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 -85:sc= 0.787 USER MOD Set 1.2: A 97 SER OG : rot 180:sc= 0.682 USER MOD Set 2.1: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 79 ASN : amide:sc= -0.88! C(o=-0.83!,f=-11!) USER MOD Set 2.3: A 83 TYR OH : rot 175:sc= 0.0533 USER MOD Set 3.1: A 28 SER OG : rot -104:sc= 1.26 USER MOD Set 3.2: A 67 HIS : no HD1:sc= 2.16 K(o=3.4,f=-5.8!) USER MOD Set 4.1: A 42 ASN : amide:sc= 0.952 K(o=0.95,f=-4.5!) USER MOD Set 4.2: A 82 ASN : amide:sc= 0 X(o=0.95,f=0.95) USER MOD Single : A 7 SER OG : rot -34:sc= 0.301 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0371 USER MOD Single : A 20 MET CE :methyl -159:sc= -0.107 (180deg=-0.6) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=-0.00043) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=-0.0085) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 31:sc= 0.0428 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.0375 X(o=-0.038,f=-0.027) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.145 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 72:sc= 0.652 USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0.267! C(o=0.27!,f=-11!) USER MOD Single : A 74 GLN : amide:sc= 0.361 X(o=0.36,f=-0.11) USER MOD Single : A 77 HIS :FLIP no HD1:sc= -0.164 F(o=-0.75,f=-0.16) USER MOD Single : A 80 ASN : amide:sc= -0.01 K(o=-0.01,f=-2.8!) USER MOD Single : A 89 ASN : amide:sc= -0.59 K(o=-0.59,f=-7!) USER MOD Single : A 93 GLN : amide:sc= -0.0261 K(o=-0.026,f=-1.3!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 79 N SER A 7 -22.574 2.548 4.027 1.00 1.06 N ATOM 80 CA SER A 7 -21.466 2.837 3.216 1.00 0.91 C ATOM 81 C SER A 7 -20.210 2.795 4.051 1.00 0.81 C ATOM 82 O SER A 7 -19.908 3.725 4.796 1.00 0.91 O ATOM 83 CB SER A 7 -21.676 4.192 2.520 1.00 1.01 C ATOM 84 OG SER A 7 -22.173 5.174 3.436 1.00 1.58 O ATOM 0 HA SER A 7 -21.358 2.088 2.431 1.00 0.91 H new ATOM 0 HB2 SER A 7 -20.733 4.534 2.092 1.00 1.01 H new ATOM 0 HB3 SER A 7 -22.377 4.074 1.694 1.00 1.01 H new ATOM 0 HG SER A 7 -22.761 4.743 4.091 1.00 1.58 H new ATOM 90 N PHE A 8 -19.518 1.682 3.981 1.00 0.75 N ATOM 91 CA PHE A 8 -18.275 1.556 4.677 1.00 0.70 C ATOM 92 C PHE A 8 -17.258 2.348 3.910 1.00 0.53 C ATOM 93 O PHE A 8 -16.962 2.032 2.766 1.00 0.54 O ATOM 94 CB PHE A 8 -17.836 0.093 4.798 1.00 0.85 C ATOM 95 CG PHE A 8 -18.846 -0.818 5.452 1.00 0.77 C ATOM 96 CD1 PHE A 8 -19.209 -2.030 4.872 1.00 0.88 C ATOM 97 CD2 PHE A 8 -19.451 -0.448 6.637 1.00 1.01 C ATOM 98 CE1 PHE A 8 -20.150 -2.844 5.469 1.00 0.85 C ATOM 99 CE2 PHE A 8 -20.389 -1.263 7.239 1.00 1.19 C ATOM 100 CZ PHE A 8 -20.670 -2.532 6.657 1.00 0.96 C ATOM 0 H PHE A 8 -19.799 0.858 3.450 1.00 0.75 H new ATOM 0 HA PHE A 8 -18.381 1.931 5.695 1.00 0.70 H new ATOM 0 HB2 PHE A 8 -17.615 -0.289 3.801 1.00 0.85 H new ATOM 0 HB3 PHE A 8 -16.908 0.053 5.368 1.00 0.85 H new ATOM 0 HD1 PHE A 8 -18.749 -2.337 3.944 1.00 0.88 H new ATOM 0 HD2 PHE A 8 -19.187 0.492 7.099 1.00 1.01 H new ATOM 0 HE1 PHE A 8 -20.470 -3.746 4.968 1.00 0.85 H new ATOM 0 HE2 PHE A 8 -20.900 -0.944 8.135 1.00 1.19 H new ATOM 0 HZ PHE A 8 -21.301 -3.239 7.175 1.00 0.96 H new ATOM 110 N CYS A 9 -16.749 3.367 4.515 1.00 0.49 N ATOM 111 CA CYS A 9 -15.825 4.268 3.862 1.00 0.44 C ATOM 112 C CYS A 9 -14.433 3.680 3.933 1.00 0.37 C ATOM 113 O CYS A 9 -14.248 2.638 4.536 1.00 0.40 O ATOM 114 CB CYS A 9 -15.890 5.604 4.577 1.00 0.62 C ATOM 115 SG CYS A 9 -17.580 6.272 4.676 1.00 1.32 S ATOM 0 H CYS A 9 -16.956 3.611 5.484 1.00 0.49 H new ATOM 0 HA CYS A 9 -16.083 4.410 2.812 1.00 0.44 H new ATOM 0 HB2 CYS A 9 -15.490 5.491 5.585 1.00 0.62 H new ATOM 0 HB3 CYS A 9 -15.252 6.319 4.059 1.00 0.62 H new ATOM 120 N ALA A 10 -13.459 4.341 3.358 1.00 0.35 N ATOM 121 CA ALA A 10 -12.150 3.755 3.278 1.00 0.35 C ATOM 122 C ALA A 10 -11.295 4.192 4.409 1.00 0.29 C ATOM 123 O ALA A 10 -11.176 5.386 4.688 1.00 0.34 O ATOM 124 CB ALA A 10 -11.456 4.076 1.964 1.00 0.45 C ATOM 0 H ALA A 10 -13.547 5.270 2.946 1.00 0.35 H new ATOM 0 HA ALA A 10 -12.293 2.676 3.333 1.00 0.35 H new ATOM 0 HB1 ALA A 10 -10.470 3.612 1.950 1.00 0.45 H new ATOM 0 HB2 ALA A 10 -12.050 3.691 1.135 1.00 0.45 H new ATOM 0 HB3 ALA A 10 -11.350 5.156 1.863 1.00 0.45 H new ATOM 130 N SER A 11 -10.751 3.229 5.074 1.00 0.27 N ATOM 131 CA SER A 11 -9.808 3.434 6.115 1.00 0.27 C ATOM 132 C SER A 11 -8.554 2.672 5.738 1.00 0.23 C ATOM 133 O SER A 11 -8.641 1.590 5.143 1.00 0.25 O ATOM 134 CB SER A 11 -10.379 2.955 7.439 1.00 0.37 C ATOM 135 OG SER A 11 -11.594 3.638 7.723 1.00 1.19 O ATOM 0 H SER A 11 -10.959 2.246 4.900 1.00 0.27 H new ATOM 0 HA SER A 11 -9.575 4.492 6.237 1.00 0.27 H new ATOM 0 HB2 SER A 11 -10.557 1.880 7.399 1.00 0.37 H new ATOM 0 HB3 SER A 11 -9.659 3.129 8.239 1.00 0.37 H new ATOM 0 HG SER A 11 -11.955 3.321 8.577 1.00 1.19 H new ATOM 141 N VAL A 12 -7.415 3.223 6.047 1.00 0.23 N ATOM 142 CA VAL A 12 -6.166 2.647 5.628 1.00 0.22 C ATOM 143 C VAL A 12 -5.347 2.197 6.827 1.00 0.24 C ATOM 144 O VAL A 12 -5.052 2.984 7.729 1.00 0.29 O ATOM 145 CB VAL A 12 -5.348 3.650 4.761 1.00 0.23 C ATOM 146 CG1 VAL A 12 -4.034 3.065 4.382 1.00 0.24 C ATOM 147 CG2 VAL A 12 -6.088 3.986 3.496 1.00 0.27 C ATOM 0 H VAL A 12 -7.324 4.079 6.593 1.00 0.23 H new ATOM 0 HA VAL A 12 -6.394 1.774 5.017 1.00 0.22 H new ATOM 0 HB VAL A 12 -5.200 4.550 5.358 1.00 0.23 H new ATOM 0 HG11 VAL A 12 -3.478 3.781 3.777 1.00 0.24 H new ATOM 0 HG12 VAL A 12 -3.466 2.833 5.283 1.00 0.24 H new ATOM 0 HG13 VAL A 12 -4.194 2.152 3.808 1.00 0.24 H new ATOM 0 HG21 VAL A 12 -5.499 4.688 2.905 1.00 0.27 H new ATOM 0 HG22 VAL A 12 -6.254 3.076 2.919 1.00 0.27 H new ATOM 0 HG23 VAL A 12 -7.048 4.438 3.745 1.00 0.27 H new ATOM 157 N GLN A 13 -5.042 0.939 6.848 1.00 0.24 N ATOM 158 CA GLN A 13 -4.228 0.341 7.861 1.00 0.29 C ATOM 159 C GLN A 13 -2.869 0.000 7.263 1.00 0.26 C ATOM 160 O GLN A 13 -2.790 -0.774 6.303 1.00 0.32 O ATOM 161 CB GLN A 13 -4.899 -0.941 8.374 1.00 0.40 C ATOM 162 CG GLN A 13 -6.231 -0.727 9.075 1.00 0.68 C ATOM 163 CD GLN A 13 -6.885 -2.034 9.488 1.00 1.43 C ATOM 164 OE1 GLN A 13 -7.675 -2.624 8.737 1.00 2.18 O ATOM 165 NE2 GLN A 13 -6.550 -2.517 10.660 1.00 2.06 N ATOM 0 H GLN A 13 -5.362 0.278 6.140 1.00 0.24 H new ATOM 0 HA GLN A 13 -4.104 1.036 8.692 1.00 0.29 H new ATOM 0 HB2 GLN A 13 -5.052 -1.616 7.532 1.00 0.40 H new ATOM 0 HB3 GLN A 13 -4.218 -1.440 9.063 1.00 0.40 H new ATOM 0 HG2 GLN A 13 -6.078 -0.106 9.957 1.00 0.68 H new ATOM 0 HG3 GLN A 13 -6.903 -0.181 8.413 1.00 0.68 H new ATOM 0 HE21 GLN A 13 -5.897 -2.006 11.254 1.00 2.06 H new ATOM 0 HE22 GLN A 13 -6.942 -3.403 10.977 1.00 2.06 H new ATOM 174 N LEU A 14 -1.828 0.585 7.792 1.00 0.28 N ATOM 175 CA LEU A 14 -0.475 0.298 7.359 1.00 0.25 C ATOM 176 C