USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 699 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 84 THR OG1 : rot 180:sc= 0.602 USER MOD Set 1.2: A 97 SER OG : rot -91:sc= 0.675 USER MOD Set 2.1: A 42 ASN : amide:sc= 1.1 K(o=1.2,f=-5!) USER MOD Set 2.2: A 82 ASN : amide:sc= 0.105 K(o=1.2,f=-5) USER MOD Set 2.3: A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 79 ASN : amide:sc= -0.575 K(o=-0.27,f=-5.2!) USER MOD Set 3.2: A 83 TYR OH : rot -178:sc= 0.301 USER MOD Set 4.1: A 15 HIS : no HE2:sc= 1.08 K(o=2.4,f=-3.7!) USER MOD Set 4.2: A 28 SER OG : rot 121:sc= 1.37 USER MOD Single : A 7 SER OG : rot 43:sc= 0.38 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.018 USER MOD Single : A 20 MET CE :methyl -149:sc=-0.00153 (180deg=-0.85) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 32 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.12) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.141 K(o=-0.14,f=-0.89) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.122 USER MOD Single : A 50 SER OG : rot -41:sc= 0.309 USER MOD Single : A 54 THR OG1 : rot 160:sc= 0.0832 USER MOD Single : A 62 ASN : amide:sc= -0.0517 K(o=-0.052,f=-0.75) USER MOD Single : A 64 THR OG1 : rot 58:sc= 1.19 USER MOD Single : A 67 HIS : no HD1:sc= 0.993 K(o=0.99,f=-4.3!) USER MOD Single : A 73 ASN : amide:sc= 1.07 K(o=1.1,f=-0.96) USER MOD Single : A 74 GLN : amide:sc= -0.401 K(o=-0.4,f=-1.2) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.277 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= 1.41 K(o=1.4,f=-4.9!) USER MOD Single : A 89 ASN : amide:sc= -1.13 K(o=-1.1,f=-6.5!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 79 N SER A 7 -22.169 1.871 3.102 1.00 1.06 N ATOM 80 CA SER A 7 -21.071 2.145 2.291 1.00 0.91 C ATOM 81 C SER A 7 -19.931 2.514 3.202 1.00 0.81 C ATOM 82 O SER A 7 -19.859 3.637 3.712 1.00 0.91 O ATOM 83 CB SER A 7 -21.421 3.248 1.279 1.00 1.01 C ATOM 84 OG SER A 7 -21.922 4.418 1.922 1.00 1.58 O ATOM 0 HA SER A 7 -20.779 1.281 1.694 1.00 0.91 H new ATOM 0 HB2 SER A 7 -20.534 3.504 0.699 1.00 1.01 H new ATOM 0 HB3 SER A 7 -22.165 2.873 0.576 1.00 1.01 H new ATOM 0 HG SER A 7 -21.378 4.615 2.713 1.00 1.58 H new ATOM 90 N PHE A 8 -19.081 1.549 3.454 1.00 0.75 N ATOM 91 CA PHE A 8 -17.952 1.749 4.305 1.00 0.70 C ATOM 92 C PHE A 8 -17.014 2.684 3.604 1.00 0.53 C ATOM 93 O PHE A 8 -16.744 2.530 2.408 1.00 0.54 O ATOM 94 CB PHE A 8 -17.253 0.419 4.605 1.00 0.85 C ATOM 95 CG PHE A 8 -18.137 -0.618 5.246 1.00 0.77 C ATOM 96 CD1 PHE A 8 -18.487 -1.777 4.568 1.00 0.88 C ATOM 97 CD2 PHE A 8 -18.633 -0.421 6.522 1.00 1.01 C ATOM 98 CE1 PHE A 8 -19.313 -2.714 5.157 1.00 0.85 C ATOM 99 CE2 PHE A 8 -19.455 -1.355 7.115 1.00 1.19 C ATOM 100 CZ PHE A 8 -19.736 -2.558 6.428 1.00 0.96 C ATOM 0 H PHE A 8 -19.159 0.607 3.072 1.00 0.75 H new ATOM 0 HA PHE A 8 -18.272 2.171 5.258 1.00 0.70 H new ATOM 0 HB2 PHE A 8 -16.854 0.014 3.675 1.00 0.85 H new ATOM 0 HB3 PHE A 8 -16.403 0.609 5.260 1.00 0.85 H new ATOM 0 HD1 PHE A 8 -18.110 -1.948 3.570 1.00 0.88 H new ATOM 0 HD2 PHE A 8 -18.372 0.478 7.061 1.00 1.01 H new ATOM 0 HE1 PHE A 8 -19.624 -3.581 4.593 1.00 0.85 H new ATOM 0 HE2 PHE A 8 -19.879 -1.170 8.091 1.00 1.19 H new ATOM 0 HZ PHE A 8 -20.286 -3.348 6.918 1.00 0.96 H new ATOM 110 N CYS A 9 -16.534 3.635 4.332 1.00 0.49 N ATOM 111 CA CYS A 9 -15.711 4.674 3.785 1.00 0.44 C ATOM 112 C CYS A 9 -14.284 4.146 3.724 1.00 0.37 C ATOM 113 O CYS A 9 -14.053 2.995 4.068 1.00 0.40 O ATOM 114 CB CYS A 9 -15.818 5.894 4.702 1.00 0.62 C ATOM 115 SG CYS A 9 -15.321 7.460 3.929 1.00 1.32 S ATOM 0 H CYS A 9 -16.701 3.719 5.335 1.00 0.49 H new ATOM 0 HA CYS A 9 -16.023 4.966 2.782 1.00 0.44 H new ATOM 0 HB2 CYS A 9 -16.848 5.984 5.047 1.00 0.62 H new ATOM 0 HB3 CYS A 9 -15.200 5.726 5.584 1.00 0.62 H new ATOM 120 N ALA A 10 -13.329 4.961 3.351 1.00 0.35 N ATOM 121 CA ALA A 10 -11.989 4.458 3.165 1.00 0.35 C ATOM 122 C ALA A 10 -11.217 4.631 4.421 1.00 0.29 C ATOM 123 O ALA A 10 -11.119 5.733 4.952 1.00 0.34 O ATOM 124 CB ALA A 10 -11.275 5.183 2.039 1.00 0.45 C ATOM 0 H ALA A 10 -13.449 5.958 3.173 1.00 0.35 H new ATOM 0 HA ALA A 10 -12.059 3.402 2.904 1.00 0.35 H new ATOM 0 HB1 ALA A 10 -10.269 4.779 1.927 1.00 0.45 H new ATOM 0 HB2 ALA A 10 -11.827 5.045 1.110 1.00 0.45 H new ATOM 0 HB3 ALA A 10 -11.215 6.246 2.271 1.00 0.45 H new ATOM 130 N SER A 11 -10.735 3.541 4.915 1.00 0.27 N ATOM 131 CA SER A 11 -9.941 3.517 6.094 1.00 0.27 C ATOM 132 C SER A 11 -8.627 2.813 5.757 1.00 0.23 C ATOM 133 O SER A 11 -8.636 1.777 5.086 1.00 0.25 O ATOM 134 CB SER A 11 -10.700 2.775 7.177 1.00 0.37 C ATOM 135 OG SER A 11 -12.018 3.300 7.324 1.00 1.19 O ATOM 0 H SER A 11 -10.886 2.622 4.500 1.00 0.27 H new ATOM 0 HA SER A 11 -9.726 4.523 6.456 1.00 0.27 H new ATOM 0 HB2 SER A 11 -10.752 1.715 6.929 1.00 0.37 H new ATOM 0 HB3 SER A 11 -10.164 2.856 8.123 1.00 0.37 H new ATOM 0 HG SER A 11 -12.490 2.806 8.026 1.00 1.19 H new ATOM 141 N VAL A 12 -7.518 3.364 6.190 1.00 0.23 N ATOM 142 CA VAL A 12 -6.218 2.841 5.810 1.00 0.22 C ATOM 143 C VAL A 12 -5.394 2.460 7.030 1.00 0.24 C ATOM 144 O VAL A 12 -5.092 3.306 7.885 1.00 0.29 O ATOM 145 CB VAL A 12 -5.416 3.883 4.972 1.00 0.23 C ATOM 146 CG1 VAL A 12 -4.097 3.327 4.532 1.00 0.24 C ATOM 147 CG2 VAL A 12 -6.177 4.289 3.756 1.00 0.27 C ATOM 0 H VAL A 12 -7.485 4.176 6.807 1.00 0.23 H new ATOM 0 HA VAL A 12 -6.402 1.951 5.208 1.00 0.22 H new ATOM 0 HB VAL A 12 -5.254 4.747 5.616 1.00 0.23 H new ATOM 0 HG11 VAL A 12 -3.562 4.077 3.950 1.00 0.24 H new ATOM 0 HG12 VAL A 12 -3.506 3.057 5.407 1.00 0.24 H new ATOM 0 HG13 VAL A 12 -4.262 2.441 3.918 1.00 0.24 H new ATOM 0 HG21 VAL A 12 -5.596 5.016 3.189 1.00 0.27 H new ATOM 0 HG22 VAL A 12 -6.366 3.413 3.136 1.00 0.27 H new ATOM 0 HG23 VAL A 12 -7.126 4.735 4.053 1.00 0.27 H new ATOM 157 N GLN A 13 -5.044 1.204 7.121 1.00 0.24 N ATOM 158 CA GLN A 13 -4.182 0.737 8.162 1.00 0.29 C ATOM 159 C GLN A 13 -2.919 0.178 7.541 1.00 0.26 C ATOM 160 O GLN A 13 -2.964 -0.790 6.772 1.00 0.32 O ATOM 161 CB GLN A 13 -4.847 -0.348 9.009 1.00 0.40 C ATOM 162 CG GLN A 13 -6.154 0.065 9.655 1.00 0.68 C ATOM 163 CD GLN A 13 -6.690 -0.986 10.604 1.00 1.43 C ATOM 164 OE1 GLN A 13 -5.925 -1.730 11.238 1.00 2.18 O ATOM 165 NE2 GLN A 13 -7.981 -1.067 10.713 1.00 2.06 N ATOM 0 H GLN A 13 -5.351 0.479 6.472 1.00 0.24 H new ATOM 0 HA GLN A 13 -3.954 1.579 8.816 1.00 0.29 H new ATOM 0 HB2 GLN A 13 -5.028 -1.220 8.381 1.00 0.40 H new ATOM 0 HB3 GLN A 13 -4.153 -0.656 9.791 1.00 0.40 H new ATOM 0 HG2 GLN A 13 -6.008 0.999 10.198 1.00 0.68 H new ATOM 0 HG3 GLN A 13 -6.894 0.260 8.878 1.00 0.68 H new ATOM 0 HE21 GLN A 13 -8.579 -0.439 10.176 1.00 2.06 H new ATOM 0 HE22 GLN A 13 -8.398 -1.759 11.336 1.00 2.06 H new ATOM 174 N LEU A 14 -1.817 0.788 7.831 1.00 0.28 N ATOM 175 CA LEU A 14 -0.544 0.300 7.377 1.00 0.25 C ATOM 176 C LEU A 14 0.105 -0.485 8.476 1.00 0.25 C ATOM 177 O LEU A 14 -0.199 -0.274 9.656 1.00 0.33 O ATOM 178 CB LEU A 14 0.342 1.438 6.863 1.00 0.24 C ATOM 179 CG LEU A 14 0.013 1.914 5.446 1.00 0.24 C ATOM 180 CD1 LEU A 14 0.694 3.215 5.136 1.00 0.23 C ATOM 181 CD2 LEU A 14 0.472 0.882 4.451 1.00 0.25 C ATOM 0 H LEU A 14 -1.767 1.640 8.390 1.00 0.28 H new ATOM 0 HA LEU A 14 -0.694 -0.366 6.527 1.00 0.25 H new ATOM 0 HB2 LEU A 14 0.256 2.284 7.545 1.00 0.24 H new ATOM 0 HB3 LEU A 14 1.382 1.111 6.890 1.00 0.24 H new ATOM 0 HG LEU A 14 -1.066 2.058 5.382 1.00 0.24 H new ATOM 0 HD11 LEU A 14 0.440 3.526 4.123 1.00 0.23 H new ATOM 0 HD12 LEU A 14 0.363 3.976 5.843 1.00 0.23 H new ATOM 0 HD13 LEU A 14 1.774 3.089 5.217 1.00 0.23 H new ATOM 0 HD21 LEU A 14 0.238 1.220 3.442 1.00 0.25 H new ATOM 0 HD22 LEU A 14 1.548 0.739 4.545 1.00 0.25 H new ATOM 0 HD23 LEU A 14 -0.038 -0.062 4.644 1.00 0.25 H new ATOM 193 N HIS A 15 0.981 -1.369 8.122 1.00 0.21 N ATOM 194 CA HIS A 15 1.582 -2.274 9.072 1.00 0.24 C ATOM 195 C HIS A 15 3.058 -2.235 8.867 1.00 0.21 C ATOM 196 O HIS A 15 3.525 -1.903 7.776 1.00 0.22 O ATOM 197 CB HIS A 15 1.099 -3.730 8.847 1.00 0.34 C ATOM 198 CG HIS A 15 -0.385 -3.976 8.992 1.00 0.54 C ATOM 199 ND1 HIS A 15 -0.943 -4.616 10.071 1.00 0.92 N ATOM 200 CD2 HIS A 15 -1.415 -3.714 8.148 1.00 0.62 C ATOM 201 CE1 HIS A 15 -2.242 -4.743 9.888 1.00 1.03 C ATOM 202 NE2 HIS A 15 -2.555 -4.203 8.727 1.00 0.83 N ATOM 0 H HIS A 15 1.307 -1.491 7.163 1.00 0.21 H new ATOM 0 HA HIS A 15 1.301 -1.968 10.080 1.00 0.24 H new ATOM 0 HB2 HIS A 15 1.400 -4.039 7.846 1.00 0.34 H new ATOM 0 HB3 HIS A 15 1.623 -4.376 9.551 1.00 0.34 H new ATOM 0 HD1 HIS A 15 -0.430 -4.943 10.890 1.00 0.92 H new ATOM 0 HD2 HIS A 15 -1.348 -3.212 7.194 1.00 0.62 H new ATOM 0 HE1 HIS A 15 -2.933 -5.211 10.574 1.00 1.03 H new ATOM 211 N THR A 16 3.769 -2.542 9.918 1.00 0.26 N ATOM 212 CA THR A 16 5.200 -2.537 9.949 1.00 0.29 C ATOM 213 C THR A 16 5.765 -3.506 8.908 1.00 0.25 C ATOM 214 O THR A 16 5.302 -4.649 8.785 1.00 0.27 O ATOM 215 CB THR A 16 5.635 -2.963 11.350 1.00 0.38 C ATOM 216 OG1 THR A 16 4.881 -2.186 12.306 1.00 0.49 O ATOM 217 CG2 THR A 16 7.120 -2.710 11.562 1.00 0.47 C ATOM 0 H THR A 16 3.349 -2.812 10.807 1.00 0.26 H new ATOM 0 HA THR A 16 5.576 -1.541 9.715 1.00 0.29 H new ATOM 0 HB THR A 16 5.451 -4.030 11.476 1.00 0.38 H new ATOM 0 HG1 THR A 16 5.142 -2.443 13.215 1.00 0.49 H new ATOM 0 HG21 THR A 16 7.402 -3.022 12.567 1.00 0.47 H new ATOM 0 HG22 THR A 16 7.694 -3.279 10.831 1.00 0.47 H new ATOM 0 HG23 THR A 16 7.329 -1.647 11.440 1.00 0.47 H new ATOM 225 N ALA A 17 6.750 -3.031 8.167 1.00 0.28 N ATOM 226 CA ALA A 17 7.378 -3.806 7.133 1.00 0.30 C ATOM 227 C ALA A 17 8.186 -4.909 7.764 1.00 0.35 C ATOM 228 O ALA A 17 8.658 -4.774 8.902 1.00 0.40 O ATOM 229 CB ALA A 17 8.267 -2.920 6.277 1.00 0.37 C ATOM 0 H ALA A 17 7.133 -2.091 8.273 1.00 0.28 H new ATOM 0 HA ALA A 17 6.613 -4.242 6.490 1.00 0.30 H new ATOM 0 HB1 ALA A 17 8.737 -3.520 5.498 1.00 0.37 H new ATOM 0 HB2 ALA A 17 7.665 -2.136 5.818 1.00 0.37 H new ATOM 0 HB3 ALA A 17 9.038 -2.468 6.900 1.00 0.37 H new ATOM 235 N VAL A 18 8.337 -5.977 7.061 