 -7.255 1.00 1.89 H new ATOM 1392 N ALA A 90 0.334 -10.735 -2.596 1.00 0.34 N ATOM 1393 CA ALA A 90 0.848 -12.030 -2.187 1.00 0.40 C ATOM 1394 C ALA A 90 0.276 -12.421 -0.831 1.00 0.42 C ATOM 1395 O ALA A 90 -0.100 -13.569 -0.617 1.00 0.49 O ATOM 1396 CB ALA A 90 2.366 -12.011 -2.146 1.00 0.46 C ATOM 0 H ALA A 90 1.017 -9.978 -2.556 1.00 0.34 H new ATOM 0 HA ALA A 90 0.537 -12.775 -2.919 1.00 0.40 H new ATOM 0 HB1 ALA A 90 2.734 -12.990 -1.838 1.00 0.46 H new ATOM 0 HB2 ALA A 90 2.754 -11.773 -3.137 1.00 0.46 H new ATOM 0 HB3 ALA A 90 2.701 -11.257 -1.434 1.00 0.46 H new ATOM 1402 N CYS A 91 0.195 -11.453 0.076 1.00 0.41 N ATOM 1403 CA CYS A 91 -0.378 -11.683 1.400 1.00 0.47 C ATOM 1404 C CYS A 91 -1.880 -11.931 1.291 1.00 0.45 C ATOM 1405 O CYS A 91 -2.443 -12.726 2.031 1.00 0.51 O ATOM 1406 CB CYS A 91 -0.099 -10.488 2.323 1.00 0.55 C ATOM 1407 SG CYS A 91 -0.747 -10.672 4.003 1.00 1.76 S ATOM 0 H CYS A 91 0.520 -10.499 -0.081 1.00 0.41 H new ATOM 0 HA CYS A 91 0.091 -12.567 1.831 1.00 0.47 H new ATOM 0 HB2 CYS A 91 0.978 -10.331 2.378 1.00 0.55 H new ATOM 0 HB3 CYS A 91 -0.530 -9.592 1.877 1.00 0.55 H new ATOM 0 HG CYS A 91 0.116 -10.204 4.855 1.00 1.76 H new ATOM 1413 N HIS A 92 -2.515 -11.249 0.350 1.00 0.41 N ATOM 1414 CA HIS A 92 -3.930 -11.438 0.066 1.00 0.46 C ATOM 1415 C HIS A 92 -4.165 -12.836 -0.472 1.00 0.45 C ATOM 1416 O HIS A 92 -5.046 -13.553 -0.007 1.00 0.49 O ATOM 1417 CB HIS A 92 -4.401 -10.394 -0.955 1.00 0.54 C ATOM 1418 CG HIS A 92 -5.779 -10.628 -1.500 1.00 1.21 C ATOM 1419 ND1 HIS A 92 -6.013 -10.999 -2.804 1.00 2.13 N ATOM 1420 CD2 HIS A 92 -6.998 -10.529 -0.917 1.00 1.96 C ATOM 1421 CE1 HIS A 92 -7.310 -11.115 -3.003 1.00 2.74 C ATOM 1422 NE2 HIS A 92 -7.934 -10.838 -1.874 1.00 2.62 N ATOM 0 H HIS A 92 -2.064 -10.549 -0.239 1.00 0.41 H new ATOM 0 HA HIS A 92 -4.499 -11.313 0.987 1.00 0.46 H new ATOM 0 HB2 HIS A 92 -4.372 -9.410 -0.488 1.00 0.54 H new ATOM 0 HB3 HIS A 92 -3.695 -10.373 -1.785 1.00 0.54 H new ATOM 0 HD2 HIS A 92 -7.197 -10.258 0.109 1.00 1.96 H new ATOM 0 HE1 HIS A 92 -7.783 -11.391 -3.934 1.00 2.74 H new ATOM 0 HE2 HIS A 92 -8.944 -10.851 -1.735 1.00 2.62 H new ATOM 1431 N ASP A 93 -3.359 -13.207 -1.447 1.00 0.45 N ATOM 1432 CA ASP A 93 -3.453 -14.514 -2.063 1.00 0.52 C ATOM 1433 C ASP A 93 -3.157 -15.601 -1.030 1.00 0.56 C ATOM 1434 O ASP A 93 -3.789 -16.654 -1.021 1.00 0.65 O ATOM 1435 CB ASP A 93 -2.484 -14.590 -3.241 1.00 0.54 C ATOM 1436 CG ASP A 93 -2.710 -15.808 -4.109 1.00 0.93 C ATOM 1437 OD1 ASP A 93 -3.752 -15.865 -4.798 1.00 1.48 O ATOM 1438 OD2 ASP A 93 -1.834 -16.699 -4.127 1.00 1.75 O ATOM 0 H ASP A 93 -2.624 -12.614 -1.832 1.00 0.45 H new ATOM 0 HA ASP A 93 -4.464 -14.675 -2.437 1.00 0.52 H new ATOM 0 HB2 ASP A 93 -2.588 -13.692 -3.849 1.00 0.54 H new ATOM 0 HB3 ASP A 93 -1.461 -14.603 -2.864 1.00 0.54 H new ATOM 1443 N SER A 94 -2.217 -15.315 -0.135 1.00 0.54 N ATOM 1444 CA SER A 94 -1.883 -16.223 0.953 1.00 0.60 C ATOM 1445 C SER A 94 -3.038 -16.323 1.935 1.00 0.63 C ATOM 1446 O SER A 94 -3.401 -17.407 2.361 1.00 0.70 O ATOM 1447 CB SER A 94 -0.635 -15.739 1.686 1.00 0.65 C ATOM 1448 OG SER A 94 0.480 -15.686 0.812 1.00 1.27 O ATOM 0 H SER A 94 -1.670 -14.454 -0.144 1.00 0.54 H new ATOM 0 HA SER A 94 -1.690 -17.207 0.526 1.00 0.60 H new ATOM 0 HB2 SER A 94 -0.817 -14.751 2.108 1.00 0.65 H new ATOM 0 HB3 SER A 94 -0.417 -16.407 2.519 1.00 0.65 H new ATOM 0 HG SER A 94 0.270 -15.110 0.048 1.00 1.27 H new ATOM 1454 N PHE A 95 -3.612 -15.176 2.267 1.00 0.60 N ATOM 1455 CA PHE A 95 -4.711 -15.084 3.217 1.00 0.66 C ATOM 1456 C PHE A 95 -5.872 -15.958 2.762 1.00 0.72 C ATOM 1457 O PHE A 95 -6.567 -16.561 3.573 1.00 0.84 O ATOM 1458 CB PHE A 95 -5.149 -13.620 3.331 1.00 0.64 C ATOM 1459 CG PHE A 95 -5.984 -13.300 4.537 1.00 0.78 C ATOM 1460 CD1 PHE A 95 -5.458 -13.437 5.812 1.00 1.80 C ATOM 1461 CD2 PHE A 95 -7.284 -12.844 4.397 1.00 1.30 C ATOM 1462 CE1 PHE A 95 -6.216 -13.129 6.924 1.00 2.35 C ATOM 1463 CE2 PHE A 95 -8.045 -12.531 5.506 1.00 1.76 C ATOM 1464 CZ PHE A 95 -7.511 -12.675 6.771 1.00 2.08 C ATOM 0 H PHE A 95 -3.326 -14.276 1.882 1.00 0.60 H new ATOM 0 HA PHE A 95 -4.384 -15.439 4.194 1.00 0.66 H new ATOM 0 HB2 PHE A 95 -4.259 -12.990 3.346 1.00 0.64 H new ATOM 0 HB3 PHE A 95 -5.712 -13.354 2.437 1.00 0.64 H new ATOM 0 HD1 PHE A 95 -4.444 -13.788 5.937 1.00 1.80 H new ATOM 0 HD2 PHE A 95 -7.707 -12.732 3.410 1.00 1.30 H new ATOM 0 HE1 PHE A 95 -5.796 -13.243 7.913 1.00 2.35 H new ATOM 0 HE2 PHE A 95 -9.057 -12.174 5.384 1.00 1.76 H new ATOM 0 HZ PHE A 95 -8.105 -12.433 7.640 1.00 2.08 H new ATOM 1737 N PRO B 7 5.809 -9.042 11.656 1.00 0.70 N ATOM 1738 CA PRO B 7 5.692 -8.143 10.505 1.00 0.54 C ATOM 1739 C PRO B 7 6.365 -6.807 10.764 1.00 0.45 C ATOM 1740 O PRO B 7 6.514 -6.382 11.913 1.00 0.57 O ATOM 1741 CB PRO B 7 4.187 -7.958 10.388 1.00 0.62 C ATOM 1742 CG PRO B 7 3.742 -7.968 11.802 1.00 0.75 C ATOM 1743 CD PRO B 7 4.572 -9.037 12.466 1.00 0.82 C ATOM 0 HA PRO B 7 6.168 -8.539 9.608 1.00 0.54 H new ATOM 0 HB2 PRO B 7 3.932 -7.022 9.891 1.00 0.62 H new ATOM 0 HB3 PRO B 7 3.725 -8.760 9.813 1.00 0.62 H new ATOM 0 HG2 PRO B 7 3.900 -6.997 12.272 1.00 0.75 H new ATOM 0 HG3 PRO B 7 2.678 -8.190 11.879 1.00 0.75 H new ATOM 0 HD2 PRO B 7 4.774 -8.802 13.511 1.00 0.82 H new ATOM 0 HD3 PRO B 7 4.073 -10.006 12.448 1.00 0.82 H new ATOM 1751 N THR B 8 6.781 -6.154 9.702 1.00 0.34 N ATOM 1752 CA THR B 8 7.408 -4.859 9.816 1.00 0.27 C ATOM 1753 C THR B 8 6.420 -3.756 9.492 1.00 0.28 C ATOM 1754 O THR B 8 5.248 -4.026 9.245 1.00 0.34 O ATOM 1755 CB THR B 8 8.592 -4.755 8.863 1.00 0.29 C ATOM 1756 OG1 THR B 8 8.101 -4.625 7.528 1.00 0.37 O ATOM 1757 CG2 THR B 8 9.470 -5.989 8.984 1.00 0.33 C ATOM 0 H THR B 8 6.695 -6.501 8.747 1.00 0.34 H new ATOM 0 HA THR B 8 7.754 -4.746 10.843 1.00 0.27 H new ATOM 0 HB THR B 8 9.193 -3.882 9.117 1.00 0.29 H new ATOM 0 HG1 THR B 8 8.749 -5.010 6.902 1.00 0.37 H new ATOM 0 HG21 THR B 8 10.313 -5.904 8.299 1.00 0.33 H new ATOM 0 HG22 THR B 8 9.840 -6.073 10.006 1.00 0.33 H new ATOM 0 HG23 THR B 8 8.887 -6.876 8.735 1.00 0.33 H new ATOM 1765 N GLU B 9 6.909 -2.531 9.454 1.00 0.28 N ATOM 1766 CA GLU B 9 6.077 -1.357 9.209 1.00 0.33 C ATOM 1767 C GLU B 9 5.298 -1.480 7.899 1.00 0.36 C ATOM 1768 O GLU B 9 4.099 -1.207 7.849 1.00 0.52 O ATOM 1769 CB GLU B 9 6.976 -0.128 9.182 1.00 0.40 C ATOM 1770 CG GLU B 9 6.246 1.185 9.048 1.00 0.56 C ATOM 1771 CD GLU B 9 7.088 2.340 9.534 1.00 1.73 C ATOM 1772 OE1 GLU B 9 8.198 2.542 8.998 1.00 2.48 O ATOM 1773 OE2 GLU B 9 6.662 3.028 10.487 1.00 2.47 O ATOM 0 H GLU B 9 7.897 -2.316 9.592 1.00 0.28 H new ATOM 0 HA GLU B 9 5.341 -1.269 10.008 1.00 0.33 H new ATOM 0 HB2 GLU B 9 7.567 -0.107 10.097 1.00 0.40 H new ATOM 0 HB3 GLU B 9 7.676 -0.225 8.352 1.00 0.40 H new ATOM 0 HG2 GLU B 9 5.974 1.346 8.005 1.00 0.56 H new ATOM 0 HG3 GLU B 9 5.317 1.146 9.618 1.00 0.56 H new ATOM 1780 N THR B 10 5.975 -1.911 6.851 1.00 0.26 N ATOM 1781 CA THR B 10 5.338 -2.069 5.552 1.00 0.27 C ATOM 1782 C THR B 10 4.484 -3.323 5.510 1.00 0.27 C ATOM 1783 O THR B 10 3.398 -3.316 4.942 1.00 0.31 O ATOM 1784 CB THR B 10 6.372 -2.094 4.402 1.00 0.27 C ATOM 1785 OG1 THR B 10 5.808 -2.685 3.226 1.00 0.40 O ATOM 1786 CG2 THR B 10 7.620 -2.851 4.820 1.00 0.26 C ATOM 0 H THR B 10 6.964 -2.158 6.871 1.00 0.26 H new ATOM 0 HA THR B 10 4.695 -1.201 5.408 1.00 0.27 H new ATOM 0 HB THR B 10 6.649 -1.064 4.175 1.00 0.27 H new ATOM 0 HG1 THR B 10 6.477 -2.690 2.510 1.00 0.40 H new ATOM 0 HG21 THR B 10 8.335 -2.857 3.997 1.00 0.26 H new ATOM 0 HG22 THR B 10 8.068 -2.364 5.686 1.00 0.26 H new ATOM 0 HG23 THR B 10 7.354 -3.876 5.077 1.00 0.26 H new ATOM 1794 N GLU B 11 4.942 -4.386 6.143 1.00 0.24 N ATOM 1795 CA GLU B 11 4.207 -5.636 6.103 1.00 0.27 C ATOM 1796 C GLU B 11 2.913 -5.513 6.889 1.00 0.30 C ATOM 1797 O GLU B 11 1.867 -5.988 6.458 1.00 0.32 O ATOM 1798 CB GLU B 11 5.052 -6.776 6.635 1.00 0.29 C ATOM 1799 CG GLU B 11 6.436 -6.804 6.029 1.00 0.41 C ATOM 1800 CD GLU B 11 7.203 -8.054 6.384 1.00 1.11 C ATOM 1801 OE1 GLU B 11 7.288 -8.379 7.588 1.00 1.85 O ATOM 1802 OE2 GLU B 11 7.724 -8.710 5.459 1.00 1.71 O ATOM 0 H GLU B 11 5.807 -4.411 6.684 1.00 0.24 H new ATOM 0 HA GLU B 11 3.961 -5.857 5.064 1.00 0.27 H new ATOM 0 HB2 GLU B 11 5.135 -6.687 7.718 1.00 0.29 H new ATOM 0 HB3 GLU B 11 4.550 -7.722 6.430 1.00 0.29 H new ATOM 0 HG2 GLU B 11 6.355 -6.728 4.945 1.00 0.41 H new ATOM 0 HG3 GLU B 11 6.994 -5.932 6.368 1.00 0.41 H new ATOM 1809 N ARG B 12 2.982 -4.839 8.028 1.00 0.35 N ATOM 1810 CA ARG B 12 1.796 -4.602 8.838 1.00 0.42 C ATOM 1811 C ARG B 12 0.873 -3.625 8.123 1.00 0.43 C ATOM 1812 O ARG B 12 -0.344 -3.674 8.284 1.00 0.47 O ATOM 1813 CB ARG B 12 2.171 -4.108 10.250 1.00 0.48 C ATOM 1814 CG ARG B 12 2.860 -2.748 10.318 1.00 0.49 C ATOM 1815 CD ARG B 12 1.885 -1.610 10.101 1.00 0.56 C ATOM 1816 NE ARG B 12 2.474 -0.306 10.395 1.00 1.08 N ATOM 1817 CZ ARG B 12 2.456 0.266 11.598 1.00 1.34 C ATOM 1818 NH1 ARG B 12 1.882 -0.347 