USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 768 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 HIS : no HD1:sc= 0.958 K(o=1.9,f=-8.4!) USER MOD Set 1.2: A 124 TYR OH : rot 126:sc= 0.91 USER MOD Set 2.1: A 74 CYS SG : rot -55:sc= -0.14 USER MOD Set 2.2: A 78 THR OG1 : rot -31:sc= 2.17 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN :FLIP amide:sc= -0.684 F(o=-3.8!,f=-0.68) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 167:sc= 0.785 (180deg=0.223) USER MOD Single : A 76 MET CE :methyl -156:sc= -0.763 (180deg=-2.53) USER MOD Single : A 77 GLN : amide:sc= -4.03! C(o=-4!,f=-5.6!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN :FLIP amide:sc= -0.0989 F(o=-1.2!,f=-0.099) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 93 GLN : amide:sc= -0.23 X(o=-0.23,f=-0.043) USER MOD Single : A 96 HIS : no HD1:sc= -0.566 K(o=-0.57,f=-2.4!) USER MOD Single : A 97 SER OG : rot 180:sc= 0.0491 USER MOD Single : A 102 SER OG : rot 76:sc= 0.981 USER MOD Single : A 106 CYS SG : rot 126:sc= 1.17 USER MOD Single : A 107 ASN : amide:sc= 1.14 K(o=1.1,f=-0.022) USER MOD Single : A 110 SER OG : rot -75:sc= 1.24 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 167:sc= -0.018 (180deg=-0.175) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -11.6! C(o=-12!,f=-12!) USER MOD Single : A 131 CYS SG : rot 138:sc= -2! USER MOD Single : A 132 THR OG1 : rot 71:sc= -0.0832 USER MOD Single : A 135 LYS NZ :NH3+ -133:sc= 1.25 (180deg=0.117) USER MOD Single : A 137 HIS :FLIP no HE2:sc= 0.125 F(o=-0.51,f=0.13) USER MOD Single : A 138 SER OG : rot -13:sc= -0.395! USER MOD Single : B 27 SER OG : rot -32:sc= 0.464 USER MOD Single : B 29 SER OG : rot -47:sc= 0.839 USER MOD Single : B 33 GLN : amide:sc= 0.575 K(o=0.57,f=-0.0085) USER MOD Single : B 34 TYR OH : rot 7:sc= 1.12 USER MOD Single : B 36 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N TYR A 59 -14.693 5.720 -0.664 1.00 0.57 N ATOM 118 CA TYR A 59 -13.522 6.584 -0.620 1.00 0.44 C ATOM 119 C TYR A 59 -12.596 6.283 -1.775 1.00 0.41 C ATOM 120 O TYR A 59 -11.420 6.625 -1.737 1.00 0.42 O ATOM 121 CB TYR A 59 -12.798 6.446 0.716 1.00 0.66 C ATOM 122 CG TYR A 59 -13.559 7.099 1.831 1.00 0.89 C ATOM 123 CD1 TYR A 59 -14.670 6.483 2.354 1.00 1.04 C ATOM 124 CD2 TYR A 59 -13.186 8.335 2.336 1.00 1.06 C ATOM 125 CE1 TYR A 59 -15.411 7.074 3.357 1.00 1.27 C ATOM 126 CE2 TYR A 59 -13.913 8.939 3.344 1.00 1.30 C ATOM 127 CZ TYR A 59 -15.025 8.303 3.851 1.00 1.34 C ATOM 128 OH TYR A 59 -15.765 8.904 4.842 1.00 1.64 O ATOM 0 HA TYR A 59 -13.854 7.618 -0.715 1.00 0.44 H new ATOM 0 HB2 TYR A 59 -12.654 5.390 0.944 1.00 0.66 H new ATOM 0 HB3 TYR A 59 -11.807 6.894 0.641 1.00 0.66 H new ATOM 0 HD1 TYR A 59 -14.969 5.518 1.973 1.00 1.04 H new ATOM 0 HD2 TYR A 59 -12.315 8.833 1.936 1.00 1.06 H new ATOM 0 HE1 TYR A 59 -16.286 6.579 3.752 1.00 1.27 H new ATOM 0 HE2 TYR A 59 -13.612 9.901 3.731 1.00 1.30 H new ATOM 0 HH TYR A 59 -15.358 9.764 5.079 1.00 1.64 H new ATOM 138 N LYS A 60 -13.160 5.653 -2.803 1.00 0.42 N ATOM 139 CA LYS A 60 -12.421 5.266 -4.002 1.00 0.43 C ATOM 140 C LYS A 60 -11.558 6.407 -4.532 1.00 0.40 C ATOM 141 O LYS A 60 -10.340 6.277 -4.616 1.00 0.41 O ATOM 142 CB LYS A 60 -13.403 4.793 -5.079 1.00 0.52 C ATOM 143 CG LYS A 60 -14.665 5.643 -5.174 1.00 1.16 C ATOM 144 CD LYS A 60 -15.613 5.124 -6.243 1.00 1.35 C ATOM 145 CE LYS A 60 -16.911 5.919 -6.273 1.00 1.75 C ATOM 146 NZ LYS A 60 -17.788 5.510 -7.403 1.00 2.29 N ATOM 0 H LYS A 60 -14.147 5.396 -2.828 1.00 0.42 H new ATOM 0 HA LYS A 60 -11.748 4.451 -3.736 1.00 0.43 H new ATOM 0 HB2 LYS A 60 -12.899 4.798 -6.045 1.00 0.52 H new ATOM 0 HB3 LYS A 60 -13.686 3.761 -4.872 1.00 0.52 H new ATOM 0 HG2 LYS A 60 -15.173 5.650 -4.209 1.00 1.16 H new ATOM 0 HG3 LYS A 60 -14.393 6.674 -5.398 1.00 1.16 H new ATOM 0 HD2 LYS A 60 -15.129 5.180 -7.218 1.00 1.35 H new ATOM 0 HD3 LYS A 60 -15.833 4.073 -6.056 1.00 1.35 H new ATOM 0 HE2 LYS A 60 -17.443 5.780 -5.332 1.00 1.75 H new ATOM 0 HE3 LYS A 60 -16.684 6.982 -6.357 1.00 1.75 H new ATOM 0 HZ1 LYS A 60 -18.661 6.075 -7.387 1.00 2.29 H new ATOM 0 HZ2 LYS A 60 -17.290 5.666 -8.303 1.00 2.29 H new ATOM 0 HZ3 LYS A 60 -18.027 4.502 -7.310 1.00 2.29 H new ATOM 160 N LEU A 61 -12.198 7.527 -4.845 1.00 0.45 N ATOM 161 CA LEU A 61 -11.514 8.704 -5.370 1.00 0.49 C ATOM 162 C LEU A 61 -10.326 9.088 -4.491 1.00 0.38 C ATOM 163 O LEU A 61 -9.243 9.407 -4.985 1.00 0.41 O ATOM 164 CB LEU A 61 -12.488 9.887 -5.464 1.00 0.62 C ATOM 165 CG LEU A 61 -13.159 10.307 -4.147 1.00 0.63 C ATOM 166 CD1 LEU A 61 -13.622 11.748 -4.231 1.00 0.75 C ATOM 167 CD2 LEU A 61 -14.344 9.411 -3.811 1.00 0.81 C ATOM 0 H LEU A 61 -13.206 7.646 -4.742 1.00 0.45 H new ATOM 0 HA LEU A 61 -11.144 8.459 -6.365 1.00 0.49 H new ATOM 0 HB2 LEU A 61 -11.950 10.746 -5.865 1.00 0.62 H new ATOM 0 HB3 LEU A 61 -13.268 9.635 -6.183 1.00 0.62 H new ATOM 0 HG LEU A 61 -12.418 10.205 -3.354 1.00 0.63 H new ATOM 0 HD11 LEU A 61 -14.096 12.033 -3.292 1.00 0.75 H new ATOM 0 HD12 LEU A 61 -12.765 12.395 -4.416 1.00 0.75 H new ATOM 0 HD13 LEU A 61 -14.339 11.853 -5.045 1.00 0.75 H new ATOM 0 HD21 LEU A 61 -14.793 9.738 -2.873 1.00 0.81 H new ATOM 0 HD22 LEU A 61 -15.084 9.472 -4.609 1.00 0.81 H new ATOM 0 HD23 LEU A 61 -14.004 8.380 -3.710 1.00 0.81 H new ATOM 179 N GLU A 62 -10.547 9.045 -3.188 1.00 0.33 N ATOM 180 CA GLU A 62 -9.536 9.396 -2.218 1.00 0.30 C ATOM 181 C GLU A 62 -8.321 8.489 -2.273 1.00 0.26 C ATOM 182 O GLU A 62 -7.212 8.971 -2.457 1.00 0.32 O ATOM 183 CB GLU A 62 -10.158 9.390 -0.827 1.00 0.41 C ATOM 184 CG GLU A 62 -10.725 10.737 -0.472 1.00 0.50 C ATOM 185 CD GLU A 62 -11.180 10.839 0.966 1.00 1.29 C ATOM 186 OE1 GLU A 62 -10.380 10.525 1.866 1.00 1.51 O ATOM 187 OE2 GLU A 62 -12.351 11.200 1.195 1.00 2.00 O ATOM 0 H GLU A 62 -11.437 8.764 -2.777 1.00 0.33 H new ATOM 0 HA GLU A 62 -9.173 10.395 -2.460 1.00 0.30 H new ATOM 0 HB2 GLU A 62 -10.947 8.639 -0.783 1.00 0.41 H new ATOM 0 HB3 GLU A 62 -9.405 9.105 -0.092 1.00 0.41 H new ATOM 0 HG2 GLU A 62 -9.971 11.501 -0.661 1.00 0.50 H new ATOM 0 HG3 GLU A 62 -11.569 10.952 -1.128 1.00 0.50 H new ATOM 194 N ASN A 63 -8.525 7.185 -2.168 1.00 0.24 N ATOM 195 CA ASN A 63 -7.394 6.259 -2.058 1.00 0.23 C ATOM 196 C ASN A 63 -6.668 6.093 -3.384 1.00 0.21 C ATOM 197 O ASN A 63 -5.510 5.684 -3.403 1.00 0.22 O ATOM 198 CB ASN A 63 -7.814 4.891 -1.513 1.00 0.33 C ATOM 199 CG ASN A 63 -8.883 4.208 -2.332 1.00 1.10 C ATOM 200 OD1 ASN A 63 -10.114 4.344 -1.890 1.00 2.24 O flip ATOM 201 ND2 ASN A 63 -8.604 3.542 -3.328 1.00 0.90 N flip ATOM 0 H ASN A 63 -9.444 6.743 -2.156 1.00 0.24 H new ATOM 0 HA ASN A 63 -6.706 6.708 -1.342 1.00 0.23 H new ATOM 0 HB2 ASN A 63 -6.937 4.245 -1.466 1.00 0.33 H new ATOM 0 HB3 ASN A 63 -8.175 5.013 -0.492 1.00 0.33 H new ATOM 0 HD21 ASN A 63 -7.634 3.465 -3.634 1.00 0.90 H new ATOM 0 HD22 ASN A 63 -9.342 3.067 -3.847 1.00 0.90 H new ATOM 208 N GLU A 64 -7.329 6.412 -4.486 1.00 0.23 N ATOM 209 CA GLU A 64 -6.670 6.381 -5.776 1.00 0.29 C ATOM 210 C GLU A 64 -5.605 7.465 -5.841 1.00 0.29 C ATOM 211 O GLU A 64 -4.454 7.197 -6.186 1.00 0.35 O ATOM 212 CB GLU A 64 -7.679 6.562 -6.902 1.00 0.38 C ATOM 213 CG GLU A 64 -8.720 5.463 -6.961 1.00 0.41 C ATOM 214 CD GLU A 64 -9.522 5.491 -8.246 1.00 0.56 C ATOM 215 OE1 GLU A 64 -9.091 4.861 -9.237 1.00 0.88 O ATOM 216 OE2 GLU A 64 -10.587 6.145 -8.278 1.00 0.69 O ATOM 0 H GLU A 64 -8.310 6.692 -4.511 1.00 0.23 H new ATOM 0 HA GLU A 64 -6.194 5.408 -5.899 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -8.181 7.521 -6.779 1.00 0.38 H new ATOM 0 HB3 GLU A 64 -7.148 6.600 -7.853 1.00 0.38 H new ATOM 0 HG2 GLU A 64 -8.228 4.495 -6.865 1.00 0.41 H new ATOM 0 HG3 GLU A 64 -9.397 5.562 -6.112 1.00 0.41 H new ATOM 223 N LYS A 65 -5.987 8.683 -5.477 1.00 0.27 N ATOM 224 CA LYS A 65 -5.045 9.796 -5.441 1.00 0.30 C ATOM 225 C LYS A 65 -4.104 9.634 -4.260 1.00 0.23 C ATOM 226 O LYS A 65 -2.930 9.964 -4.329 1.00 0.30 O ATOM 227 CB LYS A 65 -5.783 11.118 -5.319 1.00 0.39 C ATOM 228 CG LYS A 65 -6.945 11.254 -6.272 1.00 0.65 C ATOM 229 CD LYS A 65 -7.606 12.620 -6.163 1.00 1.23 C ATOM 230 CE LYS A 65 -8.176 12.858 -4.774 1.00 2.14 C ATOM 231 NZ LYS A 65 -8.699 14.241 -4.624 1.00 2.98 N ATOM 0 H LYS A 65 -6.939 8.925 -5.203 1.00 0.27 H new ATOM 0 HA LYS A 65 -4.474 9.795 -6.370 1.00 0.30 H new ATOM 0 HB2 LYS A 65 -6.147 11.228 -4.298 1.00 0.39 H new ATOM 0 HB3 LYS A 65 -5.082 11.933 -5.496 1.00 0.39 H new ATOM 0 HG2 LYS A 65 -6.598 11.098 -7.293 1.00 0.65 H new ATOM 0 HG3 LYS A 65 -7.680 10.477 -6.063 1.00 0.65 H new ATOM 0 HD2 LYS A 65 -6.877 13.397 -6.396 1.00 1.23 H new ATOM 0 HD3 LYS A 65 -8.403 12.699 -6.902 1.00 1.23 H new ATOM 0 HE2 LYS A 65 -8.976 12.143 -4.582 1.00 2.14 H new ATOM 0 HE3 LYS A 65 -7.402 12.679 -4.027 1.00 2.14 H new ATOM 0 HZ1 LYS A 65 -9.079 14.366 -3.664 1.00 2.98 H new ATOM 0 HZ2 LYS A 65 -7.929 14.922 -4.783 1.00 2.98 H new ATOM 0 HZ3 LYS A 65 -9.455 14.404 -5.320 1.00 2.98 H new ATOM 245 N LEU A 66 -4.648 9.130 -3.173 1.00 0.16 N ATOM 246 CA LEU A 66 -3.889 8.883 -1.963 1.00 0.15 C ATOM 247 C LEU A 66 -2.724 7.933 -2.197 1.00 0.15 C ATOM 248 O LEU A 66 -1.582 8.240 -1.852 1.00 0.18 O ATOM 249 CB LEU A 66 -4.819 8.302 -0.920 1.00 0.15 C ATOM 250 CG LEU A 66 -4.907 9.118 0.343 1.00 0.20 C ATOM 251 CD1 LEU A 66 -6.129 8.723 1.146 1.00 0.24 C ATOM 252 CD2 LEU A 66 -3.631 8.936 1.130 1.00 0.22 C ATOM 0 H LEU A 66 -5.634 8.878 -3.102 1.00 0.16 H new ATOM 0 HA LEU A 66 -3.468 9.830 -1.625 1.00 0.15 H new ATOM 0 HB2 LEU A 66 -5.816 8.207 -1.349 1.00 0.15 H new ATOM 0 HB3 LEU A 66 -4.483 7.296 -0.668 1.00 0.15 H new ATOM 0 HG LEU A 66 -5.018 10.175 0.099 1.00 0.20 H new ATOM 0 HD11 LEU A 66 -6.176 9.323 2.055 1.00 0.24 H new ATOM 0 HD12 LEU A 66 -7.026 8.894 0.551 1.00 0.24 H new ATOM 0 HD13 LEU A 66 -6.065 7.668 1.411 1.00 0.24 H new ATOM 0 HD21 LEU A 66 -3.683 9.522 2.047 1.00 0.22 H new ATOM 0 HD22 LEU A 66 -3.504 7.882 1.379 1.00 0.22 H new ATOM 0 HD23 LEU A 66 -2.784 9.272 0.532 1.00 0.22 H new ATOM 264 N PHE A 67 -3.026 6.771 -2.756 1.00 0.14 N ATOM 265 CA PHE A 67 -2.015 5.769 -3.047 1.00 0.15 C ATOM 266 C PHE A 67 -0.869 6.354 -3.865 1.00 0.17 C ATOM 267 O PHE A 67 0.299 6.085 -3.590 1.00 0.20 O ATOM 268 CB PHE A 67 -2.637 4.594 -3.797 1.00 0.15 C ATOM 269 CG PHE A 67 -1.921 3.309 -3.553 1.00 0.16 C ATOM 270 CD1 PHE A 67 -0.833 2.938 -4.321 1.00 0.17 C ATOM 271 CD2 PHE A 67 -2.342 2.478 -2.540 1.00 0.17 C ATOM 272 CE1 PHE A 67 -0.177 1.748 -4.078 1.00 0.19 C ATOM 273 CE2 PHE A 67 -1.696 1.289 -2.288 1.00 0.18 C ATOM 274 CZ PHE A 67 -0.610 0.920 -3.058 1.00 0.19 C ATOM 0 H PHE A 67 -3.973 6.498 -3.019 1.00 0.14 H new ATOM 0 HA PHE A 67 -1.611 5.420 -2.097 1.00 0.15 H new ATOM 0 HB2 PHE A 67 -3.679 4.487 -3.496 1.00 0.15 H new ATOM 0 HB3 PHE A 67 -2.635 4.809 -4.866 1.00 0.15 H new ATOM 0 HD1 PHE A 67 -0.494 3.584 -5.117 1.00 0.17 H new ATOM 0 HD2 PHE A 67 -3.190 2.762 -1.935 