1.00 0.38 N ATOM 236 CA VAL A 18 9.051 -7.114 7.573 1.00 0.48 C ATOM 237 C VAL A 18 10.520 -7.042 7.191 1.00 0.56 C ATOM 238 O VAL A 18 10.866 -6.865 6.013 1.00 0.52 O ATOM 239 CB VAL A 18 8.412 -8.457 7.118 1.00 0.54 C ATOM 240 CG1 VAL A 18 7.058 -8.652 7.792 1.00 0.57 C ATOM 241 CG2 VAL A 18 8.235 -8.488 5.605 1.00 0.52 C ATOM 0 H VAL A 18 7.973 -6.096 6.116 1.00 0.38 H new ATOM 0 HA VAL A 18 8.980 -7.084 8.660 1.00 0.48 H new ATOM 0 HB VAL A 18 9.082 -9.265 7.410 1.00 0.54 H new ATOM 0 HG11 VAL A 18 6.621 -9.596 7.465 1.00 0.57 H new ATOM 0 HG12 VAL A 18 7.189 -8.668 8.874 1.00 0.57 H new ATOM 0 HG13 VAL A 18 6.394 -7.831 7.519 1.00 0.57 H new ATOM 0 HG21 VAL A 18 7.787 -9.437 5.311 1.00 0.52 H new ATOM 0 HG22 VAL A 18 7.585 -7.669 5.298 1.00 0.52 H new ATOM 0 HG23 VAL A 18 9.207 -8.381 5.123 1.00 0.52 H new ATOM 251 N GLU A 19 11.361 -7.152 8.195 1.00 0.72 N ATOM 252 CA GLU A 19 12.799 -7.031 8.051 1.00 0.84 C ATOM 253 C GLU A 19 13.372 -8.257 7.348 1.00 0.84 C ATOM 254 O GLU A 19 13.728 -9.245 7.994 1.00 0.96 O ATOM 255 CB GLU A 19 13.454 -6.909 9.429 1.00 1.06 C ATOM 256 CG GLU A 19 12.913 -5.794 10.317 1.00 1.72 C ATOM 257 CD GLU A 19 13.189 -4.411 9.809 1.00 2.02 C ATOM 258 OE1 GLU A 19 14.344 -3.968 9.852 1.00 2.52 O ATOM 259 OE2 GLU A 19 12.259 -3.760 9.284 1.00 2.38 O ATOM 0 H GLU A 19 11.061 -7.331 9.153 1.00 0.72 H new ATOM 0 HA GLU A 19 13.006 -6.141 7.457 1.00 0.84 H new ATOM 0 HB2 GLU A 19 13.335 -7.857 9.953 1.00 1.06 H new ATOM 0 HB3 GLU A 19 14.524 -6.753 9.291 1.00 1.06 H new ATOM 0 HG2 GLU A 19 11.836 -5.921 10.423 1.00 1.72 H new ATOM 0 HG3 GLU A 19 13.346 -5.896 11.312 1.00 1.72 H new ATOM 266 N MET A 20 13.422 -8.213 6.051 1.00 0.79 N ATOM 267 CA MET A 20 14.011 -9.269 5.261 1.00 0.84 C ATOM 268 C MET A 20 14.507 -8.680 3.957 1.00 0.81 C ATOM 269 O MET A 20 14.424 -7.468 3.787 1.00 0.84 O ATOM 270 CB MET A 20 13.034 -10.457 5.043 1.00 0.88 C ATOM 271 CG MET A 20 11.748 -10.150 4.301 1.00 0.88 C ATOM 272 SD MET A 20 10.707 -11.625 4.142 1.00 0.88 S ATOM 273 CE MET A 20 9.356 -11.006 3.147 1.00 0.58 C ATOM 0 H MET A 20 13.053 -7.438 5.499 1.00 0.79 H new ATOM 0 HA MET A 20 14.857 -9.693 5.803 1.00 0.84 H new ATOM 0 HB2 MET A 20 13.564 -11.238 4.498 1.00 0.88 H new ATOM 0 HB3 MET A 20 12.775 -10.869 6.018 1.00 0.88 H new ATOM 0 HG2 MET A 20 11.199 -9.371 4.829 1.00 0.88 H new ATOM 0 HG3 MET A 20 11.982 -9.760 3.311 1.00 0.88 H new ATOM 0 HE1 MET A 20 8.440 -11.537 3.406 1.00 0.58 H new ATOM 0 HE2 MET A 20 9.223 -9.941 3.336 1.00 0.58 H new ATOM 0 HE3 MET A 20 9.580 -11.162 2.092 1.00 0.58 H new ATOM 283 N HIS A 21 15.065 -9.487 3.070 1.00 0.92 N ATOM 284 CA HIS A 21 15.569 -8.968 1.786 1.00 1.01 C ATOM 285 C HIS A 21 14.463 -8.354 0.945 1.00 0.82 C ATOM 286 O HIS A 21 14.633 -7.292 0.355 1.00 0.95 O ATOM 287 CB HIS A 21 16.344 -10.021 0.973 1.00 1.24 C ATOM 288 CG HIS A 21 17.746 -10.278 1.451 1.00 1.65 C ATOM 289 ND1 HIS A 21 18.828 -9.544 1.024 1.00 2.31 N ATOM 290 CD2 HIS A 21 18.247 -11.198 2.307 1.00 2.19 C ATOM 291 CE1 HIS A 21 19.917 -9.998 1.596 1.00 2.75 C ATOM 292 NE2 HIS A 21 19.595 -10.995 2.374 1.00 2.66 N ATOM 0 H HIS A 21 15.185 -10.491 3.201 1.00 0.92 H new ATOM 0 HA HIS A 21 16.275 -8.180 2.048 1.00 1.01 H new ATOM 0 HB2 HIS A 21 15.789 -10.959 0.997 1.00 1.24 H new ATOM 0 HB3 HIS A 21 16.383 -9.700 -0.068 1.00 1.24 H new ATOM 0 HD2 HIS A 21 17.685 -11.952 2.838 1.00 2.19 H new ATOM 0 HE1 HIS A 21 20.914 -9.611 1.448 1.00 2.75 H new ATOM 0 HE2 HIS A 21 20.247 -11.536 2.942 1.00 2.66 H new ATOM 301 N HIS A 22 13.336 -9.013 0.908 1.00 0.67 N ATOM 302 CA HIS A 22 12.205 -8.516 0.169 1.00 0.59 C ATOM 303 C HIS A 22 11.327 -7.758 1.120 1.00 0.49 C ATOM 304 O HIS A 22 10.688 -8.345 1.980 1.00 0.57 O ATOM 305 CB HIS A 22 11.429 -9.664 -0.490 1.00 0.76 C ATOM 306 CG HIS A 22 12.253 -10.478 -1.439 1.00 1.13 C ATOM 307 ND1 HIS A 22 12.279 -11.853 -1.434 1.00 1.52 N ATOM 308 CD2 HIS A 22 13.080 -10.095 -2.439 1.00 2.11 C ATOM 309 CE1 HIS A 22 13.082 -12.274 -2.381 1.00 2.06 C ATOM 310 NE2 HIS A 22 13.581 -11.228 -3.007 1.00 2.46 N ATOM 0 H HIS A 22 13.176 -9.901 1.384 1.00 0.67 H new ATOM 0 HA HIS A 22 12.546 -7.860 -0.632 1.00 0.59 H new ATOM 0 HB2 HIS A 22 11.034 -10.318 0.288 1.00 0.76 H new ATOM 0 HB3 HIS A 22 10.573 -9.253 -1.026 1.00 0.76 H new ATOM 0 HD2 HIS A 22 13.302 -9.080 -2.733 1.00 2.11 H new ATOM 0 HE1 HIS A 22 13.298 -13.307 -2.610 1.00 2.06 H new ATOM 0 HE2 HIS A 22 14.235 -11.261 -3.789 1.00 2.46 H new ATOM 319 N TRP A 23 11.298 -6.469 0.979 1.00 0.41 N ATOM 320 CA TRP A 23 10.572 -5.643 1.909 1.00 0.36 C ATOM 321 C TRP A 23 9.126 -5.591 1.580 1.00 0.32 C ATOM 322 O TRP A 23 8.719 -4.986 0.598 1.00 0.44 O ATOM 323 CB TRP A 23 11.167 -4.255 1.983 1.00 0.43 C ATOM 324 CG TRP A 23 12.531 -4.283 2.544 1.00 0.47 C ATOM 325 CD1 TRP A 23 13.691 -4.429 1.862 1.00 0.52 C ATOM 326 CD2 TRP A 23 12.877 -4.196 3.917 1.00 0.56 C ATOM 327 NE1 TRP A 23 14.739 -4.456 2.730 1.00 0.57 N ATOM 328 CE2 TRP A 23 14.267 -4.300 4.002 1.00 0.60 C ATOM 329 CE3 TRP A 23 12.142 -4.039 5.084 1.00 0.70 C ATOM 330 CZ2 TRP A 23 14.944 -4.254 5.212 1.00 0.73 C ATOM 331 CZ3 TRP A 23 12.810 -3.993 6.277 1.00 0.85 C ATOM 332 CH2 TRP A 23 14.200 -4.100 6.336 1.00 0.86 C ATOM 0 H TRP A 23 11.767 -5.960 0.230 1.00 0.41 H new ATOM 0 HA TRP A 23 10.665 -6.100 2.894 1.00 0.36 H new ATOM 0 HB2 TRP A 23 11.191 -3.814 0.986 1.00 0.43 H new ATOM 0 HB3 TRP A 23 10.532 -3.618 2.598 1.00 0.43 H new ATOM 0 HD1 TRP A 23 13.773 -4.512 0.788 1.00 0.52 H new ATOM 0 HE1 TRP A 23 15.719 -4.574 2.472 1.00 0.57 H new ATOM 0 HE3 TRP A 23 11.066 -3.955 5.051 1.00 0.70 H new ATOM 0 HZ2 TRP A 23 16.020 -4.337 5.257 1.00 0.73 H new ATOM 0 HZ3 TRP A 23 12.250 -3.871 7.192 1.00 0.85 H new ATOM 0 HH2 TRP A 23 14.694 -4.059 7.296 1.00 0.86 H new ATOM 343 N CYS A 24 8.369 -6.260 2.382 1.00 0.27 N ATOM 344 CA CYS A 24 6.958 -6.322 2.223 1.00 0.25 C ATOM 345 C CYS A 24 6.303 -5.430 3.263 1.00 0.23 C ATOM 346 O CYS A 24 6.502 -5.622 4.478 1.00 0.25 O ATOM 347 CB CYS A 24 6.480 -7.777 2.367 1.00 0.28 C ATOM 348 SG CYS A 24 4.691 -8.028 2.127 1.00 0.30 S ATOM 0 H CYS A 24 8.721 -6.788 3.180 1.00 0.27 H new ATOM 0 HA CYS A 24 6.678 -5.971 1.230 1.00 0.25 H new ATOM 0 HB2 CYS A 24 7.018 -8.393 1.646 1.00 0.28 H new ATOM 0 HB3 CYS A 24 6.752 -8.136 3.359 1.00 0.28 H new ATOM 353 N ILE A 25 5.614 -4.417 2.787 1.00 0.20 N ATOM 354 CA ILE A 25 4.853 -3.516 3.621 1.00 0.19 C ATOM 355 C ILE A 25 3.372 -3.896 3.495 1.00 0.18 C ATOM 356 O ILE A 25 2.723 -3.556 2.494 1.00 0.18 O ATOM 357 CB ILE A 25 5.025 -2.041 3.160 1.00 0.21 C ATOM 358 CG1 ILE A 25 6.514 -1.644 3.134 1.00 0.25 C ATOM 359 CG2 ILE A 25 4.227 -1.098 4.068 1.00 0.22 C ATOM 360 CD1 ILE A 25 6.769 -0.235 2.641 1.00 0.30 C ATOM 0 H ILE A 25 5.566 -4.193 1.793 1.00 0.20 H new ATOM 0 HA ILE A 25 5.206 -3.599 4.649 1.00 0.19 H new ATOM 0 HB ILE A 25 4.635 -1.953 2.146 1.00 0.21 H new ATOM 0 HG12 ILE A 25 6.924 -1.746 4.139 1.00 0.25 H new ATOM 0 HG13 ILE A 25 7.055 -2.344 2.497 1.00 0.25 H new ATOM 0 HG21 ILE A 25 4.359 -0.070 3.731 1.00 0.22 H new ATOM 0 HG22 ILE A 25 3.170 -1.361 4.026 1.00 0.22 H new ATOM 0 HG23 ILE A 25 4.584 -1.192 5.094 1.00 0.22 H new ATOM 0 HD11 ILE A 25 7.840 -0.034 2.653 1.00 0.30 H new ATOM 0 HD12 ILE A 25 6.392 -0.132 1.624 1.00 0.30 H new ATOM 0 HD13 ILE A 25 6.259 0.476 3.291 1.00 0.30 H new ATOM 372 N PRO A 26 2.827 -4.632 4.469 1.00 0.20 N ATOM 373 CA PRO A 26 1.440 -5.068 4.429 1.00 0.21 C ATOM 374 C PRO A 26 0.477 -3.916 4.705 1.00 0.21 C ATOM 375 O PRO A 26 0.638 -3.170 5.688 1.00 0.23 O ATOM 376 CB PRO A 26 1.340 -6.123 5.549 1.00 0.25 C ATOM 377 CG PRO A 26 2.740 -6.332 6.037 1.00 0.28 C ATOM 378 CD PRO A 26 3.501 -5.089 5.687 1.00 0.24 C ATOM 0 HA PRO A 26 1.169 -5.457 3.447 1.00 0.21 H new ATOM 0 HB2 PRO A 26 0.692 -5.778 6.355 1.00 0.25 H new ATOM 0 HB3 PRO A 26 0.914 -7.053 5.173 1.00 0.25 H new ATOM 0 HG2 PRO A 26 2.754 -6.506 7.113 1.00 0.28 H new ATOM 0 HG3 PRO A 26 3.188 -7.207 5.567 1.00 0.28 H new ATOM 0 HD2 PRO A 26 3.449 -4.345 6.482 1.00 0.24 H new ATOM 0 HD3 PRO A 26 4.557 -5.296 5.512 1.00 0.24 H new ATOM 386 N PHE A 27 -0.504 -3.759 3.863 1.00 0.23 N ATOM 387 CA PHE A 27 -1.480 -2.723 4.059 1.00 0.25 C ATOM 388 C PHE A 27 -2.865 -3.311 4.143 1.00 0.25 C ATOM 389 O PHE A 27 -3.117 -4.436 3.676 1.00 0.30 O ATOM 390 CB PHE A 27 -1.407 -1.613 2.985 1.00 0.27 C ATOM 391 CG PHE A 27 -1.727 -2.031 1.579 1.00 0.28 C ATOM 392 CD1 PHE A 27 -3.033 -2.000 1.106 1.00 0.29 C ATOM 393 CD2 PHE A 27 -0.724 -2.437 0.729 1.00 0.32 C ATOM 394 CE1 PHE A 27 -3.321 -2.373 -0.182 1.00 0.34 C ATOM 395 CE2 PHE A 27 -1.009 -2.810 -0.560 1.00 0.36 C ATOM 396 CZ PHE A 27 -2.308 -2.779 -1.017 1.00 0.37 C ATOM 0 H PHE A 27 -0.650 -4.335 3.034 1.00 0.23 H new ATOM 0 HA PHE A 27 -1.244 -2.241 5.008 1.00 0.25 H new ATOM 0 HB2 PHE A 27 -2.092 -0.815 3.270 1.00 0.27 H new ATOM 0 HB3 PHE A 27 -0.402 -1.190 2.997 1.00 0.27 H new ATOM 0 HD1 PHE A 27 -3.830 -1.679 1.760 1.00 0.29 H new ATOM 0 HD2 PHE A 27 0.297 -2.462 1.080 1.00 0.32 H new ATOM 0 HE1 PHE A 27 -4.340 -2.348 -0.539 1.00 0.34 H new ATOM 0 HE2 PHE A 27 -0.214 -3.128 -1.218 1.00 0.36 H new ATOM 0 HZ PHE A 27 -2.530 -3.074 -2.032 1.00 0.37 H new ATOM 406 N SER A 28 -3.732 -2.598 4.781 1.00 0.25 N ATOM 407 CA SER A 28 -5.094 -2.986 4.922 1.00 0.28 C ATOM 408 C SER A 28 -5.970 -1.755 4.720 1.00 0.24 C ATOM 409 O SER A 28 -5.983 -0.852 5.553 1.00 0.27 O ATOM 410 CB SER A 28 -5.293 -3.565 6.319 1.00 0.41 C ATOM 411 OG SER A 28 -4.321 -4.576 6.575 1.00 0.88 O ATOM 0 H SER A 28 -3.507 -1.709 5.229 1.00 0.25 H new ATOM 0 HA SER A 28 -5.365 -3.741 4.184 1.00 0.28 H new ATOM 0 HB2 SER A 28 -5.210 -2.774 7.064 1.00 0.41 H new ATOM 0 HB3 SER A 28 -6.296 -3.983 6.408 1.00 0.41 H new ATOM 0 HG SER A 28 -3.796 -4.332 7.366 1.00 0.88 H new ATOM 417 N VAL A 29 -6.633 -1.690 3.604 1.00 0.23 N ATOM 418 CA VAL A 29 -7.525 -0.590 3.327 1.00 0.21 C ATOM 419 C VAL A 29 -8.963 -1.086 3.275 1.00 0.21 C ATOM 420 O VAL A 29 -9.310 -1.934 2.462 1.00 0.27 O ATOM 421 CB VAL A 