12.628 1.00 1.86 N ATOM 1819 NH2 ARG B 12 3.004 1.460 11.767 1.00 1.95 N ATOM 0 H ARG B 12 3.843 -4.448 8.411 1.00 0.35 H new ATOM 0 HA ARG B 12 1.264 -5.544 8.968 1.00 0.42 H new ATOM 0 HB2 ARG B 12 1.263 -4.065 10.852 1.00 0.48 H new ATOM 0 HB3 ARG B 12 2.824 -4.848 10.712 1.00 0.48 H new ATOM 0 HG2 ARG B 12 3.342 -2.633 11.289 1.00 0.49 H new ATOM 0 HG3 ARG B 12 3.646 -2.701 9.565 1.00 0.49 H new ATOM 0 HD2 ARG B 12 1.539 -1.624 9.067 1.00 0.56 H new ATOM 0 HD3 ARG B 12 1.009 -1.760 10.732 1.00 0.56 H new ATOM 0 HE ARG B 12 2.927 0.198 9.632 1.00 1.08 H new ATOM 0 HH11 ARG B 12 1.451 -1.263 12.501 1.00 1.86 H new ATOM 0 HH12 ARG B 12 1.873 0.098 13.546 1.00 1.86 H new ATOM 0 HH21 ARG B 12 3.438 1.938 10.977 1.00 1.95 H new ATOM 0 HH22 ARG B 12 2.992 1.901 12.687 1.00 1.95 H new ATOM 1833 N CYS B 13 1.470 -2.745 7.322 1.00 0.42 N ATOM 1834 CA CYS B 13 0.711 -1.820 6.493 1.00 0.44 C ATOM 1835 C CYS B 13 -0.112 -2.631 5.513 1.00 0.30 C ATOM 1836 O CYS B 13 -1.298 -2.387 5.297 1.00 0.29 O ATOM 1837 CB CYS B 13 1.671 -0.887 5.735 1.00 0.57 C ATOM 1838 SG CYS B 13 1.610 -1.062 3.939 1.00 2.16 S ATOM 0 H CYS B 13 2.482 -2.655 7.232 1.00 0.42 H new ATOM 0 HA CYS B 13 0.057 -1.207 7.112 1.00 0.44 H new ATOM 0 HB2 CYS B 13 1.438 0.145 5.996 1.00 0.57 H new ATOM 0 HB3 CYS B 13 2.689 -1.079 6.073 1.00 0.57 H new ATOM 0 HG CYS B 13 0.409 -0.798 3.518 1.00 2.16 H new ATOM 1844 N ILE B 14 0.543 -3.637 4.980 1.00 0.26 N ATOM 1845 CA ILE B 14 -0.026 -4.515 3.995 1.00 0.24 C ATOM 1846 C ILE B 14 -1.138 -5.371 4.589 1.00 0.21 C ATOM 1847 O ILE B 14 -2.170 -5.595 3.957 1.00 0.23 O ATOM 1848 CB ILE B 14 1.094 -5.390 3.419 1.00 0.24 C ATOM 1849 CG1 ILE B 14 2.005 -4.540 2.530 1.00 0.25 C ATOM 1850 CG2 ILE B 14 0.529 -6.571 2.660 1.00 0.27 C ATOM 1851 CD1 ILE B 14 3.300 -5.225 2.178 1.00 0.27 C ATOM 0 H ILE B 14 1.505 -3.869 5.227 1.00 0.26 H new ATOM 0 HA ILE B 14 -0.477 -3.922 3.199 1.00 0.24 H new ATOM 0 HB ILE B 14 1.686 -5.792 4.241 1.00 0.24 H new ATOM 0 HG12 ILE B 14 1.474 -4.288 1.612 1.00 0.25 H new ATOM 0 HG13 ILE B 14 2.225 -3.601 3.039 1.00 0.25 H new ATOM 0 HG21 ILE B 14 1.346 -7.173 2.263 1.00 0.27 H new ATOM 0 HG22 ILE B 14 -0.077 -7.179 3.332 1.00 0.27 H new ATOM 0 HG23 ILE B 14 -0.090 -6.213 1.838 1.00 0.27 H new ATOM 0 HD11 ILE B 14 3.899 -4.569 1.547 1.00 0.27 H new ATOM 0 HD12 ILE B 14 3.851 -5.453 3.091 1.00 0.27 H new ATOM 0 HD13 ILE B 14 3.088 -6.150 1.642 1.00 0.27 H new ATOM 1863 N GLU B 15 -0.949 -5.804 5.825 1.00 0.24 N ATOM 1864 CA GLU B 15 -1.929 -6.636 6.494 1.00 0.28 C ATOM 1865 C GLU B 15 -3.084 -5.771 6.948 1.00 0.30 C ATOM 1866 O GLU B 15 -4.194 -6.252 7.176 1.00 0.34 O ATOM 1867 CB GLU B 15 -1.304 -7.349 7.682 1.00 0.32 C ATOM 1868 CG GLU B 15 -0.082 -8.172 7.317 1.00 0.32 C ATOM 1869 CD GLU B 15 0.497 -8.906 8.506 1.00 0.38 C ATOM 1870 OE1 GLU B 15 0.844 -8.248 9.509 1.00 1.06 O ATOM 1871 OE2 GLU B 15 0.587 -10.151 8.453 1.00 1.25 O ATOM 0 H GLU B 15 -0.123 -5.591 6.384 1.00 0.24 H new ATOM 0 HA GLU B 15 -2.292 -7.394 5.800 1.00 0.28 H new ATOM 0 HB2 GLU B 15 -1.024 -6.611 8.433 1.00 0.32 H new ATOM 0 HB3 GLU B 15 -2.049 -8.001 8.138 1.00 0.32 H new ATOM 0 HG2 GLU B 15 -0.351 -8.893 6.545 1.00 0.32 H new ATOM 0 HG3 GLU B 15 0.679 -7.518 6.892 1.00 0.32 H new ATOM 1878 N SER B 16 -2.807 -4.483 7.074 1.00 0.31 N ATOM 1879 CA SER B 16 -3.839 -3.515 7.348 1.00 0.37 C ATOM 1880 C SER B 16 -4.737 -3.379 6.137 1.00 0.28 C ATOM 1881 O SER B 16 -5.954 -3.323 6.263 1.00 0.28 O ATOM 1882 CB SER B 16 -3.226 -2.165 7.721 1.00 0.54 C ATOM 1883 OG SER B 16 -2.519 -2.247 8.944 1.00 0.97 O ATOM 0 H SER B 16 -1.870 -4.090 6.989 1.00 0.31 H new ATOM 0 HA SER B 16 -4.434 -3.857 8.195 1.00 0.37 H new ATOM 0 HB2 SER B 16 -2.552 -1.837 6.929 1.00 0.54 H new ATOM 0 HB3 SER B 16 -4.013 -1.415 7.802 1.00 0.54 H new ATOM 0 HG SER B 16 -1.644 -2.660 8.789 1.00 0.97 H new ATOM 1889 N LEU B 17 -4.122 -3.359 4.965 1.00 0.27 N ATOM 1890 CA LEU B 17 -4.856 -3.327 3.713 1.00 0.28 C ATOM 1891 C LEU B 17 -5.642 -4.610 3.549 1.00 0.27 C ATOM 1892 O LEU B 17 -6.758 -4.600 3.049 1.00 0.32 O ATOM 1893 CB LEU B 17 -3.892 -3.139 2.555 1.00 0.29 C ATOM 1894 CG LEU B 17 -2.965 -1.942 2.727 1.00 0.33 C ATOM 1895 CD1 LEU B 17 -1.934 -1.876 1.616 1.00 0.33 C ATOM 1896 CD2 LEU B 17 -3.782 -0.659 2.792 1.00 0.46 C ATOM 0 H LEU B 17 -3.108 -3.364 4.856 1.00 0.27 H new ATOM 0 HA LEU B 17 -5.554 -2.489 3.723 1.00 0.28 H new ATOM 0 HB2 LEU B 17 -3.291 -4.041 2.442 1.00 0.29 H new ATOM 0 HB3 LEU B 17 -4.462 -3.018 1.634 1.00 0.29 H new ATOM 0 HG LEU B 17 -2.421 -2.060 3.664 1.00 0.33 H new ATOM 0 HD11 LEU B 17 -1.289 -1.011 1.769 1.00 0.33 H new ATOM 0 HD12 LEU B 17 -1.331 -2.784 1.625 1.00 0.33 H new ATOM 0 HD13 LEU B 17 -2.440 -1.786 0.655 1.00 0.33 H new ATOM 0 HD21 LEU B 17 -3.113 0.193 2.915 1.00 0.46 H new ATOM 0 HD22 LEU B 17 -4.351 -0.543 1.870 1.00 0.46 H new ATOM 0 HD23 LEU B 17 -4.468 -0.707 3.638 1.00 0.46 H new ATOM 1908 N ILE B 18 -5.045 -5.712 3.986 1.00 0.27 N ATOM 1909 CA ILE B 18 -5.739 -6.980 4.050 1.00 0.30 C ATOM 1910 C ILE B 18 -6.978 -6.829 4.911 1.00 0.28 C ATOM 1911 O ILE B 18 -8.080 -7.126 4.477 1.00 0.30 O ATOM 1912 CB ILE B 18 -4.842 -8.098 4.639 1.00 0.36 C ATOM 1913 CG1 ILE B 18 -3.660 -8.392 3.712 1.00 0.62 C ATOM 1914 CG2 ILE B 18 -5.653 -9.362 4.889 1.00 0.47 C ATOM 1915 CD1 ILE B 18 -4.068 -8.888 2.343 1.00 1.37 C ATOM 0 H ILE B 18 -4.076 -5.747 4.302 1.00 0.27 H new ATOM 0 HA ILE B 18 -6.010 -7.266 3.034 1.00 0.30 H new ATOM 0 HB ILE B 18 -4.448 -7.749 5.593 1.00 0.36 H new ATOM 0 HG12 ILE B 18 -3.065 -7.486 3.598 1.00 0.62 H new ATOM 0 HG13 ILE B 18 -3.018 -9.137 4.182 1.00 0.62 H new ATOM 0 HG21 ILE B 18 -5.005 -10.134 5.302 1.00 0.47 H new ATOM 0 HG22 ILE B 18 -6.455 -9.146 5.594 1.00 0.47 H new ATOM 0 HG23 ILE B 18 -6.080 -9.712 3.949 1.00 0.47 H new ATOM 0 HD11 ILE B 18 -3.177 -9.075 1.743 1.00 1.37 H new ATOM 0 HD12 ILE B 18 -4.637 -9.812 2.445 1.00 1.37 H new ATOM 0 HD13 ILE B 18 -4.685 -8.135 1.852 1.00 1.37 H new ATOM 1927 N ALA B 19 -6.782 -6.321 6.119 1.00 0.25 N ATOM 1928 CA ALA B 19 -7.864 -6.154 7.072 1.00 0.25 C ATOM 1929 C ALA B 19 -8.976 -5.263 6.523 1.00 0.23 C ATOM 1930 O ALA B 19 -10.130 -5.684 6.462 1.00 0.27 O ATOM 1931 CB ALA B 19 -7.323 -5.603 8.378 1.00 0.28 C ATOM 0 H ALA B 19 -5.872 -6.015 6.463 1.00 0.25 H new ATOM 0 HA ALA B 19 -8.305 -7.134 7.255 1.00 0.25 H new ATOM 0 HB1 ALA B 19 -8.141 -5.480 9.088 1.00 0.28 H new ATOM 0 HB2 ALA B 19 -6.587 -6.295 8.788 1.00 0.28 H new ATOM 0 HB3 ALA B 19 -6.851 -4.637 8.198 1.00 0.28 H new ATOM 1937 N VAL B 20 -8.636 -4.038 6.111 1.00 0.20 N ATOM 1938 CA VAL B 20 -9.644 -3.117 5.592 1.00 0.22 C ATOM 1939 C VAL B 20 -10.296 -3.655 4.326 1.00 0.23 C ATOM 1940 O VAL B 20 -11.520 -3.589 4.180 1.00 0.27 O ATOM 1941 CB VAL B 20 -9.112 -1.681 5.341 1.00 0.27 C ATOM 1942 CG1 VAL B 20 -7.770 -1.692 4.636 1.00 0.87 C ATOM 1943 CG2 VAL B 20 -10.116 -0.884 4.530 1.00 0.87 C ATOM 0 H VAL B 20 -7.686 -3.668 6.127 1.00 0.20 H new ATOM 0 HA VAL B 20 -10.392 -3.045 6.381 1.00 0.22 H new ATOM 0 HB VAL B 20 -8.973 -1.208 6.313 1.00 0.27 H new ATOM 0 HG11 VAL B 20 -7.433 -0.667 4.479 1.00 0.87 H new ATOM 0 HG12 VAL B 20 -7.042 -2.224 5.248 1.00 0.87 H new ATOM 0 HG13 VAL B 20 -7.869 -2.193 3.673 1.00 0.87 H new ATOM 0 HG21 VAL B 20 -9.731 0.122 4.361 1.00 0.87 H new ATOM 0 HG22 VAL B 20 -10.281 -1.375 3.571 1.00 0.87 H new ATOM 0 HG23 VAL B 20 -11.058 -0.825 5.074 1.00 0.87 H new ATOM 1953 N PHE B 21 -9.498 -4.200 3.416 1.00 0.22 N ATOM 1954 CA PHE B 21 -10.063 -4.764 2.195 1.00 0.25 C ATOM 1955 C PHE B 21 -11.040 -5.880 2.533 1.00 0.29 C ATOM 1956 O PHE B 21 -12.156 -5.913 2.035 1.00 0.35 O ATOM 1957 CB PHE B 21 -8.973 -5.307 1.277 1.00 0.26 C ATOM 1958 CG PHE B 21 -9.514 -5.932 0.018 1.00 0.91 C ATOM 1959 CD1 PHE B 21 -9.932 -5.140 -1.038 1.00 1.59 C ATOM 1960 CD2 PHE B 21 -9.607 -7.311 -0.106 1.00 1.85 C ATOM 1961 CE1 PHE B 21 -10.435 -5.708 -2.193 1.00 2.17 C ATOM 1962 CE2 PHE B 21 -10.108 -7.885 -1.258 1.00 2.48 C ATOM 1963 CZ PHE B 21 -10.522 -7.083 -2.303 1.00 2.40 C ATOM 0 H PHE B 21 -8.483 -4.264 3.495 1.00 0.22 H new ATOM 0 HA PHE B 21 -10.587 -3.963 1.674 1.00 0.25 H new ATOM 0 HB2 PHE B 21 -8.295 -4.496 1.010 1.00 0.26 H new ATOM 0 HB3 PHE B 21 -8.386 -6.048 1.820 1.00 0.26 H new ATOM 0 HD1 PHE B 21 -9.864 -4.065 -0.958 1.00 1.59 H new ATOM 0 HD2 PHE B 21 -9.284 -7.943 0.708 1.00 1.85 H new ATOM 0 HE1 PHE B 21 -10.760 -5.079 -3.008 1.00 2.17 H new ATOM 0 HE2 PHE B 21 -10.176 -8.960 -1.341 1.00 2.48 H new ATOM 0 HZ PHE B 21 -10.913 -7.530 -3.205 1.00 2.40 H new ATOM 1973 N GLN B 22 -10.613 -6.767 3.411 1.00 0.30 N ATOM 1974 CA GLN B 22 -11.376 -7.948 3.767 1.00 0.37 C ATOM 1975 C GLN B 22 -12.659 -7.586 4.504 1.00 0.36 C ATOM 1976 O GLN B 22 -13.694 -8.211 4.297 1.00 0.44 O ATOM 1977 CB GLN B 22 -10.498 -8.862 4.621 1.00 0.47 C ATOM 1978 CG GLN B 22 -9.493 -9.669 3.818 1.00 1.11 C ATOM 1979 CD GLN B 22 -10.133 -10.727 2.946 1.00 1.98 C ATOM 1980 OE1 GLN B 22 -11.178 -11.277 3.275 1.00 2.68 O ATOM 1981 NE2 GLN B 22 -9.503 -11.022 1.821 1.00 2.65 N ATOM 0 H GLN B 22 -9.722 -6.688 3.900 1.00 0.30 H new ATOM 0 HA GLN B 22 -11.671 -8.467 2.855 1.00 0.37 H new ATOM 0 HB2 GLN B 22 -9.963 -8.257 5.353 1.00 0.47 H new ATOM 0 HB3 GLN B 22 -11.137 -9.546 5.179 1.00 0.47 H new ATOM 0 HG2 GLN B 22 -8.914 -8.992 3.190 1.00 1.11 H new ATOM 0 HG3 GLN B 22 -8.792 -10.147 4.502 1.00 1.11 H new ATOM 0 HE21 GLN B 22 -8.635 -10.542 1.582 1.00 2.65 H new ATOM 0 HE22 GLN B 22 -9.885 -11.729 1.193 1.00 2.65 H new ATOM 1990 N LYS B 23 -12.602 -6.559 5.339 1.00 0.35 N ATOM 1991 CA LYS B 23 -13.757 -6.198 6.145 1.00 0.39 C ATOM 1992 C LYS B 23 -14.828 -5.491 5.310 1.00 0.41 C ATOM 1993 O LYS B 23 -16.023 -5.630 5.575 1.00 0.49 O ATOM 1994 CB LYS B 23 -13.341 -5.348 7.356 1.00 0.41 C ATOM 1995 CG LYS B 23 -12.763 -4.002 7.018 1.00 0.42 C ATOM 1996 CD LYS B 23 -11.954 -3.466 8.182 1.00 0.63 C ATOM 1997 CE LYS B 23 -11.790 -1.972 8.076 1.00 0.64 C ATOM 1998 NZ LYS B 23 -10.687 -1.453 8.932 1.00 0.91 N ATOM 0 H LYS B 23 -11.781 -5.969 5.475 1.00 0.35 H new ATOM 0 HA LYS B 23 -14.197 -7.122 6.521 1.00 0.39 H new ATOM 0 HB2 LYS B 23 -14.212 -5.203 7.995 1.00 0.41 H new ATOM 0 HB3 LYS B 23 -12.608 -5.906 7.938 1.00 0.41 H new ATOM 0 HG2 LYS B 23 -12.130 -4.083 6.134 1.00 0.42 H new ATOM 0 HG3 LYS B 23 -13.565 -3.306 6.774 1.00 0.42 H new ATOM 0 HD2 LYS B 23 -12.449 -3.716 9.120 1.00 0.63 H new ATOM 0 HD3 LYS B 23 -10.974 -3.944 8.201 1.00 0.63 H new ATOM 0 HE2 LYS B 23 -11.595 -1.705 7.037 1.00 0.64 H new ATOM 0 HE3 LYS B 23 -12.724 -1.487 8.360 1.00 0.64 H new ATOM 0 HZ1 LYS B 23 -10.425 -0.497 8.618 1.00 0.91 H new ATOM 0 HZ2 LYS B 23 -11.003 -1.418 9.922 1.00 0.91 H new ATOM 0 HZ3 LYS B 23 -9.862 -2.081 8.854 1.00 0.91 H new ATOM 2012 N TYR B 24 -14.412 -4.723 4.310 1.00 0.36 N ATOM 2013 CA TYR B 24 -15.368 -4.039 3.444 1.00 0.39 C ATOM 2014 C TYR B 24 -15.791 -4.894 2.264 1.00 0.34 C ATOM 2015 O TYR B 24 -16.979 -5.067 2.012 1.00 0.40 O ATOM 2016 CB TYR B 24 -14.822 -2.696 2.981 1.00 0.46 C ATOM 2017 CG TYR B 24 -14.903 -1.661 4.074 1.00 0.86 C ATOM 2018 CD1 TYR B 24 -16.102 -1.013 4.343 1.00 1.52 C ATOM 2019 CD2 TYR B 24 -13.805 -1.364 4.868 1.00 1.66 C ATOM 2020 CE1 TYR B 24 -16.203 -0.093 5.365 1.00 1.83 C ATOM 2021 CE2 TYR B 24 -13.902 -0.452 5.899 1.00 1.99 C ATOM 2022 CZ TYR B 24 -15.102 0.182 6.143 1.00 1.71 C ATOM 2023 OH TYR B 24 -15.206 1.077 7.181 1.00 2.15 O ATOM 0 H TYR B 24 -13.432 -4.559 4.079 1.00 0.36 H new ATOM 0 HA TYR B 24 -16.263 -3.857 4.039 1.00 0.39 H new ATOM 0 HB2 TYR B 24 -13.785 -2.813 2.665 1.00 0.46 H new ATOM 0 HB3 TYR B 24 -15.384 -2.354 2.112 1.00 0.46 H new ATOM 0 HD1 TYR B 24 -16.971 -1.234 3.741 1.00 1.52 H new ATOM 0 HD2 TYR B 24 -12.861 -1.853 4.677 1.00 1.66 H new ATOM 0 HE1 TYR B 24 -17.141 0.409 5.554 1.00 1.83 H new ATOM 0 HE2 TYR B 24 -13.040 -0.235 6.513 1.00 1.99 H new ATOM 0 HH TYR B 24 -15.410 1.967 6.826 1.00 2.15 H new ATOM 2033 N ALA B 25 -14.821 -5.445 1.554 1.00 0.29 N ATOM 2034 CA ALA B 25 -15.099 -6.278 0.396 1.00 0.34 C ATOM 2035 C ALA B 25 -15.767 -7.578 0.826 1.00 0.47 C ATOM 2036 O ALA B 25 -16.373 -8.286 0.024 1.00 0.58 O ATOM 2037 CB ALA B 25 -13.811 -6.564 -0.356 1.00 0.37 C ATOM 0 H ALA B 25 -13.829 -5.330 1.761 1.00 0.29 H new ATOM 0 HA ALA B 25 -15.781 -5.746 -0.267 1.00 0.34 H new ATOM 0 HB1 ALA B 25 -14.027 -7.189 -1.223 1.00 0.37 H new ATOM 0 HB2 ALA B 25 -13.367 -5.625 -0.687 1.00 0.37 H new ATOM 0 HB3 ALA B 25 -13.114 -7.084 0.301 1.00 0.37 H new ATOM 2043 N GLY B 26 -15.654 -7.876 2.111 1.00 0.50 N ATOM 2044 CA GLY B 26 -16.277 -9.058 2.665 1.00 0.64 C ATOM 2045 C GLY B 26 -17.790 -8.961 2.704 1.00 0.76 C ATOM 2046 O GLY B 26 -18.478 -9.952 2.951 1.00 0.96 O ATOM 0 H GLY B 26 -15.136 -7.313 2.786 1.00 0.50 H new ATOM 0 HA2 GLY B 26 -15.988 -9.927 2.073 1.00 0.64 H new ATOM 0 HA3 GLY B 26 -15.902 -9.221 3.675 1.00 0.64 H new ATOM 2147 N THR B 33 -14.007 -8.618 -4.287 1.00 0.66 N ATOM 2148 CA THR B 33 -14.008 -7.262 -4.812 1.00 0.45 C ATOM 2149 C THR B 33 -14.820 -6.347 -3.911 1.00 0.37 C ATOM 2150 O THR B 33 -15.868 -6.728 -3.392 1.00 0.44 O ATOM 2151 CB THR B 33 -14.592 -7.226 -6.238 1.00 0.45 C ATOM 2152 OG1 THR B 33 -14.999 -8.541 -6.638 1.00 0.66 O ATOM 2153 CG2 THR B 33 -13.584 -6.682 -7.241 1.00 0.43 C ATOM 0 HA THR B 33 -12.975 -6.915 -4.845 1.00 0.45 H new ATOM 0 HB THR B 33 -15.455 -6.561 -6.224 1.00 0.45 H new ATOM 0 HG1 THR B 33 -15.030 -9.127 -5.853 1.00 0.66 H new ATOM 0 HG21 THR B 33 -14.030 -6.671 -8.236 1.00 0.43 H new ATOM 0 HG22 THR B 33 -13.301 -5.668 -6.959 1.00 0.43 H new ATOM 0 HG23 THR B 33 -12.698 -7.317 -7.248 1.00 0.43 H new ATOM 2161 N LEU B 34 -14.302 -5.152 -3.717 1.00 0.32 N ATOM 2162 CA LEU B 34 -14.957 -4.127 -2.932 1.00 0.30 C ATOM 2163 C LEU B 34 -15.876 -3.347 -3.844 1.00 0.31 C ATOM 2164 O LEU B 34 -15.422 -2.547 -4.663 1.00 0.34 O ATOM 2165 CB LEU B 34 -13.868 -3.232 -2.333 1.00 0.29 C ATOM 2166 CG LEU B 34 -13.920 -3.019 -0.821 1.00 0.29 C ATOM 2167 CD1 LEU B 34 -12.559 -2.588 -0.296 1.00 0.45 C ATOM 2168 CD2 LEU B 34 -14.965 -1.985 -0.457 1.00 0.28 C ATOM 0 H LEU B 34 -13.404 -4.862 -4.104 1.00 0.32 H new ATOM 0 HA LEU B 34 -15.553 -4.548 -2.122 1.00 0.30 H new ATOM 0 HB2 LEU B 34 -12.897 -3.660 -2.585 1.00 0.29 H new ATOM 0 HB3 LEU B 34 -13.922 -2.257 -2.818 1.00 0.29 H new ATOM 0 HG LEU B 34 -14.194 -3.967 -0.358 1.00 0.29 H new ATOM 0 HD11 LEU B 34 -12.615 -2.441 0.783 1.00 0.45 H new ATOM 0 HD12 LEU B 34 -11.822 -3.359 -0.519 1.00 0.45 H new ATOM 0 HD13 LEU B 34 -12.263 -1.654 -0.775 1.00 0.45 H new ATOM 0 HD21 LEU B 34 -14.983 -1.851 0.625 1.00 0.28 H new ATOM 0 HD22 LEU B 34 -14.721 -1.037 -0.936 1.00 0.28 H new ATOM 0 HD23 LEU B 34 -15.944 -2.322 -0.797 1.00 0.28 H new ATOM 2180 N SER B 35 -17.167 -3.614 -3.721 1.00 0.31 N ATOM 2181 CA SER B 35 -18.150 -3.032 -4.609 1.00 0.33 C ATOM 2182 C SER B 35 -18.163 -1.517 -4.460 1.00 0.32 C ATOM 2183 O SER B 35 -17.694 -0.990 -3.453 1.00 0.30 O ATOM 2184 CB SER B 35 -19.532 -3.628 -4.324 1.00 0.37 C ATOM 2185 OG SER B 35 -20.506 -3.148 -5.236 1.00 0.40 O ATOM 0 H SER B 35 -17.555 -4.234 -3.010 1.00 0.31 H new ATOM 0 HA SER B 35 -17.884 -3.266 -5.640 1.00 0.33 H new ATOM 0 HB2 SER B 35 -19.480 -4.715 -4.385 1.00 0.37 H new ATOM 0 HB3 SER B 35 -19.833 -3.380 -3.306 1.00 0.37 H new ATOM 0 HG SER B 35 -21.375 -3.549 -5.027 1.00 0.40 H new ATOM 2191 N LYS B 36 -18.685 -0.825 -5.467 1.00 0.38 N ATOM 2192 CA LYS B 36 -18.651 0.631 -5.496 1.00 0.42 C ATOM 2193 C LYS B 36 -19.153 1.221 -4.182 1.00 0.36 C ATOM 2194 O LYS B 36 -18.425 1.948 -3.517 1.00 0.35 O ATOM 2195 CB LYS B 36 -19.468 1.167 -6.673 1.00 0.53 C ATOM 2196 CG LYS B 36 -19.377 2.675 -6.836 1.00 0.62 C ATOM 2197 CD LYS B 36 -19.984 3.134 -8.150 1.00 0.66 C ATOM 2198 CE LYS B 36 -19.843 4.638 -8.330 1.00 0.61 C ATOM 2199 NZ LYS B 36 -20.373 5.096 -9.641 1.00 0.65 N ATOM 0 H LYS B 36 -19.138 -1.251 -6.276 1.00 0.38 H new ATOM 0 HA LYS B 36 -17.613 0.938 -5.627 1.00 0.42 H new ATOM 0 HB2 LYS B 36 -19.125 0.689 -7.591 1.00 0.53 H new ATOM 0 HB3 LYS B 36 -20.513 0.886 -6.538 1.00 0.53 H new ATOM 0 HG2 LYS B 36 -19.891 3.163 -6.007 1.00 0.62 H new ATOM 0 HG3 LYS B 36 -18.333 2.984 -6.790 1.00 0.62 H new ATOM 0 HD2 LYS B 36 -19.496 2.619 -8.978 1.00 0.66 H new ATOM 0 HD3 LYS B 36 -21.038 2.859 -8.181 1.00 0.66 H new ATOM 0 HE2 LYS B 36 -20.372 5.150 -7.526 1.00 0.61 H new ATOM 0 HE3 LYS B 36 -18.792 4.916 -8.247 1.00 0.61 H new ATOM 0 HZ1 LYS B 36 -20.050 6.067 -9.826 1.00 0.65 H new ATOM 0 HZ2 LYS B 36 -20.028 4.467 -10.394 1.00 0.65 H new ATOM 0 HZ3 LYS B 36 -21.413 5.075 -9.622 1.00 0.65 H new ATOM 2213 N THR B 37 -20.369 0.866 -3.790 1.00 0.37 N ATOM 2214 CA THR B 37 -20.966 1.383 -2.561 1.00 0.38 C ATOM 2215 C THR B 37 -20.171 0.957 -1.323 1.00 0.36 C ATOM 2216 O THR B 37 -20.093 1.690 -0.336 1.00 0.38 O ATOM 2217 CB THR B 37 -22.417 0.908 -2.409 1.00 0.44 C ATOM 2218 OG1 THR B 37 -23.148 1.190 -3.612 1.00 0.47 O ATOM 2219 CG2 THR B 37 -23.080 1.604 -1.231 1.00 0.49 C ATOM 0 H THR B 37 -20.965 0.219 -4.306 1.00 0.37 H new ATOM 0 HA THR B 37 -20.945 2.470 -2.637 1.00 0.38 H new ATOM 0 HB THR B 37 -22.418 -0.167 -2.228 1.00 0.44 H new ATOM 0 HG1 THR B 37 -24.074 0.884 -3.512 1.00 0.47 H new ATOM 0 HG21 THR B 37 -24.109 1.257 -1.136 1.00 0.49 H new ATOM 0 HG22 THR B 37 -22.533 1.373 -0.317 1.00 0.49 H new ATOM 0 HG23 THR B 37 -23.074 2.682 -1.395 1.00 0.49 H new ATOM 2227 N GLU B 38 -19.563 -0.216 -1.389 1.00 0.34 N ATOM 2228 CA GLU B 38 -18.778 -0.728 -0.277 1.00 0.33 C ATOM 2229 C GLU B 38 -17.491 0.063 -0.166 1.00 0.33 C ATOM 2230 O GLU B 38 -16.963 0.278 0.925 1.00 0.48 O ATOM 2231 CB GLU B 38 -18.482 -2.206 -0.470 1.00 0.34 C ATOM 2232 CG GLU B 38 -19.737 -3.033 -0.666 1.00 0.47 C ATOM 2233 CD GLU B 38 -19.448 -4.489 -0.935 1.00 1.27 C ATOM 2234 OE1 GLU B 38 -18.400 -4.788 -1.541 1.00 1.96 O ATOM 2235 OE2 GLU B 38 -20.284 -5.334 -0.550 1.00 2.16 O ATOM 0 H GLU B 38 -19.598 -0.832 -2.201 1.00 0.34 H new