1.00 0.17 H new ATOM 0 HE1 PHE A 67 0.672 1.464 -4.682 1.00 0.19 H new ATOM 0 HE2 PHE A 67 -2.037 0.646 -1.490 1.00 0.18 H new ATOM 0 HZ PHE A 67 -0.100 -0.012 -2.864 1.00 0.19 H new ATOM 284 N GLU A 68 -1.198 7.164 -4.863 1.00 0.18 N ATOM 285 CA GLU A 68 -0.169 7.728 -5.721 1.00 0.23 C ATOM 286 C GLU A 68 0.642 8.806 -5.005 1.00 0.19 C ATOM 287 O GLU A 68 1.804 9.002 -5.332 1.00 0.24 O ATOM 288 CB GLU A 68 -0.738 8.248 -7.040 1.00 0.40 C ATOM 289 CG GLU A 68 -1.851 9.236 -6.870 1.00 0.54 C ATOM 290 CD GLU A 68 -2.427 9.713 -8.186 1.00 1.13 C ATOM 291 OE1 GLU A 68 -3.189 8.948 -8.819 1.00 1.39 O ATOM 292 OE2 GLU A 68 -2.126 10.854 -8.595 1.00 1.81 O ATOM 0 H GLU A 68 -2.152 7.440 -5.094 1.00 0.18 H new ATOM 0 HA GLU A 68 0.512 6.912 -5.964 1.00 0.23 H new ATOM 0 HB2 GLU A 68 0.064 8.713 -7.613 1.00 0.40 H new ATOM 0 HB3 GLU A 68 -1.100 7.404 -7.627 1.00 0.40 H new ATOM 0 HG2 GLU A 68 -2.644 8.782 -6.276 1.00 0.54 H new ATOM 0 HG3 GLU A 68 -1.484 10.095 -6.308 1.00 0.54 H new ATOM 299 N GLU A 69 0.059 9.486 -4.009 1.00 0.19 N ATOM 300 CA GLU A 69 0.815 10.447 -3.215 1.00 0.22 C ATOM 301 C GLU A 69 2.004 9.760 -2.555 1.00 0.20 C ATOM 302 O GLU A 69 3.111 10.302 -2.496 1.00 0.28 O ATOM 303 CB GLU A 69 -0.087 11.053 -2.161 1.00 0.26 C ATOM 304 CG GLU A 69 -1.257 11.792 -2.761 1.00 0.34 C ATOM 305 CD GLU A 69 -0.908 13.192 -3.216 1.00 1.02 C ATOM 306 OE1 GLU A 69 -0.809 14.090 -2.357 1.00 1.31 O ATOM 307 OE2 GLU A 69 -0.752 13.410 -4.435 1.00 1.78 O ATOM 0 H GLU A 69 -0.920 9.387 -3.741 1.00 0.19 H new ATOM 0 HA GLU A 69 1.187 11.238 -3.866 1.00 0.22 H new ATOM 0 HB2 GLU A 69 -0.456 10.264 -1.506 1.00 0.26 H new ATOM 0 HB3 GLU A 69 0.492 11.737 -1.541 1.00 0.26 H new ATOM 0 HG2 GLU A 69 -1.639 11.226 -3.610 1.00 0.34 H new ATOM 0 HG3 GLU A 69 -2.060 11.845 -2.026 1.00 0.34 H new ATOM 314 N PHE A 70 1.753 8.551 -2.075 1.00 0.15 N ATOM 315 CA PHE A 70 2.787 7.713 -1.495 1.00 0.13 C ATOM 316 C PHE A 70 3.801 7.324 -2.562 1.00 0.13 C ATOM 317 O PHE A 70 5.005 7.422 -2.352 1.00 0.14 O ATOM 318 CB PHE A 70 2.138 6.466 -0.891 1.00 0.12 C ATOM 319 CG PHE A 70 3.047 5.647 -0.018 1.00 0.11 C ATOM 320 CD1 PHE A 70 4.195 5.091 -0.534 1.00 0.11 C ATOM 321 CD2 PHE A 70 2.725 5.404 1.305 1.00 0.11 C ATOM 322 CE1 PHE A 70 5.014 4.305 0.245 1.00 0.11 C ATOM 323 CE2 PHE A 70 3.543 4.624 2.098 1.00 0.11 C ATOM 324 CZ PHE A 70 4.690 4.070 1.564 1.00 0.11 C ATOM 0 H PHE A 70 0.826 8.125 -2.078 1.00 0.15 H new ATOM 0 HA PHE A 70 3.310 8.261 -0.711 1.00 0.13 H new ATOM 0 HB2 PHE A 70 1.271 6.771 -0.305 1.00 0.12 H new ATOM 0 HB3 PHE A 70 1.769 5.836 -1.701 1.00 0.12 H new ATOM 0 HD1 PHE A 70 4.458 5.274 -1.566 1.00 0.11 H new ATOM 0 HD2 PHE A 70 1.824 5.829 1.722 1.00 0.11 H new ATOM 0 HE1 PHE A 70 5.909 3.873 -0.177 1.00 0.11 H new ATOM 0 HE2 PHE A 70 3.287 4.448 3.132 1.00 0.11 H new ATOM 0 HZ PHE A 70 5.331 3.455 2.178 1.00 0.11 H new ATOM 334 N LEU A 71 3.305 6.905 -3.711 1.00 0.14 N ATOM 335 CA LEU A 71 4.151 6.439 -4.788 1.00 0.15 C ATOM 336 C LEU A 71 5.033 7.531 -5.341 1.00 0.16 C ATOM 337 O LEU A 71 6.204 7.313 -5.624 1.00 0.18 O ATOM 338 CB LEU A 71 3.276 5.902 -5.885 1.00 0.17 C ATOM 339 CG LEU A 71 2.656 4.569 -5.568 1.00 0.18 C ATOM 340 CD1 LEU A 71 1.864 4.094 -6.750 1.00 0.22 C ATOM 341 CD2 LEU A 71 3.745 3.595 -5.196 1.00 0.16 C ATOM 0 H LEU A 71 2.307 6.879 -3.921 1.00 0.14 H new ATOM 0 HA LEU A 71 4.807 5.664 -4.392 1.00 0.15 H new ATOM 0 HB2 LEU A 71 2.483 6.622 -6.090 1.00 0.17 H new ATOM 0 HB3 LEU A 71 3.867 5.810 -6.796 1.00 0.17 H new ATOM 0 HG LEU A 71 1.974 4.655 -4.722 1.00 0.18 H new ATOM 0 HD11 LEU A 71 1.414 3.128 -6.522 1.00 0.22 H new ATOM 0 HD12 LEU A 71 1.079 4.816 -6.976 1.00 0.22 H new ATOM 0 HD13 LEU A 71 2.523 3.993 -7.612 1.00 0.22 H new ATOM 0 HD21 LEU A 71 3.303 2.626 -4.965 1.00 0.16 H new ATOM 0 HD22 LEU A 71 4.438 3.488 -6.031 1.00 0.16 H new ATOM 0 HD23 LEU A 71 4.283 3.966 -4.323 1.00 0.16 H new ATOM 353 N GLU A 72 4.458 8.693 -5.510 1.00 0.16 N ATOM 354 CA GLU A 72 5.180 9.826 -6.040 1.00 0.19 C ATOM 355 C GLU A 72 6.227 10.299 -5.041 1.00 0.18 C ATOM 356 O GLU A 72 7.262 10.849 -5.418 1.00 0.21 O ATOM 357 CB GLU A 72 4.207 10.913 -6.450 1.00 0.24 C ATOM 358 CG GLU A 72 3.213 10.406 -7.484 1.00 0.29 C ATOM 359 CD GLU A 72 3.846 10.160 -8.838 1.00 0.73 C ATOM 360 OE1 GLU A 72 5.013 10.558 -9.047 1.00 1.21 O ATOM 361 OE2 GLU A 72 3.188 9.550 -9.703 1.00 1.17 O ATOM 0 H GLU A 72 3.481 8.883 -5.286 1.00 0.16 H new ATOM 0 HA GLU A 72 5.723 9.535 -6.939 1.00 0.19 H new ATOM 0 HB2 GLU A 72 3.670 11.273 -5.572 1.00 0.24 H new ATOM 0 HB3 GLU A 72 4.757 11.761 -6.857 1.00 0.24 H new ATOM 0 HG2 GLU A 72 2.763 9.480 -7.125 1.00 0.29 H new ATOM 0 HG3 GLU A 72 2.407 11.131 -7.592 1.00 0.29 H new ATOM 368 N LEU A 73 5.949 10.084 -3.766 1.00 0.16 N ATOM 369 CA LEU A 73 6.961 10.211 -2.739 1.00 0.16 C ATOM 370 C LEU A 73 8.004 9.113 -2.926 1.00 0.15 C ATOM 371 O LEU A 73 9.206 9.369 -2.887 1.00 0.18 O ATOM 372 CB LEU A 73 6.305 10.085 -1.366 1.00 0.16 C ATOM 373 CG LEU A 73 7.258 9.820 -0.208 1.00 0.16 C ATOM 374 CD1 LEU A 73 7.576 11.103 0.536 1.00 0.23 C ATOM 375 CD2 LEU A 73 6.653 8.780 0.718 1.00 0.16 C ATOM 0 H LEU A 73 5.027 9.820 -3.420 1.00 0.16 H new ATOM 0 HA LEU A 73 7.448 11.184 -2.812 1.00 0.16 H new ATOM 0 HB2 LEU A 73 5.756 11.003 -1.159 1.00 0.16 H new ATOM 0 HB3 LEU A 73 5.574 9.278 -1.404 1.00 0.16 H new ATOM 0 HG LEU A 73 8.198 9.433 -0.601 1.00 0.16 H new ATOM 0 HD11 LEU A 73 8.258 10.887 1.358 1.00 0.23 H new ATOM 0 HD12 LEU A 73 8.043 11.813 -0.146 1.00 0.23 H new ATOM 0 HD13 LEU A 73 6.655 11.532 0.932 1.00 0.23 H new ATOM 0 HD21 LEU A 73 7.335 8.590 1.547 1.00 0.16 H new ATOM 0 HD22 LEU A 73 5.703 9.147 1.106 1.00 0.16 H new ATOM 0 HD23 LEU A 73 6.486 7.855 0.166 1.00 0.16 H new ATOM 387 N CYS A 74 7.524 7.893 -3.170 1.00 0.13 N ATOM 388 CA CYS A 74 8.380 6.731 -3.338 1.00 0.13 C ATOM 389 C CYS A 74 9.311 6.903 -4.547 1.00 0.15 C ATOM 390 O CYS A 74 10.387 6.313 -4.587 1.00 0.18 O ATOM 391 CB CYS A 74 7.503 5.484 -3.490 1.00 0.16 C ATOM 392 SG CYS A 74 8.363 3.917 -3.262 1.00 0.50 S ATOM 0 H CYS A 74 6.528 7.688 -3.256 1.00 0.13 H new ATOM 0 HA CYS A 74 9.014 6.619 -2.458 1.00 0.13 H new ATOM 0 HB2 CYS A 74 6.687 5.542 -2.770 1.00 0.16 H new ATOM 0 HB3 CYS A 74 7.053 5.493 -4.483 1.00 0.16 H new ATOM 0 HG CYS A 74 9.381 3.859 -4.068 1.00 0.50 H new ATOM 398 N LYS A 75 8.901 7.733 -5.516 1.00 0.18 N ATOM 399 CA LYS A 75 9.726 8.062 -6.669 1.00 0.22 C ATOM 400 C LYS A 75 11.073 8.607 -6.229 1.00 0.22 C ATOM 401 O LYS A 75 12.112 8.321 -6.820 1.00 0.26 O ATOM 402 CB LYS A 75 9.069 9.141 -7.491 1.00 0.28 C ATOM 403 CG LYS A 75 7.646 8.860 -7.886 1.00 0.57 C ATOM 404 CD LYS A 75 7.439 7.506 -8.521 1.00 0.61 C ATOM 405 CE LYS A 75 6.032 7.412 -9.096 1.00 0.38 C ATOM 406 NZ LYS A 75 5.850 8.284 -10.287 1.00 0.96 N ATOM 0 H LYS A 75 7.989 8.190 -5.516 1.00 0.18 H new ATOM 0 HA LYS A 75 9.851 7.147 -7.248 1.00 0.22 H new ATOM 0 HB2 LYS A 75 9.097 10.074 -6.928 1.00 0.28 H new ATOM 0 HB3 LYS A 75 9.657 9.297 -8.395 1.00 0.28 H new ATOM 0 HG2 LYS A 75 7.013 8.935 -7.002 1.00 0.57 H new ATOM 0 HG3 LYS A 75 7.314 9.630 -8.582 1.00 0.57 H new ATOM 0 HD2 LYS A 75 8.175 7.348 -9.310 1.00 0.61 H new ATOM 0 HD3 LYS A 75 7.592 6.721 -7.781 1.00 0.61 H new ATOM 0 HE2 LYS A 75 5.822 6.378 -9.370 1.00 0.38 H new ATOM 0 HE3 LYS A 75 5.309 7.692 -8.330 1.00 0.38 H new ATOM 0 HZ1 LYS A 75 4.966 8.029 -10.772 1.00 0.96 H new ATOM 0 HZ2 LYS A 75 5.805 9.278 -9.986 1.00 0.96 H new ATOM 0 HZ3 LYS A 75 6.651 8.155 -10.937 1.00 0.96 H new ATOM 420 N MET A 76 11.020 9.411 -5.180 1.00 0.22 N ATOM 421 CA MET A 76 12.177 10.145 -4.697 1.00 0.26 C ATOM 422 C MET A 76 12.946 9.282 -3.723 1.00 0.25 C ATOM 423 O MET A 76 14.174 9.290 -3.676 1.00 0.32 O ATOM 424 CB MET A 76 11.731 11.417 -3.964 1.00 0.29 C ATOM 425 CG MET A 76 10.402 11.977 -4.430 1.00 0.27 C ATOM 426 SD MET A 76 9.884 13.429 -3.490 1.00 0.32 S ATOM 427 CE MET A 76 9.858 12.773 -1.822 1.00 0.35 C ATOM 0 H MET A 76 10.171 9.573 -4.638 1.00 0.22 H new ATOM 0 HA MET A 76 12.801 10.412 -5.550 1.00 0.26 H new ATOM 0 HB2 MET A 76 11.667 11.203 -2.897 1.00 0.29 H new ATOM 0 HB3 MET A 76 12.498 12.182 -4.090 1.00 0.29 H new ATOM 0 HG2 MET A 76 10.474 12.240 -5.485 1.00 0.27 H new ATOM 0 HG3 MET A 76 9.638 11.204 -4.346 1.00 0.27 H new ATOM 0 HE1 MET A 76 9.181 13.367 -1.208 1.00 0.35 H new ATOM 0 HE2 MET A 76 9.516 11.738 -1.843 1.00 0.35 H new ATOM 0 HE3 MET A 76 10.862 12.814 -1.399 1.00 0.35 H new ATOM 437 N GLN A 77 12.187 8.529 -2.953 1.00 0.21 N ATOM 438 CA GLN A 77 12.724 7.773 -1.844 1.00 0.22 C ATOM 439 C GLN A 77 13.382 6.489 -2.314 1.00 0.21 C ATOM 440 O GLN A 77 14.553 6.240 -2.030 1.00 0.24 O ATOM 441 CB GLN A 77 11.597 7.442 -0.881 1.00 0.23 C ATOM 442 CG GLN A 77 10.765 8.633 -0.447 1.00 0.30 C ATOM 443 CD GLN A 77 11.497 9.605 0.449 1.00 0.52 C ATOM 444 OE1 GLN A 77 12.713 9.780 0.359 1.00 0.98 O ATOM 445 NE2 GLN A 77 10.747 10.232 1.333 1.00 0.48 N ATOM 0 H GLN A 77 11.180 8.425 -3.080 1.00 0.21 H new ATOM 0 HA GLN A 77 13.484 8.378 -1.349 1.00 0.22 H new ATOM 0 HB2 GLN A 77 10.941 6.709 -1.349 1.00 0.23 H new ATOM 0 HB3 GLN A 77 12.021 6.970 0.005 1.00 0.23 H new ATOM 0 HG2 GLN A 77 10.419 9.163 -1.334 1.00 0.30 H new ATOM 0 HG3 GLN A 77 9.878 8.272 0.074 1.00 0.30 H new ATOM 0 HE21 GLN A 77 9.743 10.053 1.369 1.00 0.48 H new ATOM 0 HE22 GLN A 77 11.170 10.896 1.981 1.00 0.48 H new ATOM 454 N THR A 78 12.626 5.666 -3.023 1.00 0.18 N ATOM 455 CA THR A 78 13.139 4.411 -3.525 1.00 0.20 C ATOM 456 C THR A 78 13.709 4.619 -4.916 1.00 0.22 C ATOM 457 O THR A 78 13.450 3.849 -5.836 1.00 0.24 O ATOM 458 CB THR A 78 12.041 3.331 -3.561 1.00 0.20 C ATOM 459 OG1 THR A 78 11.040 3.666 -4.529 1.00 0.56 O ATOM 460 CG2 THR A 78 11.394 3.194 -2.194 1.00 0.42 C ATOM 0 H THR A 78 11.652 5.850 -3.262 1.00 0.18 H new ATOM 0 HA THR A 78 13.924 4.066 -2.852 1.00 0.20 H new ATOM 0 HB THR A 78 12.503 2.384 -3.839 1.00 0.20 H new ATOM 0 HG1 THR A 78 10.960 4.641 -4.593 1.00 0.56 H new ATOM 0 HG21 THR A 78 10.620 2.428 -2.233 1.00 0.42 H new ATOM 0 HG22 THR A 78 12.149 2.910 -1.461 1.00 0.42 H new ATOM 0 HG23 THR A 78 10.948 4.146 -1.905 1.00 0.42 H new ATOM 468 N ALA A 79 14.479 5.682 -5.059 1.00 0.25 N ATOM 469 CA ALA A 79 15.079 6.025 -6.331 1.00 0.30 C ATOM 470 C ALA A 79 16.211 5.060 -6.663 1.00 0.34 C ATOM 471 O ALA A 79 16.522 4.822 -7.829 1.00 0.42 O ATOM 472 CB ALA A 79 15.569 7.459 -6.289 1.00 0.32 C ATOM 0 H ALA A 79 14.704 6.327 -4.301 1.00 0.25 H new ATOM 0 HA ALA A 79 14.332 5.938 -7.120 1.00 0.30 H new ATOM 0 HB1 ALA A 79 16.021 7.717 -7.247 1.00 0.32 H new ATOM 0 HB2 ALA A 79 14.729 8.125 -6.093 1.00 0.32 H new ATOM 0 HB3 ALA A 79 16.310 7.567 -5.497 1.00 0.32 H new ATOM 478 N ASP A 80 16.817 4.500 -5.621 1.00 0.35 N ATOM 479 CA ASP A 80 17.857 3.491 -5.785 1.00 0.44 C ATOM 480 C ASP A 80 17.230 2.102 -5.912 1.00 0.38 C ATOM 481 O ASP A 80 17.886 1.140 -6.304 1.00 0.44 O ATOM 482 CB ASP A 80 18.824 3.537 -4.596 1.00 0.59 C ATOM 483 CG ASP A 80 20.035 2.645 -4.790 1.00 1.31 C ATOM 484 OD1 ASP A 80 20.887 2.977 -5.641 1.00 2.29 O ATOM 485 OD2 ASP A 80 20.153 1.626 -4.081 1.00 1.68 O ATOM 0 H ASP A 80 16.604 4.729 -4.650 1.00 0.35 H new ATOM 0 HA ASP A 80 18.415 3.702 -6.697 1.00 0.44 H new ATOM 0 HB2 ASP A 80 19.155 4.564 -4.442 1.00 0.59 H new ATOM 0 HB3 ASP A 80 18.296 3.234 -3.692 1.00 0.59 H new ATOM 490 N HIS A 81 15.945 2.009 -5.584 1.00 0.35 N ATOM 491 CA HIS A 81 15.208 0.748 -5.668 1.00 0.39 C ATOM 492 C HIS A 81 13.850 0.991 -6.329 1.00 0.34 C ATOM 493 O HIS A 81 12.809 0.829 -5.692 1.00 0.30 O ATOM 494 CB HIS A 81 14.988 0.149 -4.268 1.00 0.49 C ATOM 495 CG HIS A 81 16.217 0.095 -3.407 1.00 0.86 C ATOM 496 ND1 HIS A 81 16.340 0.818 -2.246 1.00 2.02 N ATOM 497 CD2 HIS A 81 17.374 -0.590 -3.541 1.00 0.60 C ATOM 498 CE1 HIS A 81 17.520 0.589 -1.707 1.00 2.11 C ATOM 499 NE2 HIS A 81 18.171 -0.264 -2.471 1.00 1.12 N ATOM 0 H HIS A 81 15.387 2.797 -5.255 1.00 0.35 H new ATOM 0 HA HIS A 81 15.793 0.047 -6.263 1.00 0.39 H new ATOM 0 HB2 HIS A 81 14.226 0.734 -3.753 1.00 0.49 H new ATOM 0 HB3 HIS A 81 14.594 -0.861 -4.378 1.00 0.49 H new ATOM 0 HD2 HIS A 81 17.626 -1.269 -4.342 1.00 0.60 H new ATOM 0 HE1 HIS A 81 17.891 1.027 -0.792 1.00 2.11 H new ATOM 0 HE2 HIS A 81 19.110 -0.622 -2.297 1.00 1.12 H new ATOM 508 N PRO A 82 13.838 1.375 -7.617 1.00 0.39 N ATOM 509 CA PRO A 82 12.621 1.833 -8.309 1.00 0.39 C ATOM 510 C PRO A 82 11.598 0.731 -8.608 1.00 0.35 C ATOM 511 O PRO A 82 10.715 0.917 -9.442 1.00 0.39 O ATOM 512 CB PRO A 82 13.169 2.404 -9.613 1.00 0.50 C ATOM 513 CG PRO A 82 14.416 1.641 -9.861 1.00 0.53 C ATOM 514 CD PRO A 82 15.012 1.408 -8.511 1.00 0.48 C ATOM 0 HA PRO A 82 12.066 2.535 -7.687 1.00 0.39 H new ATOM 0 HB2 PRO A 82 12.459 2.279 -10.430 1.00 0.50 H new ATOM 0 HB3 PRO A 82 13.369 3.472 -9.525 1.00 0.50 H new ATOM 0 HG2 PRO A 82 14.206 0.698 -10.366 1.00 0.53 H new ATOM 0 HG3 PRO A 82 15.098 2.200 -10.501 1.00 0.53 H new ATOM 0 HD2 PRO A 82 15.570 0.473 -8.475 1.00 0.48 H new ATOM 0 HD3 PRO A 82 15.704 2.203 -8.235 1.00 0.48 H new ATOM 522 N GLU A 83 11.709 -0.405 -7.936 1.00 0.29 N ATOM 523 CA GLU A 83 10.761 -1.496 -8.139 1.00 0.26 C ATOM 524 C GLU A 83 9.578 -1.372 -7.183 1.00 0.19 C ATOM 525 O GLU A 83 8.505 -1.913 -7.437 1.00 0.22 O ATOM 526 CB GLU A 83 11.432 -2.851 -7.945 1.00 0.33 C ATOM 527 CG GLU A 83 12.676 -3.044 -8.788 1.00 0.49 C ATOM 528 CD GLU A 83 13.064 -4.499 -8.908 1.00 1.32 C ATOM 529 OE1 GLU A 83 13.160 -5.174 -7.865 1.00 2.05 O ATOM 530 OE2 GLU A 83 13.307 -4.967 -10.039 1.00 1.72 O ATOM 0 H GLU A 83 12.439 -0.597 -7.250 1.00 0.29 H new ATOM 0 HA GLU A 83 10.400 -1.427 -9.165 1.00 0.26 H new ATOM 0 HB2 GLU A 83 11.695 -2.968 -6.894 1.00 0.33 H new ATOM 0 HB3 GLU A 83 10.717 -3.638 -8.184 1.00 0.33 H new ATOM 0 HG2 GLU A 83 12.506 -2.632 -9.783 1.00 0.49 H new ATOM 0 HG3 GLU A 83 13.502 -2.485 -8.348 1.00 0.49 H new ATOM 537 N VAL A 84 9.800 -0.663 -6.084 1.00 0.15 N ATOM 538 CA VAL A 84 8.794 -0.482 -5.044 1.00 0.11 C ATOM 539 C VAL A 84 7.497 0.100 -5.589 1.00 0.11 C ATOM 540 O VAL A 84 6.418 -0.463 -5.403 1.00 0.13 O ATOM 541 CB VAL A 84 9.303 0.485 -3.977 1.00 0.11 C ATOM 542 CG1 VAL A 84 8.330 0.522 -2.828 1.00 0.13 C ATOM 543 CG2 VAL A 84 10.696 0.107 -3.514 1.00 0.14 C ATOM 0 H VAL A 84 10.685 -0.196 -5.888 1.00 0.15 H new ATOM 0 HA VAL A 84 8.604 -1.472 -4.630 1.00 0.11 H new ATOM 0 HB VAL A 84 9.373 1.484 -4.407 1.00 0.11 H new ATOM 0 HG11 VAL A 84 8.693 1.212 -2.066 1.00 0.13 H new ATOM 0 HG12 VAL A 84 7.356 0.856 -3.186 1.00 0.13 H new ATOM 0 HG13 VAL A 84 8.236 -0.475 -2.399 1.00 0.13 H new ATOM 0 HG21 VAL A 84 11.031 0.814 -2.755 1.00 0.14 H new ATOM 0 HG22 VAL A 84 10.679 -0.898 -3.092 1.00 0.14 H new ATOM 0 HG23 VAL A 84 11.381 0.133 -4.362 1.00 0.14 H new ATOM 553 N VAL A 85 7.626 1.245 -6.239 1.00 0.11 N ATOM 554 CA VAL A 85 6.488 1.967 -6.802 1.00 0.13 C ATOM 555 C VAL A 85 5.646 1.069 -7.722 1.00 0.15 C ATOM 556 O VAL A 85 4.447 0.913 -7.493 1.00 0.16 O ATOM 557 CB VAL A 85 6.960 3.226 -7.559 1.00 0.15 C ATOM 558 CG1 VAL A 85 5.789 4.103 -7.939 1.00 0.18 C ATOM 559 CG2 VAL A 85 7.956 4.006 -6.721 1.00 0.15 C ATOM 0 H VAL A 85 8.524 1.704 -6.393 1.00 0.11 H new ATOM 0 HA VAL A 85 5.854 2.277 -5.971 1.00 0.13 H new ATOM 0 HB VAL A 85 7.452 2.903 -8.477 1.00 0.15 H new ATOM 0 HG11 VAL A 85 6.151 4.983 -8.471 1.00 0.18 H new ATOM 0 HG12 VAL A 85 5.109 3.544 -8.582 1.00 0.18 H new ATOM 0 HG13 VAL A 85 5.261 4.416 -7.038 1.00 0.18 H new ATOM 0 HG21 VAL A 85 8.279 4.891 -7.270 1.00 0.15 H new ATOM 0 HG22 VAL A 85 7.485 4.310 -5.786 1.00 0.15 H new ATOM 0 HG23 VAL A 85 8.820 3.378 -6.505 1.00 0.15 H new ATOM 569 N PRO A 86 6.249 0.457 -8.768 1.00 0.17 N ATOM 570 CA PRO A 86 5.534 -0.488 -9.635 1.00 0.20 C ATOM 571 C PRO A 86 4.932 -1.659 -8.859 1.00 0.18 C ATOM 572 O PRO A 86 3.852 -2.141 -9.204 1.00 0.20 O ATOM 573 CB PRO A 86 6.605 -0.989 -10.601 1.00 0.23 C ATOM 574 CG PRO A 86 7.648 0.072 -10.599 1.00 0.22 C ATOM 575 CD PRO A 86 7.641 0.655 -9.216 1.00 0.17 C ATOM 0 HA PRO A 86 4.689 -0.009 -10.130 1.00 0.20 H new ATOM 0 HB2 PRO A 86 7.014 -1.946 -10.276 1.00 0.23 H new ATOM 0 HB3 PRO A 86 6.197 -1.140 -11.600 1.00 0.23 H new ATOM 0 HG2 PRO A 86 8.626 -0.342 -10.843 1.00 0.22 H new ATOM 0 HG3 PRO A 86 7.430 0.836 -11.346 1.00 0.22 H new ATOM 0 HD2 PRO A 86 8.350 0.147 -8.562 1.00 0.17 H new ATOM 0 HD3 PRO A 86 7.914 1.710 -9.223 1.00 0.17 H new ATOM 583 N PHE A 87 5.629 -2.114 -7.817 1.00 0.16 N ATOM 584 CA PHE A 87 5.116 -3.183 -6.962 1.00 0.15 C ATOM 585 C PHE A 87 3.818 -2.730 -6.300 1.00 0.14 C ATOM 586 O PHE A 87 2.794 -3.404 -6.399 1.00 0.16 O ATOM 587 CB PHE A 87 6.154 -3.570 -5.893 1.00 0.17 C ATOM 588 CG PHE A 87 5.808 -4.788 -5.065 1.00 0.21 C ATOM 589 CD1 PHE A 87 4.569 -5.401 -5.157 1.00 0.44 C ATOM 590 CD2 PHE A 87 6.739 -5.315 -4.189 1.00 0.21 C ATOM 591 CE1 PHE A 87 4.266 -6.512 -4.396 1.00 0.52 C ATOM 592 CE2 PHE A 87 6.442 -6.426 -3.422 1.00 0.25 C ATOM 593 CZ PHE A 87 5.205 -7.024 -3.525 1.00 0.38 C ATOM 0 H PHE A 87 6.547 -1.760 -7.546 1.00 0.16 H new ATOM 0 HA PHE A 87 4.919 -4.061 -7.576 1.00 0.15 H new ATOM 0 HB2 PHE A 87 7.110 -3.746 -6.386 1.00 0.17 H new ATOM 0 HB3 PHE A 87 6.293 -2.723 -5.222 1.00 0.17 H new ATOM 0 HD1 PHE A 87 3.828 -5.003 -5.835 1.00 0.44 H new ATOM 0 HD2 PHE A 87 7.711 -4.852 -4.103 1.00 0.21 H new ATOM 0 HE1 PHE A 87 3.296 -6.979 -4.482 1.00 0.52 H new ATOM 0 HE2 PHE A 87 7.180 -6.825 -2.742 1.00 0.25 H new ATOM 0 HZ PHE A 87 4.971 -7.891 -2.925 1.00 0.38 H new ATOM 603 N LEU A 88 3.863 -1.581 -5.639 1.00 0.12 N ATOM 604 CA LEU A 88 2.685 -1.043 -4.976 1.00 0.13 C ATOM 605 C LEU A 88 1.545 -0.844 -5.962 1.00 0.14 C ATOM 606 O LEU A 88 0.387 -1.129 -5.648 1.00 0.16 O ATOM 607 CB LEU A 88 3.012 0.272 -4.279 1.00 0.13 C ATOM 608 CG LEU A 88 3.957 0.154 -3.091 1.00 0.12 C ATOM 609 CD1 LEU A 88 3.951 1.453 -2.297 1.00 0.16 C ATOM 610 CD2 LEU A 88 3.563 -1.031 -2.218 1.00 0.20 C ATOM 0 H LEU A 88 4.700 -1.006 -5.548 1.00 0.12 H new ATOM 0 HA LEU A 88 2.367 -1.767 -4.226 1.00 0.13 H new ATOM 0 HB2 LEU A 88 3.452 0.952 -5.008 1.00 0.13 H new ATOM 0 HB3 LEU A 88 2.081 0.727 -3.940 1.00 0.13 H new ATOM 0 HG LEU A 88 4.971 -0.022 -3.452 1.00 0.12 H new ATOM 0 HD11 LEU A 88 4.629 1.364 -1.448 1.00 0.16 H new ATOM 0 HD12 LEU A 88 4.278 2.272 -2.937 1.00 0.16 H new ATOM 0 HD13 LEU A 88 2.942 1.654 -1.936 1.00 0.16 H new ATOM 0 HD21 LEU A 88 4.247 -1.103 -1.372 1.00 0.20 H new ATOM 0 HD22 LEU A 88 2.546 -0.891 -1.851 1.00 0.20 H new ATOM 0 HD23 LEU A 88 3.613 -1.948 -2.805 1.00 0.20 H new ATOM 622 N TYR A 89 1.879 -0.368 -7.157 1.00 0.16 N ATOM 623 CA TYR A 89 0.890 -0.244 -8.228 1.00 0.20 C ATOM 624 C TYR A 89 0.247 -1.596 -8.502 1.00 0.21 C ATOM 625 O TYR A 89 -0.977 -1.745 -8.494 1.00 0.25 O ATOM 626 CB TYR A 89 1.537 0.210 -9.541 1.00 0.22 C ATOM 627 CG TYR A 89 1.646 1.699 -9.761 1.00 0.26 C ATOM 628 CD1 TYR A 89 0.524 2.459 -10.064 1.00 0.34 C ATOM 629 CD2 TYR A 89 2.876 2.335 -9.711 1.00 0.28 C ATOM 630 CE1 TYR A 89 0.627 3.816 -10.306 1.00 0.42 C ATOM 631 CE2 TYR A 89 2.990 3.687 -9.960 1.00 0.37 C ATOM 632 CZ TYR A 89 1.864 4.425 -10.255 1.00 0.43 C ATOM 633 OH TYR A 89 1.981 5.770 -10.514 1.00 0.54 O ATOM 0 H TYR A 89 2.819 -0.063 -7.410 1.00 0.16 H new ATOM 0 HA TYR A 89 0.156 0.491 -7.897 1.00 0.20 H new ATOM 0 HB2 TYR A 89 2.539 -0.216 -9.592 1.00 0.22 H new ATOM 0 HB3 TYR A 89 0.967 -0.216 -10.367 1.00 0.22 H new ATOM 0 HD1 TYR A 89 -0.444 1.982 -10.111 1.00 0.34 H new ATOM 0 HD2 TYR A 89 3.760 1.763 -9.473 1.00 0.28 H new ATOM 0 HE1 TYR A 89 -0.255 4.396 -10.534 1.00 0.42 H new ATOM 0 HE2 TYR A 89 3.958 4.165 -9.924 1.00 0.37 H new ATOM 0 HH TYR A 89 2.920 6.038 -10.434 1.00 0.54 H new ATOM 643 N ASN A 90 1.110 -2.581 -8.710 1.00 0.19 N ATOM 644 CA ASN A 90 0.706 -3.916 -9.118 1.00 0.23 C ATOM 645 C ASN A 90 -0.139 -4.569 -8.039 1.00 0.22 C ATOM 646 O ASN A 90 -1.197 -5.127 -8.320 1.00 0.27 O ATOM 647 CB ASN A 90 1.953 -4.757 -9.390 1.00 0.27 C ATOM 648 CG ASN A 90 1.702 -5.973 -10.263 1.00 0.48 C ATOM 649 OD1 ASN A 90 0.518 -6.546 -10.177 1.00 1.33 O flip ATOM 650 ND2 ASN A 90 2.581 -6.403 -11.009 1.00 0.67 N flip ATOM 0 H ASN A 90 2.118 -2.473 -8.599 1.00 0.19 H new ATOM 0 HA ASN A 90 0.107 -3.847 -10.026 1.00 0.23 H new ATOM 0 HB2 ASN A 90 2.705 -4.129 -9.868 1.00 0.27 H new ATOM 0 HB3 ASN A 90 2.371 -5.086 -8.439 1.00 0.27 H new ATOM 0 HD21 ASN A 90 3.487 -5.936 -11.052 1.00 0.67 H new ATOM 0 HD22 ASN A 90 2.404 -7.226 -11.584 1.00 0.67 H new ATOM 657 N ARG A 91 0.327 -4.485 -6.804 1.00 0.19 N ATOM 658 CA ARG A 91 -0.360 -5.102 -5.682 1.00 0.20 C ATOM 659 C ARG A 91 -1.735 -4.478 -5.466 1.00 0.20 C ATOM 660 O ARG A 91 -2.684 -5.179 -5.123 1.00 0.22 O ATOM 661 CB ARG A 91 0.481 -4.990 -4.411 1.00 0.22 C ATOM 662 CG ARG A 91 -0.196 -5.573 -3.179 1.00 0.26 C ATOM 663 CD ARG A 91 -0.457 -7.061 -3.311 1.00 0.36 C ATOM 664 NE ARG A 91 0.246 -7.809 -2.273 1.00 0.80 N ATOM 665 CZ ARG A 91 0.954 -8.918 -2.492 1.00 0.73 C ATOM 666 NH1 ARG A 91 1.032 -9.442 -3.711 1.00 1.38 N ATOM 667 NH2 ARG A 91 1.600 -9.500 -1.489 1.00 1.25 N ATOM 0 H ARG A 91 1.184 -3.992 -6.552 1.00 0.19 H new ATOM 0 HA ARG A 91 -0.502 -6.157 -5.916 1.00 0.20 H new ATOM 0 HB2 ARG A 91 1.432 -5.500 -4.568 1.00 0.22 H new ATOM 0 HB3 ARG A 91 0.709 -3.940 -4.227 1.00 0.22 H new ATOM 0 HG2 ARG A 91 0.430 -5.393 -2.305 1.00 0.26 H new ATOM 0 HG3 ARG A 91 -1.140 -5.055 -3.007 1.00 0.26 H new ATOM 0 HD2 ARG A 91 -1.528 -7.254 -3.241 1.00 0.36 H new ATOM 0 HD3 ARG A 91 -0.134 -7.405 -4.294 1.00 0.36 H new ATOM 0 HE ARG A 91 0.192 -7.460 -1.316 1.00 0.80 H new ATOM 0 HH11 ARG A 91 0.548 -8.996 -4.490 1.00 1.38 H new ATOM 0 HH12 ARG A 91 1.576 -10.290 -3.868 1.00 1.38 H new ATOM 0 HH21 ARG A 91 1.555 -9.099 -0.552 1.00 1.25 H new ATOM 0 HH22 ARG A 91 2.142 -10.348 -1.655 1.00 1.25 H new ATOM 681 