29 -7.122 0.206 2.033 1.00 0.22 C ATOM 422 CG1 VAL A 29 -6.937 -0.718 0.857 1.00 0.25 C ATOM 423 CG2 VAL A 29 -8.172 1.254 1.694 1.00 0.26 C ATOM 0 H VAL A 29 -6.576 -2.388 2.862 1.00 0.23 H new ATOM 0 HA VAL A 29 -7.439 0.125 4.145 1.00 0.21 H new ATOM 0 HB VAL A 29 -6.174 0.702 2.240 1.00 0.22 H new ATOM 0 HG11 VAL A 29 -6.659 -0.137 -0.022 1.00 0.25 H new ATOM 0 HG12 VAL A 29 -6.150 -1.438 1.080 1.00 0.25 H new ATOM 0 HG13 VAL A 29 -7.869 -1.249 0.661 1.00 0.25 H new ATOM 0 HG21 VAL A 29 -7.872 1.792 0.795 1.00 0.26 H new ATOM 0 HG22 VAL A 29 -9.131 0.766 1.521 1.00 0.26 H new ATOM 0 HG23 VAL A 29 -8.266 1.956 2.523 1.00 0.26 H new ATOM 433 N ASP A 30 -9.763 -0.592 4.159 1.00 0.27 N ATOM 434 CA ASP A 30 -11.148 -1.008 4.267 1.00 0.35 C ATOM 435 C ASP A 30 -12.051 0.012 3.645 1.00 0.37 C ATOM 436 O ASP A 30 -11.825 1.218 3.796 1.00 0.48 O ATOM 437 CB ASP A 30 -11.528 -1.230 5.729 1.00 0.51 C ATOM 438 CG ASP A 30 -12.993 -1.584 5.923 1.00 0.80 C ATOM 439 OD1 ASP A 30 -13.741 -0.750 6.472 1.00 1.39 O ATOM 440 OD2 ASP A 30 -13.415 -2.705 5.579 1.00 1.30 O ATOM 0 H ASP A 30 -9.486 0.117 4.838 1.00 0.27 H new ATOM 0 HA ASP A 30 -11.266 -1.950 3.731 1.00 0.35 H new ATOM 0 HB2 ASP A 30 -10.911 -2.029 6.140 1.00 0.51 H new ATOM 0 HB3 ASP A 30 -11.301 -0.328 6.297 1.00 0.51 H new ATOM 445 N GLY A 31 -13.018 -0.466 2.905 1.00 0.37 N ATOM 446 CA GLY A 31 -13.995 0.374 2.288 1.00 0.42 C ATOM 447 C GLY A 31 -14.902 -0.438 1.409 1.00 0.46 C ATOM 448 O GLY A 31 -14.487 -1.465 0.887 1.00 0.60 O ATOM 0 H GLY A 31 -13.145 -1.460 2.716 1.00 0.37 H new ATOM 0 HA2 GLY A 31 -14.580 0.884 3.053 1.00 0.42 H new ATOM 0 HA3 GLY A 31 -13.500 1.145 1.698 1.00 0.42 H new ATOM 452 N GLN A 32 -16.132 -0.006 1.253 1.00 0.55 N ATOM 453 CA GLN A 32 -17.060 -0.717 0.394 1.00 0.64 C ATOM 454 C GLN A 32 -16.794 -0.251 -1.057 1.00 0.61 C ATOM 455 O GLN A 32 -16.471 -1.083 -1.906 1.00 0.68 O ATOM 456 CB GLN A 32 -18.535 -0.534 0.884 1.00 0.76 C ATOM 457 CG GLN A 32 -19.600 -1.504 0.327 1.00 0.99 C ATOM 458 CD GLN A 32 -19.892 -1.369 -1.159 1.00 1.82 C ATOM 459 OE1 GLN A 32 -20.739 -0.581 -1.564 1.00 2.42 O ATOM 460 NE2 GLN A 32 -19.239 -2.158 -1.965 1.00 2.61 N ATOM 0 H GLN A 32 -16.514 0.826 1.703 1.00 0.55 H new ATOM 0 HA GLN A 32 -16.905 -1.795 0.433 1.00 0.64 H new ATOM 0 HB2 GLN A 32 -18.541 -0.617 1.971 1.00 0.76 H new ATOM 0 HB3 GLN A 32 -18.846 0.482 0.641 1.00 0.76 H new ATOM 0 HG2 GLN A 32 -19.275 -2.526 0.525 1.00 0.99 H new ATOM 0 HG3 GLN A 32 -20.528 -1.352 0.878 1.00 0.99 H new ATOM 0 HE21 GLN A 32 -18.540 -2.802 -1.594 1.00 2.61 H new ATOM 0 HE22 GLN A 32 -19.426 -2.132 -2.967 1.00 2.61 H new ATOM 469 N PRO A 33 -16.908 1.072 -1.388 1.00 0.59 N ATOM 470 CA PRO A 33 -16.427 1.550 -2.668 1.00 0.62 C ATOM 471 C PRO A 33 -14.895 1.537 -2.638 1.00 0.53 C ATOM 472 O PRO A 33 -14.274 2.165 -1.751 1.00 0.44 O ATOM 473 CB PRO A 33 -16.962 2.984 -2.762 1.00 0.67 C ATOM 474 CG PRO A 33 -17.192 3.402 -1.355 1.00 0.78 C ATOM 475 CD PRO A 33 -17.539 2.160 -0.602 1.00 0.63 C ATOM 0 HA PRO A 33 -16.749 0.948 -3.518 1.00 0.62 H new ATOM 0 HB2 PRO A 33 -16.246 3.641 -3.257 1.00 0.67 H new ATOM 0 HB3 PRO A 33 -17.884 3.024 -3.341 1.00 0.67 H new ATOM 0 HG2 PRO A 33 -16.302 3.874 -0.939 1.00 0.78 H new ATOM 0 HG3 PRO A 33 -17.998 4.133 -1.293 1.00 0.78 H new ATOM 0 HD2 PRO A 33 -17.153 2.191 0.417 1.00 0.63 H new ATOM 0 HD3 PRO A 33 -18.618 2.026 -0.530 1.00 0.63 H new ATOM 483 N ALA A 34 -14.303 0.793 -3.555 1.00 0.62 N ATOM 484 CA ALA A 34 -12.866 0.615 -3.609 1.00 0.60 C ATOM 485 C ALA A 34 -12.159 1.942 -3.838 1.00 0.52 C ATOM 486 O ALA A 34 -12.313 2.565 -4.897 1.00 0.63 O ATOM 487 CB ALA A 34 -12.492 -0.388 -4.686 1.00 0.78 C ATOM 0 H ALA A 34 -14.809 0.294 -4.286 1.00 0.62 H new ATOM 0 HA ALA A 34 -12.538 0.223 -2.646 1.00 0.60 H new ATOM 0 HB1 ALA A 34 -11.409 -0.508 -4.711 1.00 0.78 H new ATOM 0 HB2 ALA A 34 -12.959 -1.348 -4.467 1.00 0.78 H new ATOM 0 HB3 ALA A 34 -12.840 -0.029 -5.655 1.00 0.78 H new ATOM 493 N PRO A 35 -11.395 2.403 -2.842 1.00 0.39 N ATOM 494 CA PRO A 35 -10.690 3.670 -2.923 1.00 0.35 C ATOM 495 C PRO A 35 -9.399 3.546 -3.715 1.00 0.41 C ATOM 496 O PRO A 35 -8.712 2.508 -3.659 1.00 0.56 O ATOM 497 CB PRO A 35 -10.382 3.974 -1.458 1.00 0.29 C ATOM 498 CG PRO A 35 -10.192 2.632 -0.840 1.00 0.31 C ATOM 499 CD PRO A 35 -11.159 1.722 -1.542 1.00 0.37 C ATOM 0 HA PRO A 35 -11.269 4.443 -3.428 1.00 0.35 H new ATOM 0 HB2 PRO A 35 -9.488 4.589 -1.358 1.00 0.29 H new ATOM 0 HB3 PRO A 35 -11.198 4.519 -0.984 1.00 0.29 H new ATOM 0 HG2 PRO A 35 -9.166 2.285 -0.965 1.00 0.31 H new ATOM 0 HG3 PRO A 35 -10.390 2.663 0.231 1.00 0.31 H new ATOM 0 HD2 PRO A 35 -10.743 0.724 -1.681 1.00 0.37 H new ATOM 0 HD3 PRO A 35 -12.083 1.605 -0.976 1.00 0.37 H new ATOM 507 N SER A 36 -9.102 4.567 -4.476 1.00 0.39 N ATOM 508 CA SER A 36 -7.874 4.619 -5.217 1.00 0.44 C ATOM 509 C SER A 36 -6.690 4.789 -4.259 1.00 0.37 C ATOM 510 O SER A 36 -6.701 5.685 -3.388 1.00 0.41 O ATOM 511 CB SER A 36 -7.937 5.724 -6.279 1.00 0.57 C ATOM 512 OG SER A 36 -8.347 6.984 -5.723 1.00 1.37 O ATOM 0 H SER A 36 -9.704 5.382 -4.598 1.00 0.39 H new ATOM 0 HA SER A 36 -7.727 3.679 -5.748 1.00 0.44 H new ATOM 0 HB2 SER A 36 -6.958 5.835 -6.745 1.00 0.57 H new ATOM 0 HB3 SER A 36 -8.633 5.431 -7.065 1.00 0.57 H new ATOM 0 HG SER A 36 -8.373 7.661 -6.431 1.00 1.37 H new ATOM 518 N LEU A 37 -5.710 3.921 -4.397 1.00 0.33 N ATOM 519 CA LEU A 37 -4.558 3.895 -3.519 1.00 0.30 C ATOM 520 C LEU A 37 -3.376 4.603 -4.150 1.00 0.32 C ATOM 521 O LEU A 37 -2.982 4.294 -5.280 1.00 0.50 O ATOM 522 CB LEU A 37 -4.188 2.445 -3.189 1.00 0.32 C ATOM 523 CG LEU A 37 -5.239 1.637 -2.435 1.00 0.32 C ATOM 524 CD1 LEU A 37 -4.768 0.212 -2.263 1.00 0.43 C ATOM 525 CD2 LEU A 37 -5.503 2.259 -1.080 1.00 0.27 C ATOM 0 H LEU A 37 -5.690 3.208 -5.127 1.00 0.33 H new ATOM 0 HA LEU A 37 -4.816 4.420 -2.599 1.00 0.30 H new ATOM 0 HB2 LEU A 37 -3.963 1.928 -4.122 1.00 0.32 H new ATOM 0 HB3 LEU A 37 -3.272 2.451 -2.599 1.00 0.32 H new ATOM 0 HG LEU A 37 -6.164 1.640 -3.011 1.00 0.32 H new ATOM 0 HD11 LEU A 37 -5.524 -0.359 -1.724 1.00 0.43 H new ATOM 0 HD12 LEU A 37 -4.604 -0.238 -3.242 1.00 0.43 H new ATOM 0 HD13 LEU A 37 -3.835 0.203 -1.699 1.00 0.43 H new ATOM 0 HD21 LEU A 37 -6.255 1.673 -0.551 1.00 0.27 H new ATOM 0 HD22 LEU A 37 -4.580 2.273 -0.500 1.00 0.27 H new ATOM 0 HD23 LEU A 37 -5.864 3.279 -1.212 1.00 0.27 H new ATOM 537 N ARG A 38 -2.830 5.547 -3.435 1.00 0.23 N ATOM 538 CA ARG A 38 -1.693 6.296 -3.892 1.00 0.23 C ATOM 539 C ARG A 38 -0.641 6.357 -2.811 1.00 0.22 C ATOM 540 O ARG A 38 -0.929 6.697 -1.670 1.00 0.26 O ATOM 541 CB ARG A 38 -2.131 7.702 -4.361 1.00 0.28 C ATOM 542 CG ARG A 38 -1.018 8.671 -4.836 1.00 0.33 C ATOM 543 CD ARG A 38 -0.024 8.031 -5.798 1.00 1.28 C ATOM 544 NE ARG A 38 -0.643 7.055 -6.699 1.00 1.98 N ATOM 545 CZ ARG A 38 -0.024 5.975 -7.191 1.00 3.10 C ATOM 546 NH1 ARG A 38 1.298 5.858 -7.118 1.00 3.72 N ATOM 547 NH2 ARG A 38 -0.727 5.034 -7.791 1.00 3.78 N ATOM 0 H ARG A 38 -3.165 5.820 -2.511 1.00 0.23 H new ATOM 0 HA ARG A 38 -1.249 5.792 -4.751 1.00 0.23 H new ATOM 0 HB2 ARG A 38 -2.842 7.579 -5.178 1.00 0.28 H new ATOM 0 HB3 ARG A 38 -2.667 8.180 -3.541 1.00 0.28 H new ATOM 0 HG2 ARG A 38 -1.479 9.531 -5.322 1.00 0.33 H new ATOM 0 HG3 ARG A 38 -0.479 9.047 -3.966 1.00 0.33 H new ATOM 0 HD2 ARG A 38 0.453 8.812 -6.390 1.00 1.28 H new ATOM 0 HD3 ARG A 38 0.762 7.540 -5.225 1.00 1.28 H new ATOM 0 HE ARG A 38 -1.614 7.210 -6.970 1.00 1.98 H new ATOM 0 HH11 ARG A 38 1.852 6.596 -6.683 1.00 3.72 H new ATOM 0 HH12 ARG A 38 1.758 5.030 -7.496 1.00 3.72 H new ATOM 0 HH21 ARG A 38 -1.739 5.131 -7.879 1.00 3.78 H new ATOM 0 HH22 ARG A 38 -0.259 4.209 -8.167 1.00 3.78 H new ATOM 561 N TRP A 39 0.557 5.985 -3.167 1.00 0.22 N ATOM 562 CA TRP A 39 1.665 6.010 -2.254 1.00 0.22 C ATOM 563 C TRP A 39 2.405 7.316 -2.366 1.00 0.20 C ATOM 564 O TRP A 39 2.796 7.738 -3.471 1.00 0.26 O ATOM 565 CB TRP A 39 2.631 4.865 -2.530 1.00 0.25 C ATOM 566 CG TRP A 39 2.067 3.509 -2.298 1.00 0.25 C ATOM 567 CD1 TRP A 39 1.533 2.675 -3.229 1.00 0.29 C ATOM 568 CD2 TRP A 39 1.992 2.821 -1.047 1.00 0.24 C ATOM 569 NE1 TRP A 39 1.138 1.507 -2.640 1.00 0.29 N ATOM 570 CE2 TRP A 39 1.406 1.568 -1.298 1.00 0.26 C ATOM 571 CE3 TRP A 39 2.371 3.141 0.263 1.00 0.25 C ATOM 572 CZ2 TRP A 39 1.187 0.633 -0.287 1.00 0.26 C ATOM 573 CZ3 TRP A 39 2.154 2.215 1.263 1.00 0.26 C ATOM 574 CH2 TRP A 39 1.568 0.975 0.984 1.00 0.26 C ATOM 0 H TRP A 39 0.793 5.655 -4.103 1.00 0.22 H new ATOM 0 HA TRP A 39 1.265 5.899 -1.246 1.00 0.22 H new ATOM 0 HB2 TRP A 39 2.967 4.932 -3.565 1.00 0.25 H new ATOM 0 HB3 TRP A 39 3.512 4.990 -1.900 1.00 0.25 H new ATOM 0 HD1 TRP A 39 1.435 2.902 -4.280 1.00 0.29 H new ATOM 0 HE1 TRP A 39 0.712 0.716 -3.123 1.00 0.29 H new ATOM 0 HE3 TRP A 39 2.825 4.095 0.486 1.00 0.25 H new ATOM 0 HZ2 TRP A 39 0.734 -0.325 -0.498 1.00 0.26 H new ATOM 0 HZ3 TRP A 39 2.441 2.451 2.277 1.00 0.26 H new ATOM 0 HH2 TRP A 39 1.413 0.272 1.789 1.00 0.26 H new ATOM 585 N LEU A 40 2.580 7.956 -1.261 1.00 0.25 N ATOM 586 CA LEU A 40 3.330 9.163 -1.204 1.00 0.24 C ATOM 587 C LEU A 40 4.542 8.882 -0.335 1.00 0.27 C ATOM 588 O LEU A 40 4.406 8.404 0.791 1.00 0.34 O ATOM 589 CB LEU A 40 2.476 10.272 -0.588 1.00 0.31 C ATOM 590 CG LEU A 40 2.999 11.697 -0.719 1.00 0.49 C ATOM 591 CD1 LEU A 40 2.930 12.139 -2.165 1.00 0.66 C ATOM 592 CD2 LEU A 40 2.208 12.637 0.171 1.00 0.95 C ATOM 0 H LEU A 40 2.203 7.653 -0.363 1.00 0.25 H new ATOM 0 HA LEU A 40 3.635 9.491 -2.198 1.00 0.24 H new ATOM 0 HB2 LEU A 40 1.486 10.231 -1.043 1.00 0.31 H new ATOM 0 HB3 LEU A 40 2.349 10.053 0.472 1.00 0.31 H new ATOM 0 HG LEU A 40 4.040 11.724 -0.396 1.00 0.49 H new ATOM 0 HD11 LEU A 40 3.305 13.159 -2.252 1.00 0.66 H new ATOM 0 HD12 LEU A 40 3.539 11.475 -2.778 1.00 0.66 H new ATOM 0 HD13 LEU A 40 1.896 12.103 -2.508 1.00 0.66 H new ATOM 0 HD21 LEU A 40 2.595 13.650 0.065 1.00 0.95 H new ATOM 0 HD22 LEU A 40 1.158 12.617 -0.121 1.00 0.95 H new ATOM 0 HD23 LEU A 40 2.302 12.320 