LEU A 14 0.298 -0.335 8.478 1.00 0.25 C ATOM 177 O LEU A 14 0.120 0.011 9.644 1.00 0.33 O ATOM 178 CB LEU A 14 0.251 1.540 6.819 1.00 0.24 C ATOM 179 CG LEU A 14 -0.100 1.958 5.388 1.00 0.24 C ATOM 180 CD1 LEU A 14 0.568 3.258 5.040 1.00 0.23 C ATOM 181 CD2 LEU A 14 0.365 0.904 4.416 1.00 0.25 C ATOM 0 H LEU A 14 -1.888 1.277 8.538 1.00 0.28 H new ATOM 0 HA LEU A 14 -0.540 -0.403 6.527 1.00 0.25 H new ATOM 0 HB2 LEU A 14 0.038 2.378 7.483 1.00 0.24 H new ATOM 0 HB3 LEU A 14 1.325 1.359 6.870 1.00 0.24 H new ATOM 0 HG LEU A 14 -1.182 2.076 5.324 1.00 0.24 H new ATOM 0 HD11 LEU A 14 0.307 3.539 4.020 1.00 0.23 H new ATOM 0 HD12 LEU A 14 0.233 4.035 5.727 1.00 0.23 H new ATOM 0 HD13 LEU A 14 1.649 3.144 5.120 1.00 0.23 H new ATOM 0 HD21 LEU A 14 0.112 1.208 3.400 1.00 0.25 H new ATOM 0 HD22 LEU A 14 1.445 0.783 4.500 1.00 0.25 H new ATOM 0 HD23 LEU A 14 -0.125 -0.043 4.644 1.00 0.25 H new ATOM 193 N HIS A 15 1.162 -1.241 8.133 1.00 0.21 N ATOM 194 CA HIS A 15 1.887 -2.001 9.116 1.00 0.24 C ATOM 195 C HIS A 15 3.343 -1.979 8.771 1.00 0.21 C ATOM 196 O HIS A 15 3.705 -1.835 7.599 1.00 0.22 O ATOM 197 CB HIS A 15 1.391 -3.465 9.155 1.00 0.34 C ATOM 198 CG HIS A 15 -0.040 -3.645 9.579 1.00 0.54 C ATOM 199 ND1 HIS A 15 -0.413 -3.873 10.878 1.00 0.92 N ATOM 200 CD2 HIS A 15 -1.191 -3.647 8.856 1.00 0.62 C ATOM 201 CE1 HIS A 15 -1.721 -4.005 10.944 1.00 1.03 C ATOM 202 NE2 HIS A 15 -2.218 -3.875 9.732 1.00 0.83 N ATOM 0 H HIS A 15 1.387 -1.477 7.166 1.00 0.21 H new ATOM 0 HA HIS A 15 1.723 -1.555 10.097 1.00 0.24 H new ATOM 0 HB2 HIS A 15 1.517 -3.901 8.164 1.00 0.34 H new ATOM 0 HB3 HIS A 15 2.029 -4.030 9.835 1.00 0.34 H new ATOM 0 HD2 HIS A 15 -1.279 -3.497 7.790 1.00 0.62 H new ATOM 0 HE1 HIS A 15 -2.291 -4.189 11.843 1.00 1.03 H new ATOM 0 HE2 HIS A 15 -3.206 -3.934 9.486 1.00 0.83 H new ATOM 211 N THR A 16 4.165 -2.087 9.799 1.00 0.26 N ATOM 212 CA THR A 16 5.603 -2.046 9.682 1.00 0.29 C ATOM 213 C THR A 16 6.093 -3.142 8.731 1.00 0.25 C ATOM 214 O THR A 16 5.616 -4.297 8.788 1.00 0.27 O ATOM 215 CB THR A 16 6.221 -2.274 11.064 1.00 0.38 C ATOM 216 OG1 THR A 16 5.504 -1.482 12.028 1.00 0.49 O ATOM 217 CG2 THR A 16 7.688 -1.853 11.076 1.00 0.47 C ATOM 0 H THR A 16 3.839 -2.208 10.758 1.00 0.26 H new ATOM 0 HA THR A 16 5.900 -1.074 9.287 1.00 0.29 H new ATOM 0 HB THR A 16 6.157 -3.334 11.309 1.00 0.38 H new ATOM 0 HG1 THR A 16 5.890 -1.621 12.918 1.00 0.49 H new ATOM 0 HG21 THR A 16 8.107 -2.024 12.068 1.00 0.47 H new ATOM 0 HG22 THR A 16 8.241 -2.440 10.342 1.00 0.47 H new ATOM 0 HG23 THR A 16 7.765 -0.795 10.827 1.00 0.47 H new ATOM 225 N ALA A 17 7.009 -2.751 7.852 1.00 0.28 N ATOM 226 CA ALA A 17 7.608 -3.632 6.873 1.00 0.30 C ATOM 227 C ALA A 17 8.242 -4.822 7.546 1.00 0.35 C ATOM 228 O ALA A 17 9.000 -4.671 8.504 1.00 0.40 O ATOM 229 CB ALA A 17 8.664 -2.880 6.073 1.00 0.37 C ATOM 0 H ALA A 17 7.358 -1.794 7.804 1.00 0.28 H new ATOM 0 HA ALA A 17 6.823 -3.983 6.203 1.00 0.30 H new ATOM 0 HB1 ALA A 17 9.110 -3.551 5.338 1.00 0.37 H new ATOM 0 HB2 ALA A 17 8.200 -2.037 5.561 1.00 0.37 H new ATOM 0 HB3 ALA A 17 9.438 -2.514 6.747 1.00 0.37 H new ATOM 235 N VAL A 18 7.942 -5.986 7.058 1.00 0.38 N ATOM 236 CA VAL A 18 8.500 -7.176 7.623 1.00 0.48 C ATOM 237 C VAL A 18 9.779 -7.543 6.903 1.00 0.56 C ATOM 238 O VAL A 18 9.876 -7.447 5.661 1.00 0.52 O ATOM 239 CB VAL A 18 7.507 -8.376 7.638 1.00 0.54 C ATOM 240 CG1 VAL A 18 6.336 -8.085 8.559 1.00 0.57 C ATOM 241 CG2 VAL A 18 7.002 -8.699 6.244 1.00 0.52 C ATOM 0 H VAL A 18 7.313 -6.138 6.269 1.00 0.38 H new ATOM 0 HA VAL A 18 8.721 -6.956 8.668 1.00 0.48 H new ATOM 0 HB VAL A 18 8.049 -9.245 8.011 1.00 0.54 H new ATOM 0 HG11 VAL A 18 5.652 -8.934 8.557 1.00 0.57 H new ATOM 0 HG12 VAL A 18 6.703 -7.916 9.572 1.00 0.57 H new ATOM 0 HG13 VAL A 18 5.811 -7.196 8.210 1.00 0.57 H new ATOM 0 HG21 VAL A 18 6.312 -9.541 6.293 1.00 0.52 H new ATOM 0 HG22 VAL A 18 6.487 -7.831 5.834 1.00 0.52 H new ATOM 0 HG23 VAL A 18 7.845 -8.957 5.603 1.00 0.52 H new ATOM 251 N GLU A 19 10.756 -7.901 7.691 1.00 0.72 N ATOM 252 CA GLU A 19 12.065 -8.252 7.227 1.00 0.84 C ATOM 253 C GLU A 19 12.059 -9.636 6.620 1.00 0.84 C ATOM 254 O GLU A 19 11.942 -10.638 7.324 1.00 0.96 O ATOM 255 CB GLU A 19 13.044 -8.185 8.393 1.00 1.06 C ATOM 256 CG GLU A 19 14.443 -8.659 8.069 1.00 1.72 C ATOM 257 CD GLU A 19 15.361 -8.585 9.251 1.00 2.02 C ATOM 258 OE1 GLU A 19 15.071 -9.221 10.277 1.00 2.52 O ATOM 259 OE2 GLU A 19 16.402 -7.902 9.179 1.00 2.38 O ATOM 0 H GLU A 19 10.657 -7.957 8.705 1.00 0.72 H new ATOM 0 HA GLU A 19 12.374 -7.548 6.455 1.00 0.84 H new ATOM 0 HB2 GLU A 19 13.096 -7.156 8.748 1.00 1.06 H new ATOM 0 HB3 GLU A 19 12.652 -8.785 9.214 1.00 1.06 H new ATOM 0 HG2 GLU A 19 14.401 -9.687 7.709 1.00 1.72 H new ATOM 0 HG3 GLU A 19 14.850 -8.054 7.258 1.00 1.72 H new ATOM 266 N MET A 20 12.153 -9.682 5.326 1.00 0.79 N ATOM 267 CA MET A 20 12.210 -10.920 4.585 1.00 0.84 C ATOM 268 C MET A 20 13.189 -10.709 3.446 1.00 0.81 C ATOM 269 O MET A 20 13.991 -9.761 3.504 1.00 0.84 O ATOM 270 CB MET A 20 10.816 -11.311 4.033 1.00 0.88 C ATOM 271 CG MET A 20 9.736 -11.525 5.090 1.00 0.88 C ATOM 272 SD MET A 20 8.186 -12.174 4.412 1.00 0.88 S ATOM 273 CE MET A 20 7.811 -10.959 3.148 1.00 0.58 C ATOM 0 H MET A 20 12.193 -8.849 4.738 1.00 0.79 H new ATOM 0 HA MET A 20 12.531 -11.734 5.235 1.00 0.84 H new ATOM 0 HB2 MET A 20 10.482 -10.532 3.348 1.00 0.88 H new ATOM 0 HB3 MET A 20 10.917 -12.226 3.450 1.00 0.88 H new ATOM 0 HG2 MET A 20 10.110 -12.215 5.847 1.00 0.88 H new ATOM 0 HG3 MET A 20 9.536 -10.578 5.592 1.00 0.88 H new ATOM 0 HE1 MET A 20 6.748 -10.998 2.909 1.00 0.58 H new ATOM 0 HE2 MET A 20 8.064 -9.964 3.513 1.00 0.58 H new ATOM 0 HE3 MET A 20 8.392 -11.175 2.252 1.00 0.58 H new ATOM 283 N HIS A 21 13.164 -11.566 2.436 1.00 0.92 N ATOM 284 CA HIS A 21 14.035 -11.370 1.272 1.00 1.01 C ATOM 285 C HIS A 21 13.581 -10.138 0.519 1.00 0.82 C ATOM 286 O HIS A 21 14.384 -9.289 0.140 1.00 0.95 O ATOM 287 CB HIS A 21 14.059 -12.597 0.358 1.00 1.24 C ATOM 288 CG HIS A 21 14.742 -13.783 0.958 1.00 1.65 C ATOM 289 ND1 HIS A 21 14.074 -14.856 1.492 1.00 2.31 N ATOM 290 CD2 HIS A 21 16.050 -14.063 1.092 1.00 2.19 C ATOM 291 CE1 HIS A 21 14.939 -15.736 1.924 1.00 2.75 C ATOM 292 NE2 HIS A 21 16.147 -15.283 1.694 1.00 2.66 N ATOM 0 H HIS A 21 12.565 -12.390 2.392 1.00 0.92 H new ATOM 0 HA HIS A 21 15.057 -11.229 1.623 1.00 1.01 H new ATOM 0 HB2 HIS A 21 13.035 -12.869 0.104 1.00 1.24 H new ATOM 0 HB3 HIS A 21 14.559 -12.334 -0.574 1.00 1.24 H new ATOM 0 HD2 HIS A 21 16.873 -13.437 0.780 1.00 2.19 H new ATOM 0 HE1 HIS A 21 14.698 -16.679 2.392 1.00 2.75 H new ATOM 0 HE2 HIS A 21 17.016 -15.763 1.927 1.00 2.66 H new ATOM 301 N HIS A 22 12.289 -10.037 0.335 