ATOM 0 HA GLU B 38 -19.347 -0.617 0.646 1.00 0.33 H new ATOM 0 HB2 GLU B 38 -17.830 -2.332 -1.334 1.00 0.34 H new ATOM 0 HB3 GLU B 38 -17.937 -2.580 0.397 1.00 0.34 H new ATOM 0 HG2 GLU B 38 -20.362 -2.951 0.223 1.00 0.47 H new ATOM 0 HG3 GLU B 38 -20.310 -2.622 -1.498 1.00 0.47 H new ATOM 2242 N PHE B 39 -17.006 0.517 -1.314 1.00 0.29 N ATOM 2243 CA PHE B 39 -15.809 1.319 -1.368 1.00 0.31 C ATOM 2244 C PHE B 39 -16.159 2.730 -0.962 1.00 0.28 C ATOM 2245 O PHE B 39 -15.349 3.432 -0.379 1.00 0.27 O ATOM 2246 CB PHE B 39 -15.216 1.301 -2.775 1.00 0.53 C ATOM 2247 CG PHE B 39 -13.718 1.383 -2.792 1.00 0.81 C ATOM 2248 CD1 PHE B 39 -12.957 0.285 -2.438 1.00 1.76 C ATOM 2249 CD2 PHE B 39 -13.070 2.549 -3.158 1.00 1.78 C ATOM 2250 CE1 PHE B 39 -11.580 0.343 -2.449 1.00 2.61 C ATOM 2251 CE2 PHE B 39 -11.693 2.617 -3.169 1.00 2.66 C ATOM 2252 CZ PHE B 39 -10.947 1.510 -2.815 1.00 2.87 C ATOM 0 H PHE B 39 -17.433 0.337 -2.223 1.00 0.29 H new ATOM 0 HA PHE B 39 -15.062 0.912 -0.686 1.00 0.31 H new ATOM 0 HB2 PHE B 39 -15.528 0.387 -3.281 1.00 0.53 H new ATOM 0 HB3 PHE B 39 -15.625 2.136 -3.344 1.00 0.53 H new ATOM 0 HD1 PHE B 39 -13.449 -0.632 -2.148 1.00 1.76 H new ATOM 0 HD2 PHE B 39 -13.649 3.416 -3.438 1.00 1.78 H new ATOM 0 HE1 PHE B 39 -10.999 -0.524 -2.171 1.00 2.61 H new ATOM 0 HE2 PHE B 39 -11.199 3.534 -3.454 1.00 2.66 H new ATOM 0 HZ PHE B 39 -9.868 1.559 -2.825 1.00 2.87 H new ATOM 2262 N LEU B 40 -17.382 3.135 -1.279 1.00 0.33 N ATOM 2263 CA LEU B 40 -17.908 4.406 -0.817 1.00 0.37 C ATOM 2264 C LEU B 40 -17.913 4.411 0.704 1.00 0.40 C ATOM 2265 O LEU B 40 -17.513 5.388 1.336 1.00 0.43 O ATOM 2266 CB LEU B 40 -19.328 4.631 -1.343 1.00 0.43 C ATOM 2267 CG LEU B 40 -19.512 4.502 -2.860 1.00 0.50 C ATOM 2268 CD1 LEU B 40 -20.821 5.129 -3.308 1.00 1.07 C ATOM 2269 CD2 LEU B 40 -18.340 5.098 -3.610 1.00 0.46 C ATOM 0 H LEU B 40 -18.028 2.597 -1.857 1.00 0.33 H new ATOM 0 HA LEU B 40 -17.277 5.212 -1.192 1.00 0.37 H new ATOM 0 HB2 LEU B 40 -19.992 3.918 -0.855 1.00 0.43 H new ATOM 0 HB3 LEU B 40 -19.652 5.627 -1.041 1.00 0.43 H new ATOM 0 HG LEU B 40 -19.551 3.439 -3.097 1.00 0.50 H new ATOM 0 HD11 LEU B 40 -20.925 5.023 -4.388 1.00 1.07 H new ATOM 0 HD12 LEU B 40 -21.653 4.628 -2.813 1.00 1.07 H new ATOM 0 HD13 LEU B 40 -20.826 6.187 -3.045 1.00 1.07 H new ATOM 0 HD21 LEU B 40 -18.502 4.990 -4.683 1.00 0.46 H new ATOM 0 HD22 LEU B 40 -18.249 6.155 -3.361 1.00 0.46 H new ATOM 0 HD23 LEU B 40 -17.425 4.578 -3.327 1.00 0.46 H new ATOM 2281 N SER B 41 -18.366 3.298 1.273 1.00 0.42 N ATOM 2282 CA SER B 41 -18.313 3.087 2.709 1.00 0.52 C ATOM 2283 C SER B 41 -16.867 3.178 3.192 1.00 0.45 C ATOM 2284 O SER B 41 -16.544 4.020 4.022 1.00 0.47 O ATOM 2285 CB SER B 41 -18.925 1.729 3.068 1.00 0.67 C ATOM 2286 OG SER B 41 -19.078 1.588 4.470 1.00 1.40 O ATOM 0 H SER B 41 -18.777 2.523 0.752 1.00 0.42 H new ATOM 0 HA SER B 41 -18.894 3.863 3.208 1.00 0.52 H new ATOM 0 HB2 SER B 41 -19.895 1.625 2.582 1.00 0.67 H new ATOM 0 HB3 SER B 41 -18.290 0.929 2.687 1.00 0.67 H new ATOM 0 HG SER B 41 -19.472 0.713 4.670 1.00 1.40 H new ATOM 2292 N PHE B 42 -16.006 2.330 2.626 1.00 0.42 N ATOM 2293 CA PHE B 42 -14.565 2.357 2.893 1.00 0.46 C ATOM 2294 C PHE B 42 -14.020 3.779 2.849 1.00 0.29 C ATOM 2295 O PHE B 42 -13.373 4.241 3.774 1.00 0.42 O ATOM 2296 CB PHE B 42 -13.847 1.531 1.830 1.00 0.80 C ATOM 2297 CG PHE B 42 -12.379 1.823 1.725 1.00 1.89 C ATOM 2298 CD1 PHE B 42 -11.534 1.635 2.802 1.00 2.69 C ATOM 2299 CD2 PHE B 42 -11.853 2.314 0.546 1.00 2.77 C ATOM 2300 CE1 PHE B 42 -10.190 1.930 2.700 1.00 3.73 C ATOM 2301 CE2 PHE B 42 -10.514 2.613 0.441 1.00 3.80 C ATOM 2302 CZ PHE B 42 -9.680 2.421 1.520 1.00 4.13 C ATOM 0 H PHE B 42 -16.288 1.603 1.968 1.00 0.42 H new ATOM 0 HA PHE B 42 -14.395 1.947 3.889 1.00 0.46 H new ATOM 0 HB2 PHE B 42 -13.982 0.473 2.053 1.00 0.80 H new ATOM 0 HB3 PHE B 42 -14.315 1.715 0.863 1.00 0.80 H new ATOM 0 HD1 PHE B 42 -11.929 1.254 3.732 1.00 2.69 H new ATOM 0 HD2 PHE B 42 -12.501 2.465 -0.305 1.00 2.77 H new ATOM 0 HE1 PHE B 42 -9.538 1.775 3.547 1.00 3.73 H new ATOM 0 HE2 PHE B 42 -10.117 2.998 -0.487 1.00 3.80 H new ATOM 0 HZ PHE B 42 -8.629 2.655 1.440 1.00 4.13 H new ATOM 2312 N MET B 43 -14.281 4.457 1.755 1.00 0.26 N ATOM 2313 CA MET B 43 -13.715 5.775 1.521 1.00 0.29 C ATOM 2314 C MET B 43 -14.230 6.840 2.483 1.00 0.29 C ATOM 2315 O MET B 43 -13.512 7.783 2.783 1.00 0.37 O ATOM 2316 CB MET B 43 -13.964 6.209 0.086 1.00 0.38 C ATOM 2317 CG MET B 43 -13.013 5.562 -0.912 1.00 0.62 C ATOM 2318 SD MET B 43 -13.350 6.011 -2.624 1.00 1.22 S ATOM 2319 CE MET B 43 -14.986 5.323 -2.834 1.00 2.25 C ATOM 0 H MET B 43 -14.885 4.119 1.006 1.00 0.26 H new ATOM 0 HA MET B 43 -12.644 5.682 1.704 1.00 0.29 H new ATOM 0 HB2 MET B 43 -14.990 5.963 -0.188 1.00 0.38 H new ATOM 0 HB3 MET B 43 -13.868 7.293 0.019 1.00 0.38 H new ATOM 0 HG2 MET B 43 -11.991 5.848 -0.665 1.00 0.62 H new ATOM 0 HG3 MET B 43 -13.075 4.479 -0.810 1.00 0.62 H new ATOM 0 HE1 MET B 43 -15.292 5.424 -3.875 1.00 2.25 H new ATOM 0 HE2 MET B 43 -14.975 4.268 -2.560 1.00 2.25 H new ATOM 0 HE3 MET B 43 -15.690 5.857 -2.195 1.00 2.25 H new ATOM 2329 N ASN B 44 -15.452 6.722 2.975 1.00 0.29 N ATOM 2330 CA ASN B 44 -15.960 7.758 3.872 1.00 0.33 C ATOM 2331 C ASN B 44 -15.623 7.452 5.313 1.00 0.32 C ATOM 2332 O ASN B 44 -15.740 8.317 6.179 1.00 0.39 O ATOM 2333 CB ASN B 44 -17.463 7.966 3.739 1.00 0.42 C ATOM 2334 CG ASN B 44 -18.309 6.927 4.452 1.00 1.05 C ATOM 2335 OD1 ASN B 44 -18.605 7.060 5.640 1.00 1.53 O ATOM 2336 ND2 ASN B 44 -18.745 5.915 3.731 1.00 1.83 N ATOM 0 H ASN B 44 -16.093 5.953 2.782 1.00 0.29 H new ATOM 0 HA ASN B 44 -15.464 8.681 3.571 1.00 0.33 H new ATOM 0 HB2 ASN B 44 -17.716 8.952 4.129 1.00 0.42 H new ATOM 0 HB3 ASN B 44 -17.725 7.965 2.681 1.00 0.42 H new ATOM 0 HD21 ASN B 44 -19.348 5.210 4.154 1.00 1.83 H new ATOM 0 HD22 ASN B 44 -18.480 5.837 2.749 1.00 1.83 H new ATOM 2343 N THR B 45 -15.225 6.228 5.575 1.00 0.27 N ATOM 2344 CA THR B 45 -14.885 5.826 6.928 1.00 0.29 C ATOM 2345 C THR B 45 -13.382 5.729 7.099 1.00 0.28 C ATOM 2346 O THR B 45 -12.780 6.436 7.909 1.00 0.34 O ATOM 2347 CB THR B 45 -15.533 4.478 7.264 1.00 0.30 C ATOM 2348 OG1 THR B 45 -15.200 3.519 6.257 1.00 0.34 O ATOM 2349 CG2 THR B 45 -17.042 4.631 7.354 1.00 0.34 C ATOM 0 H THR B 45 -15.128 5.493 4.874 1.00 0.27 H new ATOM 0 HA THR B 45 -15.266 6.585 7.611 1.00 0.29 H new ATOM 0 HB THR B 45 -15.157 4.133 8.227 1.00 0.30 H new ATOM 0 HG1 THR B 45 -15.895 3.515 5.566 1.00 0.34 H new ATOM 0 HG21 THR B 45 -17.492 3.667 7.593 1.00 0.34 H new ATOM 0 HG22 THR B 45 -17.289 5.350 8.135 1.00 0.34 H new ATOM 0 HG23 THR B 45 -17.429 4.985 6.399 1.00 0.34 H new ATOM 2357 N GLU B 46 -12.788 4.873 6.296 1.00 0.23 N ATOM 2358 CA GLU B 46 -11.369 4.624 6.343 1.00 0.25 C ATOM 2359 C GLU B 46 -10.597 5.702 5.584 1.00 0.25 C ATOM 2360 O GLU B 46 -9.394 5.827 5.741 1.00 0.34 O ATOM 2361 CB GLU B 46 -11.059 3.244 5.766 1.00 0.29 C ATOM 2362 CG GLU B 46 -11.696 2.090 6.531 1.00 0.57 C ATOM 2363 CD GLU B 46 -11.136 1.908 7.930 1.00 1.17 C ATOM 2364 OE1 GLU B 46 -11.635 2.558 8.871 1.00 1.68 O ATOM 2365 OE2 GLU B 46 -10.212 1.087 8.106 1.00 1.70 O ATOM 0 H GLU B 46 -13.282 4.328 5.589 1.00 0.23 H new ATOM 0 HA GLU B 46 -11.052 4.653 7.385 1.00 0.25 H new ATOM 0 HB2 GLU B 46 -11.399 3.211 4.731 1.00 0.29 H new ATOM 0 HB3 GLU B 46 -9.978 3.103 5.751 1.00 0.29 H new ATOM 0 HG2 GLU B 46 -12.771 2.258 6.598 1.00 0.57 H new ATOM 0 HG3 GLU B 46 -11.552 1.168 5.968 1.00 0.57 H new ATOM 2372 N LEU B 47 -11.268 6.480 4.745 1.00 0.25 N ATOM 2373 CA LEU B 47 -10.575 7.574 4.070 1.00 0.26 C ATOM 2374 C LEU B 47 -11.312 8.887 4.230 1.00 0.28 C ATOM 2375 O LEU B 47 -11.179 9.788 3.403 1.00 0.30 O ATOM 2376 CB LEU B 47 -10.373 7.279 2.591 1.00 0.26 C ATOM 2377 CG LEU B 47 -9.513 6.061 2.288 1.00 0.27 C ATOM 2378 CD1 LEU B 47 -9.439 5.838 0.794 1.00 0.32 C ATOM 2379 CD2 LEU B 47 -8.122 6.239 2.880 1.00 0.28 C ATOM 0 H LEU B 47 -12.258 6.382 4.519 1.00 0.25 H new ATOM 0 HA LEU B 47 -9.599 7.663 4.546 1.00 0.26 H new ATOM 0 HB2 LEU B 47 -11.350 7.139 2.127 1.00 0.26 H new ATOM 0 HB3 LEU B 47 -9.919 8.151 2.121 1.00 0.26 H new ATOM 0 HG LEU B 47 -9.967 5.182 2.745 1.00 0.27 H new ATOM 0 HD11 LEU B 47 -8.821 4.964 0.587 1.00 0.32 H new ATOM 0 HD12 LEU B 47 -10.442 5.675 0.400 1.00 0.32 H new ATOM 0 HD13 LEU B 47 -9.000 6.714 0.317 1.00 0.32 H new ATOM 0 HD21 LEU B 47 -7.516 5.361 2.656 1.00 0.28 H new ATOM 0 HD22 LEU B 47 -7.653 7.123 2.448 1.00 0.28 H new ATOM 0 HD23 LEU B 47 -8.199 6.361 3.960 1.00 0.28 H new ATOM 2391 N ALA B 48 -12.120 8.972 5.274 1.00 0.32 N ATOM 2392 CA ALA B 48 -12.779 10.213 5.651 1.00 0.37 C ATOM 2393 C ALA B 48 -11.822 11.405 5.629 1.00 0.39 C ATOM 2394 O ALA B 48 -12.217 12.513 5.267 1.00 0.44 O ATOM 2395 CB ALA B 48 -13.388 10.054 7.027 1.00 0.41 C ATOM 0 H ALA B 48 -12.338 8.184 5.884 1.00 0.32 H new ATOM 0 HA ALA B 48 -13.559 10.419 4.918 1.00 0.37 H new ATOM 0 HB1 ALA B 48 -13.883 10.981 7.315 1.00 0.41 H new ATOM 0 HB2 ALA B 48 -14.116 9.243 7.011 1.00 0.41 H new ATOM 0 HB3 ALA B 48 -12.604 9.823 7.748 1.00 0.41 H new ATOM 2401 N ALA B 49 -10.567 11.164 5.999 1.00 0.38 N ATOM 2402 CA ALA B 49 -9.536 12.197 5.990 1.00 0.41 C ATOM 2403 C ALA B 49 -9.412 12.844 4.618 1.00 0.41 C ATOM 2404 O ALA B 49 -9.247 14.057 4.495 1.00 0.47 O ATOM 2405 CB ALA B 49 -8.206 11.593 6.390 1.00 0.44 C ATOM 0 H ALA B 49 -10.237 10.251 6.312 1.00 0.38 H new ATOM 0 HA ALA B 49 -9.823 12.969 6.705 1.00 0.41 H new ATOM 0 HB1 ALA B 49 -7.438 12.367 6.382 1.00 0.44 H new ATOM 0 HB2 ALA B 49 -8.285 11.170 7.391 1.00 0.44 H new ATOM 0 HB3 ALA B 49 -7.936 10.807 5.684 1.00 0.44 H new ATOM 2411 N PHE B 50 -9.484 12.019 3.594 1.00 0.36 N ATOM 2412 CA PHE B 50 -9.397 12.479 2.222 1.00 0.37 C ATOM 2413 C PHE B 50 -10.771 12.912 1.728 1.00 0.38 C ATOM 2414 O PHE B 50 -10.961 14.040 1.267 1.00 0.44 O ATOM 2415 CB PHE B 50 -8.861 11.343 1.351 1.00 0.35 C ATOM 2416 CG PHE B 50 -8.657 11.715 -0.093 1.00 0.70 C ATOM 2417 CD1 PHE B 50 -7.527 12.415 -0.488 1.00 1.33 C ATOM 2418 CD2 PHE B 50 -9.591 11.361 -1.055 1.00 1.63 C ATOM 2419 CE1 PHE B 50 -7.335 12.754 -1.814 1.00 1.67 C ATOM 2420 CE2 PHE B 50 -9.403 11.697 -2.381 1.00 2.10 C ATOM 2421 CZ PHE B 50 -8.273 12.394 -2.761 1.00 1.80 C ATOM 0 H PHE B 50 -9.604 11.011 3.689 1.00 0.36 H new ATOM 0 HA PHE B 50 -8.723 13.334 2.164 1.00 0.37 H new ATOM 0 HB2 PHE B 50 -7.912 11.001 1.764 1.00 0.35 H new ATOM 0 HB3 PHE B 50 -9.553 10.503 1.404 1.00 0.35 H new ATOM 0 HD1 PHE B 50 -6.789 12.698 0.248 1.00 1.33 H new ATOM 0 HD2 PHE B 50 -10.476 10.816 -0.763 1.00 1.63 H new ATOM 0 HE1 PHE B 50 -6.451 13.300 -2.109 1.00 1.67 H new ATOM 0 HE2 PHE B 50 -10.139 11.415 -3.120 1.00 2.10 H new ATOM 0 HZ PHE B 50 -8.123 12.657 -3.798 1.00 1.80 H new ATOM 2431 N THR B 51 -11.724 12.006 1.874 1.00 0.36 N ATOM 2432 CA THR B 51 -13.064 12.171 1.341 1.00 0.40 C ATOM 2433 C THR B 51 -13.772 13.400 1.902 1.00 0.45 C ATOM 2434 O THR B 51 -14.271 14.237 1.153 1.00 0.53 O ATOM 2435 CB THR B 51 -13.898 10.920 1.662 1.00 0.39 C ATOM 2436 OG1 THR B 51 -13.302 9.774 1.050 1.00 0.39 O ATOM 2437 CG2 THR B 51 -15.336 11.075 1.194 1.00 0.49 C ATOM 0 H THR B 51 -11.586 11.126 2.371 1.00 0.36 H new ATOM 0 HA THR B 51 -12.969 12.310 0.264 1.00 0.40 H new ATOM 0 HB THR B 51 -13.913 10.790 2.744 1.00 0.39 H new ATOM 0 HG1 THR B 51 -13.139 9.088 1.730 1.00 0.39 H new ATOM 0 HG21 THR B 51 -15.897 10.173 1.437 1.00 0.49 H new ATOM 0 HG22 THR B 51 -15.791 11.930 1.693 1.00 0.49 H new ATOM 0 HG23 THR B 51 -15.353 11.233 0.116 1.00 0.49 H new ATOM 2445 N LYS B 52 -13.798 13.516 3.218 1.00 0.47 N ATOM 2446 CA LYS B 52 -14.605 14.535 3.872 1.00 0.60 C ATOM 2447 C LYS B 52 -13.939 15.898 3.804 1.00 0.69 C ATOM 2448 O LYS B 52 -14.596 16.928 3.946 1.00 0.84 O ATOM 2449 CB LYS B 52 -14.854 14.150 5.327 1.00 0.70 C ATOM 2450 CG LYS B 52 -15.567 12.814 5.484 1.00 0.78 C ATOM 2451 CD LYS B 52 -16.935 12.825 4.818 1.00 1.07 C ATOM 2452 CE LYS B 52 -17.642 11.489 4.971 1.00 1.24 C ATOM 2453 NZ LYS B 52 -18.003 11.205 6.384 1.00 1.82 N ATOM 0 H LYS B 52 -13.271 12.919 3.855 1.00 0.47 H new ATOM 0 HA LYS B 52 -15.557 14.598 3.345 1.00 0.60 H new ATOM 0 HB2 LYS B 52 -13.900 14.109 5.853 1.00 0.70 H new ATOM 0 HB3 LYS B 52 -15.448 14.929 5.805 1.00 0.70 H new ATOM 0 HG2 LYS B 52 -14.957 12.022 5.049 1.00 0.78 H new ATOM 0 HG3 LYS B 52 -15.680 12.584 6.543 1.00 0.78 H new ATOM 0 HD2 LYS B 52 -17.547 13.614 5.256 1.00 1.07 H new ATOM 0 HD3 LYS B 52 -16.823 13.059 3.759 1.00 1.07 H new ATOM 0 HE2 LYS B 52 -18.544 11.485 4.359 1.00 1.24 H new ATOM 0 HE3 LYS B 52 -16.998 10.694 4.595 1.00 1.24 H new ATOM 0 HZ1 LYS B 52 -18.627 10.374 6.423 1.00 1.82 H new ATOM 0 HZ2 LYS B 52 -17.139 11.015 6.932 1.00 1.82 H new ATOM 0 HZ3 LYS B 52 -18.496 12.027 6.788 1.00 1.82 H new ATOM 2546 N GLY B 58 -18.844 12.846 -5.549 1.00 0.67 N ATOM 2547 CA GLY B 58 -18.425 12.524 -6.897 1.00 0.56 C ATOM 2548 C GLY B 58 -16.955 12.172 -6.981 1.00 0.49 C ATOM 2549 O GLY B 58 -16.522 11.535 -7.935 1.00 0.48 O ATOM 0 HA2 GLY B 58 -19.017 11.687 -7.267 1.00 0.56 H new ATOM 0 HA3 GLY B 58 -18.630 13.373 -7.550 1.00 0.56 H new ATOM 2553 N VAL B 59 -16.176 12.580 -5.986 1.00 0.52 N ATOM 2554 CA VAL B 59 -14.757 12.250 -5.964 1.00 0.52 C ATOM 2555 C VAL B 59 -14.555 10.760 -5.782 1.00 0.49 C ATOM 2556 O VAL B 59 -13.712 10.157 -6.442 1.00 0.49 O ATOM 2557 CB VAL B 59 -13.988 13.002 -4.854 1.00 0.61 C ATOM 2558 CG1 VAL B 59 -14.585 12.727 -3.480 1.00 0.65 C ATOM 2559 CG2 VAL B 59 -12.520 12.610 -4.874 1.00 0.66 C ATOM 0 H VAL B 59 -16.499 13.134 -5.192 1.00 0.52 H new ATOM 0 HA VAL B 59 -14.356 12.567 -6.927 1.00 0.52 H new ATOM 0 HB VAL B 59 -14.076 14.070 -5.051 1.00 0.61 H new ATOM 0 HG11 VAL B 59 -14.021 13.271 -2.723 1.00 0.65 H new ATOM 0 HG12 VAL B 59 -15.625 13.054 -3.463 1.00 0.65 H new ATOM 0 HG13 VAL B 59 -14.538 11.658 -3.270 1.00 0.65 H new ATOM 0 HG21 VAL B 59 -11.989 13.147 -4.087 1.00 0.66 H new ATOM 0 HG22 VAL B 59 -12.428 11.537 -4.707 1.00 0.66 H new ATOM 0 HG23 VAL B 59 -12.088 12.865 -5.842 1.00 0.66 H new ATOM 2569 N LEU B 60 -15.351 10.168 -4.911 1.00 0.48 N ATOM 2570 CA LEU B 60 -15.259 8.745 -4.651 1.00 0.46 C ATOM 2571 C LEU B 60 -15.632 7.984 -5.904 1.00 0.43 C ATOM 2572 O LEU B 60 -15.218 6.845 -6.124 1.00 0.41 O ATOM 2573 CB LEU B 60 -16.185 8.343 -3.512 1.00 0.48 C ATOM 2574 CG LEU B 60 -15.996 9.122 -2.211 1.00 0.52 C ATOM 2575 CD1 LEU B 60 -16.778 8.472 -1.081 1.00 0.51 C ATOM 2576 CD2 LEU B 60 -14.520 9.221 -1.864 1.00 0.52 C ATOM 0 H LEU B 60 -16.069 10.652 -4.372 1.00 0.48 H new ATOM 0 HA LEU B 60 -14.236 8.506 -4.362 1.00 0.46 H new ATOM 0 HB2 LEU B 60 -17.216 8.466 -3.843 1.00 0.48 H new ATOM 0 HB3 LEU B 60 -16.041 7.282 -3.305 1.00 0.48 H new ATOM 0 HG LEU B 60 -16.382 10.132 -2.350 1.00 0.52 H new ATOM 0 HD11 LEU B 60 -16.631 9.041 -0.163 1.00 0.51 H new ATOM 0 HD12 LEU B 60 -17.838 8.458 -1.333 1.00 0.51 H new ATOM 0 HD13 LEU B 60 -16.426 7.451 -0.935 1.00 0.51 H new ATOM 0 HD21 LEU B 60 -14.401 9.779 -0.935 1.00 0.52 H new ATOM 0 HD22 LEU B 60 -14.107 8.220 -1.742 1.00 0.52 H new ATOM 0 HD23 LEU B 60 -13.991 9.736 -2.666 1.00 0.52 H new ATOM 2588 N ASP B 61 -16.410 8.655 -6.727 1.00 0.46 N ATOM 2589 CA ASP B 61 -16.839 8.117 -8.003 1.00 0.46 C ATOM 2590 C ASP B 61 -15.656 8.093 -8.951 1.00 0.47 C ATOM 2591 O ASP B 61 -15.434 7.126 -9.680 1.00 0.51 O ATOM 2592 CB ASP B 61 -17.960 8.973 -8.590 1.00 0.47 C ATOM 2593 CG ASP B 61 -18.678 8.299 -9.741 1.00 0.48 C ATOM 2594 OD1 ASP B 61 -18.208 8.407 -10.892 1.00 1.19 O ATOM 2595 OD2 ASP B 61 -19.735 7.678 -9.501 1.00 1.22 O ATOM 0 H ASP B 61 -16.764 9.591 -6.531 1.00 0.46 H new ATOM 0 HA ASP B 61 -17.218 7.105 -7.860 1.00 0.46 H new ATOM 0 HB2 ASP B 61 -18.680 9.206 -7.806 1.00 0.47 H new ATOM 0 HB3 ASP B 61 -17.545 9.921 -8.933 1.00 0.47 H new ATOM 2600 N ARG B 62 -14.883 9.165 -8.895 1.00 0.47 N ATOM 2601 CA ARG B 62 -13.687 9.305 -9.706 1.00 0.51 C ATOM 2602 C ARG B 62 -12.632 8.301 -9.266 1.00 0.50 C ATOM 2603 O ARG B 62 -11.875 7.784 -10.090 1.00 0.56 O ATOM 2604 CB ARG B 62 -13.135 10.724 -9.585 1.00 0.55 C ATOM 2605 CG ARG B 62 -14.177 11.800 -9.830 1.00 0.55 C ATOM 2606 CD ARG B 62 -13.589 13.187 -9.679 1.00 0.62 C ATOM 2607 NE ARG B 62 -12.504 13.431 -10.627 1.00 1.45 N ATOM 2608 CZ ARG B 62 -11.539 14.330 -10.441 1.00 1.97 C ATOM 2609 NH1 ARG B 62 -11.529 15.088 -9.350 1.00 1.66 N ATOM 2610 NH2 ARG B 62 -10.590 14.478 -11.355 1.00 3.02 N ATOM 0 H ARG B 62 -15.068 9.962 -8.286 1.00 0.47 H new ATOM 0 HA ARG B 62 -13.946 9.111 -10.747 1.00 0.51 H new ATOM 0 HB2 ARG B 62 -12.713 10.858 -8.589 1.00 0.55 H new ATOM 0 HB3 ARG B 62 -12.319 10.850 -10.297 1.00 0.55 H new ATOM 0 HG2 ARG B 62 -14.590 11.686 -10.832 1.00 0.55 H new ATOM 0 HG3 ARG B 62 -15.002 11.675 -9.129 1.00 0.55 H new ATOM 0 HD2 ARG B 62 -14.372 13.930 -9.826 1.00 0.62 H new ATOM 0 HD3 ARG B 62 -13.217 13.314 -8.662 1.00 0.62 H new ATOM 0 HE ARG B 62 -12.484 12.879 -11.484 1.00 1.45 H new ATOM 0 HH11 ARG B 62 -12.263 14.983 -8.649 1.00 1.66 H new ATOM 0 HH12 ARG B 62 -10.787 15.775 -9.213 1.00 1.66 H new ATOM 0 HH21 ARG B 62 -10.600 13.904 -12.198 1.00 3.02 H new ATOM 0 HH22 ARG B 62 -9.850 15.166 -11.215 1.00 3.02 H new ATOM 2624 N MET B 63 -12.576 8.038 -7.961 1.00 0.45 N ATOM 2625 CA MET B 63 -11.653 7.041 -7.427 1.00 0.44 C ATOM 2626 C MET B 63 -12.003 5.690 -8.002 1.00 0.41 C ATOM 2627 O MET B 63 -11.205 5.071 -8.701 1.00 0.42 O ATOM 2628 CB MET B 63 -11.735 6.923 -5.902 1.00 0.43 C ATOM 2629 CG MET B 63 -11.788 8.241 -5.142 1.00 0.49 C ATOM 2630 SD MET B 63 -10.172 9.028 -4.942 1.00 0.63 S ATOM 2631 CE MET B 63 -9.952 9.824 -6.530 1.00 1.54 C ATOM 0 H MET B 63 -13.155 8.499 -7.259 1.00 0.45 H new ATOM 0 HA MET B 63 -10.646 7.358 -7.700 1.00 0.44 H new ATOM 0 HB2 MET B 63 -12.621 6.342 -5.648 1.00 0.43 H new ATOM 0 HB3 MET B 63 -10.872 6.357 -5.552 1.00 0.43 H new ATOM 0 HG2 MET B 63 -12.454 8.926 -5.666 1.00 0.49 H