1.210 1.00 0.95 H new ATOM 604 N PHE A 41 5.693 9.168 -0.842 1.00 0.28 N ATOM 605 CA PHE A 41 6.928 8.904 -0.166 1.00 0.35 C ATOM 606 C PHE A 41 7.621 10.216 0.134 1.00 0.38 C ATOM 607 O PHE A 41 8.153 10.862 -0.771 1.00 0.41 O ATOM 608 CB PHE A 41 7.811 8.000 -1.044 1.00 0.45 C ATOM 609 CG PHE A 41 9.156 7.679 -0.456 1.00 0.58 C ATOM 610 CD1 PHE A 41 10.286 8.338 -0.890 1.00 0.75 C ATOM 611 CD2 PHE A 41 9.282 6.721 0.541 1.00 0.60 C ATOM 612 CE1 PHE A 41 11.516 8.051 -0.348 1.00 0.88 C ATOM 613 CE2 PHE A 41 10.511 6.429 1.083 1.00 0.74 C ATOM 614 CZ PHE A 41 11.636 7.079 0.618 1.00 0.86 C ATOM 0 H PHE A 41 5.809 9.602 -1.758 1.00 0.28 H new ATOM 0 HA PHE A 41 6.739 8.387 0.775 1.00 0.35 H new ATOM 0 HB2 PHE A 41 7.279 7.067 -1.232 1.00 0.45 H new ATOM 0 HB3 PHE A 41 7.957 8.484 -2.010 1.00 0.45 H new ATOM 0 HD1 PHE A 41 10.204 9.087 -1.664 1.00 0.75 H new ATOM 0 HD2 PHE A 41 8.405 6.200 0.895 1.00 0.60 H new ATOM 0 HE1 PHE A 41 12.391 8.590 -0.681 1.00 0.88 H new ATOM 0 HE2 PHE A 41 10.596 5.694 1.870 1.00 0.74 H new ATOM 0 HZ PHE A 41 12.609 6.825 1.012 1.00 0.86 H new ATOM 624 N ASN A 42 7.537 10.636 1.387 1.00 0.46 N ATOM 625 CA ASN A 42 8.163 11.876 1.887 1.00 0.57 C ATOM 626 C ASN A 42 7.757 13.094 1.067 1.00 0.53 C ATOM 627 O ASN A 42 8.584 13.958 0.744 1.00 0.69 O ATOM 628 CB ASN A 42 9.699 11.760 1.974 1.00 0.73 C ATOM 629 CG ASN A 42 10.171 10.798 3.042 1.00 1.12 C ATOM 630 OD1 ASN A 42 10.342 9.609 2.803 1.00 1.79 O ATOM 631 ND2 ASN A 42 10.398 11.298 4.226 1.00 1.72 N ATOM 0 H ASN A 42 7.026 10.125 2.106 1.00 0.46 H new ATOM 0 HA ASN A 42 7.786 12.019 2.900 1.00 0.57 H new ATOM 0 HB2 ASN A 42 10.087 11.437 1.008 1.00 0.73 H new ATOM 0 HB3 ASN A 42 10.119 12.746 2.172 1.00 0.73 H new ATOM 0 HD21 ASN A 42 10.726 10.695 4.980 1.00 1.72 H new ATOM 0 HD22 ASN A 42 10.247 12.292 4.397 1.00 1.72 H new ATOM 638 N GLY A 43 6.491 13.139 0.699 1.00 0.45 N ATOM 639 CA GLY A 43 5.974 14.259 -0.061 1.00 0.51 C ATOM 640 C GLY A 43 6.123 14.096 -1.573 1.00 0.47 C ATOM 641 O GLY A 43 5.732 14.978 -2.335 1.00 0.61 O ATOM 0 H GLY A 43 5.804 12.416 0.913 1.00 0.45 H new ATOM 0 HA2 GLY A 43 4.919 14.394 0.179 1.00 0.51 H new ATOM 0 HA3 GLY A 43 6.490 15.167 0.250 1.00 0.51 H new ATOM 645 N SER A 44 6.704 13.007 -2.008 1.00 0.38 N ATOM 646 CA SER A 44 6.870 12.733 -3.427 1.00 0.40 C ATOM 647 C SER A 44 6.042 11.531 -3.814 1.00 0.33 C ATOM 648 O SER A 44 5.970 10.562 -3.075 1.00 0.28 O ATOM 649 CB SER A 44 8.346 12.489 -3.731 1.00 0.51 C ATOM 650 OG SER A 44 9.143 13.603 -3.318 1.00 1.37 O ATOM 0 H SER A 44 7.077 12.282 -1.396 1.00 0.38 H new ATOM 0 HA SER A 44 6.530 13.590 -4.008 1.00 0.40 H new ATOM 0 HB2 SER A 44 8.682 11.587 -3.220 1.00 0.51 H new ATOM 0 HB3 SER A 44 8.478 12.318 -4.799 1.00 0.51 H new ATOM 0 HG SER A 44 10.085 13.424 -3.521 1.00 1.37 H new ATOM 656 N VAL A 45 5.379 11.624 -4.935 1.00 0.41 N ATOM 657 CA VAL A 45 4.575 10.543 -5.440 1.00 0.41 C ATOM 658 C VAL A 45 5.452 9.351 -5.784 1.00 0.39 C ATOM 659 O VAL A 45 6.389 9.462 -6.582 1.00 0.45 O ATOM 660 CB VAL A 45 3.744 10.980 -6.682 1.00 0.55 C ATOM 661 CG1 VAL A 45 3.099 9.794 -7.352 1.00 0.68 C ATOM 662 CG2 VAL A 45 2.668 11.948 -6.279 1.00 0.70 C ATOM 0 H VAL A 45 5.381 12.455 -5.527 1.00 0.41 H new ATOM 0 HA VAL A 45 3.874 10.255 -4.657 1.00 0.41 H new ATOM 0 HB VAL A 45 4.431 11.456 -7.381 1.00 0.55 H new ATOM 0 HG11 VAL A 45 2.526 10.131 -8.216 1.00 0.68 H new ATOM 0 HG12 VAL A 45 3.870 9.096 -7.678 1.00 0.68 H new ATOM 0 HG13 VAL A 45 2.434 9.295 -6.647 1.00 0.68 H new ATOM 0 HG21 VAL A 45 2.096 12.244 -7.159 1.00 0.70 H new ATOM 0 HG22 VAL A 45 2.003 11.473 -5.557 1.00 0.70 H new ATOM 0 HG23 VAL A 45 3.122 12.830 -5.828 1.00 0.70 H new ATOM 672 N LEU A 46 5.176 8.241 -5.152 1.00 0.37 N ATOM 673 CA LEU A 46 5.893 7.034 -5.416 1.00 0.40 C ATOM 674 C LEU A 46 5.279 6.401 -6.648 1.00 0.44 C ATOM 675 O LEU A 46 4.054 6.407 -6.803 1.00 0.51 O ATOM 676 CB LEU A 46 5.809 6.094 -4.205 1.00 0.44 C ATOM 677 CG LEU A 46 6.587 4.776 -4.293 1.00 0.51 C ATOM 678 CD1 LEU A 46 8.080 5.035 -4.444 1.00 0.57 C ATOM 679 CD2 LEU A 46 6.315 3.924 -3.064 1.00 0.61 C ATOM 0 H LEU A 46 4.449 8.154 -4.442 1.00 0.37 H new ATOM 0 HA LEU A 46 6.949 7.237 -5.592 1.00 0.40 H new ATOM 0 HB2 LEU A 46 6.162 6.638 -3.329 1.00 0.44 H new ATOM 0 HB3 LEU A 46 4.759 5.857 -4.032 1.00 0.44 H new ATOM 0 HG LEU A 46 6.248 4.235 -5.177 1.00 0.51 H new ATOM 0 HD11 LEU A 46 8.610 4.084 -4.504 1.00 0.57 H new ATOM 0 HD12 LEU A 46 8.260 5.609 -5.353 1.00 0.57 H new ATOM 0 HD13 LEU A 46 8.441 5.597 -3.583 1.00 0.57 H new ATOM 0 HD21 LEU A 46 6.873 2.990 -3.138 1.00 0.61 H new ATOM 0 HD22 LEU A 46 6.628 4.464 -2.170 1.00 0.61 H new ATOM 0 HD23 LEU A 46 5.249 3.706 -3.001 1.00 0.61 H new ATOM 691 N ASN A 47 6.107 5.904 -7.518 1.00 0.54 N ATOM 692 CA ASN A 47 5.657 5.330 -8.770 1.00 0.59 C ATOM 693 C ASN A 47 5.835 3.817 -8.750 1.00 0.53 C ATOM 694 O ASN A 47 6.946 3.325 -8.515 1.00 0.64 O ATOM 695 CB ASN A 47 6.456 5.958 -9.936 1.00 0.79 C ATOM 696 CG ASN A 47 6.155 5.350 -11.305 1.00 1.54 C ATOM 697 OD1 ASN A 47 6.811 4.411 -11.746 1.00 2.47 O ATOM 698 ND2 ASN A 47 5.174 5.881 -11.989 1.00 1.94 N ATOM 0 H ASN A 47 7.118 5.881 -7.388 1.00 0.54 H new ATOM 0 HA ASN A 47 4.597 5.544 -8.908 1.00 0.59 H new ATOM 0 HB2 ASN A 47 6.244 7.027 -9.972 1.00 0.79 H new ATOM 0 HB3 ASN A 47 7.521 5.851 -9.730 1.00 0.79 H new ATOM 0 HD21 ASN A 47 4.939 5.515 -12.912 1.00 1.94 H new ATOM 0 HD22 ASN A 47 4.644 6.661 -11.600 1.00 1.94 H new ATOM 705 N GLU A 48 4.740 3.091 -8.928 1.00 0.49 N ATOM 706 CA GLU A 48 4.775 1.641 -8.985 1.00 0.53 C ATOM 707 C GLU A 48 5.470 1.217 -10.265 1.00 0.53 C ATOM 708 O GLU A 48 5.019 1.540 -11.367 1.00 0.70 O ATOM 709 CB GLU A 48 3.365 1.002 -8.941 1.00 0.69 C ATOM 710 CG GLU A 48 2.445 1.483 -7.819 1.00 0.74 C ATOM 711 CD GLU A 48 1.653 2.719 -8.194 1.00 1.12 C ATOM 712 OE1 GLU A 48 2.253 3.790 -8.385 1.00 1.56 O ATOM 713 OE2 GLU A 48 0.411 2.659 -8.276 1.00 1.74 O ATOM 0 H GLU A 48 3.808 3.491 -9.036 1.00 0.49 H new ATOM 0 HA GLU A 48 5.315 1.293 -8.105 1.00 0.53 H new ATOM 0 HB2 GLU A 48 2.872 1.192 -9.894 1.00 0.69 H new ATOM 0 HB3 GLU A 48 3.480 -0.078 -8.851 1.00 0.69 H new ATOM 0 HG2 GLU A 48 1.755 0.682 -7.554 1.00 0.74 H new ATOM 0 HG3 GLU A 48 3.042 1.696 -6.932 1.00 0.74 H new ATOM 720 N THR A 49 6.540 0.511 -10.130 1.00 0.53 N ATOM 721 CA THR A 49 7.330 0.121 -11.246 1.00 0.58 C ATOM 722 C THR A 49 8.012 -1.225 -10.927 1.00 0.60 C ATOM 723 O THR A 49 7.763 -1.791 -9.872 1.00 0.65 O ATOM 724 CB THR A 49 8.349 1.264 -11.608 1.00 0.71 C ATOM 725 OG1 THR A 49 9.087 0.957 -12.799 1.00 1.57 O ATOM 726 CG2 THR A 49 9.306 1.558 -10.462 1.00 0.98 C ATOM 0 H THR A 49 6.895 0.185 -9.231 1.00 0.53 H new ATOM 0 HA THR A 49 6.710 -0.028 -12.130 1.00 0.58 H new ATOM 0 HB THR A 49 7.755 2.159 -11.791 1.00 0.71 H new ATOM 0 HG1 THR A 49 9.709 1.688 -12.996 1.00 1.57 H new ATOM 0 HG21 THR A 49 9.992 2.353 -10.755 1.00 0.98 H new ATOM 0 HG22 THR A 49 8.739 1.873 -9.586 1.00 0.98 H new ATOM 0 HG23 THR A 49 9.874 0.659 -10.223 1.00 0.98 H new ATOM 734 N SER A 50 8.888 -1.701 -11.794 1.00 0.68 N ATOM 735 CA SER A 50 9.516 -3.026 -11.653 1.00 0.78 C ATOM 736 C SER A 50 10.543 -3.091 -10.477 1.00 0.72 C ATOM 737 O SER A 50 11.227 -4.093 -10.284 1.00 0.86 O ATOM 738 CB SER A 50 10.159 -3.433 -12.993 1.00 0.96 C ATOM 739 OG SER A 50 10.585 -4.787 -13.009 1.00 1.52 O ATOM 0 H SER A 50 9.192 -1.188 -12.621 1.00 0.68 H new ATOM 0 HA SER A 50 8.735 -3.742 -11.397 1.00 0.78 H new ATOM 0 HB2 SER A 50 9.442 -3.273 -13.798 1.00 0.96 H new ATOM 0 HB3 SER A 50 11.013 -2.786 -13.193 1.00 0.96 H new ATOM 0 HG SER A 50 11.000 -5.009 -12.150 1.00 1.52 H new ATOM 745 N PHE A 51 10.662 -2.021 -9.736 1.00 0.64 N ATOM 746 CA PHE A 51 11.537 -1.980 -8.572 1.00 0.68 C ATOM 747 C PHE A 51 10.705 -1.972 -7.298 1.00 0.55 C ATOM 748 O PHE A 51 11.140 -2.469 -6.247 1.00 0.61 O ATOM 749 CB PHE A 51 12.409 -0.718 -8.583 1.00 0.87 C ATOM 750 CG PHE A 51 13.323 -0.579 -9.765 1.00 1.08 C ATOM 751 CD1 PHE A 51 14.552 -1.210 -9.783 1.00 1.39 C ATOM 752 CD2 PHE A 51 12.958 0.201 -10.851 1.00 1.16 C ATOM 753 CE1 PHE A 51 15.400 -1.070 -10.858 1.00 1.59 C ATOM 754 CE2 PHE A 51 13.801 0.343 -11.930 1.00 1.37 C ATOM 755 CZ PHE A 51 15.023 -0.292 -11.934 1.00 1.52 C ATOM 0 H PHE A 51 10.161 -1.151 -9.913 1.00 0.64 H new ATOM 0 HA PHE A 51 12.176 -2.863 -8.606 1.00 0.68 H new ATOM 0 HB2 PHE A 51 11.757 0.154 -8.545 1.00 0.87 H new ATOM 0 HB3 PHE A 51 13.012 -0.705 -7.675 1.00 0.87 H new ATOM 0 HD1 PHE A 51 14.851 -1.820 -8.944 1.00 1.39 H new ATOM 0 HD2 PHE A 51 12.002 0.703 -10.851 1.00 1.16 H new ATOM 0 HE1 PHE A 51 16.358 -1.568 -10.860 1.00 1.59 H new ATOM 0 HE2 PHE A 51 13.505 0.951 -12.772 1.00 1.37 H new ATOM 0 HZ PHE A 51 15.686 -0.181 -12.779 1.00 1.52 H new ATOM 765 N ILE A 52 9.499 -1.427 -7.415 1.00 0.46 N ATOM 766 CA ILE A 52 8.611 -1.173 -6.291 1.00 0.39 C ATOM 767 C ILE A 52 7.174 -1.302 -6.790 1.00 0.37 C ATOM 768 O ILE A 52 6.711 -0.448 -7.543 1.00 0.43 O ATOM 769 CB ILE A 52 8.799 0.297 -5.761 1.00 0.41 C ATOM 770 CG1 ILE A 52 10.251 0.564 -5.303 1.00 0.46 C ATOM 771 CG2 ILE A 52 7.809 0.608 -4.641 1.00 0.41 C ATOM 772 CD1 ILE A 52 10.521 1.989 -4.855 1.00 0.50 C ATOM 0 H ILE A 52 9.105 -1.145 -8.313 1.00 0.46 H new ATOM 0 HA ILE A 52 8.833 -1.880 -5.492 1.00 0.39 H new ATOM 0 HB ILE A 52 8.593 0.968 -6.595 1.00 0.41 H new ATOM 0 HG12 ILE A 52 10.489 -0.112 -4.482 1.00 0.46 H new ATOM 0 HG13 ILE A 52 10.927 0.321 -6.123 1.00 0.46 H new ATOM 0 HG21 ILE A 52 7.962 1.630 -4.294 1.00 0.41 H new ATOM 0 HG22 ILE A 52 6.791 0.500 -5.015 1.00 0.41 H new ATOM 0 HG23 ILE A 52 7.967 -0.084 -3.813 1.00 0.41 H new ATOM 0 HD11 ILE A 52 11.564 2.084 -4.552 1.00 0.50 H new ATOM 0 HD12 ILE A 52 10.319 2.674 -5.679 1.00 0.50 H new ATOM 0 HD13 ILE A 52 9.874 2.234 -4.012 1.00 0.50 H new ATOM 784 N PHE A 53 6.482 -2.343 -6.408 1.00 0.33 N ATOM 785 CA PHE A 53 5.111 -2.519 -6.859 1.00 0.37 C ATOM 786 C PHE A 53 4.172 -2.944 -5.739 1.00 0.31 C ATOM 787 O PHE A 53 