1.00 0.67 N ATOM 302 CA HIS A 22 11.700 -8.850 -0.206 1.00 0.59 C ATOM 303 C HIS A 22 10.901 -8.227 0.907 1.00 0.49 C ATOM 304 O HIS A 22 10.231 -8.944 1.662 1.00 0.57 O ATOM 305 CB HIS A 22 10.843 -9.112 -1.493 1.00 0.76 C ATOM 306 CG HIS A 22 9.634 -10.024 -1.365 1.00 1.13 C ATOM 307 ND1 HIS A 22 9.609 -11.310 -1.848 1.00 1.52 N ATOM 308 CD2 HIS A 22 8.388 -9.797 -0.873 1.00 2.11 C ATOM 309 CE1 HIS A 22 8.416 -11.835 -1.665 1.00 2.06 C ATOM 310 NE2 HIS A 22 7.652 -10.938 -1.075 1.00 2.46 N ATOM 0 H HIS A 22 11.622 -10.776 0.557 1.00 0.67 H new ATOM 0 HA HIS A 22 12.478 -8.170 -0.553 1.00 0.59 H new ATOM 0 HB2 HIS A 22 10.498 -8.148 -1.867 1.00 0.76 H new ATOM 0 HB3 HIS A 22 11.501 -9.532 -2.254 1.00 0.76 H new ATOM 0 HD2 HIS A 22 8.040 -8.886 -0.408 1.00 2.11 H new ATOM 0 HE1 HIS A 22 8.114 -12.832 -1.950 1.00 2.06 H new ATOM 0 HE2 HIS A 22 6.675 -11.070 -0.812 1.00 2.46 H new ATOM 319 N TRP A 23 10.961 -6.935 1.025 1.00 0.41 N ATOM 320 CA TRP A 23 10.326 -6.257 2.132 1.00 0.36 C ATOM 321 C TRP A 23 8.890 -6.080 1.843 1.00 0.32 C ATOM 322 O TRP A 23 8.513 -5.690 0.743 1.00 0.44 O ATOM 323 CB TRP A 23 10.983 -4.915 2.419 1.00 0.43 C ATOM 324 CG TRP A 23 12.386 -5.053 2.885 1.00 0.47 C ATOM 325 CD1 TRP A 23 13.470 -5.288 2.113 1.00 0.52 C ATOM 326 CD2 TRP A 23 12.856 -4.968 4.232 1.00 0.56 C ATOM 327 NE1 TRP A 23 14.591 -5.377 2.887 1.00 0.57 N ATOM 328 CE2 TRP A 23 14.243 -5.177 4.197 1.00 0.60 C ATOM 329 CE3 TRP A 23 12.237 -4.737 5.464 1.00 0.70 C ATOM 330 CZ2 TRP A 23 15.026 -5.165 5.345 1.00 0.73 C ATOM 331 CZ3 TRP A 23 13.015 -4.724 6.603 1.00 0.85 C ATOM 332 CH2 TRP A 23 14.398 -4.934 6.535 1.00 0.86 C ATOM 0 H TRP A 23 11.444 -6.320 0.369 1.00 0.41 H new ATOM 0 HA TRP A 23 10.444 -6.872 3.024 1.00 0.36 H new ATOM 0 HB2 TRP A 23 10.963 -4.304 1.516 1.00 0.43 H new ATOM 0 HB3 TRP A 23 10.403 -4.385 3.175 1.00 0.43 H new ATOM 0 HD1 TRP A 23 13.452 -5.391 1.038 1.00 0.52 H new ATOM 0 HE1 TRP A 23 15.534 -5.562 2.546 1.00 0.57 H new ATOM 0 HE3 TRP A 23 11.171 -4.572 5.523 1.00 0.70 H new ATOM 0 HZ2 TRP A 23 16.092 -5.332 5.298 1.00 0.73 H new ATOM 0 HZ3 TRP A 23 12.550 -4.549 7.562 1.00 0.85 H new ATOM 0 HH2 TRP A 23 14.981 -4.913 7.444 1.00 0.86 H new ATOM 343 N CYS A 24 8.096 -6.392 2.800 1.00 0.27 N ATOM 344 CA CYS A 24 6.693 -6.369 2.624 1.00 0.25 C ATOM 345 C CYS A 24 6.067 -5.405 3.592 1.00 0.23 C ATOM 346 O CYS A 24 6.202 -5.569 4.813 1.00 0.25 O ATOM 347 CB CYS A 24 6.133 -7.781 2.827 1.00 0.28 C ATOM 348 SG CYS A 24 4.352 -7.948 2.540 1.00 0.30 S ATOM 0 H CYS A 24 8.403 -6.672 3.732 1.00 0.27 H new ATOM 0 HA CYS A 24 6.457 -6.037 1.613 1.00 0.25 H new ATOM 0 HB2 CYS A 24 6.659 -8.463 2.159 1.00 0.28 H new ATOM 0 HB3 CYS A 24 6.353 -8.100 3.846 1.00 0.28 H new ATOM 353 N ILE A 25 5.462 -4.372 3.058 1.00 0.20 N ATOM 354 CA ILE A 25 4.688 -3.440 3.839 1.00 0.19 C ATOM 355 C ILE A 25 3.217 -3.814 3.659 1.00 0.18 C ATOM 356 O ILE A 25 2.618 -3.505 2.616 1.00 0.18 O ATOM 357 CB ILE A 25 4.908 -1.964 3.385 1.00 0.21 C ATOM 358 CG1 ILE A 25 6.384 -1.565 3.544 1.00 0.25 C ATOM 359 CG2 ILE A 25 4.006 -1.016 4.183 1.00 0.22 C ATOM 360 CD1 ILE A 25 6.711 -0.151 3.091 1.00 0.30 C ATOM 0 H ILE A 25 5.494 -4.153 2.062 1.00 0.20 H new ATOM 0 HA ILE A 25 5.000 -3.500 4.882 1.00 0.19 H new ATOM 0 HB ILE A 25 4.642 -1.885 2.331 1.00 0.21 H new ATOM 0 HG12 ILE A 25 6.664 -1.670 4.592 1.00 0.25 H new ATOM 0 HG13 ILE A 25 6.999 -2.265 2.978 1.00 0.25 H new ATOM 0 HG21 ILE A 25 4.173 0.009 3.853 1.00 0.22 H new ATOM 0 HG22 ILE A 25 2.962 -1.284 4.020 1.00 0.22 H new ATOM 0 HG23 ILE A 25 4.240 -1.098 5.244 1.00 0.22 H new ATOM 0 HD11 ILE A 25 7.773 0.042 3.240 1.00 0.30 H new ATOM 0 HD12 ILE A 25 6.467 -0.042 2.034 1.00 0.30 H new ATOM 0 HD13 ILE A 25 6.127 0.562 3.674 1.00 0.30 H new ATOM 372 N PRO A 26 2.635 -4.535 4.621 1.00 0.20 N ATOM 373 CA PRO A 26 1.257 -4.984 4.534 1.00 0.21 C ATOM 374 C PRO A 26 0.280 -3.855 4.791 1.00 0.21 C ATOM 375 O PRO A 26 0.348 -3.164 5.833 1.00 0.23 O ATOM 376 CB PRO A 26 1.137 -6.045 5.643 1.00 0.25 C ATOM 377 CG PRO A 26 2.518 -6.224 6.179 1.00 0.28 C ATOM 378 CD PRO A 26 3.255 -4.965 5.873 1.00 0.24 C ATOM 0 HA PRO A 26 1.020 -5.366 3.541 1.00 0.21 H new ATOM 0 HB2 PRO A 26 0.452 -5.718 6.426 1.00 0.25 H new ATOM 0 HB3 PRO A 26 0.745 -6.982 5.248 1.00 0.25 H new ATOM 0 HG2 PRO A 26 2.497 -6.410 7.253 1.00 0.28 H new ATOM 0 HG3 PRO A 26 3.006 -7.082 5.716 1.00 0.28 H new ATOM 0 HD2 PRO A 26 3.135 -4.222 6.662 1.00 0.24 H new ATOM 0 HD3 PRO A 26 4.325 -5.138 5.758 1.00 0.24 H new ATOM 386 N PHE A 27 -0.617 -3.662 3.871 1.00 0.23 N ATOM 387 CA PHE A 27 -1.614 -2.658 4.017 1.00 0.25 C ATOM 388 C PHE A 27 -2.962 -3.297 3.963 1.00 0.25 C ATOM 389 O PHE A 27 -3.137 -4.379 3.386 1.00 0.30 O ATOM 390 CB PHE A 27 -1.510 -1.543 2.948 1.00 0.27 C ATOM 391 CG PHE A 27 -1.847 -1.951 1.536 1.00 0.28 C ATOM 392 CD1 PHE A 27 -3.162 -1.893 1.065 1.00 0.29 C ATOM 393 CD2 PHE A 27 -0.858 -2.380 0.682 1.00 0.32 C ATOM 394 CE1 PHE A 27 -3.463 -2.262 -0.222 1.00 0.34 C ATOM 395 CE2 PHE A 27 -1.159 -2.749 -0.608 1.00 0.36 C ATOM 396 CZ PHE A 27 -2.462 -2.692 -1.060 1.00 0.37 C ATOM 0 H PHE A 27 -0.674 -4.196 3.004 1.00 0.23 H new ATOM 0 HA PHE A 27 -1.457 -2.177 4.982 1.00 0.25 H new ATOM 0 HB2 PHE A 27 -2.171 -0.726 3.237 1.00 0.27 H new ATOM 0 HB3 PHE A 27 -0.494 -1.149 2.959 1.00 0.27 H new ATOM 0 HD1 PHE A 27 -3.950 -1.554 1.721 1.00 0.29 H new ATOM 0 HD2 PHE A 27 0.164 -2.427 1.028 1.00 0.32 H new ATOM 0 HE1 PHE A 27 -4.483 -2.215 -0.575 1.00 0.34 H new ATOM 0 HE2 PHE A 27 -0.374 -3.084 -1.269 1.00 0.36 H new ATOM 0 HZ PHE A 27 -2.695 -2.985 -2.073 1.00 0.37 H new ATOM 406 N SER A 28 -3.884 -2.678 4.572 1.00 0.25 N ATOM 407 CA SER A 28 -5.220 -3.104 4.533 1.00 0.28 C ATOM 408 C SER A 28 -6.113 -1.890 4.429 1.00 0.24 C ATOM 409 O SER A 28 -6.132 -1.040 5.312 1.00 0.27 O ATOM 410 CB SER A 28 -5.543 -3.945 5.763 1.00 0.41 C ATOM 411 OG SER A 28 -4.719 -5.110 5.808 1.00 0.88 O ATOM 0 H SER A 28 -3.730 -1.837 5.128 1.00 0.25 H new ATOM 0 HA SER A 28 -5.390 -3.736 3.662 1.00 0.28 H new ATOM 0 HB2 SER A 28 -5.392 -3.352 6.665 1.00 0.41 H new ATOM 0 HB3 SER A 28 -6.593 -4.237 5.745 1.00 0.41 H new ATOM 0 HG SER A 28 -5.243 -5.892 5.534 1.00 0.88 H new ATOM 417 N VAL A 29 -6.780 -1.777 3.334 1.00 0.23 N ATOM 418 CA VAL A 29 -7.690 -0.701 3.124 1.00 0.21 C ATOM 419 C VAL A 29 -9.104 -1.255 3.127 1.00 0.21 C ATOM 420 O VAL A 29 -9.458 -2.106 2.313 1.00 0.27 O ATOM 421 CB VAL A 29 -7.349 0.139 1.829 1.00 0.22 C ATOM 422 CG1 VAL A 29 -7.138 -0.746 0.622 1.00 0.25 C ATOM 423 CG2 VAL A 29 -8.445 1.156 1.541 1.00 0.26 C ATOM 0 H VAL A 29 -6.711 -2.430 2.554 1.00 0.23 H new ATOM 0 HA VAL A 29 -7.597 0.016 3.940 1.00 0.21 H new ATOM 0 HB VAL A 29 -6.415 0.666 