new ATOM 0 HG3 MET B 63 -12.222 8.066 -4.157 1.00 0.49 H new ATOM 0 HE1 MET B 63 -9.470 10.791 -6.388 1.00 1.54 H new ATOM 0 HE2 MET B 63 -9.328 9.198 -7.168 1.00 1.54 H new ATOM 0 HE3 MET B 63 -10.924 9.968 -7.002 1.00 1.54 H new ATOM 2641 N MET B 64 -13.230 5.266 -7.714 1.00 0.41 N ATOM 2642 CA MET B 64 -13.712 3.953 -8.096 1.00 0.42 C ATOM 2643 C MET B 64 -13.508 3.687 -9.579 1.00 0.44 C ATOM 2644 O MET B 64 -12.925 2.681 -9.944 1.00 0.41 O ATOM 2645 CB MET B 64 -15.186 3.805 -7.715 1.00 0.55 C ATOM 2646 CG MET B 64 -15.850 2.572 -8.302 1.00 0.65 C ATOM 2647 SD MET B 64 -16.787 2.941 -9.795 1.00 1.87 S ATOM 2648 CE MET B 64 -17.286 1.297 -10.293 1.00 2.41 C ATOM 0 H MET B 64 -13.915 5.828 -7.208 1.00 0.41 H new ATOM 0 HA MET B 64 -13.129 3.209 -7.553 1.00 0.42 H new ATOM 0 HB2 MET B 64 -15.269 3.769 -6.629 1.00 0.55 H new ATOM 0 HB3 MET B 64 -15.728 4.691 -8.046 1.00 0.55 H new ATOM 0 HG2 MET B 64 -15.088 1.826 -8.530 1.00 0.65 H new ATOM 0 HG3 MET B 64 -16.515 2.132 -7.559 1.00 0.65 H new ATOM 0 HE1 MET B 64 -18.348 1.298 -10.539 1.00 2.41 H new ATOM 0 HE2 MET B 64 -16.711 0.992 -11.167 1.00 2.41 H new ATOM 0 HE3 MET B 64 -17.103 0.598 -9.477 1.00 2.41 H new ATOM 2658 N LYS B 65 -13.957 4.599 -10.424 1.00 0.52 N ATOM 2659 CA LYS B 65 -13.854 4.405 -11.868 1.00 0.56 C ATOM 2660 C LYS B 65 -12.403 4.351 -12.340 1.00 0.54 C ATOM 2661 O LYS B 65 -12.084 3.633 -13.290 1.00 0.60 O ATOM 2662 CB LYS B 65 -14.612 5.500 -12.614 1.00 0.67 C ATOM 2663 CG LYS B 65 -16.121 5.408 -12.452 1.00 0.79 C ATOM 2664 CD LYS B 65 -16.670 4.090 -12.982 1.00 0.86 C ATOM 2665 CE LYS B 65 -16.418 3.929 -14.474 1.00 1.57 C ATOM 2666 NZ LYS B 65 -17.074 4.998 -15.272 1.00 2.49 N ATOM 0 H LYS B 65 -14.394 5.477 -10.142 1.00 0.52 H new ATOM 0 HA LYS B 65 -14.308 3.440 -12.094 1.00 0.56 H new ATOM 0 HB2 LYS B 65 -14.274 6.473 -12.257 1.00 0.67 H new ATOM 0 HB3 LYS B 65 -14.364 5.446 -13.674 1.00 0.67 H new ATOM 0 HG2 LYS B 65 -16.380 5.512 -11.398 1.00 0.79 H new ATOM 0 HG3 LYS B 65 -16.594 6.236 -12.979 1.00 0.79 H new ATOM 0 HD2 LYS B 65 -16.208 3.262 -12.444 1.00 0.86 H new ATOM 0 HD3 LYS B 65 -17.741 4.038 -12.787 1.00 0.86 H new ATOM 0 HE2 LYS B 65 -15.345 3.943 -14.663 1.00 1.57 H new ATOM 0 HE3 LYS B 65 -16.786 2.956 -14.800 1.00 1.57 H new ATOM 0 HZ1 LYS B 65 -17.036 4.750 -16.281 1.00 2.49 H new ATOM 0 HZ2 LYS B 65 -18.066 5.093 -14.976 1.00 2.49 H new ATOM 0 HZ3 LYS B 65 -16.579 5.900 -15.118 1.00 2.49 H new ATOM 2680 N LYS B 66 -11.530 5.106 -11.684 1.00 0.50 N ATOM 2681 CA LYS B 66 -10.105 5.077 -12.002 1.00 0.52 C ATOM 2682 C LYS B 66 -9.507 3.729 -11.628 1.00 0.48 C ATOM 2683 O LYS B 66 -8.738 3.134 -12.387 1.00 0.54 O ATOM 2684 CB LYS B 66 -9.365 6.178 -11.240 1.00 0.55 C ATOM 2685 CG LYS B 66 -7.861 6.177 -11.472 1.00 0.91 C ATOM 2686 CD LYS B 66 -7.155 7.238 -10.638 1.00 0.96 C ATOM 2687 CE LYS B 66 -7.334 7.000 -9.145 1.00 0.73 C ATOM 2688 NZ LYS B 66 -6.598 8.006 -8.334 1.00 1.47 N ATOM 0 H LYS B 66 -11.782 5.745 -10.930 1.00 0.50 H new ATOM 0 HA LYS B 66 -9.995 5.240 -13.074 1.00 0.52 H new ATOM 0 HB2 LYS B 66 -9.769 7.146 -11.535 1.00 0.55 H new ATOM 0 HB3 LYS B 66 -9.559 6.063 -10.174 1.00 0.55 H new ATOM 0 HG2 LYS B 66 -7.457 5.195 -11.227 1.00 0.91 H new ATOM 0 HG3 LYS B 66 -7.657 6.351 -12.528 1.00 0.91 H new ATOM 0 HD2 LYS B 66 -6.092 7.242 -10.880 1.00 0.96 H new ATOM 0 HD3 LYS B 66 -7.545 8.222 -10.898 1.00 0.96 H new ATOM 0 HE2 LYS B 66 -8.394 7.037 -8.895 1.00 0.73 H new ATOM 0 HE3 LYS B 66 -6.982 6.000 -8.891 1.00 0.73 H new ATOM 0 HZ1 LYS B 66 -6.744 7.811 -7.323 1.00 1.47 H new ATOM 0 HZ2 LYS B 66 -5.583 7.953 -8.554 1.00 1.47 H new ATOM 0 HZ3 LYS B 66 -6.952 8.958 -8.557 1.00 1.47 H new ATOM 2702 N LEU B 67 -9.876 3.262 -10.452 1.00 0.41 N ATOM 2703 CA LEU B 67 -9.314 2.050 -9.883 1.00 0.39 C ATOM 2704 C LEU B 67 -9.934 0.811 -10.505 1.00 0.40 C ATOM 2705 O LEU B 67 -9.272 -0.215 -10.628 1.00 0.46 O ATOM 2706 CB LEU B 67 -9.570 2.043 -8.390 1.00 0.34 C ATOM 2707 CG LEU B 67 -9.157 3.325 -7.662 1.00 0.33 C ATOM 2708 CD1 LEU B 67 -9.660 3.311 -6.232 1.00 0.30 C ATOM 2709 CD2 LEU B 67 -7.648 3.513 -7.703 1.00 0.37 C ATOM 0 H LEU B 67 -10.575 3.712 -9.862 1.00 0.41 H new ATOM 0 HA LEU B 67 -8.243 2.034 -10.087 1.00 0.39 H new ATOM 0 HB2 LEU B 67 -10.633 1.871 -8.219 1.00 0.34 H new ATOM 0 HB3 LEU B 67 -9.035 1.202 -7.948 1.00 0.34 H new ATOM 0 HG LEU B 67 -9.613 4.170 -8.177 1.00 0.33 H new ATOM 0 HD11 LEU B 67 -9.357 4.230 -5.731 1.00 0.30 H new ATOM 0 HD12 LEU B 67 -10.748 3.238 -6.230 1.00 0.30 H new ATOM 0 HD13 LEU B 67 -9.238 2.455 -5.706 1.00 0.30 H new ATOM 0 HD21 LEU B 67 -7.381 4.431 -7.179 1.00 0.37 H new ATOM 0 HD22 LEU B 67 -7.162 2.665 -7.220 1.00 0.37 H new ATOM 0 HD23 LEU B 67 -7.317 3.578 -8.740 1.00 0.37 H new ATOM 2721 N ASP B 68 -11.214 0.926 -10.870 1.00 0.39 N ATOM 2722 CA ASP B 68 -11.972 -0.159 -11.500 1.00 0.42 C ATOM 2723 C ASP B 68 -11.403 -0.439 -12.882 1.00 0.52 C ATOM 2724 O ASP B 68 -11.975 -0.104 -13.923 1.00 0.57 O ATOM 2725 CB ASP B 68 -13.465 0.218 -11.552 1.00 0.43 C ATOM 2726 CG ASP B 68 -14.321 -0.725 -12.385 1.00 0.46 C ATOM 2727 OD1 ASP B 68 -14.448 -1.917 -12.027 1.00 1.13 O ATOM 2728 OD2 ASP B 68 -14.886 -0.267 -13.405 1.00 1.23 O ATOM 0 H ASP B 68 -11.757 1.779 -10.736 1.00 0.39 H new ATOM 0 HA ASP B 68 -11.883 -1.074 -10.914 1.00 0.42 H new ATOM 0 HB2 ASP B 68 -13.857 0.243 -10.535 1.00 0.43 H new ATOM 0 HB3 ASP B 68 -13.559 1.227 -11.955 1.00 0.43 H new ATOM 2733 N THR B 69 -10.235 -1.027 -12.857 1.00 0.58 N ATOM 2734 CA THR B 69 -9.494 -1.365 -14.044 1.00 0.74 C ATOM 2735 C THR B 69 -10.002 -2.681 -14.605 1.00 0.83 C ATOM 2736 O THR B 69 -9.817 -2.992 -15.781 1.00 0.99 O ATOM 2737 CB THR B 69 -7.995 -1.453 -13.711 1.00 0.79 C ATOM 2738 OG1 THR B 69 -7.202 -1.347 -14.904 1.00 0.91 O ATOM 2739 CG2 THR B 69 -7.677 -2.758 -13.002 1.00 0.82 C ATOM 0 H THR B 69 -9.763 -1.290 -11.992 1.00 0.58 H new ATOM 0 HA THR B 69 -9.635 -0.591 -14.798 1.00 0.74 H new ATOM 0 HB THR B 69 -7.752 -0.622 -13.049 1.00 0.79 H new ATOM 0 HG1 THR B 69 -6.252 -1.404 -14.671 1.00 0.91 H new ATOM 0 HG21 THR B 69 -6.611 -2.799 -12.776 1.00 0.82 H new ATOM 0 HG22 THR B 69 -8.247 -2.817 -12.075 1.00 0.82 H new ATOM 0 HG23 THR B 69 -7.944 -3.596 -13.646 1.00 0.82 H new ATOM 2747 N ASN B 70 -10.654 -3.441 -13.743 1.00 0.80 N ATOM 2748 CA ASN B 70 -11.278 -4.689 -14.131 1.00 0.94 C ATOM 2749 C ASN B 70 -12.622 -4.406 -14.766 1.00 0.86 C ATOM 2750 O ASN B 70 -13.234 -5.263 -15.408 1.00 0.98 O ATOM 2751 CB ASN B 70 -11.451 -5.557 -12.895 1.00 1.00 C ATOM 2752 CG ASN B 70 -11.907 -6.970 -13.203 1.00 1.25 C ATOM 2753 OD1 ASN B 70 -11.614 -7.520 -14.266 1.00 1.46 O ATOM 2754 ND2 ASN B 70 -12.627 -7.567 -12.269 1.00 1.66 N ATOM 0 H ASN B 70 -10.765 -3.209 -12.756 1.00 0.80 H new ATOM 0 HA ASN B 70 -10.653 -5.212 -14.855 1.00 0.94 H new ATOM 0 HB2 ASN B 70 -10.505 -5.599 -12.356 1.00 1.00 H new ATOM 0 HB3 ASN B 70 -12.176 -5.087 -12.230 1.00 1.00 H new ATOM 0 HD21 ASN B 70 -12.962 -8.519 -12.414 1.00 1.66 H new ATOM 0 HD22 ASN B 70 -12.847 -7.075 -11.403 1.00 1.66 H new ATOM 2761 N SER B 71 -13.058 -3.165 -14.557 1.00 0.70 N ATOM 2762 CA SER B 71 -14.273 -2.634 -15.144 1.00 0.66 C ATOM 2763 C SER B 71 -15.466 -3.511 -14.814 1.00 0.61 C ATOM 2764 O SER B 71 -16.361 -3.717 -15.635 1.00 0.66 O ATOM 2765 CB SER B 71 -14.094 -2.462 -16.649 1.00 0.82 C ATOM 2766 OG SER B 71 -12.991 -1.609 -16.917 1.00 1.48 O ATOM 0 H SER B 71 -12.565 -2.496 -13.966 1.00 0.70 H new ATOM 0 HA SER B 71 -14.472 -1.652 -14.714 1.00 0.66 H new ATOM 0 HB2 SER B 71 -13.934 -3.433 -17.117 1.00 0.82 H new ATOM 0 HB3 SER B 71 -15.001 -2.044 -17.085 1.00 0.82 H new ATOM 0 HG SER B 71 -12.884 -1.507 -17.886 1.00 1.48 H new ATOM 2772 N ASP B 72 -15.475 -3.998 -13.586 1.00 0.58 N ATOM 2773 CA ASP B 72 -16.522 -4.878 -13.112 1.00 0.65 C ATOM 2774 C ASP B 72 -17.489 -4.083 -12.256 1.00 0.56 C ATOM 2775 O ASP B 72 -18.618 -4.503 -12.005 1.00 0.66 O ATOM 2776 CB ASP B 72 -15.916 -6.029 -12.304 1.00 0.80 C ATOM 2777 CG ASP B 72 -16.941 -7.073 -11.907 1.00 0.92 C ATOM 2778 OD1 ASP B 72 -17.312 -7.902 -12.763 1.00 1.56 O ATOM 2779 OD2 ASP B 72 -17.375 -7.081 -10.735 1.00 1.53 O ATOM 0 H ASP B 72 -14.756 -3.793 -12.892 1.00 0.58 H new ATOM 0 HA ASP B 72 -17.057 -5.301 -13.962 1.00 0.65 H new ATOM 0 HB2 ASP B 72 -15.129 -6.504 -12.891 1.00 0.80 H new ATOM 0 HB3 ASP B 72 -15.446 -5.628 -11.406 1.00 0.80 H new ATOM 2784 N GLY B 73 -17.037 -2.915 -11.822 1.00 0.45 N ATOM 2785 CA GLY B 73 -17.853 -2.072 -10.976 1.00 0.46 C ATOM 2786 C GLY B 73 -17.473 -2.237 -9.530 1.00 0.41 C ATOM 2787 O GLY B 73 -18.170 -1.771 -8.625 1.00 0.44 O ATOM 0 H GLY B 73 -16.116 -2.536 -12.042 1.00 0.45 H new ATOM 0 HA2 GLY B 73 -17.734 -1.029 -11.271 1.00 0.46 H new ATOM 0 HA3 GLY B 73 -18.905 -2.323 -11.111 1.00 0.46 H new ATOM 2791 N GLN B 74 -16.357 -2.909 -9.320 1.00 0.38 N ATOM 2792 CA GLN B 74 -15.844 -3.167 -7.997 1.00 0.37 C ATOM 2793 C GLN B 74 -14.350 -2.964 -8.013 1.00 0.36 C ATOM 