N GLN A 92 -1.845 -3.170 -5.679 1.00 0.19 N ATOM 682 CA GLN A 92 -3.126 -2.484 -5.533 1.00 0.21 C ATOM 683 C GLN A 92 -4.115 -2.992 -6.575 1.00 0.24 C ATOM 684 O GLN A 92 -5.314 -3.090 -6.319 1.00 0.26 O ATOM 685 CB GLN A 92 -2.966 -0.969 -5.667 1.00 0.23 C ATOM 686 CG GLN A 92 -4.241 -0.206 -5.338 1.00 0.34 C ATOM 687 CD GLN A 92 -4.131 1.278 -5.607 1.00 0.45 C ATOM 688 OE1 GLN A 92 -3.388 1.715 -6.484 1.00 0.71 O ATOM 689 NE2 GLN A 92 -4.890 2.065 -4.863 1.00 0.78 N ATOM 0 H GLN A 92 -1.069 -2.567 -5.951 1.00 0.19 H new ATOM 0 HA GLN A 92 -3.507 -2.699 -4.535 1.00 0.21 H new ATOM 0 HB2 GLN A 92 -2.167 -0.633 -5.006 1.00 0.23 H new ATOM 0 HB3 GLN A 92 -2.658 -0.730 -6.685 1.00 0.23 H new ATOM 0 HG2 GLN A 92 -5.064 -0.615 -5.924 1.00 0.34 H new ATOM 0 HG3 GLN A 92 -4.490 -0.361 -4.288 1.00 0.34 H new ATOM 0 HE21 GLN A 92 -5.493 1.662 -4.146 1.00 0.78 H new ATOM 0 HE22 GLN A 92 -4.873 3.075 -5.007 1.00 0.78 H new ATOM 698 N GLN A 93 -3.599 -3.316 -7.756 1.00 0.26 N ATOM 699 CA GLN A 93 -4.429 -3.856 -8.827 1.00 0.32 C ATOM 700 C GLN A 93 -4.828 -5.293 -8.497 1.00 0.34 C ATOM 701 O GLN A 93 -5.867 -5.780 -8.941 1.00 0.40 O ATOM 702 CB GLN A 93 -3.698 -3.825 -10.178 1.00 0.36 C ATOM 703 CG GLN A 93 -3.122 -2.476 -10.574 1.00 0.38 C ATOM 704 CD GLN A 93 -4.113 -1.351 -10.433 1.00 0.44 C ATOM 705 OE1 GLN A 93 -4.888 -1.055 -11.343 1.00 0.71 O ATOM 706 NE2 GLN A 93 -4.071 -0.703 -9.293 1.00 0.57 N ATOM 0 H GLN A 93 -2.613 -3.214 -7.995 1.00 0.26 H new ATOM 0 HA GLN A 93 -5.319 -3.231 -8.908 1.00 0.32 H new ATOM 0 HB2 GLN A 93 -2.888 -4.554 -10.151 1.00 0.36 H new ATOM 0 HB3 GLN A 93 -4.391 -4.148 -10.955 1.00 0.36 H new ATOM 0 HG2 GLN A 93 -2.249 -2.264 -9.957 1.00 0.38 H new ATOM 0 HG3 GLN A 93 -2.778 -2.523 -11.607 1.00 0.38 H new ATOM 0 HE21 GLN A 93 -3.411 -0.987 -8.569 1.00 0.57 H new ATOM 0 HE22 GLN A 93 -4.699 0.084 -9.131 1.00 0.57 H new ATOM 715 N ARG A 94 -3.987 -5.964 -7.707 1.00 0.33 N ATOM 716 CA ARG A 94 -4.250 -7.333 -7.269 1.00 0.38 C ATOM 717 C ARG A 94 -5.211 -7.329 -6.091 1.00 0.32 C ATOM 718 O ARG A 94 -5.698 -8.374 -5.658 1.00 0.46 O ATOM 719 CB ARG A 94 -2.946 -8.027 -6.860 1.00 0.47 C ATOM 720 CG ARG A 94 -1.894 -8.025 -7.950 1.00 0.70 C ATOM 721 CD ARG A 94 -2.385 -8.731 -9.196 1.00 0.95 C ATOM 722 NE ARG A 94 -2.598 -10.157 -8.962 1.00 1.67 N ATOM 723 CZ ARG A 94 -2.720 -11.061 -9.932 1.00 2.40 C ATOM 724 NH1 ARG A 94 -2.685 -10.694 -11.206 1.00 2.73 N ATOM 725 NH2 ARG A 94 -2.881 -12.339 -9.626 1.00 3.24 N ATOM 0 H ARG A 94 -3.111 -5.576 -7.356 1.00 0.33 H new ATOM 0 HA ARG A 94 -4.697 -7.878 -8.100 1.00 0.38 H new ATOM 0 HB2 ARG A 94 -2.543 -7.534 -5.976 1.00 0.47 H new ATOM 0 HB3 ARG A 94 -3.164 -9.057 -6.578 1.00 0.47 H new ATOM 0 HG2 ARG A 94 -1.624 -6.998 -8.195 1.00 0.70 H new ATOM 0 HG3 ARG A 94 -0.990 -8.514 -7.586 1.00 0.70 H new ATOM 0 HD2 ARG A 94 -3.317 -8.274 -9.530 1.00 0.95 H new ATOM 0 HD3 ARG A 94 -1.660 -8.599 -9.999 1.00 0.95 H new ATOM 0 HE ARG A 94 -2.657 -10.480 -7.996 1.00 1.67 H new ATOM 0 HH11 ARG A 94 -2.564 -9.711 -11.450 1.00 2.73 H new ATOM 0 HH12 ARG A 94 -2.779 -11.395 -11.941 1.00 2.73 H new ATOM 0 HH21 ARG A 94 -2.911 -12.629 -8.649 1.00 3.24 H new ATOM 0 HH22 ARG A 94 -2.975 -13.033 -10.368 1.00 3.24 H new ATOM 739 N ALA A 95 -5.458 -6.143 -5.566 1.00 0.28 N ATOM 740 CA ALA A 95 -6.360 -5.970 -4.455 1.00 0.25 C ATOM 741 C ALA A 95 -7.777 -5.739 -4.965 1.00 0.26 C ATOM 742 O ALA A 95 -7.973 -5.171 -6.040 1.00 0.36 O ATOM 743 CB ALA A 95 -5.875 -4.812 -3.601 1.00 0.25 C ATOM 0 H ALA A 95 -5.037 -5.277 -5.901 1.00 0.28 H new ATOM 0 HA ALA A 95 -6.377 -6.870 -3.840 1.00 0.25 H new ATOM 0 HB1 ALA A 95 -6.552 -4.674 -2.758 1.00 0.25 H new ATOM 0 HB2 ALA A 95 -4.873 -5.028 -3.231 1.00 0.25 H new ATOM 0 HB3 ALA A 95 -5.852 -3.902 -4.201 1.00 0.25 H new ATOM 749 N HIS A 96 -8.758 -6.199 -4.205 1.00 0.29 N ATOM 750 CA HIS A 96 -10.153 -6.092 -4.612 1.00 0.29 C ATOM 751 C HIS A 96 -10.666 -4.683 -4.349 1.00 0.27 C ATOM 752 O HIS A 96 -10.513 -4.151 -3.249 1.00 0.29 O ATOM 753 CB HIS A 96 -11.012 -7.123 -3.875 1.00 0.33 C ATOM 754 CG HIS A 96 -12.349 -7.354 -4.504 1.00 0.37 C ATOM 755 ND1 HIS A 96 -13.460 -6.643 -4.120 1.00 0.38 N ATOM 756 CD2 HIS A 96 -12.696 -8.224 -5.482 1.00 0.45 C ATOM 757 CE1 HIS A 96 -14.453 -7.094 -4.870 1.00 0.46 C ATOM 758 NE2 HIS A 96 -14.035 -8.052 -5.708 1.00 0.50 N ATOM 0 H HIS A 96 -8.615 -6.651 -3.302 1.00 0.29 H new ATOM 0 HA HIS A 96 -10.221 -6.297 -5.680 1.00 0.29 H new ATOM 0 HB2 HIS A 96 -10.472 -8.069 -3.833 1.00 0.33 H new ATOM 0 HB3 HIS A 96 -11.157 -6.793 -2.846 1.00 0.33 H new ATOM 0 HD2 HIS A 96 -12.042 -8.920 -5.987 1.00 0.45 H new ATOM 0 HE1 HIS A 96 -15.470 -6.736 -4.814 1.00 0.46 H new ATOM 0 HE2 HIS A 96 -14.606 -8.557 -6.386 1.00 0.50 H new ATOM 766 N SER A 97 -11.295 -4.100 -5.359 1.00 0.32 N ATOM 767 CA SER A 97 -11.655 -2.691 -5.351 1.00 0.37 C ATOM 768 C SER A 97 -12.626 -2.313 -4.230 1.00 0.33 C ATOM 769 O SER A 97 -12.708 -1.144 -3.861 1.00 0.39 O ATOM 770 CB SER A 97 -12.238 -2.320 -6.713 1.00 0.48 C ATOM 771 OG SER A 97 -13.107 -3.337 -7.182 1.00 1.46 O ATOM 0 H SER A 97 -11.570 -4.592 -6.209 1.00 0.32 H new ATOM 0 HA SER A 97 -10.745 -2.124 -5.156 1.00 0.37 H new ATOM 0 HB2 SER A 97 -12.781 -1.378 -6.637 1.00 0.48 H new ATOM 0 HB3 SER A 97 -11.431 -2.166 -7.429 1.00 0.48 H new ATOM 0 HG SER A 97 -13.471 -3.079 -8.055 1.00 1.46 H new ATOM 777 N LEU A 98 -13.343 -3.283 -3.672 1.00 0.29 N ATOM 778 CA LEU A 98 -14.342 -2.986 -2.658 1.00 0.32 C ATOM 779 C LEU A 98 -13.709 -2.495 -1.360 1.00 0.35 C ATOM 780 O LEU A 98 -14.083 -1.438 -0.851 1.00 0.43 O ATOM 781 CB LEU A 98 -15.224 -4.200 -2.405 1.00 0.35 C ATOM 782 CG LEU A 98 -16.233 -4.494 -3.516 1.00 0.40 C ATOM 783 CD1 LEU A 98 -17.157 -5.625 -3.108 1.00 0.70 C ATOM 784 CD2 LEU A 98 -17.030 -3.242 -3.852 1.00 0.67 C ATOM 0 H LEU A 98 -13.251 -4.272 -3.904 1.00 0.29 H new ATOM 0 HA LEU A 98 -14.964 -2.176 -3.039 1.00 0.32 H new ATOM 0 HB2 LEU A 98 -14.587 -5.074 -2.270 1.00 0.35 H new ATOM 0 HB3 LEU A 98 -15.765 -4.052 -1.470 1.00 0.35 H new ATOM 0 HG LEU A 98 -15.688 -4.804 -4.408 1.00 0.40 H new ATOM 0 HD11 LEU A 98 -17.868 -5.821 -3.910 1.00 0.70 H new ATOM 0 HD12 LEU A 98 -16.570 -6.523 -2.916 1.00 0.70 H new ATOM 0 HD13 LEU A 98 -17.698 -5.345 -2.204 1.00 0.70 H new ATOM 0 HD21 LEU A 98 -17.744 -3.467 -4.644 1.00 0.67 H new ATOM 0 HD22 LEU A 98 -17.566 -2.903 -2.966 1.00 0.67 H new ATOM 0 HD23 LEU A 98 -16.351 -2.458 -4.187 1.00 0.67 H new ATOM 796 N PHE A 99 -12.763 -3.258 -0.820 1.00 0.32 N ATOM 797 CA PHE A 99 -12.033 -2.820 0.368 1.00 0.34 C ATOM 798 C PHE A 99 -11.321 -1.505 0.096 1.00 0.34 C ATOM 799 O PHE A 99 -11.359 -0.586 0.917 1.00 0.39 O ATOM 800 CB PHE A 99 -11.018 -3.871 0.824 1.00 0.36 C ATOM 801 CG PHE A 99 -9.908 -3.303 1.670 1.00 0.31 C ATOM 802 CD1 PHE A 99 -10.169 -2.774 2.926 1.00 0.44 C ATOM 803 CD2 PHE A 99 -8.603 -3.278 1.197 1.00 0.38 C ATOM 804 CE1 PHE A 99 -9.152 -2.236 3.692 1.00 0.57 C ATOM 805 CE2 PHE A 99 -7.584 -2.739 1.958 1.00 0.49 C ATOM 806 CZ PHE A 99 -7.859 -2.219 3.207 1.00 0.58 C ATOM 0 H PHE A 99 -12.486 -4.171 -1.180 1.00 0.32 H new ATOM 0 HA PHE A 99 -12.761 -2.680 1.167 1.00 0.34 H new ATOM 0 HB2 PHE A 99 -11.537 -4.645 1.390 1.00 0.36 H new ATOM 0 HB3 PHE A 99 -10.586 -4.353 -0.053 1.00 0.36 H new ATOM 0 HD1 PHE A 99 -11.179 -2.783 3.310 1.00 0.44 H new ATOM 0 HD2 PHE A 99 -8.382 -3.685 0.222 1.00 0.38 H new ATOM 0 HE1 PHE A 99 -9.368 -1.829 4.669 1.00 0.57 H new ATOM 0 HE2 PHE A 99 -6.574 -2.724 1.577 1.00 0.49 H new ATOM 0 HZ PHE A 99 -7.063 -1.799 3.805 1.00 0.58 H new ATOM 816 N LEU A 100 -10.667 -1.430 -1.056 1.00 0.31 N ATOM 817 CA LEU A 100 -9.958 -0.228 -1.451 1.00 0.36 C ATOM 818 C LEU A 100 -10.901 0.973 -1.419 1.00 0.45 C ATOM 819 O LEU A 100 -10.599 1.988 -0.798 1.00 0.79 O ATOM 820 CB LEU A 100 -9.366 -0.417 -2.849 1.00 0.37 C ATOM 821 CG LEU A 100 -8.649 -1.756 -3.055 1.00 0.35 C ATOM 822 CD1 LEU A 100 -8.243 -1.936 -4.501 1.00 0.82 C ATOM 823 CD2 LEU A 100 -7.432 -1.870 -2.155 1.00 0.70 C ATOM 0 H LEU A 100 -10.615 -2.192 -1.732 1.00 0.31 H new ATOM 0 HA LEU A 100 -9.145 -0.040 -0.750 1.00 0.36 H new ATOM 0 HB2 LEU A 100 -10.166 -0.330 -3.584 1.00 0.37 H new ATOM 0 HB3 LEU A 100 -8.663 0.392 -3.045 1.00 0.37 H new ATOM 0 HG LEU A 100 -9.350 -2.547 -2.789 1.00 0.35 H new ATOM 0 HD11 LEU A 100 -7.736 -2.894 -4.620 1.00 0.82 H new ATOM 0 HD12 LEU A 100 -9.130 -1.914 -5.134 1.00 0.82 H new ATOM 0 HD13 LEU A 100 -7.569 -1.130 -4.793 1.00 0.82 H new ATOM 0 HD21 LEU A 100 -6.944 -2.830 -2.323 1.00 0.70 H new ATOM 0 HD22 LEU A 100 -6.735 -1.064 -2.382 1.00 0.70 H new ATOM 0 HD23 LEU A 100 -7.742 -1.798 -1.113 1.00 0.70 H new ATOM 835 N ALA A 101 -12.075 0.820 -2.025 1.00 0.28 N ATOM 836 CA ALA A 101 -13.062 1.893 -2.096 1.00 0.33 C ATOM 837 C ALA A 101 -13.864 2.014 -0.798 1.00 0.36 C ATOM 838 O ALA A 101 -15.088 2.141 -0.821 1.00 0.57 O ATOM 839 CB ALA A 101 -13.999 1.663 -3.272 1.00 0.36 C ATOM 0 H ALA A 101 -12.368 -0.046 -2.478 1.00 0.28 H new ATOM 0 HA ALA A 101 -12.524 2.830 -2.239 1.00 0.33 H new ATOM 0 HB1 ALA A 101 -14.732 2.469 -3.316 1.00 0.36 H new ATOM 0 HB2 ALA A 101 -13.424 1.644 -4.198 1.00 0.36 H new ATOM 0 HB3 ALA A 101 -14.514 0.711 -3.146 1.00 0.36 H new ATOM 845 N SER A 102 -13.163 2.014 0.322 1.00 0.34 N ATOM 846 CA SER A 102 -13.787 2.084 1.629 1.00 0.36 C ATOM 847 C SER A 102 -13.031 3.062 2.517 1.00 0.36 C ATOM 848 O SER A 102 -11.894 3.436 2.216 1.00 0.46 O ATOM 849 CB SER A 102 -13.830 0.697 2.281 1.00 0.40 C ATOM 850 OG SER A 102 -14.641 -0.197 1.537 1.00 1.39 O ATOM 0 H SER A 102 -12.145 1.965 0.350 1.00 0.34 H new ATOM 0 HA SER A 102 -14.811 2.437 1.507 1.00 0.36 H new ATOM 0 HB2 SER A 102 -12.819 0.297 2.357 1.00 0.40 H new ATOM 0 HB3 SER A 102 -14.216 0.782 3.297 1.00 0.40 H new ATOM 0 HG SER A 102 -14.160 -0.483 0.733 1.00 1.39 H new ATOM 856 N ALA A 103 -13.669 3.479 3.601 1.00 0.35 N ATOM 857 CA ALA A 103 -13.065 4.426 4.527 1.00 0.36 C ATOM 858 C ALA A 103 -11.830 3.834 5.179 1.00 0.29 C ATOM 859 O ALA A 103 -10.898 4.554 5.538 1.00 0.30 O ATOM 860 CB ALA A 103 -14.066 4.830 5.591 1.00 0.44 C ATOM 0 H ALA A 103 -14.607 3.175 3.861 1.00 0.35 H new ATOM 0 HA ALA A 103 -12.767 5.309 3.962 1.00 0.36 H new ATOM 0 HB1 ALA A 103 -13.602 5.538 6.277 1.00 0.44 H new ATOM 0 HB2 ALA A 103 -14.931 5.296 5.119 1.00 0.44 H new ATOM 0 HB3 ALA A 103 -14.386 3.947 6.143 1.00 0.44 H new ATOM 866 N GLU A 104 -11.823 2.519 5.309 1.00 0.29 N ATOM 867 CA GLU A 104 -10.739 1.836 5.986 1.00 0.30 C ATOM 868 C GLU A 104 -9.420 2.069 5.262 1.00 0.26 C ATOM 869 O GLU A 104 -8.434 2.485 5.869 1.00 0.30 O ATOM 870 CB GLU A 104 -11.028 0.339 6.092 1.00 0.39 C ATOM 871 CG GLU A 104 -9.992 -0.413 6.912 1.00 0.49 C ATOM 872 CD GLU A 104 -10.387 -1.850 7.187 1.00 1.02 C ATOM 873 OE1 GLU A 104 -11.518 -2.083 7.661 1.00 1.15 O ATOM 874 OE2 GLU A 104 -9.574 -2.755 6.910 1.00 1.81 O ATOM 0 H GLU A 104 -12.556 1.905 4.954 1.00 0.29 H new ATOM 0 HA GLU A 104 -10.657 2.245 6.993 1.00 0.30 H new ATOM 0 HB2 GLU A 104 -12.011 0.196 6.541 1.00 0.39 H new ATOM 0 HB3 GLU A 104 -11.070 -0.089 5.090 1.00 0.39 H new ATOM 0 HG2 GLU A 104 -9.038 -0.398 6.385 1.00 0.49 H new ATOM 0 HG3 GLU A 104 -9.840 0.104 7.859 1.00 0.49 H new ATOM 881 N PHE A 105 -9.416 1.842 3.955 1.00 0.22 N ATOM 882 CA PHE A 105 -8.194 1.963 3.175 1.00 0.20 C ATOM 883 C PHE A 105 -7.719 3.411 3.128 1.00 0.19 C ATOM 884 O PHE A 105 -6.515 3.674 3.150 1.00 0.16 O ATOM 885 CB PHE A 105 -8.393 1.409 1.767 1.00 0.21 C ATOM 886 CG PHE A 105 -7.101 1.240 1.025 1.00 0.18 C ATOM 887 CD1 PHE A 105 -6.009 0.672 1.658 1.00 0.18 C ATOM 888 CD2 PHE A 105 -6.972 1.649 -0.293 1.00 0.18 C ATOM 889 CE1 PHE A 105 -4.809 0.516 0.996 1.00 0.17 C ATOM 890 CE2 PHE A 105 -5.775 1.495 -0.966 1.00 0.17 C ATOM 891 CZ PHE A 105 -4.690 0.930 -0.320 1.00 0.16 C ATOM 0 H PHE A 105 -10.240 1.575 3.417 1.00 0.22 H new ATOM 0 HA PHE A 105 -7.420 1.372 3.665 1.00 0.20 H new ATOM 0 HB2 PHE A 105 -8.901 0.447 1.828 1.00 0.21 H new ATOM 0 HB3 PHE A 105 -9.045 2.079 1.206 1.00 0.21 H new ATOM 0 HD1 PHE A 105 -6.098 0.347 2.684 1.00 0.18 H new ATOM 0 HD2 PHE A 105 -7.816 2.093 -0.800 1.00 0.18 H new ATOM 0 HE1 PHE A 105 -3.965 0.072 1.503 1.00 0.17 H new ATOM 0 HE2 PHE A 105 -5.687 1.815 -1.994 1.00 0.17 H new ATOM 0 HZ PHE A 105 -3.752 0.812 -0.841 1.00 0.16 H new ATOM 901 N CYS A 106 -8.664 4.348 3.062 1.00 0.27 N ATOM 902 CA CYS A 106 -8.339 5.769 3.188 1.00 0.27 C ATOM 903 C CYS A 106 -7.506 6.025 4.450 1.00 0.27 C ATOM 904 O CYS A 106 -6.487 6.718 4.400 1.00 0.28 O ATOM 905 CB CYS A 106 -9.617 6.617 3.219 1.00 0.29 C ATOM 906 SG CYS A 106 -9.321 8.384 3.484 1.00 0.59 S ATOM 0 H CYS A 106 -9.655 4.151 2.923 1.00 0.27 H new ATOM 0 HA CYS A 106 -7.750 6.058 2.318 1.00 0.27 H new ATOM 0 HB2 CYS A 106 -10.151 6.486 2.278 1.00 0.29 H new ATOM 0 HB3 CYS A 106 -10.268 6.245 4.010 1.00 0.29 H new ATOM 0 HG CYS A 106 -9.892 9.067 2.536 1.00 0.59 H new ATOM 912 N ASN A 107 -7.938 5.448 5.574 1.00 0.28 N ATOM 913 CA ASN A 107 -7.194 5.547 6.836 1.00 0.30 C ATOM 914 C ASN A 107 -5.793 4.997 6.680 1.00 0.24 C ATOM 915 O ASN A 107 -4.819 5.672 6.987 1.00 0.23 O ATOM 916 CB ASN A 107 -7.894 4.770 7.950 1.00 0.37 C ATOM 917 CG ASN A 107 -9.024 5.547 8.605 1.00 0.46 C ATOM 918 OD1 ASN A 107 -8.815 6.244 9.598 1.00 0.78 O ATOM 919 ND2 ASN A 107 -10.225 5.440 8.058 1.00 0.64 N ATOM 0 H ASN A 107 -8.800 4.906 5.638 1.00 0.28 H new ATOM 0 HA ASN A 107 -7.150 6.604 7.099 1.00 0.30 H new ATOM 0 HB2 ASN A 107 -8.290 3.840 7.542 1.00 0.37 H new ATOM 0 HB3 ASN A 107 -7.161 4.498 8.710 1.00 0.37 H new ATOM 0 HD21 ASN A 107 -11.015 5.945 8.460 1.00 0.64 H new ATOM 0 HD22 ASN A 107 -10.360 4.853 7.235 1.00 0.64 H new ATOM 926 N ILE A 108 -5.711 3.770 6.190 1.00 0.21 N ATOM 927 CA ILE A 108 -4.436 3.097 5.988 1.00 0.17 C ATOM 928 C ILE A 108 -3.479 3.973 5.188 1.00 0.12 C ATOM 929 O ILE A 108 -2.360 4.247 5.622 1.00 0.12 O ATOM 930 CB ILE A 108 -4.659 1.755 5.256 1.00 0.17 C ATOM 931 CG1 ILE A 108 -4.877 0.619 6.253 1.00 0.23 C ATOM 932 CG2 ILE A 108 -3.521 1.427 4.300 1.00 0.14 C ATOM 933 CD1 ILE A 108 -6.237 0.650 6.897 1.00 0.39 C ATOM 0 H ILE A 108 -6.523 3.214 5.922 1.00 0.21 H new ATOM 0 HA ILE A 108 -3.991 2.906 6.964 1.00 0.17 H new ATOM 0 HB ILE A 108 -5.562 1.864 4.655 1.00 0.17 H new ATOM 0 HG12 ILE A 108 -4.745 -0.335 5.742 1.00 0.23 H new ATOM 0 HG13 ILE A 108 -4.113 0.673 7.029 1.00 0.23 H new ATOM 0 HG21 ILE A 108 -3.722 0.475 3.808 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -3.439 2.213 3.549 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -2.587 1.358 4.857 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -6.328 -0.183 7.594 1.00 0.39 H new ATOM 0 HD12 ILE A 108 -6.363 1.589 7.435 1.00 0.39 H new ATOM 0 HD13 ILE A 108 -7.005 0.566 6.129 1.00 0.39 H new ATOM 945 N LEU A 109 -3.946 4.427 4.040 1.00 0.12 N ATOM 946 CA LEU A 109 -3.142 5.238 3.145 1.00 0.12 C ATOM 947 C LEU A 109 -2.711 6.547 3.772 1.00 0.13 C ATOM 948 O LEU A 109 -1.524 6.853 3.812 1.00 0.13 O ATOM 949 CB LEU A 109 -3.928 5.519 1.886 1.00 0.15 C ATOM 950 CG LEU A 109 -3.765 4.466 0.811 1.00 0.16 C ATOM 951 CD1 LEU A 109 -4.826 4.634 -0.239 1.00 0.18 C ATOM 952 CD2 LEU A 109 -2.392 4.591 0.200 1.00 0.17 C ATOM 0 H LEU A 109 -4.891 4.245 3.702 1.00 0.12 H new ATOM 0 HA LEU A 109 -2.237 4.675 2.919 1.00 0.12 H new ATOM 0 HB2 LEU A 109 -4.984 5.603 2.141 1.00 0.15 H new ATOM 0 HB3 LEU A 109 -3.619 6.484 1.485 1.00 0.15 H new ATOM 0 HG LEU A 109 -3.872 3.474 1.250 1.00 0.16 H new ATOM 0 HD11 LEU A 109 -4.701 3.872 -1.008 1.00 0.18 H new ATOM 0 HD12 LEU A 109 -5.810 4.530 0.218 1.00 0.18 H new ATOM 0 HD13 LEU A 109 -4.738 5.622 -0.690 1.00 0.18 H new ATOM 0 HD21 LEU A 109 -2.269 3.835 -0.575 1.00 0.17 H new ATOM 0 HD22 LEU A 109 -2.278 5.582 -0.238 1.00 0.17 H new ATOM 0 HD23 LEU A 109 -1.636 4.446 0.972 1.00 0.17 H new ATOM 964 N SER A 110 -3.671 7.308 4.265 1.00 0.16 N ATOM 965 CA SER A 110 -3.382 8.609 4.848 1.00 0.20 C ATOM 966 C SER A 110 -2.381 8.471 5.986 1.00 0.19 C ATOM 967 O SER A 110 -1.493 9.303 6.163 1.00 0.22 O ATOM 968 CB SER A 110 -4.673 9.250 5.348 1.00 0.28 C ATOM 969 OG SER A 110 -5.374 8.377 6.217 1.00 1.18 O ATOM 0 H SER A 110 -4.658 7.049 4.274 1.00 0.16 H new ATOM 0 HA SER A 110 -2.943 9.249 4.083 1.00 0.20 H new ATOM 0 HB2 SER A 110 -4.443 10.179 5.869 1.00 0.28 H new ATOM 0 HB3 SER A 110 -5.306 9.509 4.499 1.00 0.28 H new ATOM 0 HG SER A 110 -5.805 7.670 5.693 1.00 1.18 H new ATOM 975 N ARG A 111 -2.531 7.393 6.736 1.00 0.18 N ATOM 976 CA ARG A 111 -1.660 7.102 7.854 1.00 0.19 C ATOM 977 C ARG A 111 -0.257 6.689 7.392 1.00 0.16 C ATOM 978 O ARG A 111 0.716 7.362 7.725 1.00 0.17 O ATOM 979 CB ARG A 111 -2.298 6.023 8.733 1.00 0.25 C ATOM 980 CG ARG A 111 -3.480 6.532 9.547 1.00 0.33 C ATOM 981 CD ARG A 111 -4.162 5.412 10.320 1.00 1.22 C ATOM 982 NE ARG A 111 -3.249 4.707 11.217 1.00 1.97 N ATOM 983 CZ ARG A 111 -3.640 3.779 12.093 1.00 2.79 C ATOM 984 NH1 ARG A 111 -4.930 3.481 12.223 1.00 3.10 N ATOM 985 NH2 ARG A 111 -2.743 3.153 12.844 1.00 3.73 N ATOM 0 H ARG A 111 -3.261 6.697 6.584 1.00 0.18 H new ATOM 0 HA ARG A 111 -1.538 8.012 8.442 1.00 0.19 H new ATOM 0 HB2 ARG A 111 -2.628 5.198 8.102 1.00 0.25 H new ATOM 0 HB3 ARG A 111 -1.544 5.623 9.411 1.00 0.25 H new ATOM 0 HG2 ARG A 111 -3.138 7.298 10.243 1.00 0.33 H new ATOM 0 HG3 ARG A 111 -4.202 7.006 8.882 1.00 0.33 H new ATOM 0 HD2 ARG A 111 -4.986 5.827 10.900 1.00 1.22 H new ATOM 0 HD3 ARG A 111 -4.594 4.701 9.616 1.00 1.22 H new ATOM 0 HE ARG A 111 -2.256 4.937 11.171 1.00 1.97 H new ATOM 0 HH11 ARG A 111 -5.625 3.962 11.652 1.00 3.10 H new ATOM 0 HH12 ARG A 111 -5.224 2.771 12.894 1.00 3.10 H new ATOM 0 HH21 ARG A 111 -1.753 3.381 12.752 1.00 3.73 H new ATOM 0 HH22 ARG A 111 -3.043 2.444 13.513 1.00 3.73 H new ATOM 999 N VAL A 112 -0.143 5.619 6.599 1.00 0.15 N ATOM 1000 CA VAL A 112 1.180 5.115 6.211 1.00 0.14 C ATOM 1001 C VAL A 112 1.918 6.093 5.304 1.00 0.14 C ATOM 1002 O VAL A 112 3.129 6.273 5.442 1.00 0.15 O ATOM 1003 CB VAL A 112 1.154 3.729 5.524 1.00 0.14 C ATOM 1004 CG1 VAL A 112 0.603 2.663 6.455 1.00 0.17 C ATOM 1005 CG2 VAL A 112 0.380 3.772 4.223 1.00 0.15 C ATOM 0 H VAL A 112 -0.931 5.094 6.220 1.00 0.15 H new ATOM 0 HA VAL A 112 1.710 5.006 7.157 1.00 0.14 H new ATOM 0 HB VAL A 112 2.184 3.462 5.286 1.00 0.14 H new ATOM 0 HG11 VAL A 112 0.598 1.701 5.943 1.00 0.17 H new ATOM 0 HG12 VAL A 112 1.230 2.598 7.344 1.00 0.17 H new ATOM 0 HG13 VAL A 112 -0.414 2.925 6.746 1.00 0.17 H new ATOM 0 HG21 VAL A 112 0.381 2.782 3.766 1.00 0.15 H new ATOM 0 HG22 VAL A 112 -0.647 4.079 4.421 1.00 0.15 H new ATOM 0 HG23 VAL A 112 0.848 4.485 3.545 1.00 0.15 H new ATOM 1015 N LEU A 113 1.199 6.729 4.385 1.00 0.15 N ATOM 1016 CA LEU A 113 1.804 7.675 3.486 1.00 0.16 C ATOM 1017 C LEU A 113 2.404 8.838 4.270 1.00 0.17 C ATOM 1018 O LEU A 113 3.553 9.215 4.052 1.00 0.20 O ATOM 1019 CB LEU A 113 0.757 8.158 2.486 1.00 0.16 C ATOM 1020 CG LEU A 113 0.847 9.623 2.112 1.00 0.20 C ATOM 1021 CD1 LEU A 113 2.044 9.872 1.211 1.00 0.20 C ATOM 1022 CD2 LEU A 113 -0.439 10.075 1.448 1.00 0.27 C ATOM 0 H LEU A 113 0.196 6.599 4.252 1.00 0.15 H new ATOM 0 HA LEU A 113 2.615 7.196 2.936 1.00 0.16 H new ATOM 0 HB2 LEU A 113 0.844 7.562 1.578 1.00 0.16 H new ATOM 0 HB3 LEU A 113 -0.233 7.966 2.900 1.00 0.16 H new ATOM 0 HG LEU A 113 0.985 10.208 3.021 1.00 0.20 H new ATOM 0 HD11 LEU A 113 2.092 10.930 0.953 1.00 0.20 H new ATOM 0 HD12 LEU A 113 2.957 9.584 1.731 1.00 0.20 H new ATOM 0 HD13 LEU A 113 1.943 9.281 0.301 1.00 0.20 H new ATOM 0 HD21 LEU A 113 -0.361 11.130 1.184 1.00 0.27 H new ATOM 0 HD22 LEU A 113 -0.609 9.487 0.546 1.00 0.27 H new ATOM 0 HD23 LEU A 113 -1.273 9.934 2.136 1.00 0.27 H new ATOM 1034 N SER A 114 1.632 9.377 5.202 1.00 0.17 N ATOM 1035 CA SER A 114 2.083 10.501 6.006 1.00 0.21 C ATOM 1036 C SER A 114 3.236 10.073 6.911 1.00 0.18 C ATOM 1037 O SER A 114 4.169 10.843 7.151 1.00 0.20 O ATOM 1038 CB SER A 114 0.919 11.055 6.824 1.00 0.26 C ATOM 1039 OG SER A 114 1.268 12.275 7.458 1.00 1.06 O ATOM 0 H SER A 114 0.690 9.053 5.420 1.00 0.17 H new ATOM 0 HA SER A 114 2.446 11.291 5.348 1.00 0.21 H new ATOM 0 HB2 SER A 114 0.058 11.214 6.174 1.00 0.26 H new ATOM 0 HB3 SER A 114 0.620 10.325 7.576 1.00 0.26 H new ATOM 0 HG SER A 114 0.503 12.607 7.973 1.00 1.06 H new ATOM 1045 N ARG A 115 3.168 8.837 7.403 1.00 0.15 N ATOM 1046 CA ARG A 115 4.261 8.256 8.167 1.00 0.16 C ATOM 1047 C ARG A 115 5.547 8.242 7.347 1.00 0.15 C ATOM 1048 O ARG A 115 6.609 8.621 7.838 1.00 0.18 O ATOM 1049 CB ARG A 115 3.912 6.834 8.601 1.00 0.20 C ATOM 1050 CG ARG A 115 2.879 6.772 9.707 1.00 0.31 C ATOM 1051 CD ARG A 115 3.390 7.425 10.972 1.00 0.53 C ATOM 1052 NE ARG A 115 2.575 7.078 12.134 1.00 0.89 N ATOM 1053 CZ ARG A 115 3.056 6.989 13.373 1.00 1.21 C ATOM 1054 NH1 ARG A 115 4.322 7.305 13.625 1.00 1.63 N ATOM 1055 NH2 ARG A 115 2.270 6.594 14.363 1.00 1.62 N ATOM 0 H ARG A 115 2.364 8.221 7.284 1.00 0.15 H new ATOM 0 HA ARG A 115 4.417 8.871 9.053 1.00 0.16 H new ATOM 0 HB2 ARG A 115 3.541 6.281 7.738 1.00 0.20 H new ATOM 0 HB3 ARG A 115 4.820 6.332 8.935 1.00 0.20 H new ATOM 0 HG2 ARG A 115 1.965 7.269 9.382 1.00 0.31 H new ATOM 0 HG3 ARG A 115 2.622 5.732 9.910 1.00 0.31 H new ATOM 0 HD2 ARG A 115 4.421 7.118 11.148 1.00 0.53 H new ATOM 0 HD3 ARG A 115 3.397 8.507 10.844 1.00 0.53 H new ATOM 0 HE ARG A 115 1.582 6.894 11.988 1.00 0.89 H new ATOM 0 HH11 ARG A 115 4.930 7.617 12.868 1.00 1.63 H new ATOM 0 HH12 ARG A 115 4.686 7.235 14.575 1.00 1.63 H new ATOM 0 HH21 ARG A 115 1.295 6.358 14.177 1.00 1.62 H new ATOM 0 HH22 ARG A 115 2.639 6.526 15.311 1.00 1.62 H new ATOM 1069 N ALA A 116 5.436 7.817 6.094 1.00 0.15 N ATOM 1070 CA ALA A 116 6.589 7.713 5.206 1.00 0.18 C ATOM 1071 C ALA A 116 7.081 9.085 4.755 1.00 0.21 C ATOM 1072 O ALA A 116 8.271 