2.027 1.00 0.22 H new ATOM 0 HG11 VAL A 29 -6.906 -0.129 -0.246 1.00 0.25 H new ATOM 0 HG12 VAL A 29 -6.311 -1.430 0.812 1.00 0.25 H new ATOM 0 HG13 VAL A 29 -8.045 -1.319 0.428 1.00 0.25 H new ATOM 0 HG21 VAL A 29 -8.189 1.723 0.646 1.00 0.26 H new ATOM 0 HG22 VAL A 29 -9.391 0.637 1.384 1.00 0.26 H new ATOM 0 HG23 VAL A 29 -8.541 1.837 2.387 1.00 0.26 H new ATOM 433 N ASP A 30 -9.863 -0.828 4.081 1.00 0.27 N ATOM 434 CA ASP A 30 -11.227 -1.298 4.266 1.00 0.35 C ATOM 435 C ASP A 30 -12.161 -0.273 3.724 1.00 0.37 C ATOM 436 O ASP A 30 -11.933 0.914 3.923 1.00 0.48 O ATOM 437 CB ASP A 30 -11.515 -1.534 5.756 1.00 0.51 C ATOM 438 CG ASP A 30 -12.970 -1.893 6.052 1.00 0.80 C ATOM 439 OD1 ASP A 30 -13.805 -0.988 6.238 1.00 1.39 O ATOM 440 OD2 ASP A 30 -13.307 -3.080 6.041 1.00 1.30 O ATOM 0 H ASP A 30 -9.566 -0.136 4.769 1.00 0.27 H new ATOM 0 HA ASP A 30 -11.362 -2.242 3.739 1.00 0.35 H new ATOM 0 HB2 ASP A 30 -10.871 -2.336 6.119 1.00 0.51 H new ATOM 0 HB3 ASP A 30 -11.251 -0.636 6.314 1.00 0.51 H new ATOM 445 N GLY A 31 -13.164 -0.716 3.021 1.00 0.37 N ATOM 446 CA GLY A 31 -14.113 0.168 2.445 1.00 0.42 C ATOM 447 C GLY A 31 -14.900 -0.533 1.389 1.00 0.46 C ATOM 448 O GLY A 31 -14.375 -1.406 0.700 1.00 0.60 O ATOM 0 H GLY A 31 -13.339 -1.704 2.836 1.00 0.37 H new ATOM 0 HA2 GLY A 31 -14.783 0.546 3.217 1.00 0.42 H new ATOM 0 HA3 GLY A 31 -13.603 1.030 2.016 1.00 0.42 H new ATOM 452 N GLN A 32 -16.150 -0.186 1.273 1.00 0.55 N ATOM 453 CA GLN A 32 -17.007 -0.797 0.290 1.00 0.64 C ATOM 454 C GLN A 32 -16.831 -0.085 -1.071 1.00 0.61 C ATOM 455 O GLN A 32 -16.551 -0.758 -2.074 1.00 0.68 O ATOM 456 CB GLN A 32 -18.466 -0.830 0.756 1.00 0.76 C ATOM 457 CG GLN A 32 -19.391 -1.583 -0.170 1.00 0.99 C ATOM 458 CD GLN A 32 -20.820 -1.501 0.274 1.00 1.82 C ATOM 459 OE1 GLN A 32 -21.296 -2.333 1.045 1.00 2.42 O ATOM 460 NE2 GLN A 32 -21.515 -0.511 -0.209 1.00 2.61 N ATOM 0 H GLN A 32 -16.604 0.522 1.850 1.00 0.55 H new ATOM 0 HA GLN A 32 -16.713 -1.839 0.162 1.00 0.64 H new ATOM 0 HB2 GLN A 32 -18.510 -1.285 1.745 1.00 0.76 H new ATOM 0 HB3 GLN A 32 -18.827 0.193 0.859 1.00 0.76 H new ATOM 0 HG2 GLN A 32 -19.301 -1.180 -1.179 1.00 0.99 H new ATOM 0 HG3 GLN A 32 -19.085 -2.628 -0.216 1.00 0.99 H new ATOM 0 HE21 GLN A 32 -21.079 0.156 -0.846 1.00 2.61 H new ATOM 0 HE22 GLN A 32 -22.496 -0.402 0.050 1.00 2.61 H new ATOM 469 N PRO A 33 -17.020 1.286 -1.157 1.00 0.59 N ATOM 470 CA PRO A 33 -16.660 2.020 -2.358 1.00 0.62 C ATOM 471 C PRO A 33 -15.158 1.889 -2.577 1.00 0.53 C ATOM 472 O PRO A 33 -14.364 2.256 -1.704 1.00 0.44 O ATOM 473 CB PRO A 33 -17.034 3.483 -2.038 1.00 0.67 C ATOM 474 CG PRO A 33 -17.147 3.537 -0.561 1.00 0.78 C ATOM 475 CD PRO A 33 -17.628 2.185 -0.154 1.00 0.63 C ATOM 0 HA PRO A 33 -17.161 1.660 -3.257 1.00 0.62 H new ATOM 0 HB2 PRO A 33 -16.272 4.173 -2.401 1.00 0.67 H new ATOM 0 HB3 PRO A 33 -17.972 3.764 -2.516 1.00 0.67 H new ATOM 0 HG2 PRO A 33 -16.186 3.768 -0.101 1.00 0.78 H new ATOM 0 HG3 PRO A 33 -17.845 4.314 -0.248 1.00 0.78 H new ATOM 0 HD2 PRO A 33 -17.308 1.933 0.857 1.00 0.63 H new ATOM 0 HD3 PRO A 33 -18.716 2.125 -0.169 1.00 0.63 H new ATOM 483 N ALA A 34 -14.785 1.347 -3.709 1.00 0.62 N ATOM 484 CA ALA A 34 -13.407 1.046 -4.013 1.00 0.60 C ATOM 485 C ALA A 34 -12.585 2.319 -4.209 1.00 0.52 C ATOM 486 O ALA A 34 -12.789 3.060 -5.180 1.00 0.63 O ATOM 487 CB ALA A 34 -13.336 0.153 -5.237 1.00 0.78 C ATOM 0 H ALA A 34 -15.436 1.099 -4.454 1.00 0.62 H new ATOM 0 HA ALA A 34 -12.974 0.516 -3.165 1.00 0.60 H new ATOM 0 HB1 ALA A 34 -12.294 -0.072 -5.463 1.00 0.78 H new ATOM 0 HB2 ALA A 34 -13.873 -0.775 -5.042 1.00 0.78 H new ATOM 0 HB3 ALA A 34 -13.790 0.663 -6.087 1.00 0.78 H new ATOM 493 N PRO A 35 -11.654 2.599 -3.280 1.00 0.39 N ATOM 494 CA PRO A 35 -10.829 3.795 -3.335 1.00 0.35 C ATOM 495 C PRO A 35 -9.608 3.617 -4.234 1.00 0.41 C ATOM 496 O PRO A 35 -9.220 2.480 -4.581 1.00 0.56 O ATOM 497 CB PRO A 35 -10.380 3.950 -1.880 1.00 0.29 C ATOM 498 CG PRO A 35 -10.263 2.554 -1.379 1.00 0.31 C ATOM 499 CD PRO A 35 -11.346 1.774 -2.080 1.00 0.37 C ATOM 0 HA PRO A 35 -11.366 4.651 -3.743 1.00 0.35 H new ATOM 0 HB2 PRO A 35 -9.429 4.478 -1.812 1.00 0.29 H new ATOM 0 HB3 PRO A 35 -11.104 4.521 -1.299 1.00 0.29 H new ATOM 0 HG2 PRO A 35 -9.279 2.141 -1.599 1.00 0.31 H new ATOM 0 HG3 PRO A 35 -10.391 2.515 -0.297 1.00 0.31 H new ATOM 0 HD2 PRO A 35 -11.006 0.776 -2.357 1.00 0.37 H new ATOM 0 HD3 PRO A 35 -12.223 1.647 -1.445 1.00 0.37 H new ATOM 507 N SER A 36 -9.031 4.718 -4.622 1.00 0.39 N ATOM 508 CA SER A 36 -7.810 4.721 -5.373 1.00 0.44 C ATOM 509 C SER A 36 -6.645 4.869 -4.402 1.00 0.37 C ATOM 510 O SER A 36 -6.673 5.751 -3.524 1.00 0.41 O ATOM 511 CB SER A 36 -7.849 5.865 -6.382 1.00 0.57 C ATOM 512 OG SER A 36 -8.326 7.057 -5.765 1.00 1.37 O ATOM 0 H SER A 36 -9.399 5.648 -4.423 1.00 0.39 H new ATOM 0 HA SER A 36 -7.686 3.789 -5.924 1.00 0.44 H new ATOM 0 HB2 SER A 36 -6.852 6.033 -6.789 1.00 0.57 H new ATOM 0 HB3 SER A 36 -8.494 5.598 -7.219 1.00 0.57 H new ATOM 0 HG SER A 36 -8.065 7.064 -4.820 1.00 1.37 H new ATOM 518 N LEU A 37 -5.655 4.013 -4.520 1.00 0.33 N ATOM 519 CA LEU A 37 -4.533 4.037 -3.614 1.00 0.30 C ATOM 520 C LEU A 37 -3.375 4.775 -4.245 1.00 0.32 C ATOM 521 O LEU A 37 -3.143 4.665 -5.450 1.00 0.50 O ATOM 522 CB LEU A 37 -4.100 2.621 -3.240 1.00 0.32 C ATOM 523 CG LEU A 37 -5.140 1.730 -2.551 1.00 0.32 C ATOM 524 CD1 LEU A 37 -4.548 0.375 -2.283 1.00 0.43 C ATOM 525 CD2 LEU A 37 -5.603 2.343 -1.251 1.00 0.27 C ATOM 0 H LEU A 37 -5.606 3.290 -5.238 1.00 0.33 H new ATOM 0 HA LEU A 37 -4.842 4.554 -2.705 1.00 0.30 H new ATOM 0 HB2 LEU A 37 -3.772 2.117 -4.149 1.00 0.32 H new ATOM 0 HB3 LEU A 37 -3.232 2.695 -2.585 1.00 0.32 H new ATOM 0 HG LEU A 37 -6.000 1.634 -3.214 1.00 0.32 H new ATOM 0 HD11 LEU A 37 -5.290 -0.256 -1.793 1.00 0.43 H new ATOM 0 HD12 LEU A 37 -4.247 -0.083 -3.225 1.00 0.43 H new ATOM 0 HD13 LEU A 37 -3.677 0.480 -1.636 1.00 0.43 H new ATOM 0 HD21 LEU A 37 -6.340 1.690 -0.783 1.00 0.27 H new ATOM 0 HD22 LEU A 37 -4.751 2.465 -0.583 1.00 0.27 H new ATOM 0 HD23 LEU A 37 -6.053 3.316 -1.447 1.00 0.27 H new ATOM 537 N ARG A 38 -2.688 5.544 -3.456 1.00 0.23 N ATOM 538 CA ARG A 38 -1.536 6.291 -3.905 1.00 0.23 C ATOM 539 C ARG A 38 -0.506 6.328 -2.798 1.00 0.22 C ATOM 540 O ARG A 38 -0.852 6.580 -1.644 1.00 0.26 O ATOM 541 CB ARG A 38 -1.960 7.715 -4.280 1.00 0.28 C ATOM 542 CG ARG A 38 -0.827 8.632 -4.718 1.00 0.33 C ATOM 543 CD ARG A 38 -1.345 10.016 -5.080 1.00 1.28 C ATOM 544 NE ARG A 38 -2.084 10.650 -3.967 1.00 1.98 N ATOM 545 CZ ARG A 38 -2.066 11.964 -3.676 1.00 3.10 C ATOM 546 NH1 ARG A 38 -1.325 12.801 -4.385 1.00 3.72 N ATOM 547 NH2 ARG A 38 -2.814 12.436 -2.690 1.00 3.78 N ATOM 0 H ARG A 38 -2.908 