2794 O GLN B 74 -13.751 -2.835 -9.076 1.00 0.39 O ATOM 2795 CB GLN B 74 -16.127 -4.601 -7.564 1.00 0.38 C ATOM 2796 CG GLN B 74 -17.568 -5.041 -7.738 1.00 0.41 C ATOM 2797 CD GLN B 74 -17.817 -6.438 -7.210 1.00 0.49 C ATOM 2798 OE1 GLN B 74 -18.158 -6.618 -6.044 1.00 1.02 O ATOM 2799 NE2 GLN B 74 -17.656 -7.433 -8.063 1.00 1.25 N ATOM 0 H GLN B 74 -15.781 -3.291 -10.070 1.00 0.38 H new ATOM 0 HA GLN B 74 -16.332 -2.487 -7.299 1.00 0.37 H new ATOM 0 HB2 GLN B 74 -15.485 -5.272 -8.134 1.00 0.38 H new ATOM 0 HB3 GLN B 74 -15.852 -4.711 -6.515 1.00 0.38 H new ATOM 0 HG2 GLN B 74 -18.223 -4.339 -7.222 1.00 0.41 H new ATOM 0 HG3 GLN B 74 -17.830 -5.004 -8.795 1.00 0.41 H new ATOM 0 HE21 GLN B 74 -17.372 -7.240 -9.023 1.00 1.25 H new ATOM 0 HE22 GLN B 74 -17.816 -8.394 -7.761 1.00 1.25 H new ATOM 2808 N LEU B 75 -13.754 -2.953 -6.843 1.00 0.33 N ATOM 2809 CA LEU B 75 -12.322 -2.804 -6.732 1.00 0.31 C ATOM 2810 C LEU B 75 -11.710 -3.996 -6.047 1.00 0.32 C ATOM 2811 O LEU B 75 -11.942 -4.247 -4.863 1.00 0.32 O ATOM 2812 CB LEU B 75 -11.983 -1.529 -5.988 1.00 0.31 C ATOM 2813 CG LEU B 75 -12.544 -0.280 -6.657 1.00 0.32 C ATOM 2814 CD1 LEU B 75 -12.073 0.964 -5.951 1.00 0.35 C ATOM 2815 CD2 LEU B 75 -12.138 -0.248 -8.117 1.00 0.35 C ATOM 0 H LEU B 75 -14.241 -3.046 -5.952 1.00 0.33 H new ATOM 0 HA LEU B 75 -11.905 -2.742 -7.737 1.00 0.31 H new ATOM 0 HB2 LEU B 75 -12.370 -1.595 -4.971 1.00 0.31 H new ATOM 0 HB3 LEU B 75 -10.900 -1.437 -5.911 1.00 0.31 H new ATOM 0 HG LEU B 75 -13.632 -0.312 -6.593 1.00 0.32 H new ATOM 0 HD11 LEU B 75 -12.486 1.842 -6.447 1.00 0.35 H new ATOM 0 HD12 LEU B 75 -12.407 0.942 -4.914 1.00 0.35 H new ATOM 0 HD13 LEU B 75 -10.984 1.009 -5.981 1.00 0.35 H new ATOM 0 HD21 LEU B 75 -12.543 0.648 -8.588 1.00 0.35 H new ATOM 0 HD22 LEU B 75 -11.051 -0.237 -8.192 1.00 0.35 H new ATOM 0 HD23 LEU B 75 -12.528 -1.131 -8.623 1.00 0.35 H new ATOM 2827 N ASP B 76 -10.949 -4.741 -6.811 1.00 0.35 N ATOM 2828 CA ASP B 76 -10.237 -5.884 -6.291 1.00 0.36 C ATOM 2829 C ASP B 76 -9.022 -5.387 -5.525 1.00 0.33 C ATOM 2830 O ASP B 76 -8.740 -4.193 -5.538 1.00 0.32 O ATOM 2831 CB ASP B 76 -9.874 -6.827 -7.446 1.00 0.44 C ATOM 2832 CG ASP B 76 -8.379 -6.974 -7.693 1.00 0.91 C ATOM 2833 OD1 ASP B 76 -7.801 -6.163 -8.449 1.00 1.44 O ATOM 2834 OD2 ASP B 76 -7.774 -7.923 -7.141 1.00 1.68 O ATOM 0 H ASP B 76 -10.806 -4.574 -7.807 1.00 0.35 H new ATOM 0 HA ASP B 76 -10.854 -6.457 -5.599 1.00 0.36 H new ATOM 0 HB2 ASP B 76 -10.294 -7.812 -7.241 1.00 0.44 H new ATOM 0 HB3 ASP B 76 -10.346 -6.463 -8.358 1.00 0.44 H new ATOM 2839 N PHE B 77 -8.323 -6.279 -4.849 1.00 0.40 N ATOM 2840 CA PHE B 77 -7.245 -5.884 -3.962 1.00 0.49 C ATOM 2841 C PHE B 77 -6.224 -5.005 -4.677 1.00 0.39 C ATOM 2842 O PHE B 77 -5.844 -3.959 -4.167 1.00 0.38 O ATOM 2843 CB PHE B 77 -6.571 -7.114 -3.382 1.00 0.72 C ATOM 2844 CG PHE B 77 -5.791 -6.822 -2.137 1.00 1.75 C ATOM 2845 CD1 PHE B 77 -6.401 -6.215 -1.055 1.00 2.56 C ATOM 2846 CD2 PHE B 77 -4.453 -7.144 -2.050 1.00 2.66 C ATOM 2847 CE1 PHE B 77 -5.690 -5.937 0.094 1.00 3.67 C ATOM 2848 CE2 PHE B 77 -3.738 -6.868 -0.905 1.00 3.77 C ATOM 2849 CZ PHE B 77 -4.356 -6.262 0.168 1.00 4.14 C ATOM 0 H PHE B 77 -8.483 -7.285 -4.897 1.00 0.40 H new ATOM 0 HA PHE B 77 -7.675 -5.296 -3.151 1.00 0.49 H new ATOM 0 HB2 PHE B 77 -7.328 -7.866 -3.162 1.00 0.72 H new ATOM 0 HB3 PHE B 77 -5.904 -7.543 -4.130 1.00 0.72 H new ATOM 0 HD1 PHE B 77 -7.448 -5.955 -1.110 1.00 2.56 H new ATOM 0 HD2 PHE B 77 -3.961 -7.617 -2.887 1.00 2.66 H new ATOM 0 HE1 PHE B 77 -6.180 -5.465 0.933 1.00 3.67 H new ATOM 0 HE2 PHE B 77 -2.691 -7.127 -0.848 1.00 3.77 H new ATOM 0 HZ PHE B 77 -3.794 -6.043 1.064 1.00 4.14 H new ATOM 2859 N SER B 78 -5.804 -5.419 -5.863 1.00 0.38 N ATOM 2860 CA SER B 78 -4.853 -4.648 -6.653 1.00 0.38 C ATOM 2861 C SER B 78 -5.420 -3.276 -7.029 1.00 0.38 C ATOM 2862 O SER B 78 -4.689 -2.289 -7.091 1.00 0.44 O ATOM 2863 CB SER B 78 -4.476 -5.428 -7.909 1.00 0.44 C ATOM 2864 OG SER B 78 -5.254 -6.613 -8.021 1.00 1.32 O ATOM 0 H SER B 78 -6.108 -6.288 -6.302 1.00 0.38 H new ATOM 0 HA SER B 78 -3.962 -4.482 -6.048 1.00 0.38 H new ATOM 0 HB2 SER B 78 -4.628 -4.804 -8.789 1.00 0.44 H new ATOM 0 HB3 SER B 78 -3.417 -5.684 -7.879 1.00 0.44 H new ATOM 0 HG SER B 78 -6.102 -6.407 -8.468 1.00 1.32 H new ATOM 2870 N GLU B 79 -6.729 -3.213 -7.243 1.00 0.36 N ATOM 2871 CA GLU B 79 -7.383 -1.966 -7.625 1.00 0.42 C ATOM 2872 C GLU B 79 -7.501 -1.060 -6.404 1.00 0.33 C ATOM 2873 O GLU B 79 -7.311 0.156 -6.481 1.00 0.33 O ATOM 2874 CB GLU B 79 -8.756 -2.267 -8.231 1.00 0.51 C ATOM 2875 CG GLU B 79 -8.670 -3.187 -9.439 1.00 0.64 C ATOM 2876 CD GLU B 79 -10.022 -3.568 -10.012 1.00 1.81 C ATOM 2877 OE1 GLU B 79 -10.665 -4.482 -9.458 1.00 2.57 O ATOM 2878 OE2 GLU B 79 -10.420 -2.990 -11.040 1.00 2.54 O ATOM 0 H GLU B 79 -7.359 -4.011 -7.159 1.00 0.36 H new ATOM 0 HA GLU B 79 -6.788 -1.449 -8.378 1.00 0.42 H new ATOM 0 HB2 GLU B 79 -9.391 -2.726 -7.473 1.00 0.51 H new ATOM 0 HB3 GLU B 79 -9.233 -1.332 -8.524 1.00 0.51 H new ATOM 0 HG2 GLU B 79 -8.081 -2.699 -10.215 1.00 0.64 H new ATOM 0 HG3 GLU B 79 -8.136 -4.094 -9.157 1.00 0.64 H new ATOM 2885 N PHE B 80 -7.785 -1.687 -5.276 1.00 0.28 N ATOM 2886 CA PHE B 80 -7.813 -1.025 -3.982 1.00 0.25 C ATOM 2887 C PHE B 80 -6.416 -0.521 -3.612 1.00 0.23 C ATOM 2888 O PHE B 80 -6.261 0.543 -3.016 1.00 0.26 O ATOM 2889 CB PHE B 80 -8.336 -2.024 -2.941 1.00 0.31 C ATOM 2890 CG PHE B 80 -8.038 -1.682 -1.509 1.00 0.71 C ATOM 2891 CD1 PHE B 80 -8.606 -0.576 -0.904 1.00 1.26 C ATOM 2892 CD2 PHE B 80 -7.198 -2.491 -0.764 1.00 1.60 C ATOM 2893 CE1 PHE B 80 -8.339 -0.284 0.417 1.00 1.56 C ATOM 2894 CE2 PHE B 80 -6.927 -2.201 0.557 1.00 1.98 C ATOM 2895 CZ PHE B 80 -7.499 -1.096 1.148 1.00 1.64 C ATOM 0 H PHE B 80 -8.005 -2.682 -5.232 1.00 0.28 H new ATOM 0 HA PHE B 80 -8.473 -0.158 -4.015 1.00 0.25 H new ATOM 0 HB2 PHE B 80 -9.416 -2.112 -3.058 1.00 0.31 H new ATOM 0 HB3 PHE B 80 -7.911 -3.004 -3.158 1.00 0.31 H new ATOM 0 HD1 PHE B 80 -9.265 0.065 -1.471 1.00 1.26 H new ATOM 0 HD2 PHE B 80 -6.749 -3.360 -1.222 1.00 1.60 H new ATOM 0 HE1 PHE B 80 -8.789 0.582 0.879 1.00 1.56 H new ATOM 0 HE2 PHE B 80 -6.268 -2.839 1.127 1.00 1.98 H new ATOM 0 HZ PHE B 80 -7.290 -0.866 2.182 1.00 1.64 H new ATOM 2905 N LEU B 81 -5.400 -1.281 -3.992 1.00 0.25 N ATOM 2906 CA LEU B 81 -4.022 -0.917 -3.699 1.00 0.26 C ATOM 2907 C LEU B 81 -3.529 0.157 -4.637 1.00 0.26 C ATOM 2908 O LEU B 81 -2.682 0.972 -4.275 1.00 0.27 O ATOM 2909 CB LEU B 81 -3.114 -2.127 -3.798 1.00 0.29 C ATOM 2910 CG LEU B 81 -3.386 -3.220 -2.770 1.00 0.28 C ATOM 2911 CD1 LEU B 81 -2.376 -4.334 -2.924 1.00 0.33 C ATOM 2912 CD2 LEU B 81 -3.367 -2.645 -1.354 1.00 0.29 C ATOM 0 H LEU B 81 -5.504 -2.156 -4.505 1.00 0.25 H new ATOM 0 HA LEU B 81 -3.998 -0.531 -2.680 1.00 0.26 H new ATOM 0 HB2 LEU B 81 -3.211 -2.555 -4.796 1.00 0.29 H new ATOM 0 HB3 LEU B 81 -2.081 -1.797 -3.691 1.00 0.29 H new ATOM 0 HG LEU B 81 -4.380 -3.632 -2.944 1.00 0.28 H new ATOM 0 HD11 LEU B 81 -2.576 -5.111 -2.187 1.00 0.33 H new ATOM 0 HD12 LEU B 81 -2.450 -4.757 -3.926 1.00 0.33 H new ATOM 0 HD13 LEU B 81 -1.372 -3.939 -2.771 1.00 0.33 H new ATOM 0 HD21 LEU B 81 -3.563 -3.441 -0.635 1.00 0.29 H new ATOM 0 HD22 LEU B 81 -2.390 -2.207 -1.152 1.00 0.29 H new ATOM 0 HD23 LEU B 81 -4.135 -1.877 -1.263 1.00 0.29 H new ATOM 2924 N ASN B 82 -4.050 0.149 -5.850 1.00 0.26 N ATOM 2925 CA ASN B 82 -3.762 1.205 -6.796 1.00 0.26 C ATOM 2926 C ASN B 82 -4.195 2.533 -6.204 1.00 0.23 C ATOM 2927 O ASN B 82 -3.544 3.567 -6.376 1.00 0.24 O ATOM 2928 CB ASN B 82 -4.500 0.961 -8.109 1.00 0.30 C ATOM 2929 CG ASN B 82 -3.651 0.254 -9.149 1.00 0.78 C ATOM 2930 OD1 ASN B 82 -3.810 0.478 -10.348 1.00 1.50 O ATOM 2931 ND2 ASN B 82 -2.752 -0.609 -8.705 1.00 1.42 N ATOM 0 H ASN B 82 -4.674 -0.577 -6.201 1.00 0.26 H new ATOM 0 HA ASN B 82 -2.691 1.221 -6.999 1.00 0.26 H new ATOM 0 HB2 ASN B 82 -5.392 0.366 -7.912 1.00 0.30 H new ATOM 0 HB3 ASN B 82 -4.836 1.916 -8.512 1.00 0.30 H new ATOM 0 HD21 ASN B 82 -2.162 -1.115 -9.365 1.00 1.42 H new ATOM 0 HD22 ASN B 82 -2.649 -0.768 -7.703 1.00 1.42 H new ATOM 2938 N LEU B 83 -5.312 2.481 -5.498 1.00 0.23 N ATOM 2939 CA LEU B 83 -5.795 3.609 -4.736 1.00 0.24 C ATOM 2940 C LEU B 83 -4.795 4.004 -3.672 1.00 0.23 C ATOM 2941 O LEU B 83 -4.438 5.171 -3.551 1.00 0.25 O ATOM 2942 CB LEU B 83 -7.099 3.266 -4.056 1.00 0.27 C ATOM 2943 CG LEU B 83 -7.466 4.218 -2.935 1.00 0.31 C ATOM 2944 CD1 LEU B 83 -7.881 5.573 -3.490 1.00 0.35 C ATOM 2945 CD2 LEU B 83 -8.547 3.622 -2.071 1.00 0.36 C ATOM 0 H LEU B 83 -5.906 1.654 -5.440 1.00 0.23 H new ATOM 0 HA LEU B 83 -5.941 4.437 -5.430 1.00 0.24 H new ATOM 0 HB2 LEU B 83 -7.897 3.266 -4.798 1.00 0.27 H new ATOM 0 HB3 LEU B 83 -7.036 2.254 -3.656 1.00 0.27 H new ATOM 0 HG LEU B 83 -6.586 4.375 -2.311 1.00 0.31 H new ATOM 0 HD11 LEU B 83 -8.140 6.239 -2.667 1.00 0.35 H new ATOM 0 HD12 LEU B 83 -7.056 6.002 -4.058 1.00 0.35 H new ATOM 0 HD13 LEU B 