4.599 -3.499 -4.715 1.00 0.29 O ATOM 788 CB PHE A 53 5.004 -3.431 -8.110 1.00 0.48 C ATOM 789 CG PHE A 53 5.777 -4.729 -8.068 1.00 1.06 C ATOM 790 CD1 PHE A 53 6.860 -4.922 -8.910 1.00 1.95 C ATOM 791 CD2 PHE A 53 5.418 -5.750 -7.214 1.00 1.15 C ATOM 792 CE1 PHE A 53 7.563 -6.108 -8.902 1.00 2.87 C ATOM 793 CE2 PHE A 53 6.121 -6.937 -7.196 1.00 2.02 C ATOM 794 CZ PHE A 53 7.194 -7.117 -8.042 1.00 2.89 C ATOM 0 H PHE A 53 6.832 -3.078 -5.793 1.00 0.33 H new ATOM 0 HA PHE A 53 4.771 -1.533 -7.176 1.00 0.37 H new ATOM 0 HB2 PHE A 53 3.952 -3.666 -8.272 1.00 0.48 H new ATOM 0 HB3 PHE A 53 5.340 -2.862 -8.977 1.00 0.48 H new ATOM 0 HD1 PHE A 53 7.158 -4.132 -9.583 1.00 1.95 H new ATOM 0 HD2 PHE A 53 4.576 -5.619 -6.551 1.00 1.15 H new ATOM 0 HE1 PHE A 53 8.401 -6.245 -9.569 1.00 2.87 H new ATOM 0 HE2 PHE A 53 5.830 -7.726 -6.518 1.00 2.02 H new ATOM 0 HZ PHE A 53 7.743 -8.047 -8.030 1.00 2.89 H new ATOM 804 N THR A 54 2.899 -2.656 -5.931 1.00 0.35 N ATOM 805 CA THR A 54 1.883 -2.912 -4.943 1.00 0.35 C ATOM 806 C THR A 54 1.119 -4.197 -5.282 1.00 0.35 C ATOM 807 O THR A 54 0.369 -4.242 -6.254 1.00 0.40 O ATOM 808 CB THR A 54 0.901 -1.728 -4.901 1.00 0.39 C ATOM 809 OG1 THR A 54 1.645 -0.512 -4.747 1.00 0.43 O ATOM 810 CG2 THR A 54 -0.058 -1.860 -3.737 1.00 0.44 C ATOM 0 H THR A 54 2.543 -2.233 -6.788 1.00 0.35 H new ATOM 0 HA THR A 54 2.360 -3.032 -3.970 1.00 0.35 H new ATOM 0 HB THR A 54 0.329 -1.719 -5.829 1.00 0.39 H new ATOM 0 HG1 THR A 54 1.095 0.247 -5.034 1.00 0.43 H new ATOM 0 HG21 THR A 54 -0.741 -1.011 -3.730 1.00 0.44 H new ATOM 0 HG22 THR A 54 -0.628 -2.783 -3.838 1.00 0.44 H new ATOM 0 HG23 THR A 54 0.504 -1.881 -2.803 1.00 0.44 H new ATOM 818 N GLU A 55 1.318 -5.214 -4.489 1.00 0.36 N ATOM 819 CA GLU A 55 0.674 -6.493 -4.684 1.00 0.42 C ATOM 820 C GLU A 55 -0.573 -6.548 -3.823 1.00 0.44 C ATOM 821 O GLU A 55 -0.601 -5.965 -2.736 1.00 0.57 O ATOM 822 CB GLU A 55 1.625 -7.614 -4.276 1.00 0.60 C ATOM 823 CG GLU A 55 2.922 -7.654 -5.065 1.00 1.21 C ATOM 824 CD GLU A 55 2.740 -8.072 -6.505 1.00 1.38 C ATOM 825 OE1 GLU A 55 2.102 -7.320 -7.270 1.00 1.67 O ATOM 826 OE2 GLU A 55 3.229 -9.149 -6.910 1.00 2.04 O ATOM 0 H GLU A 55 1.938 -5.182 -3.679 1.00 0.36 H new ATOM 0 HA GLU A 55 0.407 -6.616 -5.734 1.00 0.42 H new ATOM 0 HB2 GLU A 55 1.861 -7.507 -3.217 1.00 0.60 H new ATOM 0 HB3 GLU A 55 1.113 -8.569 -4.393 1.00 0.60 H new ATOM 0 HG2 GLU A 55 3.385 -6.668 -5.037 1.00 1.21 H new ATOM 0 HG3 GLU A 55 3.612 -8.344 -4.579 1.00 1.21 H new ATOM 833 N PHE A 56 -1.589 -7.213 -4.298 1.00 0.52 N ATOM 834 CA PHE A 56 -2.826 -7.356 -3.562 1.00 0.62 C ATOM 835 C PHE A 56 -3.123 -8.829 -3.362 1.00 0.73 C ATOM 836 O PHE A 56 -2.579 -9.685 -4.084 1.00 0.87 O ATOM 837 CB PHE A 56 -4.002 -6.698 -4.319 1.00 0.68 C ATOM 838 CG PHE A 56 -3.900 -5.202 -4.482 1.00 0.63 C ATOM 839 CD1 PHE A 56 -4.488 -4.359 -3.559 1.00 0.69 C ATOM 840 CD2 PHE A 56 -3.228 -4.642 -5.563 1.00 0.61 C ATOM 841 CE1 PHE A 56 -4.410 -2.992 -3.701 1.00 0.69 C ATOM 842 CE2 PHE A 56 -3.144 -3.269 -5.711 1.00 0.59 C ATOM 843 CZ PHE A 56 -3.738 -2.442 -4.776 1.00 0.61 C ATOM 0 H PHE A 56 -1.588 -7.674 -5.208 1.00 0.52 H new ATOM 0 HA PHE A 56 -2.713 -6.859 -2.599 1.00 0.62 H new ATOM 0 HB2 PHE A 56 -4.077 -7.151 -5.307 1.00 0.68 H new ATOM 0 HB3 PHE A 56 -4.928 -6.928 -3.792 1.00 0.68 H new ATOM 0 HD1 PHE A 56 -5.016 -4.778 -2.715 1.00 0.69 H new ATOM 0 HD2 PHE A 56 -2.766 -5.287 -6.296 1.00 0.61 H new ATOM 0 HE1 PHE A 56 -4.875 -2.347 -2.970 1.00 0.69 H new ATOM 0 HE2 PHE A 56 -2.617 -2.845 -6.553 1.00 0.59 H new ATOM 0 HZ PHE A 56 -3.677 -1.369 -4.885 1.00 0.61 H new ATOM 853 N LEU A 57 -3.900 -9.135 -2.365 1.00 0.77 N ATOM 854 CA LEU A 57 -4.377 -10.472 -2.158 1.00 0.93 C ATOM 855 C LEU A 57 -5.894 -10.407 -2.079 1.00 1.04 C ATOM 856 O LEU A 57 -6.457 -9.334 -1.832 1.00 1.04 O ATOM 857 CB LEU A 57 -3.699 -11.143 -0.920 1.00 1.01 C ATOM 858 CG LEU A 57 -3.993 -10.609 0.489 1.00 0.99 C ATOM 859 CD1 LEU A 57 -5.313 -11.152 1.020 1.00 1.25 C ATOM 860 CD2 LEU A 57 -2.852 -10.950 1.434 1.00 1.16 C ATOM 0 H LEU A 57 -4.222 -8.462 -1.669 1.00 0.77 H new ATOM 0 HA LEU A 57 -4.102 -11.120 -2.990 1.00 0.93 H new ATOM 0 HB2 LEU A 57 -3.971 -12.198 -0.932 1.00 1.01 H new ATOM 0 HB3 LEU A 57 -2.621 -11.090 -1.070 1.00 1.01 H new ATOM 0 HG LEU A 57 -4.081 -9.524 0.428 1.00 0.99 H new ATOM 0 HD11 LEU A 57 -5.494 -10.756 2.019 1.00 1.25 H new ATOM 0 HD12 LEU A 57 -6.124 -10.849 0.358 1.00 1.25 H new ATOM 0 HD13 LEU A 57 -5.268 -12.240 1.064 1.00 1.25 H new ATOM 0 HD21 LEU A 57 -3.076 -10.564 2.429 1.00 1.16 H new ATOM 0 HD22 LEU A 57 -2.731 -12.032 1.483 1.00 1.16 H new ATOM 0 HD23 LEU A 57 -1.930 -10.498 1.069 1.00 1.16 H new ATOM 872 N GLU A 58 -6.537 -11.524 -2.289 1.00 1.18 N ATOM 873 CA GLU A 58 -7.986 -11.589 -2.356 1.00 1.31 C ATOM 874 C GLU A 58 -8.683 -11.399 -0.996 1.00 1.24 C ATOM 875 O GLU A 58 -8.434 -12.156 -0.043 1.00 1.32 O ATOM 876 CB GLU A 58 -8.408 -12.897 -3.003 1.00 1.61 C ATOM 877 CG GLU A 58 -8.029 -12.977 -4.472 1.00 2.01 C ATOM 878 CD GLU A 58 -8.709 -11.901 -5.286 1.00 2.65 C ATOM 879 OE1 GLU A 58 -8.062 -10.886 -5.631 1.00 3.36 O ATOM 880 OE2 GLU A 58 -9.912 -12.051 -5.577 1.00 2.90 O ATOM 0 H GLU A 58 -6.075 -12.424 -2.420 1.00 1.18 H new ATOM 0 HA GLU A 58 -8.311 -10.747 -2.967 1.00 1.31 H new ATOM 0 HB2 GLU A 58 -7.947 -13.727 -2.468 1.00 1.61 H new ATOM 0 HB3 GLU A 58 -9.487 -13.014 -2.904 1.00 1.61 H new ATOM 0 HG2 GLU A 58 -6.948 -12.882 -4.574 1.00 2.01 H new ATOM 0 HG3 GLU A 58 -8.301 -13.957 -4.865 1.00 2.01 H new ATOM 887 N PRO A 59 -9.540 -10.363 -0.880 1.00 1.21 N ATOM 888 CA PRO A 59 -10.340 -10.116 0.319 1.00 1.25 C ATOM 889 C PRO A 59 -11.512 -11.092 0.408 1.00 1.26 C ATOM 890 O PRO A 59 -12.099 -11.483 -0.624 1.00 1.35 O ATOM 891 CB PRO A 59 -10.885 -8.687 0.118 1.00 1.37 C ATOM 892 CG PRO A 59 -10.181 -8.144 -1.082 1.00 1.39 C ATOM 893 CD PRO A 59 -9.785 -9.329 -1.903 1.00 1.30 C ATOM 0 HA PRO A 59 -9.754 -10.237 1.230 1.00 1.25 H new ATOM 0 HB2 PRO A 59 -11.964 -8.699 -0.035 1.00 1.37 H new ATOM 0 HB3 PRO A 59 -10.694 -8.069 0.995 1.00 1.37 H new ATOM 0 HG2 PRO A 59 -10.833 -7.478 -1.648 1.00 1.39 H new ATOM 0 HG3 PRO A 59 -9.307 -7.562 -0.791 1.00 1.39 H new ATOM 0 HD2 PRO A 59 -10.573 -9.623 -2.596 1.00 1.30 H new ATOM 0 HD3 PRO A 59 -8.894 -9.130 -2.499 1.00 1.30 H new ATOM 901 N ALA A 60 -11.853 -11.481 1.608 1.00 1.29 N ATOM 902 CA ALA A 60 -12.959 -12.379 1.831 1.00 1.40 C ATOM 903 C ALA A 60 -14.227 -11.554 1.981 1.00 1.40 C ATOM 904 O ALA A 60 -14.172 -10.363 2.247 1.00 1.33 O ATOM 905 CB ALA A 60 -12.702 -13.197 3.077 1.00 1.53 C ATOM 0 H ALA A 60 -11.374 -11.186 2.459 1.00 1.29 H new ATOM 0 HA ALA A 60 -13.072 -13.063 0.990 1.00 1.40 H new ATOM 0 HB1 ALA A 60 -13.538 -13.876 3.246 1.00 1.53 H new ATOM 0 HB2 ALA A 60 -11.786 -13.774 2.951 1.00 1.53 H new ATOM 0 HB3 ALA A 60 -12.597 -12.532 3.934 1.00 1.53 H new ATOM 911 N ALA A 61 -15.365 -12.207 1.823 1.00 1.55 N ATOM 912 CA ALA A 61 -16.675 -11.548 1.808 1.00 1.65 C ATOM 913 C ALA A 61 -17.092 -11.028 3.174 1.00 1.59 C ATOM 914 O ALA A 61 -18.064 -10.279 3.289 1.00 1.70 O ATOM 915 CB ALA A 61 -17.731 -12.483 1.255 1.00 1.91 C ATOM 0 H ALA A 61 -15.415 -13.218 1.700 1.00 1.55 H new ATOM 0 HA ALA A 61 -16.581 -10.680 1.156 1.00 1.65 H new ATOM 0 HB1 ALA A 61 -18.697 -11.979 1.251 1.00 1.91 H new ATOM 0 HB2 ALA A 61 -17.467 -12.769 0.237 1.00 1.91 H new ATOM 0 HB3 ALA A 61 -17.790 -13.375 1.879 1.00 1.91 H new ATOM 921 N ASN A 62 -16.368 -11.428 4.201 1.00 1.52 N ATOM 922 CA ASN A 62 -16.632 -10.959 5.563 1.00 1.56 C ATOM 923 C ASN A 62 -15.786 -9.704 5.819 1.00 1.33 C ATOM 924 O ASN A 62 -15.769 -9.131 6.922 1.00 1.40 O ATOM 925 CB ASN A 62 -16.283 -12.070 6.586 1.00 1.82 C ATOM 926 CG ASN A 62 -16.745 -11.764 8.014 1.00 2.72 C ATOM 927 OD1 ASN A 62 -17.752 -11.092 8.225 1.00 3.49 O ATOM 928 ND2 ASN A 62 -16.034 -12.263 8.990 1.00 3.19 N ATOM 0 H ASN A 62 -15.587 -12.080 4.126 1.00 1.52 H new ATOM 0 HA ASN A 62 -17.689 -10.717 5.677 1.00 1.56 H new ATOM 0 HB2 ASN A 62 -16.737 -13.006 6.260 1.00 1.82 H new ATOM 0 HB3 ASN A 62 -15.204 -12.223 6.588 1.00 1.82 H new ATOM 0 HD21 ASN A 62 -16.310 -12.099 9.958 1.00 3.19 H new ATOM 0 HD22 ASN A 62 -15.203 -12.817 8.784 1.00 3.19 H new ATOM 935 N GLU A 63 -15.081 -9.283 4.783 1.00 1.20 N ATOM 936 CA GLU A 63 -14.213 -8.144 4.848 1.00 1.07 C ATOM 937 C GLU A 63 -14.550 -7.204 3.712 1.00 0.90 C ATOM 938 O GLU A 63 -15.041 -7.626 2.672 1.00 0.97 O ATOM 939 CB GLU A 63 -12.755 -8.570 4.613 1.00 1.16 C ATOM 940 CG GLU A 63 -12.256 -9.755 5.405 1.00 1.31 C ATOM 941 CD GLU A 63 -10.831 -10.094 5.036 1.00 1.42 C ATOM 942 OE1 GLU A 63 -9.918 -9.841 5.853 1.00 1.48 O ATOM 943 OE2 GLU A 63 -10.583 -10.575 3.909 1.00 1.89 O ATOM 0 H GLU A 63 -15.103 -9.734 3.868 1.00 1.20 H new ATOM 0 HA GLU A 63 -14.337 -7.680 5.826 1.00 1.07 H new ATOM 0 HB2 GLU A 63 -12.633 -8.794 3.553 1.00 1.16 H new ATOM 0 HB3 GLU A 63 -12.112 -7.718 4.835 1.00 1.16 H new ATOM 0 HG2 GLU A 63 -12.317 -9.536 6.471 1.00 1.31 H new ATOM 0 HG3 GLU A 63 -12.898 -10.616 5.220 1.00 1.31 H new ATOM 950 N THR A 64 -14.308 -5.958 3.921 1.00 0.80 N ATOM 951 CA THR A 64 -14.285 -4.987 2.860 1.00 0.74 C ATOM 952 C THR A 64 -12.896 -4.380 2.862 1.00 0.59 C ATOM 953 O THR A 64 -12.652 -3.269 2.399 1.00 0.61 O ATOM 954 CB THR A 64 -15.394 -3.913 3.014 1.00 0.90 C ATOM 955 OG1 THR A 64 -15.577 -3.575 4.405 1.00 1.30 O ATOM 956 CG2 THR A 64 -16.707 -4.399 2.413 1.00 1.15 C ATOM 0 H THR A 64 -14.116 -5.569 4.844 1.00 0.80 H new ATOM 0 HA THR A 64 -14.497 -5.464 1.903 1.00 0.74 H new ATOM 0 HB THR A 64 -15.079 -3.020 2.474 1.00 0.90 H new ATOM 0 HG1 THR A 64 -14.728 -3.259 4.779 1.00 1.30 H new ATOM 0 HG21 THR A 64 -17.469 -3.629 2.533 1.00 1.15 H new ATOM 0 HG22 THR A 64 -16.566 -4.608 1.353 1.00 1.15 H new ATOM 0 HG23 THR A 64 -17.026 -5.308 2.923 1.00 1.15 H new ATOM 964 N VAL A 65 -11.981 -5.168 3.404 1.00 0.53 N ATOM 965 CA VAL A 65 -10.627 -4.775 3.578 1.00 0.45 C ATOM 966 C VAL A 65 -9.792 -5.356 2.479 1.00 0.42 C ATOM 