9.273 4.504 1.00 0.25 O ATOM 1073 CB ALA A 116 6.254 6.842 4.008 1.00 0.20 C ATOM 0 H ALA A 116 4.553 7.537 5.667 1.00 0.15 H new ATOM 0 HA ALA A 116 7.399 7.246 5.766 1.00 0.18 H new ATOM 0 HB1 ALA A 116 7.123 6.773 3.354 1.00 0.20 H new ATOM 0 HB2 ALA A 116 5.977 5.845 4.349 1.00 0.20 H new ATOM 0 HB3 ALA A 116 5.421 7.282 3.460 1.00 0.20 H new ATOM 1079 N ARG A 117 6.160 10.037 4.635 1.00 0.23 N ATOM 1080 CA ARG A 117 6.517 11.420 4.315 1.00 0.28 C ATOM 1081 C ARG A 117 7.387 12.005 5.424 1.00 0.29 C ATOM 1082 O ARG A 117 8.322 12.764 5.171 1.00 0.39 O ATOM 1083 CB ARG A 117 5.258 12.279 4.147 1.00 0.38 C ATOM 1084 CG ARG A 117 4.402 11.905 2.950 1.00 1.06 C ATOM 1085 CD ARG A 117 4.699 12.781 1.744 1.00 1.15 C ATOM 1086 NE ARG A 117 4.116 14.119 1.868 1.00 1.75 N ATOM 1087 CZ ARG A 117 3.785 14.887 0.830 1.00 2.25 C ATOM 1088 NH1 ARG A 117 3.933 14.434 -0.411 1.00 2.33 N ATOM 1089 NH2 ARG A 117 3.291 16.103 1.035 1.00 2.99 N ATOM 0 H ARG A 117 5.160 9.878 4.754 1.00 0.23 H new ATOM 0 HA ARG A 117 7.072 11.421 3.377 1.00 0.28 H new ATOM 0 HB2 ARG A 117 4.654 12.198 5.051 1.00 0.38 H new ATOM 0 HB3 ARG A 117 5.555 13.324 4.055 1.00 0.38 H new ATOM 0 HG2 ARG A 117 4.576 10.861 2.692 1.00 1.06 H new ATOM 0 HG3 ARG A 117 3.349 11.997 3.214 1.00 1.06 H new ATOM 0 HD2 ARG A 117 5.778 12.868 1.619 1.00 1.15 H new ATOM 0 HD3 ARG A 117 4.312 12.301 0.845 1.00 1.15 H new ATOM 0 HE ARG A 117 3.953 14.485 2.806 1.00 1.75 H new ATOM 0 HH11 ARG A 117 4.301 13.496 -0.571 1.00 2.33 H new ATOM 0 HH12 ARG A 117 3.679 15.024 -1.203 1.00 2.33 H new ATOM 0 HH21 ARG A 117 3.165 16.449 1.986 1.00 2.99 H new ATOM 0 HH22 ARG A 117 3.038 16.691 0.241 1.00 2.99 H new ATOM 1103 N SER A 118 7.061 11.634 6.652 1.00 0.28 N ATOM 1104 CA SER A 118 7.787 12.097 7.823 1.00 0.33 C ATOM 1105 C SER A 118 9.063 11.296 8.014 1.00 0.32 C ATOM 1106 O SER A 118 10.149 11.842 8.210 1.00 0.41 O ATOM 1107 CB SER A 118 6.902 11.940 9.055 1.00 0.38 C ATOM 1108 OG SER A 118 7.417 12.658 10.161 1.00 0.62 O ATOM 0 H SER A 118 6.287 11.005 6.864 1.00 0.28 H new ATOM 0 HA SER A 118 8.052 13.145 7.682 1.00 0.33 H new ATOM 0 HB2 SER A 118 5.896 12.292 8.828 1.00 0.38 H new ATOM 0 HB3 SER A 118 6.819 10.884 9.312 1.00 0.38 H new ATOM 0 HG SER A 118 6.826 12.538 10.933 1.00 0.62 H new ATOM 1114 N ARG A 119 8.901 9.992 7.959 1.00 0.26 N ATOM 1115 CA ARG A 119 9.983 9.054 8.199 1.00 0.28 C ATOM 1116 C ARG A 119 10.231 8.159 6.985 1.00 0.26 C ATOM 1117 O ARG A 119 9.770 7.017 6.933 1.00 0.25 O ATOM 1118 CB ARG A 119 9.657 8.206 9.426 1.00 0.33 C ATOM 1119 CG ARG A 119 9.571 9.026 10.704 1.00 0.47 C ATOM 1120 CD ARG A 119 10.896 9.697 11.026 1.00 1.28 C ATOM 1121 NE ARG A 119 10.757 10.736 12.049 1.00 1.54 N ATOM 1122 CZ ARG A 119 11.776 11.459 12.516 1.00 2.39 C ATOM 1123 NH1 ARG A 119 13.015 11.208 12.107 1.00 3.26 N ATOM 1124 NH2 ARG A 119 11.555 12.421 13.402 1.00 2.60 N ATOM 0 H ARG A 119 8.009 9.546 7.745 1.00 0.26 H new ATOM 0 HA ARG A 119 10.896 9.622 8.378 1.00 0.28 H new ATOM 0 HB2 ARG A 119 8.709 7.692 9.265 1.00 0.33 H new ATOM 0 HB3 ARG A 119 10.421 7.437 9.544 1.00 0.33 H new ATOM 0 HG2 ARG A 119 8.794 9.784 10.600 1.00 0.47 H new ATOM 0 HG3 ARG A 119 9.278 8.381 11.532 1.00 0.47 H new ATOM 0 HD2 ARG A 119 11.608 8.946 11.368 1.00 1.28 H new ATOM 0 HD3 ARG A 119 11.309 10.137 10.118 1.00 1.28 H new ATOM 0 HE ARG A 119 9.827 10.917 12.426 1.00 1.54 H new ATOM 0 HH11 ARG A 119 13.189 10.461 11.434 1.00 3.26 H new ATOM 0 HH12 ARG A 119 13.793 11.762 12.466 1.00 3.26 H new ATOM 0 HH21 ARG A 119 10.606 12.608 13.726 1.00 2.60 H new ATOM 0 HH22 ARG A 119 12.334 12.974 13.759 1.00 2.60 H new ATOM 1138 N PRO A 120 10.976 8.676 5.998 1.00 0.29 N ATOM 1139 CA PRO A 120 11.386 7.919 4.806 1.00 0.30 C ATOM 1140 C PRO A 120 12.237 6.710 5.167 1.00 0.27 C ATOM 1141 O PRO A 120 12.290 5.721 4.434 1.00 0.28 O ATOM 1142 CB PRO A 120 12.231 8.928 4.024 1.00 0.37 C ATOM 1143 CG PRO A 120 12.649 9.931 5.035 1.00 0.38 C ATOM 1144 CD PRO A 120 11.481 10.051 5.953 1.00 0.35 C ATOM 0 HA PRO A 120 10.531 7.529 4.254 1.00 0.30 H new ATOM 0 HB2 PRO A 120 13.094 8.448 3.562 1.00 0.37 H new ATOM 0 HB3 PRO A 120 11.655 9.390 3.222 1.00 0.37 H new ATOM 0 HG2 PRO A 120 13.541 9.606 5.570 1.00 0.38 H new ATOM 0 HG3 PRO A 120 12.887 10.887 4.569 1.00 0.38 H new ATOM 0 HD2 PRO A 120 11.775 10.409 6.940 1.00 0.35 H new ATOM 0 HD3 PRO A 120 10.734 10.746 5.571 1.00 0.35 H new ATOM 1152 N ALA A 121 12.902 6.815 6.308 1.00 0.25 N ATOM 1153 CA ALA A 121 13.760 5.761 6.825 1.00 0.28 C ATOM 1154 C ALA A 121 13.033 4.421 6.895 1.00 0.27 C ATOM 1155 O ALA A 121 13.618 3.371 6.633 1.00 0.35 O ATOM 1156 CB ALA A 121 14.269 6.162 8.199 1.00 0.33 C ATOM 0 H ALA A 121 12.861 7.641 6.905 1.00 0.25 H new ATOM 0 HA ALA A 121 14.600 5.634 6.142 1.00 0.28 H new ATOM 0 HB1 ALA A 121 14.913 5.376 8.592 1.00 0.33 H new ATOM 0 HB2 ALA A 121 14.836 7.090 8.121 1.00 0.33 H new ATOM 0 HB3 ALA A 121 13.424 6.309 8.872 1.00 0.33 H new ATOM 1162 N LYS A 122 11.761 4.456 7.258 1.00 0.22 N ATOM 1163 CA LYS A 122 10.968 3.246 7.340 1.00 0.27 C ATOM 1164 C LYS A 122 9.811 3.280 6.351 1.00 0.19 C ATOM 1165 O LYS A 122 8.818 2.572 6.517 1.00 0.18 O ATOM 1166 CB LYS A 122 10.477 3.052 8.767 1.00 0.39 C ATOM 1167 CG LYS A 122 11.579 2.605 9.713 1.00 0.49 C ATOM 1168 CD LYS A 122 11.573 1.094 9.886 1.00 0.66 C ATOM 1169 CE LYS A 122 12.598 0.629 10.910 1.00 1.28 C ATOM 1170 NZ LYS A 122 12.302 1.142 12.273 1.00 1.79 N ATOM 0 H LYS A 122 11.258 5.310 7.500 1.00 0.22 H new ATOM 0 HA LYS A 122 11.593 2.395 7.070 1.00 0.27 H new ATOM 0 HB2 LYS A 122 10.050 3.987 9.130 1.00 0.39 H new ATOM 0 HB3 LYS A 122 9.676 2.312 8.774 1.00 0.39 H new ATOM 0 HG2 LYS A 122 12.546 2.926 9.327 1.00 0.49 H new ATOM 0 HG3 LYS A 122 11.447 3.086 10.682 1.00 0.49 H new ATOM 0 HD2 LYS A 122 10.580 0.769 10.195 1.00 0.66 H new ATOM 0 HD3 LYS A 122 11.779 0.619 8.927 1.00 0.66 H new ATOM 0 HE2 LYS A 122 12.620 -0.461 10.931 1.00 1.28 H new ATOM 0 HE3 LYS A 122 13.590 0.962 10.606 1.00 1.28 H new ATOM 0 HZ1 LYS A 122 12.883 0.633 12.969 1.00 1.79 H new ATOM 0 HZ2 LYS A 122 12.520 2.158 12.316 1.00 1.79 H new ATOM 0 HZ3 LYS A 122 11.295 0.994 12.488 1.00 1.79 H new ATOM 1184 N LEU A 123 9.969 4.098 5.311 1.00 0.17 N ATOM 1185 CA LEU A 123 9.042 4.150 4.190 1.00 0.14 C ATOM 1186 C LEU A 123 8.705 2.751 3.686 1.00 0.12 C ATOM 1187 O LEU A 123 7.561 2.462 3.357 1.00 0.12 O ATOM 1188 CB LEU A 123 9.682 4.959 3.071 1.00 0.16 C ATOM 1189 CG LEU A 123 9.122 4.717 1.680 1.00 0.14 C ATOM 1190 CD1 LEU A 123 7.916 5.595 1.421 1.00 0.15 C ATOM 1191 CD2 LEU A 123 10.203 4.958 0.657 1.00 0.21 C ATOM 0 H LEU A 123 10.751 4.747 5.226 1.00 0.17 H new ATOM 0 HA LEU A 123 8.114 4.618 4.518 1.00 0.14 H new ATOM 0 HB2 LEU A 123 9.575 6.018 3.306 1.00 0.16 H new ATOM 0 HB3 LEU A 123 10.750 4.742 3.056 1.00 0.16 H new ATOM 0 HG LEU A 123 8.789 3.682 1.604 1.00 0.14 H new ATOM 0 HD11 LEU A 123 7.534 5.402 0.418 1.00 0.15 H new ATOM 0 HD12 LEU A 123 7.140 5.373 2.154 1.00 0.15 H new ATOM 0 HD13 LEU A 123 8.204 6.643 1.504 1.00 0.15 H new ATOM 0 HD21 LEU A 123 9.803 4.785 -0.342 1.00 0.21 H new ATOM 0 HD22 LEU A 123 10.554 5.987 0.734 1.00 0.21 H new ATOM 0 HD23 LEU A 123 11.034 4.277 0.838 1.00 0.21 H new ATOM 1203 N TYR A 124 9.708 1.880 3.657 1.00 0.13 N ATOM 1204 CA TYR A 124 9.536 0.532 3.132 1.00 0.13 C ATOM 1205 C TYR A 124 8.591 -0.263 3.997 1.00 0.13 C ATOM 1206 O TYR A 124 7.779 -1.002 3.484 1.00 0.14 O ATOM 1207 CB TYR A 124 10.872 -0.187 3.010 1.00 0.14 C ATOM 1208 CG TYR A 124 11.734 0.343 1.904 1.00 0.14 C ATOM 1209 CD1 TYR A 124 12.491 1.491 2.077 1.00 0.22 C ATOM 1210 CD2 TYR A 124 11.787 -0.303 0.681 1.00 0.14 C ATOM 1211 CE1 TYR A 124 13.280 1.980 1.061 1.00 0.26 C ATOM 1212 CE2 TYR A 124 12.567 0.174 -0.336 1.00 0.19 C ATOM 1213 CZ TYR A 124 13.318 1.317 -0.145 1.00 0.24 C ATOM 1214 OH TYR A 124 14.098 1.811 -1.165 1.00 0.31 O ATOM 0 H TYR A 124 10.650 2.085 3.992 1.00 0.13 H new ATOM 0 HA TYR A 124 9.105 0.619 2.135 1.00 0.13 H new ATOM 0 HB2 TYR A 124 11.410 -0.100 3.954 1.00 0.14 H new ATOM 0 HB3 TYR A 124 10.691 -1.249 2.843 1.00 0.14 H new ATOM 0 HD1 TYR A 124 12.461 2.010 3.024 1.00 0.22 H new ATOM 0 HD2 TYR A 124 11.203 -1.198 0.527 1.00 0.14 H new ATOM 0 HE1 TYR A 124 13.864 2.876 1.208 1.00 0.26 H new ATOM 0 HE2 TYR A 124 12.596 -0.341 -1.285 1.00 0.19 H new ATOM 0 HH TYR A 124 14.704 1.109 -1.483 1.00 0.31 H new ATOM 1224 N VAL A 125 8.694 -0.110 5.305 1.00 0.13 N ATOM 1225 CA VAL A 125 7.736 -0.740 6.207 1.00 0.14 C ATOM 1226 C VAL A 125 6.315 -0.311 5.863 1.00 0.12 C ATOM 1227 O VAL A 125 5.395 -1.121 5.873 1.00 0.14 O ATOM 1228 CB VAL A 125 8.040 -0.413 7.682 1.00 0.18 C ATOM 1229 CG1 VAL A 125 6.932 -0.925 8.602 1.00 0.19 C ATOM 1230 CG2 VAL A 125 9.385 -1.003 8.062 1.00 0.23 C ATOM 0 H VAL A 125 9.421 0.437 5.766 1.00 0.13 H new ATOM 0 HA VAL A 125 7.828 -1.818 6.075 1.00 0.14 H new ATOM 0 HB VAL A 125 8.081 0.669 7.803 1.00 0.18 H new ATOM 0 HG11 VAL A 125 7.175 -0.679 9.636 1.00 0.19 H new ATOM 0 HG12 VAL A 125 5.987 -0.455 8.330 1.00 0.19 H new ATOM 0 HG13 VAL A 125 6.843 -2.006 8.497 1.00 0.19 H new ATOM 0 HG21 VAL A 125 9.602 -0.773 9.105 1.00 0.23 H new ATOM 0 HG22 VAL A 125 9.359 -2.084 7.927 1.00 0.23 H new ATOM 0 HG23 VAL A 125 10.162 -0.577 7.427 1.00 0.23 H new ATOM 1240 N TYR A 126 6.154 0.955 5.516 1.00 0.11 N ATOM 1241 CA TYR A 126 4.852 1.483 5.140 1.00 0.11 C ATOM 1242 C TYR A 126 4.464 0.978 3.750 1.00 0.10 C ATOM 1243 O TYR A 126 3.290 0.755 3.463 1.00 0.11 O ATOM 1244 CB TYR A 126 4.887 3.011 5.214 1.00 0.12 C ATOM 1245 CG TYR A 126 5.412 3.498 6.550 1.00 0.12 C ATOM 1246 CD1 TYR A 126 4.958 2.922 7.729 1.00 0.17 C ATOM 1247 CD2 TYR A 126 6.380 4.495 6.638 1.00 0.17 C ATOM 1248 CE1 TYR A 126 5.442 3.326 8.955 1.00 0.20 C ATOM 1249 CE2 TYR A 126 6.875 4.904 7.865 1.00 0.20 C ATOM 1250 CZ TYR A 126 6.403 4.315 9.019 1.00 0.20 C ATOM 1251 OH TYR A 126 6.891 4.717 10.241 1.00 0.25 O ATOM 0 H TYR A 126 6.911 1.638 5.487 1.00 0.11 H new ATOM 0 HA TYR A 126 4.088 1.132 5.833 1.00 0.11 H new ATOM 0 HB2 TYR A 126 5.516 3.399 4.413 1.00 0.12 H new ATOM 0 HB3 TYR A 126 3.884 3.406 5.052 1.00 0.12 H new ATOM 0 HD1 TYR A 126 4.212 2.143 7.685 1.00 0.17 H new ATOM 0 HD2 TYR A 126 6.751 4.957 5.735 1.00 0.17 H new ATOM 0 HE1 TYR A 126 5.071 2.871 9.861 1.00 0.20 H new ATOM 0 HE2 TYR A 126 7.625 5.679 7.918 1.00 0.20 H new ATOM 0 HH TYR A 126 7.561 5.420 10.110 1.00 0.25 H new ATOM 1261 N ILE A 127 5.474 0.789 2.905 1.00 0.11 N ATOM 1262 CA ILE A 127 5.317 0.099 1.626 1.00 0.11 C ATOM 1263 C ILE A 127 4.828 -1.331 1.870 1.00 0.11 C ATOM 1264 O ILE A 127 3.847 -1.783 1.280 1.00 0.11 O ATOM 1265 CB ILE A 127 6.668 0.069 0.862 1.00 0.11 C ATOM 1266 CG1 ILE A 127 7.028 1.481 0.396 1.00 0.12 C ATOM 1267 CG2 ILE A 127 6.619 -0.890 -0.315 1.00 0.13 C ATOM 1268 CD1 ILE A 127 8.500 1.690 0.124 1.00 0.11 C ATOM 0 H ILE A 127 6.425 1.110 3.087 1.00 