5.677 -2.469 1.00 0.23 H new ATOM 0 HA ARG A 38 -1.104 5.811 -4.783 1.00 0.23 H new ATOM 0 HB2 ARG A 38 -2.693 7.659 -5.085 1.00 0.28 H new ATOM 0 HB3 ARG A 38 -2.461 8.166 -3.423 1.00 0.28 H new ATOM 0 HG2 ARG A 38 -0.092 8.714 -3.917 1.00 0.33 H new ATOM 0 HG3 ARG A 38 -0.315 8.197 -5.576 1.00 0.33 H new ATOM 0 HD2 ARG A 38 -0.507 10.652 -5.365 1.00 1.28 H new ATOM 0 HD3 ARG A 38 -1.998 9.941 -5.950 1.00 1.28 H new ATOM 0 HE ARG A 38 -2.651 10.045 -3.374 1.00 1.98 H new ATOM 0 HH11 ARG A 38 -0.761 12.452 -5.160 1.00 3.72 H new ATOM 0 HH12 ARG A 38 -1.318 13.795 -4.157 1.00 3.72 H new ATOM 0 HH21 ARG A 38 -3.405 11.803 -2.150 1.00 3.78 H new ATOM 0 HH22 ARG A 38 -2.799 13.432 -2.471 1.00 3.78 H new ATOM 561 N TRP A 39 0.729 6.067 -3.134 1.00 0.22 N ATOM 562 CA TRP A 39 1.799 6.102 -2.172 1.00 0.22 C ATOM 563 C TRP A 39 2.497 7.436 -2.231 1.00 0.20 C ATOM 564 O TRP A 39 3.051 7.822 -3.270 1.00 0.26 O ATOM 565 CB TRP A 39 2.827 4.995 -2.426 1.00 0.25 C ATOM 566 CG TRP A 39 2.308 3.607 -2.259 1.00 0.25 C ATOM 567 CD1 TRP A 39 1.883 2.774 -3.242 1.00 0.29 C ATOM 568 CD2 TRP A 39 2.174 2.884 -1.029 1.00 0.24 C ATOM 569 NE1 TRP A 39 1.493 1.576 -2.709 1.00 0.29 N ATOM 570 CE2 TRP A 39 1.658 1.617 -1.350 1.00 0.26 C ATOM 571 CE3 TRP A 39 2.440 3.189 0.311 1.00 0.25 C ATOM 572 CZ2 TRP A 39 1.403 0.649 -0.381 1.00 0.26 C ATOM 573 CZ3 TRP A 39 2.188 2.230 1.271 1.00 0.26 C ATOM 574 CH2 TRP A 39 1.674 0.975 0.921 1.00 0.26 C ATOM 0 H TRP A 39 1.022 5.824 -4.080 1.00 0.22 H new ATOM 0 HA TRP A 39 1.358 5.946 -1.187 1.00 0.22 H new ATOM 0 HB2 TRP A 39 3.213 5.103 -3.439 1.00 0.25 H new ATOM 0 HB3 TRP A 39 3.668 5.137 -1.747 1.00 0.25 H new ATOM 0 HD1 TRP A 39 1.856 3.021 -4.293 1.00 0.29 H new ATOM 0 HE1 TRP A 39 1.137 0.780 -3.238 1.00 0.29 H new ATOM 0 HE3 TRP A 39 2.835 4.155 0.588 1.00 0.25 H new ATOM 0 HZ2 TRP A 39 1.007 -0.320 -0.646 1.00 0.26 H new ATOM 0 HZ3 TRP A 39 2.390 2.451 2.309 1.00 0.26 H new ATOM 0 HH2 TRP A 39 1.487 0.247 1.697 1.00 0.26 H new ATOM 585 N LEU A 40 2.446 8.152 -1.161 1.00 0.25 N ATOM 586 CA LEU A 40 3.155 9.377 -1.074 1.00 0.24 C ATOM 587 C LEU A 40 4.406 9.088 -0.281 1.00 0.27 C ATOM 588 O LEU A 40 4.342 8.525 0.813 1.00 0.34 O ATOM 589 CB LEU A 40 2.313 10.449 -0.387 1.00 0.31 C ATOM 590 CG LEU A 40 2.819 11.876 -0.506 1.00 0.49 C ATOM 591 CD1 LEU A 40 2.716 12.333 -1.947 1.00 0.66 C ATOM 592 CD2 LEU A 40 2.039 12.802 0.413 1.00 0.95 C ATOM 0 H LEU A 40 1.914 7.905 -0.327 1.00 0.25 H new ATOM 0 HA LEU A 40 3.396 9.760 -2.066 1.00 0.24 H new ATOM 0 HB2 LEU A 40 1.304 10.408 -0.797 1.00 0.31 H new ATOM 0 HB3 LEU A 40 2.237 10.199 0.671 1.00 0.31 H new ATOM 0 HG LEU A 40 3.864 11.909 -0.199 1.00 0.49 H new ATOM 0 HD11 LEU A 40 3.079 13.357 -2.031 1.00 0.66 H new ATOM 0 HD12 LEU A 40 3.319 11.681 -2.579 1.00 0.66 H new ATOM 0 HD13 LEU A 40 1.676 12.290 -2.269 1.00 0.66 H new ATOM 0 HD21 LEU A 40 2.418 13.819 0.312 1.00 0.95 H new ATOM 0 HD22 LEU A 40 0.984 12.779 0.142 1.00 0.95 H new ATOM 0 HD23 LEU A 40 2.155 12.473 1.445 1.00 0.95 H new ATOM 604 N PHE A 41 5.510 9.444 -0.824 1.00 0.28 N ATOM 605 CA PHE A 41 6.777 9.161 -0.247 1.00 0.35 C ATOM 606 C PHE A 41 7.531 10.456 -0.042 1.00 0.38 C ATOM 607 O PHE A 41 7.932 11.107 -1.011 1.00 0.41 O ATOM 608 CB PHE A 41 7.540 8.216 -1.175 1.00 0.45 C ATOM 609 CG PHE A 41 8.896 7.841 -0.694 1.00 0.58 C ATOM 610 CD1 PHE A 41 10.010 8.475 -1.194 1.00 0.75 C ATOM 611 CD2 PHE A 41 9.057 6.857 0.265 1.00 0.60 C ATOM 612 CE1 PHE A 41 11.258 8.138 -0.752 1.00 0.88 C ATOM 613 CE2 PHE A 41 10.306 6.515 0.709 1.00 0.74 C ATOM 614 CZ PHE A 41 11.402 7.138 0.196 1.00 0.86 C ATOM 0 H PHE A 41 5.563 9.954 -1.706 1.00 0.28 H new ATOM 0 HA PHE A 41 6.660 8.678 0.723 1.00 0.35 H new ATOM 0 HB2 PHE A 41 6.953 7.308 -1.311 1.00 0.45 H new ATOM 0 HB3 PHE A 41 7.633 8.685 -2.154 1.00 0.45 H new ATOM 0 HD1 PHE A 41 9.897 9.246 -1.942 1.00 0.75 H new ATOM 0 HD2 PHE A 41 8.190 6.354 0.667 1.00 0.60 H new ATOM 0 HE1 PHE A 41 12.127 8.648 -1.139 1.00 0.88 H new ATOM 0 HE2 PHE A 41 10.421 5.752 1.465 1.00 0.74 H new ATOM 0 HZ PHE A 41 12.388 6.851 0.529 1.00 0.86 H new ATOM 624 N ASN A 42 7.653 10.859 1.214 1.00 0.46 N ATOM 625 CA ASN A 42 8.364 12.102 1.616 1.00 0.57 C ATOM 626 C ASN A 42 7.756 13.366 0.989 1.00 0.53 C ATOM 627 O ASN A 42 8.385 14.429 0.948 1.00 0.69 O ATOM 628 CB ASN A 42 9.893 12.040 1.324 1.00 0.73 C ATOM 629 CG ASN A 42 10.675 11.101 2.242 1.00 1.12 C ATOM 630 OD1 ASN A 42 10.161 10.086 2.729 1.00 1.79 O ATOM 631 ND2 ASN A 42 11.928 11.426 2.476 1.00 1.72 N ATOM 0 H ASN A 42 7.265 10.341 2.002 1.00 0.46 H new ATOM 0 HA ASN A 42 8.230 12.168 2.696 1.00 0.57 H new ATOM 0 HB2 ASN A 42 10.040 11.724 0.291 1.00 0.73 H new ATOM 0 HB3 ASN A 42 10.308 13.044 1.413 1.00 0.73 H new ATOM 0 HD21 ASN A 42 12.505 10.835 3.074 1.00 1.72 H new ATOM 0 HD22 ASN A 42 12.322 12.269 2.060 1.00 1.72 H new ATOM 638 N GLY A 43 6.533 13.257 0.507 1.00 0.45 N ATOM 639 CA GLY A 43 5.868 14.389 -0.097 1.00 0.51 C ATOM 640 C GLY A 43 5.768 14.272 -1.604 1.00 0.47 C ATOM 641 O GLY A 43 5.039 15.028 -2.242 1.00 0.61 O ATOM 0 H GLY A 43 5.983 12.398 0.523 1.00 0.45 H new ATOM 0 HA2 GLY A 43 4.867 14.484 0.323 1.00 0.51 H new ATOM 0 HA3 GLY A 43 6.408 15.301 0.158 1.00 0.51 H new ATOM 645 N SER A 44 6.483 13.337 -2.162 1.00 0.38 N ATOM 646 CA SER A 44 6.480 13.095 -3.586 1.00 0.40 C ATOM 647 C SER A 44 5.754 11.801 -3.859 1.00 0.33 C ATOM 648 O SER A 44 5.687 10.929 -3.004 1.00 0.28 O ATOM 649 CB SER A 44 7.924 13.035 -4.065 1.00 0.51 C ATOM 650 OG SER A 44 8.608 14.237 -3.712 1.00 1.37 O ATOM 0 H SER A 44 7.094 12.710 -1.638 1.00 0.38 H new ATOM 0 HA SER A 44 5.967 13.893 -4.122 1.00 0.40 H new ATOM 0 HB2 SER A 44 8.428 12.177 -3.620 1.00 0.51 H new ATOM 0 HB3 SER A 44 7.951 12.896 -5.146 1.00 0.51 H new ATOM 0 HG SER A 44 9.536 14.188 -4.023 1.00 1.37 H new ATOM 656 N VAL A 45 5.174 11.699 -5.012 1.00 0.41 N ATOM 657 CA VAL A 45 4.421 10.531 -5.371 1.00 0.41 C ATOM 658 C VAL A 45 5.361 9.397 -5.727 1.00 0.39 C ATOM 659 O VAL A 45 6.230 9.547 -6.591 1.00 0.45 O ATOM 660 CB VAL A 45 3.446 10.807 -6.542 1.00 0.55 C ATOM 661 CG1 VAL A 45 2.723 9.549 -6.944 1.00 0.68 C ATOM 662 CG2 VAL A 45 2.439 11.853 -6.152 1.00 0.70 C ATOM 0 H VAL A 45 5.206 12.420 -5.733 1.00 0.41 H new ATOM 0 HA VAL A 45 3.820 10.247 -4.507 1.00 0.41 H new ATOM 0 HB VAL A 45 4.033 11.166 -7.387 1.00 0.55 H new ATOM 0 HG11 VAL A 45 2.044 9.767 -7.768 1.00 0.68 H new ATOM 0 HG12 VAL A 45 3.447 8.798 -7.260 1.00 0.68 H new ATOM 0 HG13 VAL A 45 2.154 9.170 -6.095 1.00 0.68 H new ATOM 0 HG21 VAL A 45 1.762 12.035 -6.986 1.00 0.70 H new ATOM 0 HG22 VAL A 45 1.869 11.506 -5.291 1.00 0.70 H new ATOM 0 HG23 VAL A 45 2.956 12.778 -5.896 1.00 0.70 H new ATOM 672 N LEU