83 -8.745 5.450 -4.143 1.00 0.35 H new ATOM 0 HD21 LEU B 83 -8.799 4.318 -1.271 1.00 0.36 H new ATOM 0 HD22 LEU B 83 -9.433 3.430 -2.677 1.00 0.36 H new ATOM 0 HD23 LEU B 83 -8.193 2.686 -1.639 1.00 0.36 H new ATOM 2957 N ILE B 84 -4.373 3.021 -2.888 1.00 0.24 N ATOM 2958 CA ILE B 84 -3.378 3.236 -1.850 1.00 0.26 C ATOM 2959 C ILE B 84 -2.139 3.902 -2.436 1.00 0.27 C ATOM 2960 O ILE B 84 -1.486 4.699 -1.775 1.00 0.29 O ATOM 2961 CB ILE B 84 -3.029 1.903 -1.141 1.00 0.29 C ATOM 2962 CG1 ILE B 84 -3.890 1.726 0.113 1.00 0.55 C ATOM 2963 CG2 ILE B 84 -1.549 1.818 -0.777 1.00 0.47 C ATOM 2964 CD1 ILE B 84 -5.377 1.664 -0.160 1.00 0.62 C ATOM 0 H ILE B 84 -4.708 2.060 -2.954 1.00 0.24 H new ATOM 0 HA ILE B 84 -3.793 3.906 -1.098 1.00 0.26 H new ATOM 0 HB ILE B 84 -3.242 1.097 -1.843 1.00 0.29 H new ATOM 0 HG12 ILE B 84 -3.587 0.811 0.622 1.00 0.55 H new ATOM 0 HG13 ILE B 84 -3.691 2.552 0.796 1.00 0.55 H new ATOM 0 HG21 ILE B 84 -1.350 0.867 -0.282 1.00 0.47 H new ATOM 0 HG22 ILE B 84 -0.947 1.889 -1.683 1.00 0.47 H new ATOM 0 HG23 ILE B 84 -1.292 2.637 -0.106 1.00 0.47 H new ATOM 0 HD11 ILE B 84 -5.915 1.538 0.780 1.00 0.62 H new ATOM 0 HD12 ILE B 84 -5.698 2.589 -0.640 1.00 0.62 H new ATOM 0 HD13 ILE B 84 -5.592 0.821 -0.817 1.00 0.62 H new ATOM 2976 N GLY B 85 -1.850 3.600 -3.696 1.00 0.26 N ATOM 2977 CA GLY B 85 -0.790 4.278 -4.402 1.00 0.29 C ATOM 2978 C GLY B 85 -1.056 5.763 -4.519 1.00 0.28 C ATOM 2979 O GLY B 85 -0.201 6.571 -4.179 1.00 0.32 O ATOM 0 H GLY B 85 -2.338 2.890 -4.242 1.00 0.26 H new ATOM 0 HA2 GLY B 85 0.154 4.117 -3.882 1.00 0.29 H new ATOM 0 HA3 GLY B 85 -0.683 3.848 -5.398 1.00 0.29 H new ATOM 2983 N GLY B 86 -2.263 6.126 -4.947 1.00 0.27 N ATOM 2984 CA GLY B 86 -2.583 7.530 -5.151 1.00 0.30 C ATOM 2985 C GLY B 86 -2.708 8.264 -3.834 1.00 0.29 C ATOM 2986 O GLY B 86 -2.303 9.420 -3.708 1.00 0.34 O ATOM 0 H GLY B 86 -3.022 5.477 -5.155 1.00 0.27 H new ATOM 0 HA2 GLY B 86 -1.807 7.997 -5.758 1.00 0.30 H new ATOM 0 HA3 GLY B 86 -3.517 7.615 -5.707 1.00 0.30 H new ATOM 2990 N LEU B 87 -3.262 7.565 -2.858 1.00 0.25 N ATOM 2991 CA LEU B 87 -3.397 8.070 -1.501 1.00 0.25 C ATOM 2992 C LEU B 87 -2.032 8.327 -0.894 1.00 0.26 C ATOM 2993 O LEU B 87 -1.730 9.431 -0.442 1.00 0.29 O ATOM 2994 CB LEU B 87 -4.118 7.041 -0.642 1.00 0.25 C ATOM 2995 CG LEU B 87 -5.622 6.912 -0.849 1.00 0.26 C ATOM 2996 CD1 LEU B 87 -6.129 5.678 -0.127 1.00 0.26 C ATOM 2997 CD2 LEU B 87 -6.342 8.152 -0.338 1.00 0.35 C ATOM 0 H LEU B 87 -3.634 6.624 -2.985 1.00 0.25 H new ATOM 0 HA LEU B 87 -3.963 9.001 -1.536 1.00 0.25 H new ATOM 0 HB2 LEU B 87 -3.664 6.067 -0.825 1.00 0.25 H new ATOM 0 HB3 LEU B 87 -3.938 7.285 0.405 1.00 0.25 H new ATOM 0 HG LEU B 87 -5.824 6.815 -1.916 1.00 0.26 H new ATOM 0 HD11 LEU B 87 -7.205 5.586 -0.275 1.00 0.26 H new ATOM 0 HD12 LEU B 87 -5.631 4.794 -0.524 1.00 0.26 H new ATOM 0 HD13 LEU B 87 -5.916 5.766 0.938 1.00 0.26 H new ATOM 0 HD21 LEU B 87 -7.415 8.040 -0.495 1.00 0.35 H new ATOM 0 HD22 LEU B 87 -6.142 8.276 0.726 1.00 0.35 H new ATOM 0 HD23 LEU B 87 -5.986 9.029 -0.879 1.00 0.35 H new ATOM 3009 N ALA B 88 -1.212 7.287 -0.895 1.00 0.25 N ATOM 3010 CA ALA B 88 0.114 7.351 -0.320 1.00 0.27 C ATOM 3011 C ALA B 88 0.940 8.402 -1.000 1.00 0.29 C ATOM 3012 O ALA B 88 1.649 9.158 -0.355 1.00 0.35 O ATOM 3013 CB ALA B 88 0.819 6.021 -0.444 1.00 0.26 C ATOM 0 H ALA B 88 -1.450 6.379 -1.294 1.00 0.25 H new ATOM 0 HA ALA B 88 -0.000 7.604 0.734 1.00 0.27 H new ATOM 0 HB1 ALA B 88 1.814 6.094 -0.005 1.00 0.26 H new ATOM 0 HB2 ALA B 88 0.246 5.255 0.080 1.00 0.26 H new ATOM 0 HB3 ALA B 88 0.906 5.752 -1.497 1.00 0.26 H new ATOM 3019 N MET B 89 0.851 8.432 -2.313 1.00 0.29 N ATOM 3020 CA MET B 89 1.588 9.395 -3.095 1.00 0.32 C ATOM 3021 C MET B 89 1.150 10.812 -2.758 1.00 0.34 C ATOM 3022 O MET B 89 1.946 11.748 -2.809 1.00 0.39 O ATOM 3023 CB MET B 89 1.418 9.104 -4.581 1.00 0.34 C ATOM 3024 CG MET B 89 2.258 7.930 -5.049 1.00 0.42 C ATOM 3025 SD MET B 89 2.425 7.864 -6.844 1.00 1.03 S ATOM 3026 CE MET B 89 0.720 7.632 -7.344 1.00 1.89 C ATOM 0 H MET B 89 0.272 7.796 -2.861 1.00 0.29 H new ATOM 0 HA MET B 89 2.646 9.310 -2.849 1.00 0.32 H new ATOM 0 HB2 MET B 89 0.368 8.899 -4.789 1.00 0.34 H new ATOM 0 HB3 MET B 89 1.690 9.991 -5.154 1.00 0.34 H new ATOM 0 HG2 MET B 89 3.248 7.995 -4.598 1.00 0.42 H new ATOM 0 HG3 MET B 89 1.807 7.003 -4.696 1.00 0.42 H new ATOM 0 HE1 MET B 89 0.676 7.466 -8.420 1.00 1.89 H new ATOM 0 HE2 MET B 89 0.303 6.768 -6.827 1.00 1.89 H new ATOM 0 HE3 MET B 89 0.142 8.521 -7.090 1.00 1.89 H new ATOM 3036 N ALA B 90 -0.111 10.960 -2.384 1.00 0.34 N ATOM 3037 CA ALA B 90 -0.630 12.249 -1.959 1.00 0.39 C ATOM 3038 C ALA B 90 -0.080 12.613 -0.584 1.00 0.42 C ATOM 3039 O ALA B 90 0.288 13.758 -0.341 1.00 0.49 O ATOM 3040 CB ALA B 90 -2.148 12.231 -1.945 1.00 0.46 C ATOM 0 H ALA B 90 -0.794 10.203 -2.366 1.00 0.34 H new ATOM 0 HA ALA B 90 -0.306 13.008 -2.670 1.00 0.39 H new ATOM 0 HB1 ALA B 90 -2.520 13.204 -1.624 1.00 0.46 H new ATOM 0 HB2 ALA B 90 -2.519 12.013 -2.947 1.00 0.46 H new ATOM 0 HB3 ALA B 90 -2.496 11.463 -1.254 1.00 0.46 H new ATOM 3046 N CYS B 91 -0.012 11.629 0.305 1.00 0.41 N ATOM 3047 CA CYS B 91 0.537 11.834 1.643 1.00 0.47 C ATOM 3048 C CYS B 91 2.041 12.081 1.566 1.00 0.44 C ATOM 3049 O CYS B 91 2.592 12.856 2.338 1.00 0.51 O ATOM 3050 CB CYS B 91 0.241 10.625 2.541 1.00 0.55 C ATOM 3051 SG CYS B 91 0.861 10.783 4.233 1.00 1.76 S ATOM 0 H CYS B 91 -0.331 10.677 0.124 1.00 0.41 H new ATOM 0 HA CYS B 91 0.060 12.711 2.080 1.00 0.47 H new ATOM 0 HB2 CYS B 91 -0.837 10.468 2.575 1.00 0.55 H new ATOM 0 HB3 CYS B 91 0.678 9.735 2.088 1.00 0.55 H new ATOM 0 HG CYS B 91 -0.017 10.303 5.063 1.00 1.76 H new ATOM 3057 N HIS B 92 2.690 11.419 0.621 1.00 0.41 N ATOM 3058 CA HIS B 92 4.110 11.610 0.363 1.00 0.46 C ATOM 3059 C HIS B 92 4.355 13.016 -0.142 1.00 0.45 C ATOM 3060 O HIS B 92 5.224 13.724 0.355 1.00 0.49 O ATOM 3061 CB HIS B 92 4.598 10.584 -0.670 1.00 0.54 C ATOM 3062 CG HIS B 92 5.987 10.830 -1.186 1.00 1.21 C ATOM 3063 ND1 HIS B 92 6.243 11.232 -2.477 1.00 2.12 N ATOM 3064 CD2 HIS B 92 7.194 10.712 -0.586 1.00 1.96 C ATOM 3065 CE1 HIS B 92 7.543 11.351 -2.651 1.00 2.74 C ATOM 3066 NE2 HIS B 92 8.146 11.043 -1.519 1.00 2.62 N ATOM 0 H HIS B 92 2.247 10.733 0.010 1.00 0.41 H new ATOM 0 HA HIS B 92 4.664 11.465 1.290 1.00 0.46 H new ATOM 0 HB2 HIS B 92 4.561 9.591 -0.222 1.00 0.54 H new ATOM 0 HB3 HIS B 92 3.907 10.579 -1.513 1.00 0.54 H new ATOM 0 HD2 HIS B 92 7.375 10.413 0.436 1.00 1.96 H new ATOM 0 HE1 HIS B 92 8.033 11.650 -3.566 1.00 2.74 H new ATOM 0 HE2 HIS B 92 9.154 11.050 -1.362 1.00 2.62 H new ATOM 3075 N ASP B 93 3.567 13.406 -1.127 1.00 0.45 N ATOM 3076 CA ASP B 93 3.672 14.725 -1.715 1.00 0.52 C ATOM 3077 C ASP B 93 3.362 15.793 -0.667 1.00 0.56 C ATOM 3078 O ASP B 93 4.000 16.844 -0.625 1.00 0.65 O ATOM 3079 CB ASP B 93 2.722 14.826 -2.908 1.00 0.54 C ATOM 3080 CG ASP B 93 2.961 16.064 -3.743 1.00 0.92 C ATOM 3081 OD1 ASP B 93 4.018 16.143 -4.405 1.00 1.48 O ATOM 3082 OD2 ASP B 93 2.084 16.951 -3.762 1.00 1.74 O ATOM 0 H ASP B 93 2.841 12.820 -1.539 1.00 0.45 H new ATOM 0 HA ASP B 93 4.690 14.891 -2.068 1.00 0.52 H new ATOM 0 HB2 ASP B 93 2.838 13.942 -3.535 1.00 0.54 H new ATOM 0 HB3 ASP B 93 1.693 14.829 -2.548 1.00 0.54 H new ATOM 3087 N SER B 94 2.403 15.495 0.205 1.00 0.54 N ATOM 3088 CA SER B 94 2.053 16.382 1.306 1.00 0.60 C ATOM 3089 C SER B 94 3.193 16.463 2.308 1.00 0.63 C ATOM 3090 O SER B 94 3.556 17.537 2.756 1.00 0.70 O ATOM 3091 CB SER B 94 0.796 15.884 2.016 1.00 0.65 C ATOM 3092 OG SER B 94 -0.318 15.857 1.135 1.00 1.26 O ATOM 0 H SER B 94 1.851 14.638 0.168 1.00 0.54 H new ATOM 0 HA SER B 94 1.865 17.373 0.892 1.00 0.60 H new ATOM 0 HB2 SER B 94 0.972 14.885 2.414 1.00 0.65 H new ATOM 0 HB3 SER B 94 0.575 16.531 2.865 1.00 0.65 H new ATOM 0 HG SER B 94 -0.095 15.326 0.342 1.00 1.26 H new ATOM 3098 N PHE B 95 3.760 15.308 2.628 1.00 0.60 N ATOM 3099 CA PHE B 95 4.842 15.195 3.595 1.00 0.67 C ATOM 3100 C PHE B 95 6.012 16.074 3.174 1.00 0.73 C ATOM 3101 O PHE B 95 6.697 16.658 4.008 1.00 0.84 O ATOM 3102 CB PHE B 95 5.276 13.728 3.688 1.00 0.64 C ATOM 3103 CG PHE B 95 6.091 13.384 4.901 1.00 0.78 C ATOM 3104 CD1 PHE B 95 5.545 13.499 6.170 1.00 1.80 C ATOM 3105 CD2 PHE B 95 7.392 12.929 4.774 1.00 1.29 C ATOM 3106 CE1 PHE B 95 6.285 13.168 7.288 1.00 2.35 C ATOM 3107 CE2 PHE B 95 8.135 12.593 5.890 1.00 1.76 C ATOM 3108 CZ PHE B 95 7.580 12.714 7.148 1.00 2.07 C ATOM 0 H PHE B 95 3.479 14.416 2.220 1.00 0.60 H new ATOM 0 HA PHE B 95 4.499 15.531 4.574 1.00 0.67 H new ATOM 0 HB2 PHE B 95 4.385 13.100 3.677 1.00 0.64 H new ATOM 0 HB3 PHE B 95 5.853 13.478 2.798 1.00 0.64 H new ATOM 0 HD1 PHE B 95 4.531 13.851 6.285 1.00 1.80 H new ATOM 0 HD2 PHE B 95 7.831 12.835 3.792 1.00 1.29 H new ATOM 0 HE1 PHE B 95 5.850 13.265 8.272 1.00 2.35 H new ATOM 0 HE2 PHE B 95 9.148 12.236 5.778 1.00 1.76 H new ATOM 0 HZ PHE B 95 8.159 12.454 8.022 1.00 2.07 H new