967 O VAL A 65 -9.745 -6.571 2.292 1.00 0.49 O ATOM 968 CB VAL A 65 -10.037 -5.272 4.911 1.00 0.52 C ATOM 969 CG1 VAL A 65 -8.699 -4.619 5.162 1.00 0.50 C ATOM 970 CG2 VAL A 65 -10.984 -5.042 6.065 1.00 0.61 C ATOM 0 H VAL A 65 -12.181 -6.112 3.735 1.00 0.53 H new ATOM 0 HA VAL A 65 -10.613 -3.685 3.568 1.00 0.45 H new ATOM 0 HB VAL A 65 -9.890 -6.349 4.834 1.00 0.52 H new ATOM 0 HG11 VAL A 65 -8.291 -4.977 6.107 1.00 0.50 H new ATOM 0 HG12 VAL A 65 -8.014 -4.870 4.352 1.00 0.50 H new ATOM 0 HG13 VAL A 65 -8.825 -3.537 5.208 1.00 0.50 H new ATOM 0 HG21 VAL A 65 -10.530 -5.407 6.986 1.00 0.61 H new ATOM 0 HG22 VAL A 65 -11.191 -3.976 6.159 1.00 0.61 H new ATOM 0 HG23 VAL A 65 -11.916 -5.577 5.883 1.00 0.61 H new ATOM 980 N ARG A 66 -9.124 -4.510 1.786 1.00 0.37 N ATOM 981 CA ARG A 66 -8.253 -4.905 0.730 1.00 0.36 C ATOM 982 C ARG A 66 -6.906 -5.141 1.363 1.00 0.34 C ATOM 983 O ARG A 66 -6.320 -4.223 1.958 1.00 0.41 O ATOM 984 CB ARG A 66 -8.138 -3.803 -0.326 1.00 0.42 C ATOM 985 CG ARG A 66 -9.470 -3.305 -0.882 1.00 1.13 C ATOM 986 CD ARG A 66 -9.269 -2.155 -1.866 1.00 1.10 C ATOM 987 NE ARG A 66 -8.459 -2.561 -3.016 1.00 0.82 N ATOM 988 CZ ARG A 66 -8.237 -1.838 -4.122 1.00 1.15 C ATOM 989 NH1 ARG A 66 -8.615 -0.554 -4.195 1.00 1.61 N ATOM 990 NH2 ARG A 66 -7.599 -2.397 -5.140 1.00 1.84 N ATOM 0 H ARG A 66 -9.164 -3.502 1.936 1.00 0.37 H new ATOM 0 HA ARG A 66 -8.632 -5.796 0.230 1.00 0.36 H new ATOM 0 HB2 ARG A 66 -7.603 -2.958 0.108 1.00 0.42 H new ATOM 0 HB3 ARG A 66 -7.531 -4.173 -1.152 1.00 0.42 H new ATOM 0 HG2 ARG A 66 -9.987 -4.125 -1.380 1.00 1.13 H new ATOM 0 HG3 ARG A 66 -10.108 -2.976 -0.062 1.00 1.13 H new ATOM 0 HD2 ARG A 66 -10.239 -1.799 -2.212 1.00 1.10 H new ATOM 0 HD3 ARG A 66 -8.786 -1.321 -1.357 1.00 1.10 H new ATOM 0 HE ARG A 66 -8.022 -3.482 -2.971 1.00 0.82 H new ATOM 0 HH11 ARG A 66 -9.079 -0.113 -3.401 1.00 1.61 H new ATOM 0 HH12 ARG A 66 -8.438 -0.018 -5.045 1.00 1.61 H new ATOM 0 HH21 ARG A 66 -7.284 -3.365 -5.075 1.00 1.84 H new ATOM 0 HH22 ARG A 66 -7.423 -1.859 -5.989 1.00 1.84 H new ATOM 1004 N HIS A 67 -6.451 -6.351 1.309 1.00 0.35 N ATOM 1005 CA HIS A 67 -5.185 -6.697 1.902 1.00 0.39 C ATOM 1006 C HIS A 67 -4.161 -6.776 0.813 1.00 0.35 C ATOM 1007 O HIS A 67 -4.445 -7.301 -0.268 1.00 0.46 O ATOM 1008 CB HIS A 67 -5.242 -8.044 2.637 1.00 0.53 C ATOM 1009 CG HIS A 67 -6.187 -8.125 3.798 1.00 0.69 C ATOM 1010 ND1 HIS A 67 -5.783 -8.042 5.110 1.00 1.08 N ATOM 1011 CD2 HIS A 67 -7.519 -8.342 3.839 1.00 0.72 C ATOM 1012 CE1 HIS A 67 -6.820 -8.204 5.899 1.00 1.16 C ATOM 1013 NE2 HIS A 67 -7.883 -8.385 5.152 1.00 0.90 N ATOM 0 H HIS A 67 -6.936 -7.127 0.858 1.00 0.35 H new ATOM 0 HA HIS A 67 -4.928 -5.932 2.635 1.00 0.39 H new ATOM 0 HB2 HIS A 67 -5.516 -8.816 1.918 1.00 0.53 H new ATOM 0 HB3 HIS A 67 -4.240 -8.282 2.994 1.00 0.53 H new ATOM 0 HD2 HIS A 67 -8.175 -8.460 2.989 1.00 0.72 H new ATOM 0 HE1 HIS A 67 -6.801 -8.191 6.979 1.00 1.16 H new ATOM 0 HE2 HIS A 67 -8.831 -8.534 5.498 1.00 0.90 H new ATOM 1022 N GLY A 68 -3.008 -6.258 1.065 1.00 0.30 N ATOM 1023 CA GLY A 68 -1.979 -6.297 0.088 1.00 0.31 C ATOM 1024 C GLY A 68 -0.658 -5.971 0.690 1.00 0.24 C ATOM 1025 O GLY A 68 -0.547 -5.846 1.917 1.00 0.26 O ATOM 0 H GLY A 68 -2.755 -5.802 1.942 1.00 0.30 H new ATOM 0 HA2 GLY A 68 -1.941 -7.287 -0.366 1.00 0.31 H new ATOM 0 HA3 GLY A 68 -2.203 -5.589 -0.710 1.00 0.31 H new ATOM 1029 N CYS A 69 0.316 -5.789 -0.143 1.00 0.21 N ATOM 1030 CA CYS A 69 1.650 -5.504 0.285 1.00 0.20 C ATOM 1031 C CYS A 69 2.379 -4.662 -0.745 1.00 0.19 C ATOM 1032 O CYS A 69 2.322 -4.941 -1.947 1.00 0.22 O ATOM 1033 CB CYS A 69 2.409 -6.819 0.512 1.00 0.25 C ATOM 1034 SG CYS A 69 4.206 -6.633 0.746 1.00 0.36 S ATOM 0 H CYS A 69 0.206 -5.835 -1.156 1.00 0.21 H new ATOM 0 HA CYS A 69 1.603 -4.942 1.218 1.00 0.20 H new ATOM 0 HB2 CYS A 69 1.992 -7.316 1.388 1.00 0.25 H new ATOM 0 HB3 CYS A 69 2.234 -7.475 -0.341 1.00 0.25 H new ATOM 1039 N LEU A 70 3.023 -3.621 -0.289 1.00 0.20 N ATOM 1040 CA LEU A 70 3.906 -2.867 -1.133 1.00 0.22 C ATOM 1041 C LEU A 70 5.248 -3.508 -0.973 1.00 0.23 C ATOM 1042 O LEU A 70 5.828 -3.471 0.117 1.00 0.24 O ATOM 1043 CB LEU A 70 3.990 -1.394 -0.712 1.00 0.24 C ATOM 1044 CG LEU A 70 4.931 -0.515 -1.552 1.00 0.25 C ATOM 1045 CD1 LEU A 70 4.440 -0.388 -2.977 1.00 0.26 C ATOM 1046 CD2 LEU A 70 5.104 0.855 -0.934 1.00 0.28 C ATOM 0 H LEU A 70 2.951 -3.276 0.668 1.00 0.20 H new ATOM 0 HA LEU A 70 3.548 -2.874 -2.163 1.00 0.22 H new ATOM 0 HB2 LEU A 70 2.989 -0.965 -0.753 1.00 0.24 H new ATOM 0 HB3 LEU A 70 4.313 -1.350 0.328 1.00 0.24 H new ATOM 0 HG LEU A 70 5.903 -1.009 -1.567 1.00 0.25 H new ATOM 0 HD11 LEU A 70 5.127 0.240 -3.544 1.00 0.26 H new ATOM 0 HD12 LEU A 70 4.390 -1.376 -3.434 1.00 0.26 H new ATOM 0 HD13 LEU A 70 3.448 0.064 -2.981 1.00 0.26 H new ATOM 0 HD21 LEU A 70 5.775 1.451 -1.553 1.00 0.28 H new ATOM 0 HD22 LEU A 70 4.135 1.350 -0.869 1.00 0.28 H new ATOM 0 HD23 LEU A 70 5.527 0.753 0.065 1.00 0.28 H new ATOM 1058 N ARG A 71 5.725 -4.131 -1.991 1.00 0.30 N ATOM 1059 CA ARG A 71 6.949 -4.832 -1.857 1.00 0.35 C ATOM 1060 C ARG A 71 8.036 -4.239 -2.677 1.00 0.36 C ATOM 1061 O ARG A 71 7.866 -3.967 -3.877 1.00 0.42 O ATOM 1062 CB ARG A 71 6.809 -6.333 -2.116 1.00 0.51 C ATOM 1063 CG ARG A 71 6.218 -6.716 -3.464 1.00 1.20 C ATOM 1064 CD ARG A 71 6.275 -8.221 -3.656 1.00 1.20 C ATOM 1065 NE ARG A 71 5.606 -8.937 -2.564 1.00 1.43 N ATOM 1066 CZ ARG A 71 6.151 -9.927 -1.845 1.00 1.80 C ATOM 1067 NH1 ARG A 71 7.367 -10.392 -2.143 1.00 1.98 N ATOM 1068 NH2 ARG A 71 5.462 -10.467 -0.847 1.00 2.68 N ATOM 0 H ARG A 71 5.293 -4.170 -2.914 1.00 0.30 H new ATOM 0 HA ARG A 71 7.235 -4.720 -0.811 1.00 0.35 H new ATOM 0 HB2 ARG A 71 7.794 -6.792 -2.028 1.00 0.51 H new ATOM 0 HB3 ARG A 71 6.186 -6.762 -1.331 1.00 0.51 H new ATOM 0 HG2 ARG A 71 5.185 -6.373 -3.526 1.00 1.20 H new ATOM 0 HG3 ARG A 71 6.767 -6.219 -4.264 1.00 1.20 H new ATOM 0 HD2 ARG A 71 5.806 -8.484 -4.604 1.00 1.20 H new ATOM 0 HD3 ARG A 71 7.315 -8.540 -3.716 1.00 1.20 H new ATOM 0 HE ARG A 71 4.652 -8.659 -2.335 1.00 1.43 H new ATOM 0 HH11 ARG A 71 7.888 -9.993 -2.924 1.00 1.98 H new ATOM 0 HH12 ARG A 71 7.774 -11.146 -1.590 1.00 1.98 H new ATOM 0 HH21 ARG A 71 4.524 -10.128 -0.632 1.00 2.68 H new ATOM 0 HH22 ARG A 71 5.870 -11.221 -0.295 1.00 2.68 H new ATOM 1082 N LEU A 72 9.134 -3.999 -2.031 1.00 0.37 N ATOM 1083 CA LEU A 72 10.291 -3.537 -2.697 1.00 0.42 C ATOM 1084 C LEU A 72 11.034 -4.784 -3.127 1.00 0.44 C ATOM 1085 O LEU A 72 11.574 -5.521 -2.284 1.00 0.49 O ATOM 1086 CB LEU A 72 11.143 -2.721 -1.705 1.00 0.50 C ATOM 1087 CG LEU A 72 10.384 -1.612 -0.943 1.00 0.70 C ATOM 1088 CD1 LEU A 72 11.212 -1.052 0.188 1.00 1.23 C ATOM 1089 CD2 LEU A 72 9.997 -0.501 -1.877 1.00 0.61 C ATOM 0 H LEU A 72 9.244 -4.121 -1.024 1.00 0.37 H new ATOM 0 HA LEU A 72 10.060 -2.899 -3.550 1.00 0.42 H new ATOM 0 HB2 LEU A 72 11.580 -3.405 -0.978 1.00 0.50 H new ATOM 0 HB3 LEU A 72 11.969 -2.265 -2.250 1.00 0.50 H new ATOM 0 HG LEU A 72 9.485 -2.063 -0.523 1.00 0.70 H new ATOM 0 HD11 LEU A 72 10.647 -0.274 0.702 1.00 1.23 H new ATOM 0 HD12 LEU A 72 11.454 -1.849 0.891 1.00 1.23 H new ATOM 0 HD13 LEU A 72 12.133 -0.627 -0.211 1.00 1.23 H new ATOM 0 HD21 LEU A 72 9.463 0.271 -1.323 1.00 0.61 H new ATOM 0 HD22 LEU A 72 10.894 -0.072 -2.324 1.00 0.61 H new ATOM 0 HD23 LEU A 72 9.352 -0.894 -2.663 1.00 0.61 H new ATOM 1101 N ASN A 73 11.004 -5.063 -4.403 1.00 0.56 N ATOM 1102 CA ASN A 73 11.724 -6.209 -4.935 1.00 0.72 C ATOM 1103 C ASN A 73 13.189 -5.875 -5.123 1.00 0.73 C ATOM 1104 O ASN A 73 14.055 -6.727 -4.920 1.00 0.87 O ATOM 1105 CB ASN A 73 11.069 -6.778 -6.210 1.00 0.90 C ATOM 1106 CG ASN A 73 10.969 -5.785 -7.337 1.00 1.41 C ATOM 1107 OD1 ASN A 73 10.031 -5.015 -7.397 1.00 2.18 O ATOM 1108 ND2 ASN A 73 11.890 -5.824 -8.256 1.00 1.84 N ATOM 0 H ASN A 73 10.493 -4.520 -5.099 1.00 0.56 H new ATOM 0 HA ASN A 73 11.664 -7.012 -4.200 1.00 0.72 H new ATOM 0 HB2 ASN A 73 11.643 -7.641 -6.548 1.00 0.90 H new ATOM 0 HB3 ASN A 73 10.069 -7.137 -5.965 1.00 0.90 H new ATOM 0 HD21 ASN A 73 11.837 -5.196 -9.058 1.00 1.84 H new ATOM 0 HD22 ASN A 73 12.664 -6.483 -8.174 1.00 1.84 H new ATOM 1115 N GLN A 74 13.475 -4.642 -5.499 1.00 0.66 N ATOM 1116 CA GLN A 74 14.817 -4.176 -5.524 1.00 0.72 C ATOM 1117 C GLN A 74 14.932 -3.025 -4.562 1.00 0.66 C ATOM 1118 O GLN A 74 14.552 -1.895 -4.880 1.00 0.69 O ATOM 1119 CB GLN A 74 15.246 -3.752 -6.932 1.00 0.86 C ATOM 1120 CG GLN A 74 15.467 -4.915 -7.882 1.00 1.58 C ATOM 1121 CD GLN A 74 16.504 -5.895 -7.349 1.00 2.11 C ATOM 1122 OE1 GLN A 74 17.431 -5.511 -6.604 1.00 2.82 O ATOM 1123 NE2 GLN A 74 16.378 -7.145 -7.717 1.00 2.58 N ATOM 0 H GLN A 74 12.780 -3.955 -5.790 1.00 0.66 H new ATOM 0 HA GLN A 74 15.484 -4.985 -5.227 1.00 0.72 H new ATOM 0 HB2 GLN A 74 14.485 -3.093 -7.350 1.00 0.86 H new ATOM 0 HB3 GLN A 74 16.166 -3.172 -6.862 1.00 0.86 H new ATOM 0 HG2 GLN A 74 14.524 -5.437 -8.043 1.00 1.58 H new ATOM 0 HG3 GLN A 74 15.791 -4.536 -8.851 1.00 1.58 H new ATOM 0 HE21 GLN A 74 15.608 -7.422 -8.326 1.00 2.58 H new ATOM 0 HE22 GLN A 74 17.049 -7.842 -7.394 1.00 2.58 H new ATOM 1132 N PRO A 75 15.447 -3.285 -3.365 1.00 0.75 N ATOM 1133 CA PRO A 75 15.600 -2.272 -2.362 1.00 0.84 C ATOM 1134 C PRO A 75 16.899 -1.485 -2.556 1.00 0.81 C ATOM 1135 O PRO A 75 17.937 -2.044 -2.963 1.00 0.83 O ATOM 1136 CB PRO A 75 15.622 -3.056 -1.040 1.00 1.06 C ATOM 1137 CG PRO A 75 15.585 -4.511 -1.405 1.00 1.25 C ATOM 1138 CD PRO A 75 15.882 -4.599 -2.868 1.00 0.93 C ATOM 0 HA PRO A 75 14.802 -1.530 -2.398 1.00 0.84 H new ATOM 0 HB2 PRO A 75 16.519 -2.823 -0.466 1.00 1.06 H new ATOM 0 HB3 PRO A 75 14.767 -2.791 -0.418 1.00 1.06 H new ATOM 0 HG2 PRO A 75 16.319 -5.073 -0.827 1.00 1.25 H new ATOM 0 HG3 PRO A 75 14.608 -4.940 -1.183 1.00 1.25 H new ATOM 0 HD2 PRO A 75 16.941 -4.773 -3.057 1.00 0.93 H new ATOM 0 HD3 PRO A 75 15.336 -5.413 -3.344 1.00 0.93 H new ATOM 1146 N THR A 76 16.835 -0.210 -2.288 1.00 0.86 N ATOM 1147 CA THR A 76 17.951 0.704 -2.426 1.00 