A 46 5.206 8.292 -5.044 1.00 0.37 N ATOM 673 CA LEU A 46 6.018 7.127 -5.285 1.00 0.40 C ATOM 674 C LEU A 46 5.452 6.347 -6.458 1.00 0.44 C ATOM 675 O LEU A 46 4.331 5.820 -6.393 1.00 0.51 O ATOM 676 CB LEU A 46 6.074 6.239 -4.034 1.00 0.44 C ATOM 677 CG LEU A 46 6.896 4.946 -4.144 1.00 0.51 C ATOM 678 CD1 LEU A 46 8.367 5.249 -4.392 1.00 0.57 C ATOM 679 CD2 LEU A 46 6.725 4.098 -2.893 1.00 0.61 C ATOM 0 H LEU A 46 4.513 8.174 -4.305 1.00 0.37 H new ATOM 0 HA LEU A 46 7.033 7.447 -5.521 1.00 0.40 H new ATOM 0 HB2 LEU A 46 6.479 6.831 -3.214 1.00 0.44 H new ATOM 0 HB3 LEU A 46 5.053 5.972 -3.760 1.00 0.44 H new ATOM 0 HG LEU A 46 6.523 4.381 -4.999 1.00 0.51 H new ATOM 0 HD11 LEU A 46 8.924 4.315 -4.465 1.00 0.57 H new ATOM 0 HD12 LEU A 46 8.472 5.808 -5.322 1.00 0.57 H new ATOM 0 HD13 LEU A 46 8.761 5.842 -3.566 1.00 0.57 H new ATOM 0 HD21 LEU A 46 7.314 3.186 -2.988 1.00 0.61 H new ATOM 0 HD22 LEU A 46 7.065 4.660 -2.023 1.00 0.61 H new ATOM 0 HD23 LEU A 46 5.673 3.839 -2.770 1.00 0.61 H new ATOM 691 N ASN A 47 6.194 6.308 -7.528 1.00 0.54 N ATOM 692 CA ASN A 47 5.781 5.567 -8.693 1.00 0.59 C ATOM 693 C ASN A 47 6.196 4.113 -8.539 1.00 0.53 C ATOM 694 O ASN A 47 7.272 3.809 -7.993 1.00 0.64 O ATOM 695 CB ASN A 47 6.345 6.171 -10.005 1.00 0.79 C ATOM 696 CG ASN A 47 7.863 6.274 -10.050 1.00 1.54 C ATOM 697 OD1 ASN A 47 8.560 5.340 -10.452 1.00 2.47 O ATOM 698 ND2 ASN A 47 8.386 7.420 -9.686 1.00 1.94 N ATOM 0 H ASN A 47 7.092 6.782 -7.621 1.00 0.54 H new ATOM 0 HA ASN A 47 4.695 5.629 -8.768 1.00 0.59 H new ATOM 0 HB2 ASN A 47 6.010 5.562 -10.844 1.00 0.79 H new ATOM 0 HB3 ASN A 47 5.922 7.166 -10.144 1.00 0.79 H new ATOM 0 HD21 ASN A 47 9.396 7.557 -9.731 1.00 1.94 H new ATOM 0 HD22 ASN A 47 7.783 8.174 -9.358 1.00 1.94 H new ATOM 705 N GLU A 48 5.334 3.226 -8.969 1.00 0.49 N ATOM 706 CA GLU A 48 5.583 1.804 -8.879 1.00 0.53 C ATOM 707 C GLU A 48 6.480 1.360 -10.016 1.00 0.53 C ATOM 708 O GLU A 48 6.293 1.776 -11.167 1.00 0.70 O ATOM 709 CB GLU A 48 4.276 1.029 -8.906 1.00 0.69 C ATOM 710 CG GLU A 48 3.346 1.347 -7.756 1.00 0.74 C ATOM 711 CD GLU A 48 2.044 0.616 -7.869 1.00 1.12 C ATOM 712 OE1 GLU A 48 1.073 1.187 -8.377 1.00 1.56 O ATOM 713 OE2 GLU A 48 1.971 -0.562 -7.464 1.00 1.74 O ATOM 0 H GLU A 48 4.438 3.467 -9.392 1.00 0.49 H new ATOM 0 HA GLU A 48 6.084 1.599 -7.933 1.00 0.53 H new ATOM 0 HB2 GLU A 48 3.761 1.238 -9.844 1.00 0.69 H new ATOM 0 HB3 GLU A 48 4.498 -0.038 -8.895 1.00 0.69 H new ATOM 0 HG2 GLU A 48 3.829 1.083 -6.815 1.00 0.74 H new ATOM 0 HG3 GLU A 48 3.158 2.420 -7.728 1.00 0.74 H new ATOM 720 N THR A 49 7.420 0.524 -9.702 1.00 0.53 N ATOM 721 CA THR A 49 8.400 0.039 -10.632 1.00 0.58 C ATOM 722 C THR A 49 8.431 -1.493 -10.612 1.00 0.60 C ATOM 723 O THR A 49 7.511 -2.124 -10.073 1.00 0.65 O ATOM 724 CB THR A 49 9.792 0.580 -10.253 1.00 0.71 C ATOM 725 OG1 THR A 49 10.038 0.324 -8.853 1.00 1.57 O ATOM 726 CG2 THR A 49 9.906 2.069 -10.535 1.00 0.98 C ATOM 0 H THR A 49 7.533 0.146 -8.761 1.00 0.53 H new ATOM 0 HA THR A 49 8.134 0.382 -11.632 1.00 0.58 H new ATOM 0 HB THR A 49 10.537 0.069 -10.862 1.00 0.71 H new ATOM 0 HG1 THR A 49 10.924 0.665 -8.609 1.00 1.57 H new ATOM 0 HG21 THR A 49 10.900 2.417 -10.256 1.00 0.98 H new ATOM 0 HG22 THR A 49 9.742 2.252 -11.597 1.00 0.98 H new ATOM 0 HG23 THR A 49 9.157 2.608 -9.955 1.00 0.98 H new ATOM 734 N SER A 50 9.451 -2.085 -11.185 1.00 0.68 N ATOM 735 CA SER A 50 9.596 -3.516 -11.185 1.00 0.78 C ATOM 736 C SER A 50 10.062 -4.014 -9.798 1.00 0.72 C ATOM 737 O SER A 50 9.701 -5.119 -9.360 1.00 0.86 O ATOM 738 CB SER A 50 10.602 -3.886 -12.256 1.00 0.96 C ATOM 739 OG SER A 50 10.283 -3.213 -13.470 1.00 1.52 O ATOM 0 H SER A 50 10.202 -1.587 -11.663 1.00 0.68 H new ATOM 0 HA SER A 50 8.638 -3.991 -11.396 1.00 0.78 H new ATOM 0 HB2 SER A 50 11.607 -3.616 -11.933 1.00 0.96 H new ATOM 0 HB3 SER A 50 10.598 -4.964 -12.415 1.00 0.96 H new ATOM 0 HG SER A 50 10.937 -3.454 -14.159 1.00 1.52 H new ATOM 745 N PHE A 51 10.848 -3.191 -9.104 1.00 0.64 N ATOM 746 CA PHE A 51 11.347 -3.569 -7.792 1.00 0.68 C ATOM 747 C PHE A 51 10.409 -3.143 -6.682 1.00 0.55 C ATOM 748 O PHE A 51 10.382 -3.767 -5.630 1.00 0.61 O ATOM 749 CB PHE A 51 12.761 -3.034 -7.516 1.00 0.87 C ATOM 750 CG PHE A 51 13.846 -3.651 -8.358 1.00 1.08 C ATOM 751 CD1 PHE A 51 13.999 -5.027 -8.412 1.00 1.39 C ATOM 752 CD2 PHE A 51 14.731 -2.860 -9.070 1.00 1.16 C ATOM 753 CE1 PHE A 51 15.002 -5.598 -9.159 1.00 1.59 C ATOM 754 CE2 PHE A 51 15.738 -3.427 -9.823 1.00 1.37 C ATOM 755 CZ PHE A 51 15.872 -4.798 -9.867 1.00 1.52 C ATOM 0 H PHE A 51 11.147 -2.271 -9.427 1.00 0.64 H new ATOM 0 HA PHE A 51 11.399 -4.658 -7.804 1.00 0.68 H new ATOM 0 HB2 PHE A 51 12.764 -1.956 -7.678 1.00 0.87 H new ATOM 0 HB3 PHE A 51 12.998 -3.200 -6.465 1.00 0.87 H new ATOM 0 HD1 PHE A 51 13.321 -5.660 -7.859 1.00 1.39 H new ATOM 0 HD2 PHE A 51 14.632 -1.785 -9.036 1.00 1.16 H new ATOM 0 HE1 PHE A 51 15.108 -6.672 -9.191 1.00 1.59 H new ATOM 0 HE2 PHE A 51 16.420 -2.798 -10.377 1.00 1.37 H new ATOM 0 HZ PHE A 51 16.659 -5.245 -10.456 1.00 1.52 H new ATOM 765 N ILE A 52 9.665 -2.082 -6.899 1.00 0.46 N ATOM 766 CA ILE A 52 8.749 -1.588 -5.889 1.00 0.39 C ATOM 767 C ILE A 52 7.368 -1.485 -6.484 1.00 0.37 C ATOM 768 O ILE A 52 7.114 -0.598 -7.286 1.00 0.43 O ATOM 769 CB ILE A 52 9.154 -0.173 -5.394 1.00 0.41 C ATOM 770 CG1 ILE A 52 10.616 -0.142 -4.925 1.00 0.46 C ATOM 771 CG2 ILE A 52 8.213 0.289 -4.272 1.00 0.41 C ATOM 772 CD1 ILE A 52 11.095 1.235 -4.530 1.00 0.50 C ATOM 0 H ILE A 52 9.674 -1.543 -7.765 1.00 0.46 H new ATOM 0 HA ILE A 52 8.775 -2.283 -5.049 1.00 0.39 H new ATOM 0 HB ILE A 52 9.062 0.517 -6.233 1.00 0.41 H new ATOM 0 HG12 ILE A 52 10.731 -0.815 -4.075 1.00 0.46 H new ATOM 0 HG13 ILE A 52 11.253 -0.524 -5.723 1.00 0.46 H new ATOM 0 HG21 ILE A 52 8.509 1.282 -3.935 1.00 0.41 H new ATOM 0 HG22 ILE A 52 7.190 0.323 -4.646 1.00 0.41 H new ATOM 0 HG23 ILE A 52 8.271 -0.410 -3.437 1.00 0.41 H new ATOM 0 HD11 ILE A 52 12.135 1.180 -4.210 1.00 0.50 H new ATOM 0 HD12 ILE A 52 11.013 1.908 -5.384 1.00 0.50 H new ATOM 0 HD13 ILE A 52 10.483 1.612 -3.711 1.00 0.50 H new ATOM 784 N PHE A 53 6.488 -2.371 -6.118 1.00 0.33 N ATOM 785 CA PHE A 53 5.134 -2.315 -6.621 1.00 0.37 C ATOM 786 C PHE A 53 4.159 -2.788 -5.571 1.00 0.31 C ATOM 787 O PHE A 53 4.532 -3.522 -4.634 1.00 0.29 O ATOM 788 CB PHE A 53 4.966 -3.099 -7.948 1.00 0.48 C ATOM 789 CG PHE A 53 5.236 -4.583 -7.890 1.00 1.06 C ATOM 790 CD1 PHE A 53 6.523 -5.076 -8.049 1.00 1.95 C ATOM 791 CD2 PHE A 53 4.209 -5.477 -7.650 1.00 1.15 C ATOM 792 CE1 PHE A 53 6.776 -6.430 -7.969 1.00 2.87 C ATOM 793 CE2 PHE A 53 4.457 -6.829 -7.575 1.00 2.02 C ATOM 794 CZ PHE A 53 5.723 -7.314 -7.832 1.00 2.89 C ATOM 0 H PHE A 53 