0.11 H new ATOM 0 HA ILE A 127 4.584 0.635 1.022 1.00 0.11 H new ATOM 0 HB ILE A 127 7.440 -0.291 1.542 1.00 0.11 H new ATOM 0 HG12 ILE A 127 6.467 1.705 -0.511 1.00 0.12 H new ATOM 0 HG13 ILE A 127 6.706 2.194 1.154 1.00 0.12 H new ATOM 0 HG21 ILE A 127 7.581 -0.886 -0.828 1.00 0.13 H new ATOM 0 HG22 ILE A 127 6.403 -1.896 0.044 1.00 0.13 H new ATOM 0 HG23 ILE A 127 5.838 -0.577 -1.007 1.00 0.13 H new ATOM 0 HD11 ILE A 127 8.668 2.717 -0.201 1.00 0.11 H new ATOM 0 HD12 ILE A 127 9.069 1.500 1.034 1.00 0.11 H new ATOM 0 HD13 ILE A 127 8.827 1.004 -0.657 1.00 0.11 H new ATOM 1280 N ASN A 128 5.527 -2.017 2.767 1.00 0.12 N ATOM 1281 CA ASN A 128 5.202 -3.371 3.183 1.00 0.14 C ATOM 1282 C ASN A 128 3.787 -3.445 3.729 1.00 0.14 C ATOM 1283 O ASN A 128 2.995 -4.295 3.311 1.00 0.16 O ATOM 1284 CB ASN A 128 6.182 -3.821 4.273 1.00 0.20 C ATOM 1285 CG ASN A 128 7.589 -4.112 3.773 1.00 0.25 C ATOM 1286 OD1 ASN A 128 8.326 -4.867 4.393 1.00 0.50 O ATOM 1287 ND2 ASN A 128 7.977 -3.516 2.663 1.00 0.26 N ATOM 0 H ASN A 128 6.351 -1.638 3.233 1.00 0.12 H new ATOM 0 HA ASN A 128 5.279 -4.024 2.314 1.00 0.14 H new ATOM 0 HB2 ASN A 128 6.235 -3.047 5.039 1.00 0.20 H new ATOM 0 HB3 ASN A 128 5.787 -4.717 4.752 1.00 0.20 H new ATOM 0 HD21 ASN A 128 8.915 -3.679 2.298 1.00 0.26 H new ATOM 0 HD22 ASN A 128 7.339 -2.892 2.169 1.00 0.26 H new ATOM 1294 N GLU A 129 3.485 -2.558 4.676 1.00 0.13 N ATOM 1295 CA GLU A 129 2.160 -2.485 5.272 1.00 0.16 C ATOM 1296 C GLU A 129 1.109 -2.342 4.209 1.00 0.15 C ATOM 1297 O GLU A 129 0.274 -3.211 4.044 1.00 0.17 O ATOM 1298 CB GLU A 129 2.052 -1.301 6.228 1.00 0.23 C ATOM 1299 CG GLU A 129 2.767 -1.523 7.535 1.00 0.29 C ATOM 1300 CD GLU A 129 2.502 -0.417 8.534 1.00 0.60 C ATOM 1301 OE1 GLU A 129 1.339 -0.279 8.975 1.00 0.90 O ATOM 1302 OE2 GLU A 129 3.450 0.305 8.901 1.00 1.03 O ATOM 0 H GLU A 129 4.148 -1.877 5.046 1.00 0.13 H new ATOM 0 HA GLU A 129 2.002 -3.411 5.825 1.00 0.16 H new ATOM 0 HB2 GLU A 129 2.461 -0.414 5.744 1.00 0.23 H new ATOM 0 HB3 GLU A 129 1.000 -1.099 6.427 1.00 0.23 H new ATOM 0 HG2 GLU A 129 2.453 -2.476 7.961 1.00 0.29 H new ATOM 0 HG3 GLU A 129 3.839 -1.594 7.352 1.00 0.29 H new ATOM 1309 N LEU A 130 1.199 -1.257 3.468 1.00 0.14 N ATOM 1310 CA LEU A 130 0.254 -0.943 2.412 1.00 0.15 C ATOM 1311 C LEU A 130 0.054 -2.127 1.461 1.00 0.15 C ATOM 1312 O LEU A 130 -1.070 -2.438 1.076 1.00 0.18 O ATOM 1313 CB LEU A 130 0.789 0.269 1.663 1.00 0.17 C ATOM 1314 CG LEU A 130 -0.204 1.021 0.797 1.00 0.13 C ATOM 1315 CD1 LEU A 130 -1.500 1.263 1.556 1.00 0.12 C ATOM 1316 CD2 LEU A 130 0.420 2.340 0.379 1.00 0.12 C ATOM 0 H LEU A 130 1.936 -0.561 3.581 1.00 0.14 H new ATOM 0 HA LEU A 130 -0.723 -0.727 2.844 1.00 0.15 H new ATOM 0 HB2 LEU A 130 1.202 0.966 2.392 1.00 0.17 H new ATOM 0 HB3 LEU A 130 1.615 -0.058 1.031 1.00 0.17 H new ATOM 0 HG LEU A 130 -0.442 0.429 -0.087 1.00 0.13 H new ATOM 0 HD11 LEU A 130 -2.200 1.804 0.918 1.00 0.12 H new ATOM 0 HD12 LEU A 130 -1.937 0.307 1.845 1.00 0.12 H new ATOM 0 HD13 LEU A 130 -1.294 1.852 2.450 1.00 0.12 H new ATOM 0 HD21 LEU A 130 -0.282 2.893 -0.245 1.00 0.12 H new ATOM 0 HD22 LEU A 130 0.658 2.927 1.266 1.00 0.12 H new ATOM 0 HD23 LEU A 130 1.333 2.148 -0.185 1.00 0.12 H new ATOM 1328 N CYS A 131 1.145 -2.803 1.120 1.00 0.14 N ATOM 1329 CA CYS A 131 1.091 -3.958 0.227 1.00 0.17 C ATOM 1330 C CYS A 131 0.360 -5.138 0.876 1.00 0.18 C ATOM 1331 O CYS A 131 -0.446 -5.814 0.227 1.00 0.21 O ATOM 1332 CB CYS A 131 2.511 -4.373 -0.167 1.00 0.20 C ATOM 1333 SG CYS A 131 2.603 -5.869 -1.178 1.00 0.53 S ATOM 0 H CYS A 131 2.082 -2.571 1.449 1.00 0.14 H new ATOM 0 HA CYS A 131 0.532 -3.671 -0.664 1.00 0.17 H new ATOM 0 HB2 CYS A 131 2.977 -3.552 -0.712 1.00 0.20 H new ATOM 0 HB3 CYS A 131 3.096 -4.526 0.740 1.00 0.20 H new ATOM 0 HG CYS A 131 3.470 -5.696 -2.131 1.00 0.53 H new ATOM 1339 N THR A 132 0.637 -5.387 2.151 1.00 0.19 N ATOM 1340 CA THR A 132 0.006 -6.489 2.868 1.00 0.23 C ATOM 1341 C THR A 132 -1.435 -6.126 3.216 1.00 0.21 C ATOM 1342 O THR A 132 -2.336 -6.962 3.174 1.00 0.22 O ATOM 1343 CB THR A 132 0.772 -6.823 4.163 1.00 0.28 C ATOM 1344 OG1 THR A 132 2.179 -6.910 3.892 1.00 0.32 O ATOM 1345 CG2 THR A 132 0.291 -8.142 4.747 1.00 0.36 C ATOM 0 H THR A 132 1.294 -4.841 2.709 1.00 0.19 H new ATOM 0 HA THR A 132 0.022 -7.364 2.218 1.00 0.23 H new ATOM 0 HB THR A 132 0.585 -6.027 4.884 1.00 0.28 H new ATOM 0 HG1 THR A 132 2.533 -6.015 3.709 1.00 0.32 H new ATOM 0 HG21 THR A 132 0.845 -8.359 5.661 1.00 0.36 H new ATOM 0 HG22 THR A 132 -0.773 -8.073 4.975 1.00 0.36 H new ATOM 0 HG23 THR A 132 0.456 -8.941 4.025 1.00 0.36 H new ATOM 1353 N VAL A 133 -1.620 -4.853 3.532 1.00 0.18 N ATOM 1354 CA VAL A 133 -2.916 -4.273 3.839 1.00 0.17 C ATOM 1355 C VAL A 133 -3.912 -4.581 2.735 1.00 0.18 C ATOM 1356 O VAL A 133 -5.073 -4.914 2.997 1.00 0.19 O ATOM 1357 CB VAL A 133 -2.767 -2.740 4.008 1.00 0.15 C ATOM 1358 CG1 VAL A 133 -4.069 -2.013 3.730 1.00 0.15 C ATOM 1359 CG2 VAL A 133 -2.253 -2.393 5.401 1.00 0.18 C ATOM 0 H VAL A 133 -0.855 -4.180 3.583 1.00 0.18 H new ATOM 0 HA VAL A 133 -3.288 -4.706 4.767 1.00 0.17 H new ATOM 0 HB VAL A 133 -2.036 -2.405 3.272 1.00 0.15 H new ATOM 0 HG11 VAL A 133 -3.922 -0.941 3.859 1.00 0.15 H new ATOM 0 HG12 VAL A 133 -4.387 -2.215 2.707 1.00 0.15 H new ATOM 0 HG13 VAL A 133 -4.835 -2.360 4.423 1.00 0.15 H new ATOM 0 HG21 VAL A 133 -2.157 -1.311 5.494 1.00 0.18 H new ATOM 0 HG22 VAL A 133 -2.954 -2.761 6.150 1.00 0.18 H new ATOM 0 HG23 VAL A 133 -1.280 -2.858 5.556 1.00 0.18 H new ATOM 1369 N LEU A 134 -3.437 -4.490 1.505 1.00 0.18 N ATOM 1370 CA LEU A 134 -4.260 -4.751 0.346 1.00 0.20 C ATOM 1371 C LEU A 134 -4.838 -6.158 0.393 1.00 0.23 C ATOM 1372 O LEU A 134 -6.048 -6.333 0.352 1.00 0.28 O ATOM 1373 CB LEU A 134 -3.433 -4.543 -0.923 1.00 0.19 C ATOM 1374 CG LEU A 134 -2.928 -3.111 -1.103 1.00 0.19 C ATOM 1375 CD1 LEU A 134 -2.004 -2.989 -2.293 1.00 0.21 C ATOM 1376 CD2 LEU A 134 -4.089 -2.159 -1.260 1.00 0.20 C ATOM 0 H LEU A 134 -2.474 -4.234 1.286 1.00 0.18 H new ATOM 0 HA LEU A 134 -5.098 -4.054 0.343 1.00 0.20 H new ATOM 0 HB2 LEU A 134 -2.579 -5.220 -0.904 1.00 0.19 H new ATOM 0 HB3 LEU A 134 -4.037 -4.817 -1.788 1.00 0.19 H new ATOM 0 HG LEU A 134 -2.363 -2.850 -0.208 1.00 0.19 H new ATOM 0 HD11 LEU A 134 -1.667 -1.957 -2.387 1.00 0.21 H new ATOM 0 HD12 LEU A 134 -1.142 -3.641 -2.153 1.00 0.21 H new ATOM 0 HD13 LEU A 134 -2.536 -3.281 -3.198 1.00 0.21 H new ATOM 0 HD21 LEU A 134 -3.713 -1.144 -1.387 1.00 0.20 H new ATOM 0 HD22 LEU A 134 -4.675 -2.441 -2.135 1.00 0.20 H new ATOM 0 HD23 LEU A 134 -4.719 -2.204 -0.372 1.00 0.20 H new ATOM 1388 N LYS A 135 -3.991 -7.156 0.565 1.00 0.25 N ATOM 1389 CA LYS A 135 -4.450 -8.533 0.500 1.00 0.29 C ATOM 1390 C LYS A 135 -5.136 -8.965 1.785 1.00 0.30 C ATOM 1391 O LYS A 135 -6.018 -9.820 1.765 1.00 0.35 O ATOM 1392 CB LYS A 135 -3.305 -9.472 0.165 1.00 0.33 C ATOM 1393 CG LYS A 135 -3.047 -9.563 -1.325 1.00 0.38 C ATOM 1394 CD LYS A 135 -4.308 -9.970 -2.079 1.00 0.45 C ATOM 1395 CE LYS A 135 -3.995 -10.332 -3.523 1.00 0.91 C ATOM 1396 NZ LYS A 135 -5.215 -10.722 -4.278 1.00 1.59 N ATOM 0 H LYS A 135 -2.994 -7.043 0.749 1.00 0.25 H new ATOM 0 HA LYS A 135 -5.189 -8.587 -0.300 1.00 0.29 H new ATOM 0 HB2 LYS A 135 -2.400 -9.130 0.667 1.00 0.33 H new ATOM 0 HB3 LYS A 135 -3.529 -10.466 0.553 1.00 0.33 H new ATOM 0 HG2 LYS A 135 -2.694 -8.601 -1.695 1.00 0.38 H new ATOM 0 HG3 LYS A 135 -2.256 -10.288 -1.516 1.00 0.38 H new ATOM 0 HD2 LYS A 135 -4.774 -10.821 -1.581 1.00 0.45 H new ATOM 0 HD3 LYS A 135 -5.029 -9.153 -2.055 1.00 0.45 H new ATOM 0 HE2 LYS A 135 -3.521 -9.483 -4.015 1.00 0.91 H new ATOM 0 HE3 LYS A 135 -3.278 -11.153 -3.543 1.00 0.91 H new ATOM 0 HZ1 LYS A 135 -5.030 -11.597 -4.809 1.00 1.59 H new ATOM 0 HZ2 LYS A 135 -5.999 -10.879 -3.613 1.00 1.59 H new ATOM 0 HZ3 LYS A 135 -5.470 -9.963 -4.941 1.00 1.59 H new ATOM 1410 N ALA A 136 -4.735 -8.369 2.893 1.00 0.27 N ATOM 1411 CA ALA A 136 -5.316 -8.697 4.189 1.00 0.30 C ATOM 1412 C ALA A 136 -6.814 -8.414 4.221 1.00 0.31 C ATOM 1413 O ALA A 136 -7.564 -9.087 4.929 1.00 0.37 O ATOM 1414 CB ALA A 136 -4.626 -7.918 5.297 1.00 0.33 C ATOM 0 H ALA A 136 -4.008 -7.654 2.925 1.00 0.27 H new ATOM 0 HA ALA A 136 -5.166 -9.765 4.350 1.00 0.30 H new ATOM 0 HB1 ALA A 136 -5.074 -8.176 6.257 1.00 0.33 H new ATOM 0 HB2 ALA A 136 -3.565 -8.169 5.312 1.00 0.33 H new ATOM 0 HB3 ALA A 136 -4.743 -6.849 5.118 1.00 0.33 H new ATOM 1420 N HIS A 137 -7.254 -7.416 3.465 1.00 0.30 N ATOM 1421 CA HIS A 137 -8.634 -6.995 3.538 1.00 0.35 C ATOM 1422 C HIS A 137 -9.346 -7.070 2.191 1.00 0.35 C ATOM 1423 O HIS A 137 -10.576 -7.012 2.136 1.00 0.54 O ATOM 1424 CB HIS A 137 -8.715 -5.590 4.113 1.00 0.39 C ATOM 1425 CG HIS A 137 -7.936 -5.420 5.382 1.00 0.42 C ATOM 1426 ND1 HIS A 137 -6.707 -4.899 5.598 1.00 0.48 N flip ATOM 1427 CD2 HIS A 137 -8.379 -5.866 6.605 1.00 0.43 C flip ATOM 1428 CE1 HIS A 137 -6.425 -5.050 6.931 1.00 0.51 C flip ATOM 1429 NE2 HIS A 137 -7.451 -5.639 7.514 1.00 0.49 N flip ATOM 0 H HIS A 137 -6.679 -6.893 2.805 1.00 0.30 H new ATOM 0 HA HIS A 137 -9.152 -7.690 4.199 1.00 0.35 H new ATOM 0 HB2 HIS A 137 -8.347 -4.880 3.372 1.00 0.39 H new ATOM 0 HB3 HIS A 137 -9.760 -5.342 4.301 1.00 0.39 H new ATOM 0 HD1 HIS A 137 -6.101 -4.472 4.898 1.00 0.48 H new ATOM 0 HD2 HIS A 137 -9.336 -6.329 6.792 1.00 0.43 H new ATOM 0 HE1 HIS A 137 -5.515 -4.739 7.422 1.00 0.51 H new ATOM 1438 N SER A 138 -8.593 -7.196 1.111 1.00 0.31 N ATOM 1439 CA SER A 138 -9.192 -7.341 -0.205 1.00 0.33 C ATOM 1440 C SER A 138 -8.543 -8.473 -0.988 1.00 0.55 C ATOM 1441 O SER A 138 -7.357 -8.766 -0.831 1.00 1.05 O ATOM 1442 CB SER A 138 -9.108 -6.036 -1.002 1.00 0.38 C ATOM 1443 OG SER A 138 -7.784 -5.719 -1.362 1.00 1.00 O ATOM 0 H SER A 138 -7.573 -7.201 1.119 1.00 0.31 H new ATOM 0 HA SER A 138 -10.243 -7.586 -0.053 1.00 0.33 H new ATOM 0 HB2 SER A 138 -9.717 -6.122 -1.902 1.00 0.38 H new ATOM 0 HB3 SER A 138 -9.527 -5.222 -0.410 1.00 0.38 H new ATOM 0 HG SER A 138 -7.163 -6.287 -0.859 1.00 1.00 H new ATOM 1624 N SER B 27 4.773 -11.253 2.743 1.00 0.55 N ATOM 1625 CA SER B 27 3.963 -10.057 2.691 1.00 0.54 C ATOM 1626 C SER B 27 4.836 -8.811 2.719 1.00 0.44 C ATOM 1627 O SER B 27 4.915 -8.063 1.745 1.00 0.53 O ATOM 1628 CB SER B 27 2.979 -10.074 3.859 1.00 0.75 C ATOM 1629 OG SER B 27 3.610 -10.514 5.053 1.00 1.37 O ATOM 0 HA SER B 27 3.404 -10.034 1.756 1.00 0.54 H new ATOM 0 HB2 SER B 27 2.569 -9.075 4.008 1.00 0.75 H new ATOM 0 HB3 SER B 27 2.141 -10.731 3.623 1.00 0.75 H new ATOM 0 HG SER B 27 4.305 -11.169 4.833 1.00 1.37 H new ATOM 1635 N ASP B 28 5.498 -8.610 3.836 1.00 0.43 N ATOM 1636 CA ASP B 28 6.415 -7.491 4.004 1.00 0.37 C ATOM 1637 C ASP B 28 7.803 -7.860 3.495 1.00 0.33 C ATOM 1638 O ASP B 28 8.455 -7.073 2.808 1.00 0.31 O ATOM 1639 CB ASP B 28 6.466 -7.027 5.475 1.00 0.44 C ATOM 1640 CG ASP B 28 6.772 -8.142 6.457 1.00 0.95 C