0.90 C ATOM 1148 C THR A 76 17.971 1.620 -1.198 1.00 0.84 C ATOM 1149 O THR A 76 16.968 1.743 -0.497 1.00 0.79 O ATOM 1150 CB THR A 76 17.778 1.540 -3.719 1.00 1.07 C ATOM 1151 OG1 THR A 76 16.431 2.022 -3.793 1.00 1.17 O ATOM 1152 CG2 THR A 76 18.098 0.717 -4.964 1.00 1.22 C ATOM 0 H THR A 76 15.982 0.242 -1.957 1.00 0.86 H new ATOM 0 HA THR A 76 18.891 0.156 -2.493 1.00 0.90 H new ATOM 0 HB THR A 76 18.476 2.377 -3.682 1.00 1.07 H new ATOM 0 HG1 THR A 76 16.318 2.553 -4.609 1.00 1.17 H new ATOM 0 HG21 THR A 76 17.966 1.335 -5.852 1.00 1.22 H new ATOM 0 HG22 THR A 76 19.129 0.368 -4.914 1.00 1.22 H new ATOM 0 HG23 THR A 76 17.427 -0.141 -5.016 1.00 1.22 H new ATOM 1160 N HIS A 77 19.123 2.257 -0.937 1.00 0.92 N ATOM 1161 CA HIS A 77 19.353 3.064 0.292 1.00 0.94 C ATOM 1162 C HIS A 77 18.409 4.267 0.434 1.00 0.81 C ATOM 1163 O HIS A 77 18.413 4.939 1.457 1.00 0.85 O ATOM 1164 CB HIS A 77 20.842 3.510 0.438 1.00 1.20 C ATOM 1165 CG HIS A 77 21.305 4.626 -0.474 1.00 1.36 C ATOM 1166 ND1 HIS A 77 21.841 4.424 -1.721 1.00 1.98 N ATOM 1167 CD2 HIS A 77 21.321 5.967 -0.280 1.00 1.62 C ATOM 1168 CE1 HIS A 77 22.164 5.589 -2.251 1.00 2.03 C ATOM 1169 NE2 HIS A 77 21.855 6.534 -1.398 1.00 1.72 N ATOM 0 H HIS A 77 19.926 2.233 -1.565 1.00 0.92 H new ATOM 0 HA HIS A 77 19.116 2.388 1.113 1.00 0.94 H new ATOM 0 HB2 HIS A 77 21.005 3.822 1.469 1.00 1.20 H new ATOM 0 HB3 HIS A 77 21.477 2.641 0.264 1.00 1.20 H new ATOM 0 HD2 HIS A 77 20.974 6.490 0.599 1.00 1.62 H new ATOM 0 HE1 HIS A 77 22.608 5.738 -3.224 1.00 2.03 H new ATOM 0 HE2 HIS A 77 21.992 7.534 -1.547 1.00 1.72 H new ATOM 1178 N VAL A 78 17.620 4.529 -0.584 1.00 0.83 N ATOM 1179 CA VAL A 78 16.658 5.617 -0.561 1.00 0.92 C ATOM 1180 C VAL A 78 15.354 5.168 0.103 1.00 0.90 C ATOM 1181 O VAL A 78 14.505 5.977 0.415 1.00 1.08 O ATOM 1182 CB VAL A 78 16.352 6.177 -1.980 1.00 1.15 C ATOM 1183 CG1 VAL A 78 17.604 6.740 -2.621 1.00 1.33 C ATOM 1184 CG2 VAL A 78 15.724 5.117 -2.878 1.00 1.14 C ATOM 0 H VAL A 78 17.624 3.996 -1.453 1.00 0.83 H new ATOM 0 HA VAL A 78 17.112 6.420 0.020 1.00 0.92 H new ATOM 0 HB VAL A 78 15.630 6.985 -1.862 1.00 1.15 H new ATOM 0 HG11 VAL A 78 17.364 7.125 -3.612 1.00 1.33 H new ATOM 0 HG12 VAL A 78 17.997 7.547 -2.003 1.00 1.33 H new ATOM 0 HG13 VAL A 78 18.353 5.953 -2.709 1.00 1.33 H new ATOM 0 HG21 VAL A 78 15.524 5.544 -3.861 1.00 1.14 H new ATOM 0 HG22 VAL A 78 16.409 4.275 -2.981 1.00 1.14 H new ATOM 0 HG23 VAL A 78 14.789 4.772 -2.435 1.00 1.14 H new ATOM 1194 N ASN A 79 15.237 3.868 0.346 1.00 0.78 N ATOM 1195 CA ASN A 79 14.005 3.258 0.882 1.00 0.90 C ATOM 1196 C ASN A 79 13.822 3.466 2.381 1.00 0.78 C ATOM 1197 O ASN A 79 12.929 2.875 2.986 1.00 0.96 O ATOM 1198 CB ASN A 79 13.946 1.757 0.542 1.00 1.13 C ATOM 1199 CG ASN A 79 13.732 1.478 -0.944 1.00 1.40 C ATOM 1200 OD1 ASN A 79 14.288 0.528 -1.491 1.00 2.19 O ATOM 1201 ND2 ASN A 79 12.882 2.243 -1.589 1.00 1.22 N ATOM 0 H ASN A 79 15.988 3.198 0.180 1.00 0.78 H new ATOM 0 HA ASN A 79 13.179 3.776 0.395 1.00 0.90 H new ATOM 0 HB2 ASN A 79 14.874 1.283 0.863 1.00 1.13 H new ATOM 0 HB3 ASN A 79 13.139 1.295 1.110 1.00 1.13 H new ATOM 0 HD21 ASN A 79 12.669 2.055 -2.569 1.00 1.22 H new ATOM 0 HD22 ASN A 79 12.435 3.025 -1.110 1.00 1.22 H new ATOM 1208 N ASN A 80 14.656 4.295 2.976 1.00 0.64 N ATOM 1209 CA ASN A 80 14.490 4.666 4.375 1.00 0.59 C ATOM 1210 C ASN A 80 13.638 5.917 4.387 1.00 0.56 C ATOM 1211 O ASN A 80 14.170 7.032 4.317 1.00 0.88 O ATOM 1212 CB ASN A 80 15.839 4.997 5.076 1.00 0.72 C ATOM 1213 CG ASN A 80 16.865 3.879 5.094 1.00 1.05 C ATOM 1214 OD1 ASN A 80 16.842 3.007 5.957 1.00 1.96 O ATOM 1215 ND2 ASN A 80 17.811 3.920 4.185 1.00 1.43 N ATOM 0 H ASN A 80 15.457 4.727 2.516 1.00 0.64 H new ATOM 0 HA ASN A 80 14.044 3.828 4.911 1.00 0.59 H new ATOM 0 HB2 ASN A 80 16.281 5.862 4.582 1.00 0.72 H new ATOM 0 HB3 ASN A 80 15.630 5.290 6.105 1.00 0.72 H new ATOM 0 HD21 ASN A 80 18.550 3.216 4.185 1.00 1.43 H new ATOM 0 HD22 ASN A 80 17.808 4.655 3.478 1.00 1.43 H new ATOM 1222 N GLY A 81 12.341 5.767 4.422 1.00 0.46 N ATOM 1223 CA GLY A 81 11.517 6.933 4.328 1.00 0.49 C ATOM 1224 C GLY A 81 10.108 6.739 4.800 1.00 0.43 C ATOM 1225 O GLY A 81 9.750 5.689 5.346 1.00 0.40 O ATOM 0 H GLY A 81 11.848 4.878 4.512 1.00 0.46 H new ATOM 0 HA2 GLY A 81 11.974 7.733 4.910 1.00 0.49 H new ATOM 0 HA3 GLY A 81 11.496 7.265 3.290 1.00 0.49 H new ATOM 1229 N ASN A 82 9.311 7.743 4.550 1.00 0.45 N ATOM 1230 CA ASN A 82 7.943 7.822 5.005 1.00 0.44 C ATOM 1231 C ASN A 82 6.993 7.416 3.905 1.00 0.37 C ATOM 1232 O ASN A 82 6.747 8.181 2.963 1.00 0.46 O ATOM 1233 CB ASN A 82 7.619 9.257 5.450 1.00 0.56 C ATOM 1234 CG ASN A 82 8.327 9.671 6.728 1.00 1.27 C ATOM 1235 OD1 ASN A 82 9.468 10.139 6.701 1.00 2.23 O ATOM 1236 ND2 ASN A 82 7.644 9.574 7.839 1.00 1.65 N ATOM 0 H ASN A 82 9.602 8.556 4.007 1.00 0.45 H new ATOM 0 HA ASN A 82 7.823 7.141 5.848 1.00 0.44 H new ATOM 0 HB2 ASN A 82 7.894 9.947 4.652 1.00 0.56 H new ATOM 0 HB3 ASN A 82 6.543 9.350 5.594 1.00 0.56 H new ATOM 0 HD21 ASN A 82 8.053 9.890 8.718 1.00 1.65 H new ATOM 0 HD22 ASN A 82 6.702 9.182 7.826 1.00 1.65 H new ATOM 1243 N TYR A 83 6.473 6.224 4.015 1.00 0.29 N ATOM 1244 CA TYR A 83 5.524 5.709 3.060 1.00 0.27 C ATOM 1245 C TYR A 83 4.112 6.006 3.558 1.00 0.28 C ATOM 1246 O TYR A 83 3.648 5.412 4.538 1.00 0.47 O ATOM 1247 CB TYR A 83 5.714 4.186 2.864 1.00 0.34 C ATOM 1248 CG TYR A 83 7.076 3.778 2.313 1.00 0.38 C ATOM 1249 CD1 TYR A 83 7.238 3.435 0.973 1.00 0.60 C ATOM 1250 CD2 TYR A 83 8.200 3.740 3.133 1.00 0.49 C ATOM 1251 CE1 TYR A 83 8.466 3.065 0.472 1.00 0.69 C ATOM 1252 CE2 TYR A 83 9.436 3.373 2.633 1.00 0.55 C ATOM 1253 CZ TYR A 83 9.562 3.032 1.310 1.00 0.60 C ATOM 1254 OH TYR A 83 10.781 2.666 0.800 1.00 0.69 O ATOM 0 H TYR A 83 6.695 5.578 4.772 1.00 0.29 H new ATOM 0 HA TYR A 83 5.685 6.192 2.096 1.00 0.27 H new ATOM 0 HB2 TYR A 83 5.561 3.689 3.822 1.00 0.34 H new ATOM 0 HB3 TYR A 83 4.940 3.821 2.188 1.00 0.34 H new ATOM 0 HD1 TYR A 83 6.383 3.460 0.313 1.00 0.60 H new ATOM 0 HD2 TYR A 83 8.105 4.001 4.177 1.00 0.49 H new ATOM 0 HE1 TYR A 83 8.571 2.802 -0.570 1.00 0.69 H new ATOM 0 HE2 TYR A 83 10.299 3.355 3.282 1.00 0.55 H new ATOM 0 HH TYR A 83 11.448 2.661 1.518 1.00 0.69 H new ATOM 1264 N THR A 84 3.475 6.956 2.941 1.00 0.22 N ATOM 1265 CA THR A 84 2.134 7.326 3.274 1.00 0.23 C ATOM 1266 C THR A 84 1.181 6.771 2.216 1.00 0.22 C ATOM 1267 O THR A 84 1.376 6.987 1.017 1.00 0.26 O ATOM 1268 CB THR A 84 1.996 8.871 3.361 1.00 0.27 C ATOM 1269 OG1 THR A 84 2.943 9.389 4.322 1.00 0.34 O ATOM 1270 CG2 THR A 84 0.586 9.290 3.778 1.00 0.33 C ATOM 0 H THR A 84 3.879 7.503 2.181 1.00 0.22 H new ATOM 0 HA THR A 84 1.882 6.908 4.249 1.00 0.23 H new ATOM 0 HB THR A 84 2.196 9.278 2.370 1.00 0.27 H new ATOM 0 HG1 THR A 84 2.856 10.364 4.375 1.00 0.34 H new ATOM 0 HG21 THR A 84 0.529 10.377 3.828 1.00 0.33 H new ATOM 0 HG22 THR A 84 -0.134 8.922 3.047 1.00 0.33 H new ATOM 0 HG23 THR A 84 0.356 8.870 4.757 1.00 0.33 H new ATOM 1278 N LEU A 85 0.197 6.042 2.656 1.00 0.20 N ATOM 1279 CA LEU A 85 -0.778 5.475 1.774 1.00 0.19 C ATOM 1280 C LEU A 85 -2.027 6.322 1.812 1.00 0.18 C ATOM 1281 O LEU A 85 -2.627 6.516 2.881 1.00 0.19 O ATOM 1282 CB LEU A 85 -1.093 4.023 2.170 1.00 0.20 C ATOM 1283 CG LEU A 85 -2.114 3.279 1.304 1.00 0.20 C ATOM 1284 CD1 LEU A 85 -1.648 3.225 -0.120 1.00 0.21 C ATOM 1285 CD2 LEU A 85 -2.324 1.876 1.821 1.00 0.22 C ATOM 0 H LEU A 85 0.049 5.824 3.641 1.00 0.20 H new ATOM 0 HA LEU A 85 -0.381 5.461 0.759 1.00 0.19 H new ATOM 0 HB2 LEU A 85 -0.161 3.458 2.159 1.00 0.20 H new ATOM 0 HB3 LEU A 85 -1.454 4.022 3.198 1.00 0.20 H new ATOM 0 HG LEU A 85 -3.059 3.820 1.351 1.00 0.20 H new ATOM 0 HD11 LEU A 85 -2.384 2.693 -0.724 1.00 0.21 H new ATOM 0 HD12 LEU A 85 -1.529 4.239 -0.503 1.00 0.21 H new ATOM 0 HD13 LEU A 85 -0.692 2.704 -0.170 1.00 0.21 H new ATOM 0 HD21 LEU A 85 -3.052 1.362 1.194 1.00 0.22 H new ATOM 0 HD22 LEU A 85 -1.379 1.334 1.797 1.00 0.22 H new ATOM 0 HD23 LEU A 85 -2.693 1.917 2.846 1.00 0.22 H new ATOM 1297 N LEU A 86 -2.364 6.871 0.682 1.00 0.20 N ATOM 1298 CA LEU A 86 -3.551 7.664 0.520 1.00 0.22 C ATOM 1299 C LEU A 86 -4.603 6.817 -0.143 1.00 0.22 C ATOM 1300 O LEU A 86 -4.326 6.144 -1.148 1.00 0.27 O ATOM 1301 CB LEU A 86 -3.310 8.924 -0.366 1.00 0.28 C ATOM 1302 CG LEU A 86 -2.383 10.047 0.157 1.00 0.32 C ATOM 1303 CD1 LEU A 86 -2.840 10.566 1.502 1.00 0.36 C ATOM 1304 CD2 LEU A 86 -0.926 9.620 0.198 1.00 0.32 C ATOM 0 H LEU A 86 -1.812 6.779 -0.171 1.00 0.20 H new ATOM 0 HA LEU A 86 -3.862 8.002 1.509 1.00 0.22 H new ATOM 0 HB2 LEU A 86 -2.907 8.583 -1.319 1.00 0.28 H new ATOM 0 HB3 LEU A 86 -4.282 9.371 -0.573 1.00 0.28 H new ATOM 0 HG LEU A 86 -2.455 10.867 -0.557 1.00 0.32 H new ATOM 0 HD11 LEU A 86 -2.165 11.353 1.837 1.00 0.36 H new ATOM 0 HD12 LEU A 86 -3.849 10.967 1.413 1.00 0.36 H new ATOM 0 HD13 LEU A 86 -2.836 9.752 2.227 1.00 0.36 H new ATOM 0 HD21 LEU A 86 -0.316 10.442 0.572 1.00 0.32 H new ATOM 0 HD22 LEU A 86 -0.818 8.759 0.858 1.00 0.32 H new ATOM 0 HD23 LEU A 86 -0.597 9.352 -0.806 1.00 0.32 H new ATOM 1316 N ALA A 87 -5.767 6.806 0.416 1.00 0.21 N ATOM 1317 CA ALA A 87 -6.874 6.129 -0.182 1.00 0.23 C ATOM 1318 C ALA A 87 -8.002 7.090 -0.251 1.00 0.29 C ATOM 1319 O ALA A 87 -8.429 7.616 0.776 1.00 0.31 O ATOM 1320 CB ALA A 87 -7.273 4.918 0.627 1.00 0.24 C ATOM 0 H ALA A 87 -5.980 7.266 1.301 1.00 0.21 H new ATOM 0 HA ALA A 87 -6.600 5.779 -1.177 1.00 0.23 H new ATOM 0 HB1 ALA A 87 -8.118 4.423 0.148 1.00 0.24 H new ATOM 0 HB2 ALA A 87 -6.432 4.226 0.686 1.00 0.24 H new ATOM 0 HB3 ALA A 87 -7.557 5.229 1.632 1.00 0.24 H new ATOM 1326 N ALA A 88 -8.476 7.336 -1.424 1.00 0.36 N ATOM 1327 CA ALA A 88 -9.537 8.277 -1.602 1.00 0.45 C ATOM 1328 C ALA A 88 -10.630 7.684 -2.441 1.00 0.37 C ATOM 1329 O ALA A 88 -10.360 7.082 -3.495 1.00 0.37 O ATOM 1330 CB ALA A 88 -9.010 9.555 -2.234 1.00 0.61 C ATOM 0 H ALA A 88 -8.145 6.897 -2.283 1.00 0.36 H new ATOM 0 HA ALA A 88 -9.951 8.522 -0.624 1.00 0.45 H new