6.676 -3.141 -5.476 1.00 0.33 H new ATOM 0 HA PHE A 53 4.913 -1.272 -6.849 1.00 0.37 H new ATOM 0 HB2 PHE A 53 3.947 -2.951 -8.306 1.00 0.48 H new ATOM 0 HB3 PHE A 53 5.632 -2.660 -8.691 1.00 0.48 H new ATOM 0 HD1 PHE A 53 7.337 -4.392 -8.238 1.00 1.95 H new ATOM 0 HD2 PHE A 53 3.201 -5.111 -7.520 1.00 1.15 H new ATOM 0 HE1 PHE A 53 7.791 -6.797 -8.013 1.00 2.87 H new ATOM 0 HE2 PHE A 53 3.660 -7.510 -7.315 1.00 2.02 H new ATOM 0 HZ PHE A 53 5.890 -8.377 -7.925 1.00 2.89 H new ATOM 804 N THR A 54 2.940 -2.349 -5.702 1.00 0.35 N ATOM 805 CA THR A 54 1.899 -2.685 -4.786 1.00 0.35 C ATOM 806 C THR A 54 1.294 -4.012 -5.204 1.00 0.35 C ATOM 807 O THR A 54 0.624 -4.102 -6.241 1.00 0.40 O ATOM 808 CB THR A 54 0.804 -1.605 -4.816 1.00 0.39 C ATOM 809 OG1 THR A 54 1.416 -0.311 -4.802 1.00 0.43 O ATOM 810 CG2 THR A 54 -0.095 -1.732 -3.617 1.00 0.44 C ATOM 0 H THR A 54 2.641 -1.738 -6.462 1.00 0.35 H new ATOM 0 HA THR A 54 2.309 -2.753 -3.778 1.00 0.35 H new ATOM 0 HB THR A 54 0.211 -1.734 -5.721 1.00 0.39 H new ATOM 0 HG1 THR A 54 1.831 -0.136 -5.672 1.00 0.43 H new ATOM 0 HG21 THR A 54 -0.863 -0.960 -3.655 1.00 0.44 H new ATOM 0 HG22 THR A 54 -0.567 -2.714 -3.619 1.00 0.44 H new ATOM 0 HG23 THR A 54 0.493 -1.614 -2.707 1.00 0.44 H new ATOM 818 N GLU A 55 1.538 -5.025 -4.430 1.00 0.36 N ATOM 819 CA GLU A 55 1.035 -6.325 -4.714 1.00 0.42 C ATOM 820 C GLU A 55 -0.222 -6.536 -3.905 1.00 0.44 C ATOM 821 O GLU A 55 -0.182 -6.623 -2.677 1.00 0.57 O ATOM 822 CB GLU A 55 2.081 -7.393 -4.380 1.00 0.60 C ATOM 823 CG GLU A 55 1.657 -8.805 -4.748 1.00 1.21 C ATOM 824 CD GLU A 55 2.698 -9.840 -4.405 1.00 1.38 C ATOM 825 OE1 GLU A 55 3.670 -9.982 -5.151 1.00 1.67 O ATOM 826 OE2 GLU A 55 2.544 -10.555 -3.393 1.00 2.04 O ATOM 0 H GLU A 55 2.096 -4.968 -3.578 1.00 0.36 H new ATOM 0 HA GLU A 55 0.808 -6.411 -5.777 1.00 0.42 H new ATOM 0 HB2 GLU A 55 3.008 -7.155 -4.901 1.00 0.60 H new ATOM 0 HB3 GLU A 55 2.297 -7.355 -3.312 1.00 0.60 H new ATOM 0 HG2 GLU A 55 0.728 -9.046 -4.231 1.00 1.21 H new ATOM 0 HG3 GLU A 55 1.447 -8.849 -5.817 1.00 1.21 H new ATOM 833 N PHE A 56 -1.329 -6.545 -4.574 1.00 0.52 N ATOM 834 CA PHE A 56 -2.595 -6.788 -3.937 1.00 0.62 C ATOM 835 C PHE A 56 -2.818 -8.274 -3.868 1.00 0.73 C ATOM 836 O PHE A 56 -2.388 -9.009 -4.766 1.00 0.87 O ATOM 837 CB PHE A 56 -3.738 -6.162 -4.742 1.00 0.68 C ATOM 838 CG PHE A 56 -3.713 -4.667 -4.848 1.00 0.63 C ATOM 839 CD1 PHE A 56 -4.536 -3.900 -4.051 1.00 0.69 C ATOM 840 CD2 PHE A 56 -2.883 -4.030 -5.756 1.00 0.61 C ATOM 841 CE1 PHE A 56 -4.537 -2.531 -4.154 1.00 0.69 C ATOM 842 CE2 PHE A 56 -2.875 -2.656 -5.861 1.00 0.59 C ATOM 843 CZ PHE A 56 -3.704 -1.904 -5.060 1.00 0.61 C ATOM 0 H PHE A 56 -1.388 -6.384 -5.580 1.00 0.52 H new ATOM 0 HA PHE A 56 -2.580 -6.345 -2.941 1.00 0.62 H new ATOM 0 HB2 PHE A 56 -3.721 -6.580 -5.749 1.00 0.68 H new ATOM 0 HB3 PHE A 56 -4.683 -6.460 -4.289 1.00 0.68 H new ATOM 0 HD1 PHE A 56 -5.188 -4.382 -3.337 1.00 0.69 H new ATOM 0 HD2 PHE A 56 -2.234 -4.617 -6.389 1.00 0.61 H new ATOM 0 HE1 PHE A 56 -5.190 -1.943 -3.526 1.00 0.69 H new ATOM 0 HE2 PHE A 56 -2.220 -2.171 -6.570 1.00 0.59 H new ATOM 0 HZ PHE A 56 -3.703 -0.827 -5.140 1.00 0.61 H new ATOM 853 N LEU A 57 -3.448 -8.723 -2.832 1.00 0.77 N ATOM 854 CA LEU A 57 -3.799 -10.103 -2.737 1.00 0.93 C ATOM 855 C LEU A 57 -5.294 -10.172 -2.891 1.00 1.04 C ATOM 856 O LEU A 57 -5.982 -9.160 -2.703 1.00 1.04 O ATOM 857 CB LEU A 57 -3.274 -10.745 -1.407 1.00 1.01 C ATOM 858 CG LEU A 57 -3.854 -10.280 -0.055 1.00 0.99 C ATOM 859 CD1 LEU A 57 -5.192 -10.957 0.242 1.00 1.25 C ATOM 860 CD2 LEU A 57 -2.860 -10.546 1.065 1.00 1.16 C ATOM 0 H LEU A 57 -3.731 -8.152 -2.036 1.00 0.77 H new ATOM 0 HA LEU A 57 -3.323 -10.693 -3.521 1.00 0.93 H new ATOM 0 HB2 LEU A 57 -3.435 -11.821 -1.478 1.00 1.01 H new ATOM 0 HB3 LEU A 57 -2.196 -10.586 -1.371 1.00 1.01 H new ATOM 0 HG LEU A 57 -4.034 -9.207 -0.119 1.00 0.99 H new ATOM 0 HD11 LEU A 57 -5.572 -10.607 1.202 1.00 1.25 H new ATOM 0 HD12 LEU A 57 -5.907 -10.710 -0.543 1.00 1.25 H new ATOM 0 HD13 LEU A 57 -5.053 -12.037 0.280 1.00 1.25 H new ATOM 0 HD21 LEU A 57 -3.282 -10.213 2.013 1.00 1.16 H new ATOM 0 HD22 LEU A 57 -2.648 -11.614 1.117 1.00 1.16 H new ATOM 0 HD23 LEU A 57 -1.936 -10.002 0.868 1.00 1.16 H new ATOM 872 N GLU A 58 -5.783 -11.306 -3.273 1.00 1.18 N ATOM 873 CA GLU A 58 -7.197 -11.508 -3.507 1.00 1.31 C ATOM 874 C GLU A 58 -7.944 -11.579 -2.180 1.00 1.24 C ATOM 875 O GLU A 58 -7.789 -12.547 -1.435 1.00 1.32 O ATOM 876 CB GLU A 58 -7.367 -12.775 -4.312 1.00 1.61 C ATOM 877 CG GLU A 58 -6.780 -12.649 -5.709 1.00 2.01 C ATOM 878 CD GLU A 58 -6.584 -13.962 -6.386 1.00 2.65 C ATOM 879 OE1 GLU A 58 -5.502 -14.561 -6.253 1.00 3.36 O ATOM 880 OE2 GLU A 58 -7.529 -14.438 -7.055 1.00 2.90 O ATOM 0 H GLU A 58 -5.214 -12.137 -3.437 1.00 1.18 H new ATOM 0 HA GLU A 58 -7.617 -10.672 -4.067 1.00 1.31 H new ATOM 0 HB2 GLU A 58 -6.886 -13.602 -3.791 1.00 1.61 H new ATOM 0 HB3 GLU A 58 -8.427 -13.018 -4.385 1.00 1.61 H new ATOM 0 HG2 GLU A 58 -7.438 -12.029 -6.318 1.00 2.01 H new ATOM 0 HG3 GLU A 58 -5.822 -12.133 -5.648 1.00 2.01 H new ATOM 887 N PRO A 59 -8.743 -10.545 -1.846 1.00 1.21 N ATOM 888 CA PRO A 59 -9.426 -10.472 -0.569 1.00 1.25 C ATOM 889 C PRO A 59 -10.647 -11.367 -0.535 1.00 1.26 C ATOM 890 O PRO A 59 -11.393 -11.472 -1.524 1.00 1.35 O ATOM 891 CB PRO A 59 -9.856 -8.994 -0.454 1.00 1.37 C ATOM 892 CG PRO A 59 -9.336 -8.311 -1.680 1.00 1.39 C ATOM 893 CD PRO A 59 -9.075 -9.387 -2.689 1.00 1.30 C ATOM 0 HA PRO A 59 -8.785 -10.802 0.249 1.00 1.25 H new ATOM 0 HB2 PRO A 59 -10.941 -8.908 -0.391 1.00 1.37 H new ATOM 0 HB3 PRO A 59 -9.447 -8.539 0.448 1.00 1.37 H new ATOM 0 HG2 PRO A 59 -10.061 -7.591 -2.060 1.00 1.39 H new ATOM 0 HG3 PRO A 59 -8.423 -7.758 -1.458 1.00 1.39 H new ATOM 0 HD2 PRO A 59 -9.948 -9.577 -3.313 1.00 1.30 H new ATOM 0 HD3 PRO A 59 -8.256 -9.125 -3.358 1.00 1.30 H new ATOM 901 N ALA A 60 -10.854 -11.994 0.591 1.00 1.29 N ATOM 902 CA ALA A 60 -11.980 -12.856 0.799 1.00 1.40 C ATOM 903 C ALA A 60 -13.224 -12.007 0.802 1.00 1.40 C ATOM 904 O ALA A 60 -13.259 -10.955 1.435 1.00 1.33 O ATOM 905 CB ALA A 60 -11.833 -13.586 2.123 1.00 1.53 C ATOM 0 H ALA A 60 -10.236 -11.918 1.399 1.00 1.29 H new ATOM 0 HA ALA A 60 -12.041 -13.601 0.006 1.00 1.40 H new ATOM 0 HB1 ALA A 60 -12.692 -14.240 2.275 1.00 1.53 H new ATOM 0 HB2 ALA A 60 -10.921 -14.183 2.110 1.00 1.53 H new ATOM 0 HB3 ALA A 60 -11.781 -12.860 2.935 1.00 1.53 H new ATOM 911 N ALA A 61 -14.237 -12.470 0.095 1.00 1.55 N ATOM 912 CA ALA A 61 -15.473 -11.723 -0.123 1.00 1.65 C ATOM 913 C ALA A 61 -16.232 -11.450 1.165 1.00 1.59 C ATOM 914 O ALA A 61 -17.093 -10.582 1.210 1.00 1.70 O ATOM 915 CB ALA A 61 -16.362 -12.459 -1.105 1.00 