ATOM 1641 OD1 ASP B 28 5.986 -9.107 6.541 1.00 1.07 O ATOM 1642 OD2 ASP B 28 7.821 -8.074 7.133 1.00 1.83 O ATOM 0 H ASP B 28 5.421 -9.213 4.655 1.00 0.43 H new ATOM 0 HA ASP B 28 6.045 -6.655 3.411 1.00 0.37 H new ATOM 0 HB2 ASP B 28 7.223 -6.249 5.575 1.00 0.44 H new ATOM 0 HB3 ASP B 28 5.509 -6.576 5.738 1.00 0.44 H new ATOM 1647 N SER B 29 8.229 -9.079 3.773 1.00 0.36 N ATOM 1648 CA SER B 29 9.547 -9.538 3.354 1.00 0.34 C ATOM 1649 C SER B 29 9.654 -9.633 1.840 1.00 0.33 C ATOM 1650 O SER B 29 10.752 -9.675 1.291 1.00 0.34 O ATOM 1651 CB SER B 29 9.849 -10.886 3.955 1.00 0.39 C ATOM 1652 OG SER B 29 9.775 -10.839 5.371 1.00 1.07 O ATOM 0 H SER B 29 7.684 -9.771 4.287 1.00 0.36 H new ATOM 0 HA SER B 29 10.271 -8.804 3.707 1.00 0.34 H new ATOM 0 HB2 SER B 29 9.143 -11.624 3.575 1.00 0.39 H new ATOM 0 HB3 SER B 29 10.844 -11.210 3.650 1.00 0.39 H new ATOM 0 HG SER B 29 10.263 -10.055 5.698 1.00 1.07 H new ATOM 1658 N GLU B 30 8.507 -9.673 1.179 1.00 0.35 N ATOM 1659 CA GLU B 30 8.449 -9.753 -0.273 1.00 0.37 C ATOM 1660 C GLU B 30 9.170 -8.570 -0.902 1.00 0.34 C ATOM 1661 O GLU B 30 9.804 -8.689 -1.949 1.00 0.39 O ATOM 1662 CB GLU B 30 7.006 -9.799 -0.731 1.00 0.45 C ATOM 1663 CG GLU B 30 6.869 -9.964 -2.224 1.00 0.68 C ATOM 1664 CD GLU B 30 5.565 -10.611 -2.639 1.00 1.37 C ATOM 1665 OE1 GLU B 30 4.503 -9.982 -2.443 1.00 2.33 O ATOM 1666 OE2 GLU B 30 5.581 -11.746 -3.146 1.00 1.57 O ATOM 0 H GLU B 30 7.593 -9.651 1.632 1.00 0.35 H new ATOM 0 HA GLU B 30 8.949 -10.667 -0.594 1.00 0.37 H new ATOM 0 HB2 GLU B 30 6.498 -10.624 -0.231 1.00 0.45 H new ATOM 0 HB3 GLU B 30 6.503 -8.882 -0.424 1.00 0.45 H new ATOM 0 HG2 GLU B 30 6.949 -8.986 -2.699 1.00 0.68 H new ATOM 0 HG3 GLU B 30 7.699 -10.566 -2.593 1.00 0.68 H new ATOM 1673 N LEU B 31 9.073 -7.436 -0.239 1.00 0.28 N ATOM 1674 CA LEU B 31 9.812 -6.250 -0.613 1.00 0.24 C ATOM 1675 C LEU B 31 11.284 -6.485 -0.347 1.00 0.25 C ATOM 1676 O LEU B 31 12.145 -6.314 -1.208 1.00 0.26 O ATOM 1677 CB LEU B 31 9.380 -5.069 0.229 1.00 0.20 C ATOM 1678 CG LEU B 31 7.965 -4.516 0.023 1.00 0.20 C ATOM 1679 CD1 LEU B 31 7.821 -3.836 -1.319 1.00 0.19 C ATOM 1680 CD2 LEU B 31 6.914 -5.587 0.202 1.00 0.24 C ATOM 0 H LEU B 31 8.476 -7.312 0.579 1.00 0.28 H new ATOM 0 HA LEU B 31 9.625 -6.043 -1.667 1.00 0.24 H new ATOM 0 HB2 LEU B 31 9.478 -5.353 1.277 1.00 0.20 H new ATOM 0 HB3 LEU B 31 10.085 -4.257 0.051 1.00 0.20 H new ATOM 0 HG LEU B 31 7.804 -3.763 0.795 1.00 0.20 H new ATOM 0 HD11 LEU B 31 6.805 -3.457 -1.428 1.00 0.19 H new ATOM 0 HD12 LEU B 31 8.526 -3.007 -1.384 1.00 0.19 H new ATOM 0 HD13 LEU B 31 8.028 -4.552 -2.114 1.00 0.19 H new ATOM 0 HD21 LEU B 31 5.925 -5.156 0.048 1.00 0.24 H new ATOM 0 HD22 LEU B 31 7.079 -6.384 -0.523 1.00 0.24 H new ATOM 0 HD23 LEU B 31 6.979 -5.995 1.211 1.00 0.24 H new ATOM 1692 N GLU B 32 11.530 -6.904 0.882 1.00 0.26 N ATOM 1693 CA GLU B 32 12.873 -7.118 1.416 1.00 0.29 C ATOM 1694 C GLU B 32 13.690 -8.083 0.568 1.00 0.33 C ATOM 1695 O GLU B 32 14.917 -8.111 0.658 1.00 0.38 O ATOM 1696 CB GLU B 32 12.798 -7.669 2.835 1.00 0.29 C ATOM 1697 CG GLU B 32 11.734 -7.029 3.708 1.00 0.26 C ATOM 1698 CD GLU B 32 11.885 -7.443 5.157 1.00 0.34 C ATOM 1699 OE1 GLU B 32 11.343 -8.502 5.541 1.00 0.59 O ATOM 1700 OE2 GLU B 32 12.576 -6.729 5.911 1.00 0.47 O ATOM 0 H GLU B 32 10.791 -7.110 1.554 1.00 0.26 H new ATOM 0 HA GLU B 32 13.367 -6.146 1.406 1.00 0.29 H new ATOM 0 HB2 GLU B 32 12.610 -8.742 2.784 1.00 0.29 H new ATOM 0 HB3 GLU B 32 13.769 -7.537 3.313 1.00 0.29 H new ATOM 0 HG2 GLU B 32 11.801 -5.944 3.629 1.00 0.26 H new ATOM 0 HG3 GLU B 32 10.746 -7.314 3.348 1.00 0.26 H new ATOM 1707 N GLN B 33 12.999 -8.880 -0.226 1.00 0.35 N ATOM 1708 CA GLN B 33 13.639 -9.853 -1.106 1.00 0.40 C ATOM 1709 C GLN B 33 14.690 -9.186 -1.972 1.00 0.39 C ATOM 1710 O GLN B 33 15.779 -9.722 -2.173 1.00 0.48 O ATOM 1711 CB GLN B 33 12.608 -10.519 -2.008 1.00 0.43 C ATOM 1712 CG GLN B 33 11.468 -11.153 -1.259 1.00 0.47 C ATOM 1713 CD GLN B 33 11.895 -12.314 -0.385 1.00 0.57 C ATOM 1714 OE1 GLN B 33 11.941 -13.460 -0.832 1.00 0.66 O ATOM 1715 NE2 GLN B 33 12.193 -12.029 0.869 1.00 0.57 N ATOM 0 H GLN B 33 11.981 -8.875 -0.283 1.00 0.35 H new ATOM 0 HA GLN B 33 14.114 -10.605 -0.476 1.00 0.40 H new ATOM 0 HB2 GLN B 33 12.209 -9.776 -2.699 1.00 0.43 H new ATOM 0 HB3 GLN B 33 13.103 -11.280 -2.610 1.00 0.43 H new ATOM 0 HG2 GLN B 33 10.986 -10.398 -0.638 1.00 0.47 H new ATOM 0 HG3 GLN B 33 10.722 -11.501 -1.974 1.00 0.47 H new ATOM 0 HE21 GLN B 33 12.142 -11.065 1.199 1.00 0.57 H new ATOM 0 HE22 GLN B 33 12.474 -12.773 1.508 1.00 0.57 H new ATOM 1724 N TYR B 34 14.353 -8.011 -2.477 1.00 0.32 N ATOM 1725 CA TYR B 34 15.231 -7.300 -3.385 1.00 0.32 C ATOM 1726 C TYR B 34 15.580 -5.897 -2.897 1.00 0.30 C ATOM 1727 O TYR B 34 16.621 -5.356 -3.273 1.00 0.37 O ATOM 1728 CB TYR B 34 14.602 -7.230 -4.774 1.00 0.32 C ATOM 1729 CG TYR B 34 13.093 -7.283 -4.774 1.00 0.30 C ATOM 1730 CD1 TYR B 34 12.339 -6.342 -4.090 1.00 0.26 C ATOM 1731 CD2 TYR B 34 12.419 -8.277 -5.471 1.00 0.38 C ATOM 1732 CE1 TYR B 34 10.972 -6.383 -4.098 1.00 0.26 C ATOM 1733 CE2 TYR B 34 11.041 -8.327 -5.483 1.00 0.42 C ATOM 1734 CZ TYR B 34 10.321 -7.377 -4.793 1.00 0.34 C ATOM 1735 OH TYR B 34 8.950 -7.422 -4.805 1.00 0.40 O ATOM 0 H TYR B 34 13.477 -7.531 -2.272 1.00 0.32 H new ATOM 0 HA TYR B 34 16.164 -7.862 -3.428 1.00 0.32 H new ATOM 0 HB2 TYR B 34 14.922 -6.308 -5.259 1.00 0.32 H new ATOM 0 HB3 TYR B 34 14.983 -8.055 -5.375 1.00 0.32 H new ATOM 0 HD1 TYR B 34 12.841 -5.560 -3.539 1.00 0.26 H new ATOM 0 HD2 TYR B 34 12.983 -9.023 -6.012 1.00 0.38 H new ATOM 0 HE1 TYR B 34 10.405 -5.638 -3.560 1.00 0.26 H new ATOM 0 HE2 TYR B 34 10.530 -9.106 -6.030 1.00 0.42 H new ATOM 0 HH TYR B 34 8.593 -6.620 -4.369 1.00 0.40 H new ATOM 1745 N PHE B 35 14.739 -5.295 -2.067 1.00 0.27 N ATOM 1746 CA PHE B 35 15.002 -3.936 -1.625 1.00 0.26 C ATOM 1747 C PHE B 35 14.453 -3.661 -0.238 1.00 0.25 C ATOM 1748 O PHE B 35 13.511 -4.304 0.199 1.00 0.25 O ATOM 1749 CB PHE B 35 14.445 -2.912 -2.625 1.00 0.25 C ATOM 1750 CG PHE B 35 12.969 -3.001 -2.916 1.00 0.21 C ATOM 1751 CD1 PHE B 35 12.025 -2.902 -1.908 1.00 0.18 C ATOM 1752 CD2 PHE B 35 12.530 -3.154 -4.220 1.00 0.22 C ATOM 1753 CE1 PHE B 35 10.682 -2.963 -2.191 1.00 0.16 C ATOM 1754 CE2 PHE B 35 11.183 -3.218 -4.511 1.00 0.21 C ATOM 1755 CZ PHE B 35 10.257 -3.124 -3.495 1.00 0.18 C ATOM 0 H PHE B 35 13.888 -5.716 -1.694 1.00 0.27 H new ATOM 0 HA PHE B 35 16.086 -3.832 -1.576 1.00 0.26 H new ATOM 0 HB2 PHE B 35 14.660 -1.912 -2.247 1.00 0.25 H new ATOM 0 HB3 PHE B 35 14.987 -3.021 -3.565 1.00 0.25 H new ATOM 0 HD1 PHE B 35 12.349 -2.775 -0.886 1.00 0.18 H new ATOM 0 HD2 PHE B 35 13.252 -3.224 -5.020 1.00 0.22 H new ATOM 0 HE1 PHE B 35 9.958 -2.885 -1.393 1.00 0.16 H new ATOM 0 HE2 PHE B 35 10.855 -3.341 -5.533 1.00 0.21 H new ATOM 0 HZ PHE B 35 9.202 -3.176 -3.718 1.00 0.18 H new ATOM 1765 N THR B 36 15.087 -2.714 0.440 1.00 0.27 N ATOM 1766 CA THR B 36 14.602 -2.154 1.703 1.00 0.27 C ATOM 1767 C THR B 36 15.498 -0.998 2.139 1.00 0.32 C ATOM 1768 O THR B 36 16.361 -0.558 1.377 1.00 0.45 O ATOM 1769 CB THR B 36 14.498 -3.194 2.845 1.00 0.27 C ATOM 1770 OG1 THR B 36 15.414 -4.277 2.637 1.00 0.31 O ATOM 1771 CG2 THR B 36 13.079 -3.718 2.952 1.00 0.27 C ATOM 0 H THR B 36 15.967 -2.304 0.127 1.00 0.27 H new ATOM 0 HA THR B 36 13.589 -1.801 1.512 1.00 0.27 H new ATOM 0 HB THR B 36 14.762 -2.700 3.780 1.00 0.27 H new ATOM 0 HG1 THR B 36 15.332 -4.921 3.371 1.00 0.31 H new ATOM 0 HG21 THR B 36 13.021 -4.448 3.759 1.00 0.27 H new ATOM 0 HG22 THR B 36 12.401 -2.891 3.161 1.00 0.27 H new ATOM 0 HG23 THR B 36 12.794 -4.192 2.013 1.00 0.27 H new ATOM 1779 N ALA B 37 15.281 -0.502 3.347 1.00 0.32 N ATOM 1780 CA ALA B 37 16.058 0.612 3.873 1.00 0.35 C ATOM 1781 C ALA B 37 16.959 0.140 5.000 1.00 0.43 C ATOM 1782 O ALA B 37 17.216 -1.058 5.140 1.00 0.53 O ATOM 1783 CB ALA B 37 15.133 1.714 4.376 1.00 0.29 C ATOM 0 H ALA B 37 14.569 -0.855 3.986 1.00 0.32 H new ATOM 0 HA ALA B 37 16.676 1.011 3.069 1.00 0.35 H new ATOM 0 HB1 ALA B 37 15.729 2.539 4.766 1.00 0.29 H new ATOM 0 HB2 ALA B 37 14.512 2.071 3.554 1.00 0.29 H new ATOM 0 HB3 ALA B 37 14.496 1.321 5.168 1.00 0.29 H new ATOM 1789 N ARG B 38 17.429 1.091 5.793 1.00 0.44 N ATOM 1790 CA ARG B 38 18.257 0.795 6.949 1.00 0.52 C ATOM 1791 C ARG B 38 17.549 -0.162 7.910 1.00 0.56 C ATOM 1792 O ARG B 38 18.129 -1.163 8.332 1.00 0.67 O ATOM 1793 CB ARG B 38 18.652 2.092 7.676 1.00 0.57 C ATOM 1794 CG ARG B 38 17.530 2.758 8.457 1.00 0.67 C ATOM 1795 CD ARG B 38 16.684 3.668 7.598 1.00 0.93 C ATOM 1796 NE ARG B 38 17.442 4.789 7.039 1.00 1.60 N ATOM 1797 CZ ARG B 38 17.931 5.814 7.750 1.00 2.28 C ATOM 1798 NH1 ARG B 38 17.800 5.848 9.076 1.00 2.75 N ATOM 1799 NH2 ARG B 38 18.564 6.800 7.128 1.00 2.94 N ATOM 0 H ARG B 38 17.247 2.085 5.653 1.00 0.44 H new ATOM 0 HA ARG B 38 19.163 0.303 6.593 1.00 0.52 H new ATOM 0 HB2 ARG B 38 19.470 1.872 8.361 1.00 0.57 H new ATOM 0 HB3 ARG B 38 19.034 2.801 6.941 1.00 0.57 H new ATOM 0 HG2 ARG B 38 16.896 1.990 8.901 1.00 0.67 H new ATOM 0 HG3 ARG B 38 17.956 3.333 9.279 1.00 0.67 H new ATOM 0 HD2 ARG B 38 16.248 3.089 6.784 1.00 0.93 H new ATOM 0 HD3 ARG B 38 15.857 4.056 8.193 1.00 0.93 H new ATOM 0 HE ARG B 38 17.610 4.790 6.033 1.00 1.60 H new ATOM 0 HH11 ARG B 38 17.323 5.088 9.561 1.00 2.75 H new ATOM 0 HH12 ARG B 38 18.177 6.634 9.606 1.00 2.75 H new ATOM 0 HH21 ARG B 38 18.676 6.775 6.114 1.00 2.94 H new ATOM 0 HH22 ARG B 38 18.939 7.583 7.663 1.00 2.94 H new ATOM 1813 N TRP B 39 16.289 0.149 8.217 1.00 0.54 N ATOM 1814 CA TRP B 39 15.467 -0.644 9.124 1.00 0.64 C ATOM 1815 C TRP B 39 16.182 -0.916 10.444 1.00 0.85 C ATOM 1816 O TRP B 39 16.654 -2.050 10.654 1.00 1.41 O ATOM 1817 CB TRP B 39 15.027 -1.937 8.439 1.00 0.60 C ATOM 1818 CG TRP B 39 14.040 -1.682 7.354 1.00 0.43 C ATOM 1819 CD1 TRP B 39 14.055 -0.650 6.480 1.00 0.34 C ATOM 1820 CD2 TRP B 39 12.894 -2.462 7.040 1.00 0.35 C ATOM 1821 NE1 TRP B 39 12.970 -0.724 5.639 1.00 0.23 N ATOM 1822 CE2 TRP B 39 12.248 -1.842 5.959 1.00 0.23 C ATOM 1823 CE3 TRP B 39 12.355 -3.629 7.564 1.00 0.40 C ATOM 1824 CZ2 TRP B 39 11.080 -2.356 5.403 1.00 0.21 C ATOM 1825 CZ3 TRP B 39 11.201 -4.129 7.010 1.00 0.33 C ATOM 1826 CH2 TRP B 39 10.578 -3.499 5.939 1.00 0.25 C ATOM 1827 OXT TRP B 39 16.281 0.028 11.258 1.00 1.45 O ATOM 0 H TRP B 39 15.809 0.966 7.839 1.00 0.54 H new ATOM 0 HA TRP B 39 14.575 -0.068 9.370 1.00 0.64 H new ATOM 0 HB2 TRP B 39 15.899 -2.443 8.025 1.00 0.60 H new ATOM 0 HB3 TRP B 39 14.589 -2.608 9.178 1.00 0.60 H new ATOM 0 HD1 TRP B 39 14.810 0.121 6.447 1.00 0.34 H new ATOM 0 HE1 TRP B 39 12.742 -0.058 4.901 1.00 0.23 H new ATOM 0 HE3 TRP B 39 12.833 -4.134 8.390 1.00 0.40 H new ATOM 0 HZ2 TRP B 39 10.591 -1.864 4.575 1.00 0.21 H new ATOM 0 HZ3 TRP B 39 10.769 -5.032 7.416 1.00 0.33 H new ATOM 0 HH2 TRP B 39 9.677 -3.927 5.525 1.00 0.25 H new