ATOM 0 HB1 ALA A 88 -9.830 10.262 -2.363 1.00 0.61 H new ATOM 0 HB2 ALA A 88 -8.250 9.994 -1.587 1.00 0.61 H new ATOM 0 HB3 ALA A 88 -8.571 9.327 -3.205 1.00 0.61 H new ATOM 1336 N ASN A 89 -11.835 7.809 -1.958 1.00 0.49 N ATOM 1337 CA ASN A 89 -13.033 7.379 -2.652 1.00 0.58 C ATOM 1338 C ASN A 89 -14.066 8.500 -2.520 1.00 0.57 C ATOM 1339 O ASN A 89 -13.784 9.456 -1.785 1.00 0.55 O ATOM 1340 CB ASN A 89 -13.574 5.988 -2.137 1.00 0.86 C ATOM 1341 CG ASN A 89 -13.942 5.897 -0.653 1.00 0.59 C ATOM 1342 OD1 ASN A 89 -14.267 6.885 0.004 1.00 0.71 O ATOM 1343 ND2 ASN A 89 -13.960 4.682 -0.137 1.00 1.18 N ATOM 0 H ASN A 89 -12.024 8.224 -1.045 1.00 0.49 H new ATOM 0 HA ASN A 89 -12.807 7.204 -3.704 1.00 0.58 H new ATOM 0 HB2 ASN A 89 -14.456 5.729 -2.722 1.00 0.86 H new ATOM 0 HB3 ASN A 89 -12.818 5.231 -2.347 1.00 0.86 H new ATOM 0 HD21 ASN A 89 -14.249 4.543 0.831 1.00 1.18 H new ATOM 0 HD22 ASN A 89 -13.685 3.882 -0.707 1.00 1.18 H new ATOM 1350 N PRO A 90 -15.238 8.470 -3.217 1.00 0.64 N ATOM 1351 CA PRO A 90 -16.245 9.557 -3.129 1.00 0.68 C ATOM 1352 C PRO A 90 -16.609 9.967 -1.682 1.00 0.56 C ATOM 1353 O PRO A 90 -16.940 11.127 -1.426 1.00 0.63 O ATOM 1354 CB PRO A 90 -17.454 8.974 -3.847 1.00 0.81 C ATOM 1355 CG PRO A 90 -16.872 8.043 -4.848 1.00 1.00 C ATOM 1356 CD PRO A 90 -15.670 7.429 -4.187 1.00 0.74 C ATOM 0 HA PRO A 90 -15.864 10.479 -3.567 1.00 0.68 H new ATOM 0 HB2 PRO A 90 -18.114 8.452 -3.155 1.00 0.81 H new ATOM 0 HB3 PRO A 90 -18.046 9.754 -4.326 1.00 0.81 H new ATOM 0 HG2 PRO A 90 -17.593 7.278 -5.136 1.00 1.00 H new ATOM 0 HG3 PRO A 90 -16.590 8.573 -5.757 1.00 1.00 H new ATOM 0 HD2 PRO A 90 -15.921 6.494 -3.687 1.00 0.74 H new ATOM 0 HD3 PRO A 90 -14.886 7.204 -4.910 1.00 0.74 H new ATOM 1364 N CYS A 91 -16.533 9.028 -0.758 1.00 0.50 N ATOM 1365 CA CYS A 91 -16.819 9.299 0.638 1.00 0.50 C ATOM 1366 C CYS A 91 -15.742 10.177 1.277 1.00 0.46 C ATOM 1367 O CYS A 91 -16.055 11.222 1.873 1.00 0.61 O ATOM 1368 CB CYS A 91 -16.968 7.992 1.425 1.00 0.61 C ATOM 1369 SG CYS A 91 -17.085 8.208 3.237 1.00 1.10 S ATOM 0 H CYS A 91 -16.273 8.061 -0.952 1.00 0.50 H new ATOM 0 HA CYS A 91 -17.762 9.845 0.675 1.00 0.50 H new ATOM 0 HB2 CYS A 91 -17.860 7.472 1.075 1.00 0.61 H new ATOM 0 HB3 CYS A 91 -16.116 7.349 1.203 1.00 0.61 H new ATOM 1374 N GLY A 92 -14.488 9.801 1.129 1.00 0.46 N ATOM 1375 CA GLY A 92 -13.446 10.561 1.754 1.00 0.58 C ATOM 1376 C GLY A 92 -12.082 10.010 1.486 1.00 0.49 C ATOM 1377 O GLY A 92 -11.926 9.051 0.706 1.00 0.59 O ATOM 0 H GLY A 92 -14.178 8.991 0.592 1.00 0.46 H new ATOM 0 HA2 GLY A 92 -13.492 11.591 1.400 1.00 0.58 H new ATOM 0 HA3 GLY A 92 -13.617 10.586 2.830 1.00 0.58 H new ATOM 1381 N GLN A 93 -11.102 10.593 2.135 1.00 0.46 N ATOM 1382 CA GLN A 93 -9.727 10.211 1.970 1.00 0.42 C ATOM 1383 C GLN A 93 -9.122 9.833 3.305 1.00 0.41 C ATOM 1384 O GLN A 93 -9.289 10.546 4.307 1.00 0.56 O ATOM 1385 CB GLN A 93 -8.920 11.359 1.351 1.00 0.53 C ATOM 1386 CG GLN A 93 -7.449 11.034 1.120 1.00 0.58 C ATOM 1387 CD GLN A 93 -6.673 12.203 0.570 1.00 0.92 C ATOM 1388 OE1 GLN A 93 -6.585 12.390 -0.635 1.00 1.57 O ATOM 1389 NE2 GLN A 93 -6.085 12.985 1.438 1.00 1.33 N ATOM 0 H GLN A 93 -11.243 11.354 2.799 1.00 0.46 H new ATOM 0 HA GLN A 93 -9.692 9.350 1.302 1.00 0.42 H new ATOM 0 HB2 GLN A 93 -9.373 11.635 0.399 1.00 0.53 H new ATOM 0 HB3 GLN A 93 -8.990 12.230 2.002 1.00 0.53 H new ATOM 0 HG2 GLN A 93 -7.000 10.716 2.061 1.00 0.58 H new ATOM 0 HG3 GLN A 93 -7.371 10.194 0.429 1.00 0.58 H new ATOM 0 HE21 GLN A 93 -6.179 12.800 2.437 1.00 1.33 H new ATOM 0 HE22 GLN A 93 -5.532 13.780 1.116 1.00 1.33 H new ATOM 1398 N ALA A 94 -8.441 8.731 3.321 1.00 0.30 N ATOM 1399 CA ALA A 94 -7.737 8.266 4.480 1.00 0.33 C ATOM 1400 C ALA A 94 -6.263 8.255 4.164 1.00 0.31 C ATOM 1401 O ALA A 94 -5.876 8.153 2.991 1.00 0.30 O ATOM 1402 CB ALA A 94 -8.185 6.877 4.845 1.00 0.37 C ATOM 0 H ALA A 94 -8.355 8.114 2.513 1.00 0.30 H new ATOM 0 HA ALA A 94 -7.942 8.925 5.323 1.00 0.33 H new ATOM 0 HB1 ALA A 94 -7.641 6.539 5.727 1.00 0.37 H new ATOM 0 HB2 ALA A 94 -9.254 6.884 5.059 1.00 0.37 H new ATOM 0 HB3 ALA A 94 -7.985 6.200 4.014 1.00 0.37 H new ATOM 1408 N SER A 95 -5.456 8.354 5.177 1.00 0.36 N ATOM 1409 CA SER A 95 -4.042 8.358 5.020 1.00 0.37 C ATOM 1410 C SER A 95 -3.397 7.644 6.196 1.00 0.38 C ATOM 1411 O SER A 95 -3.856 7.765 7.330 1.00 0.57 O ATOM 1412 CB SER A 95 -3.539 9.803 4.903 1.00 0.43 C ATOM 1413 OG SER A 95 -4.012 10.610 5.981 1.00 0.50 O ATOM 0 H SER A 95 -5.769 8.435 6.144 1.00 0.36 H new ATOM 0 HA SER A 95 -3.769 7.828 4.107 1.00 0.37 H new ATOM 0 HB2 SER A 95 -2.449 9.810 4.893 1.00 0.43 H new ATOM 0 HB3 SER A 95 -3.870 10.229 3.956 1.00 0.43 H new ATOM 0 HG SER A 95 -3.673 11.524 5.879 1.00 0.50 H new ATOM 1419 N ALA A 96 -2.406 6.862 5.926 1.00 0.27 N ATOM 1420 CA ALA A 96 -1.658 6.185 6.960 1.00 0.27 C ATOM 1421 C ALA A 96 -0.215 6.255 6.585 1.00 0.23 C ATOM 1422 O ALA A 96 0.092 6.361 5.402 1.00 0.26 O ATOM 1423 CB ALA A 96 -2.098 4.740 7.081 1.00 0.30 C ATOM 0 H ALA A 96 -2.081 6.666 4.979 1.00 0.27 H new ATOM 0 HA ALA A 96 -1.831 6.662 7.925 1.00 0.27 H new ATOM 0 HB1 ALA A 96 -1.522 4.249 7.865 1.00 0.30 H new ATOM 0 HB2 ALA A 96 -3.158 4.702 7.332 1.00 0.30 H new ATOM 0 HB3 ALA A 96 -1.931 4.228 6.133 1.00 0.30 H new ATOM 1429 N SER A 97 0.665 6.228 7.541 1.00 0.26 N ATOM 1430 CA SER A 97 2.066 6.310 7.246 1.00 0.28 C ATOM 1431 C SER A 97 2.843 5.230 7.976 1.00 0.25 C ATOM 1432 O SER A 97 2.512 4.866 9.111 1.00 0.38 O ATOM 1433 CB SER A 97 2.588 7.697 7.601 1.00 0.41 C ATOM 1434 OG SER A 97 1.817 8.692 6.932 1.00 1.26 O ATOM 0 H SER A 97 0.439 6.150 8.532 1.00 0.26 H new ATOM 0 HA SER A 97 2.208 6.146 6.178 1.00 0.28 H new ATOM 0 HB2 SER A 97 2.537 7.849 8.679 1.00 0.41 H new ATOM 0 HB3 SER A 97 3.636 7.784 7.316 1.00 0.41 H new ATOM 0 HG SER A 97 2.228 8.897 6.066 1.00 1.26 H new ATOM 1440 N ILE A 98 3.815 4.689 7.299 1.00 0.25 N ATOM 1441 CA ILE A 98 4.704 3.706 7.842 1.00 0.28 C ATOM 1442 C ILE A 98 6.117 4.112 7.408 1.00 0.28 C ATOM 1443 O ILE A 98 6.369 4.359 6.218 1.00 0.30 O ATOM 1444 CB ILE A 98 4.276 2.244 7.361 1.00 0.36 C ATOM 1445 CG1 ILE A 98 5.072 1.081 8.043 1.00 0.72 C ATOM 1446 CG2 ILE A 98 4.294 2.100 5.840 1.00 0.39 C ATOM 1447 CD1 ILE A 98 6.519 0.907 7.625 1.00 0.37 C ATOM 0 H ILE A 98 4.015 4.927 6.328 1.00 0.25 H new ATOM 0 HA ILE A 98 4.667 3.665 8.931 1.00 0.28 H new ATOM 0 HB ILE A 98 3.245 2.142 7.700 1.00 0.36 H new ATOM 0 HG12 ILE A 98 5.046 1.238 9.121 1.00 0.72 H new ATOM 0 HG13 ILE A 98 4.546 0.147 7.844 1.00 0.72 H new ATOM 0 HG21 ILE A 98 3.995 1.088 5.567 1.00 0.39 H new ATOM 0 HG22 ILE A 98 3.600 2.815 5.399 1.00 0.39 H new ATOM 0 HG23 ILE A 98 5.300 2.294 5.468 1.00 0.39 H new ATOM 0 HD11 ILE A 98 6.957 0.070 8.169 1.00 0.37 H new ATOM 0 HD12 ILE A 98 6.567 0.709 6.554 1.00 0.37 H new ATOM 0 HD13 ILE A 98 7.075 1.817 7.851 1.00 0.37 H new ATOM 1459 N MET A 99 7.003 4.282 8.352 1.00 0.34 N ATOM 1460 CA MET A 99 8.339 4.690 8.020 1.00 0.41 C ATOM 1461 C MET A 99 9.264 3.498 8.122 1.00 0.40 C ATOM 1462 O MET A 99 9.683 3.097 9.218 1.00 0.51 O ATOM 1463 CB MET A 99 8.805 5.845 8.908 1.00 0.59 C ATOM 1464 CG MET A 99 10.093 6.471 8.419 1.00 0.85 C ATOM 1465 SD MET A 99 10.565 7.939 9.327 1.00 1.25 S ATOM 1466 CE MET A 99 11.954 8.451 8.325 1.00 1.18 C ATOM 0 H MET A 99 6.826 4.146 9.347 1.00 0.34 H new ATOM 0 HA MET A 99 8.356 5.060 6.995 1.00 0.41 H new ATOM 0 HB2 MET A 99 8.026 6.607 8.946 1.00 0.59 H new ATOM 0 HB3 MET A 99 8.945 5.482 9.926 1.00 0.59 H new ATOM 0 HG2 MET A 99 10.895 5.736 8.491 1.00 0.85 H new ATOM 0 HG3 MET A 99 9.987 6.725 7.364 1.00 0.85 H new ATOM 0 HE1 MET A 99 12.385 9.362 8.739 1.00 1.18 H new ATOM 0 HE2 MET A 99 12.707 7.663 8.318 1.00 1.18 H new ATOM 0 HE3 MET A 99 11.617 8.640 7.306 1.00 1.18 H new ATOM 1476 N ALA A 100 9.545 2.911 6.995 1.00 0.42 N ATOM 1477 CA ALA A 100 10.362 1.728 6.943 1.00 0.48 C ATOM 1478 C ALA A 100 11.817 2.093 6.768 1.00 0.48 C ATOM 1479 O ALA A 100 12.151 3.058 6.070 1.00 0.57 O ATOM 1480 CB ALA A 100 9.899 0.797 5.825 1.00 0.58 C ATOM 0 H ALA A 100 9.216 3.236 6.086 1.00 0.42 H new ATOM 0 HA ALA A 100 10.254 1.198 7.890 1.00 0.48 H new ATOM 0 HB1 ALA A 100 10.532 -0.090 5.805 1.00 0.58 H new ATOM 0 HB2 ALA A 100 8.865 0.502 6.002 1.00 0.58 H new ATOM 0 HB3 ALA A 100 9.970 1.314 4.868 1.00 0.58 H new ATOM 1486 N ALA A 101 12.657 1.341 7.413 1.00 0.56 N ATOM 1487 CA ALA A 101 14.073 1.518 7.342 1.00 0.65 C ATOM 1488 C ALA A 101 14.655 0.333 6.595 1.00 0.66 C ATOM 1489 O ALA A 101 14.170 -0.795 6.726 1.00 0.77 O ATOM 1490 CB ALA A 101 14.648 1.605 8.746 1.00 0.84 C ATOM 0 H ALA A 101 12.369 0.571 8.016 1.00 0.56 H new ATOM 0 HA ALA A 101 14.322 2.441 6.818 1.00 0.65 H new ATOM 0 HB1 ALA A 101 15.728 1.740 8.689 1.00 0.84 H new ATOM 0 HB2 ALA A 101 14.204 2.452 9.269 1.00 0.84 H new ATOM 0 HB3 ALA A 101 14.425 0.686 9.288 1.00 0.84 H new ATOM 1496 N PHE A 102 15.653 0.585 5.817 1.00 0.75 N ATOM 1497 CA PHE A 102 16.274 -0.440 4.992 1.00 0.87 C ATOM 1498 C PHE A 102 17.702 -0.784 5.449 1.00 1.20 C ATOM 1499 O PHE A 102 17.921 -1.806 6.103 1.00 2.05 O ATOM 1500 CB PHE A 102 16.216 -0.041 3.498 1.00 0.97 C ATOM 1501 CG PHE A 102 17.016 -0.924 2.574 1.00 1.69 C ATOM 1502 CD1 PHE A 102 16.870 -2.292 2.590 1.00 2.20 C ATOM 1503 CD2 PHE A 102 17.911 -0.369 1.693 1.00 2.45 C ATOM 1504 CE1 PHE A 102 17.607 -3.094 1.745 1.00 3.25 C ATOM 1505 CE2 PHE A 102 18.647 -1.158 0.845 1.00 3.51 C ATOM 1506 CZ PHE A 102 18.496 -2.527 0.870 1.00 3.86 C ATOM 0 H PHE A 102 16.076 1.508 5.723 1.00 0.75 H new ATOM 0 HA PHE A 102 15.698 -1.357 5.118 1.00 0.87 H new ATOM 0 HB2 PHE A 102 15.175 -0.050 3.175 1.00 0.97 H new ATOM 0 HB3 PHE A 102 16.573 0.984 3.397 1.00 0.97 H new ATOM 0 HD1 PHE A 102 16.168 -2.744 3.275 1.00 2.20 H new ATOM 0 HD2 PHE A 102 18.038 0.703 1.667 1.00 2.45 H new ATOM 0 HE1 PHE A 102 17.484 -4.167 1.773 1.00 3.25 H new ATOM 0 HE2 PHE A 102 19.346 -0.705 0.157 1.00 3.51 H new ATOM 0 HZ PHE A 102 19.075 -3.150 0.204 1.00 3.86 H new