1.91 C ATOM 0 H ALA A 61 -14.230 -13.387 -0.352 1.00 1.55 H new ATOM 0 HA ALA A 61 -15.189 -10.755 -0.536 1.00 1.65 H new ATOM 0 HB1 ALA A 61 -17.280 -11.893 -1.260 1.00 1.91 H new ATOM 0 HB2 ALA A 61 -15.840 -12.570 -2.055 1.00 1.91 H new ATOM 0 HB3 ALA A 61 -16.606 -13.444 -0.707 1.00 1.91 H new ATOM 921 N ASN A 62 -15.915 -12.199 2.196 1.00 1.52 N ATOM 922 CA ASN A 62 -16.551 -12.020 3.491 1.00 1.56 C ATOM 923 C ASN A 62 -16.033 -10.755 4.170 1.00 1.33 C ATOM 924 O ASN A 62 -16.717 -10.167 5.016 1.00 1.40 O ATOM 925 CB ASN A 62 -16.323 -13.236 4.402 1.00 1.82 C ATOM 926 CG ASN A 62 -16.925 -14.526 3.864 1.00 2.72 C ATOM 927 OD1 ASN A 62 -17.926 -14.516 3.145 1.00 3.49 O ATOM 928 ND2 ASN A 62 -16.322 -15.641 4.201 1.00 3.19 N ATOM 0 H ASN A 62 -15.218 -12.943 2.167 1.00 1.52 H new ATOM 0 HA ASN A 62 -17.623 -11.921 3.321 1.00 1.56 H new ATOM 0 HB2 ASN A 62 -15.251 -13.377 4.543 1.00 1.82 H new ATOM 0 HB3 ASN A 62 -16.749 -13.028 5.383 1.00 1.82 H new ATOM 0 HD21 ASN A 62 -16.680 -16.536 3.866 1.00 3.19 H new ATOM 0 HD22 ASN A 62 -15.495 -15.613 4.798 1.00 3.19 H new ATOM 935 N GLU A 63 -14.844 -10.324 3.775 1.00 1.20 N ATOM 936 CA GLU A 63 -14.208 -9.143 4.333 1.00 1.07 C ATOM 937 C GLU A 63 -14.474 -7.949 3.431 1.00 0.90 C ATOM 938 O GLU A 63 -14.666 -8.104 2.232 1.00 0.97 O ATOM 939 CB GLU A 63 -12.683 -9.335 4.416 1.00 1.16 C ATOM 940 CG GLU A 63 -12.208 -10.455 5.320 1.00 1.31 C ATOM 941 CD GLU A 63 -10.694 -10.566 5.333 1.00 1.42 C ATOM 942 OE1 GLU A 63 -10.020 -9.791 6.067 1.00 1.48 O ATOM 943 OE2 GLU A 63 -10.139 -11.426 4.621 1.00 1.89 O ATOM 0 H GLU A 63 -14.291 -10.788 3.054 1.00 1.20 H new ATOM 0 HA GLU A 63 -14.616 -8.979 5.330 1.00 1.07 H new ATOM 0 HB2 GLU A 63 -12.304 -9.519 3.411 1.00 1.16 H new ATOM 0 HB3 GLU A 63 -12.236 -8.402 4.759 1.00 1.16 H new ATOM 0 HG2 GLU A 63 -12.568 -10.281 6.334 1.00 1.31 H new ATOM 0 HG3 GLU A 63 -12.639 -11.399 4.986 1.00 1.31 H new ATOM 950 N THR A 64 -14.482 -6.773 4.012 1.00 0.80 N ATOM 951 CA THR A 64 -14.621 -5.542 3.253 1.00 0.74 C ATOM 952 C THR A 64 -13.226 -4.905 3.146 1.00 0.59 C ATOM 953 O THR A 64 -13.059 -3.750 2.733 1.00 0.61 O ATOM 954 CB THR A 64 -15.526 -4.561 4.016 1.00 0.90 C ATOM 955 OG1 THR A 64 -16.511 -5.298 4.776 1.00 1.30 O ATOM 956 CG2 THR A 64 -16.253 -3.632 3.053 1.00 1.15 C ATOM 0 H THR A 64 -14.393 -6.637 5.019 1.00 0.80 H new ATOM 0 HA THR A 64 -15.049 -5.754 2.273 1.00 0.74 H new ATOM 0 HB THR A 64 -14.898 -3.968 4.681 1.00 0.90 H new ATOM 0 HG1 THR A 64 -17.085 -4.670 5.263 1.00 1.30 H new ATOM 0 HG21 THR A 64 -16.887 -2.947 3.617 1.00 1.15 H new ATOM 0 HG22 THR A 64 -15.524 -3.061 2.478 1.00 1.15 H new ATOM 0 HG23 THR A 64 -16.869 -4.222 2.374 1.00 1.15 H new ATOM 964 N VAL A 65 -12.229 -5.678 3.528 1.00 0.53 N ATOM 965 CA VAL A 65 -10.890 -5.184 3.616 1.00 0.45 C ATOM 966 C VAL A 65 -10.061 -5.685 2.457 1.00 0.42 C ATOM 967 O VAL A 65 -9.991 -6.889 2.201 1.00 0.49 O ATOM 968 CB VAL A 65 -10.191 -5.622 4.923 1.00 0.52 C ATOM 969 CG1 VAL A 65 -8.909 -4.855 5.114 1.00 0.50 C ATOM 970 CG2 VAL A 65 -11.093 -5.481 6.132 1.00 0.61 C ATOM 0 H VAL A 65 -12.334 -6.660 3.783 1.00 0.53 H new ATOM 0 HA VAL A 65 -10.963 -4.097 3.597 1.00 0.45 H new ATOM 0 HB VAL A 65 -9.956 -6.682 4.828 1.00 0.52 H new ATOM 0 HG11 VAL A 65 -8.428 -5.174 6.039 1.00 0.50 H new ATOM 0 HG12 VAL A 65 -8.242 -5.046 4.273 1.00 0.50 H new ATOM 0 HG13 VAL A 65 -9.128 -3.789 5.168 1.00 0.50 H new ATOM 0 HG21 VAL A 65 -10.557 -5.801 7.025 1.00 0.61 H new ATOM 0 HG22 VAL A 65 -11.393 -4.439 6.243 1.00 0.61 H new ATOM 0 HG23 VAL A 65 -11.979 -6.101 5.999 1.00 0.61 H new ATOM 980 N ARG A 66 -9.426 -4.780 1.789 1.00 0.37 N ATOM 981 CA ARG A 66 -8.539 -5.096 0.707 1.00 0.36 C ATOM 982 C ARG A 66 -7.156 -5.219 1.305 1.00 0.34 C ATOM 983 O ARG A 66 -6.620 -4.246 1.850 1.00 0.41 O ATOM 984 CB ARG A 66 -8.540 -3.976 -0.323 1.00 0.42 C ATOM 985 CG ARG A 66 -9.909 -3.630 -0.892 1.00 1.13 C ATOM 986 CD ARG A 66 -9.832 -2.418 -1.814 1.00 1.10 C ATOM 987 NE ARG A 66 -8.919 -2.641 -2.943 1.00 0.82 N ATOM 988 CZ ARG A 66 -8.752 -1.822 -3.982 1.00 1.15 C ATOM 989 NH1 ARG A 66 -9.317 -0.615 -3.984 1.00 1.61 N ATOM 990 NH2 ARG A 66 -8.004 -2.203 -5.012 1.00 1.84 N ATOM 0 H ARG A 66 -9.507 -3.781 1.979 1.00 0.37 H new ATOM 0 HA ARG A 66 -8.850 -6.015 0.210 1.00 0.36 H new ATOM 0 HB2 ARG A 66 -8.116 -3.082 0.134 1.00 0.42 H new ATOM 0 HB3 ARG A 66 -7.882 -4.257 -1.145 1.00 0.42 H new ATOM 0 HG2 ARG A 66 -10.304 -4.484 -1.442 1.00 1.13 H new ATOM 0 HG3 ARG A 66 -10.604 -3.427 -0.077 1.00 1.13 H new ATOM 0 HD2 ARG A 66 -10.828 -2.187 -2.193 1.00 1.10 H new ATOM 0 HD3 ARG A 66 -9.499 -1.550 -1.245 1.00 1.10 H new ATOM 0 HE ARG A 66 -8.364 -3.497 -2.931 1.00 0.82 H new ATOM 0 HH11 ARG A 66 -9.880 -0.314 -3.188 1.00 1.61 H new ATOM 0 HH12 ARG A 66 -9.186 0.008 -4.781 1.00 1.61 H new ATOM 0 HH21 ARG A 66 -7.559 -3.121 -5.007 1.00 1.84 H new ATOM 0 HH22 ARG A 66 -7.875 -1.578 -5.808 1.00 1.84 H new ATOM 1004 N HIS A 67 -6.605 -6.391 1.256 1.00 0.35 N ATOM 1005 CA HIS A 67 -5.304 -6.638 1.847 1.00 0.39 C ATOM 1006 C HIS A 67 -4.259 -6.667 0.757 1.00 0.35 C ATOM 1007 O HIS A 67 -4.523 -7.153 -0.354 1.00 0.46 O ATOM 1008 CB HIS A 67 -5.283 -7.967 2.621 1.00 0.53 C ATOM 1009 CG HIS A 67 -6.237 -8.053 3.778 1.00 0.69 C ATOM 1010 ND1 HIS A 67 -5.920 -7.656 5.055 1.00 1.08 N ATOM 1011 CD2 HIS A 67 -7.507 -8.518 3.840 1.00 0.72 C ATOM 1012 CE1 HIS A 67 -6.946 -7.875 5.852 1.00 1.16 C ATOM 1013 NE2 HIS A 67 -7.924 -8.396 5.138 1.00 0.90 N ATOM 0 H HIS A 67 -7.030 -7.205 0.812 1.00 0.35 H new ATOM 0 HA HIS A 67 -5.088 -5.835 2.552 1.00 0.39 H new ATOM 0 HB2 HIS A 67 -5.507 -8.776 1.926 1.00 0.53 H new ATOM 0 HB3 HIS A 67 -4.272 -8.136 2.992 1.00 0.53 H new ATOM 0 HD2 HIS A 67 -8.085 -8.912 3.017 1.00 0.72 H new ATOM 0 HE1 HIS A 67 -6.980 -7.664 6.911 1.00 1.16 H new ATOM 0 HE2 HIS A 67 -8.841 -8.664 5.494 1.00 0.90 H new ATOM 1022 N GLY A 68 -3.110 -6.150 1.040 1.00 0.30 N ATOM 1023 CA GLY A 68 -2.068 -6.147 0.071 1.00 0.31 C ATOM 1024 C GLY A 68 -0.747 -5.850 0.696 1.00 0.24 C ATOM 1025 O GLY A 68 -0.662 -5.639 1.903 1.00 0.26 O ATOM 0 H GLY A 68 -2.870 -5.724 1.935 1.00 0.30 H new ATOM 0 HA2 GLY A 68 -2.028 -7.116 -0.426 1.00 0.31 H new ATOM 0 HA3 GLY A 68 -2.285 -5.404 -0.697 1.00 0.31 H new ATOM 1029 N CYS A 69 0.264 -5.800 -0.105 1.00 0.21 N ATOM 1030 CA CYS A 69 1.589 -5.551 0.363 1.00 0.20 C ATOM 1031 C CYS A 69 2.379 -4.715 -0.634 1.00 0.19 C ATOM 1032 O CYS A 69 2.343 -4.976 -1.837 1.00 0.22 O ATOM 1033 CB CYS A 69 2.291 -6.893 0.584 1.00 0.25 C ATOM 1034 SG CYS A 69 4.067 -6.768 0.930 1.00 0.36 S ATOM 0 H CYS A 69 0.195 -5.932 -1.114 1.00 0.21 H new ATOM 0 HA CYS A 69 1.534 -4.992 1.297 1.00 0.20 H new ATOM 0 HB2 CYS A 69 1.808 -7.408 1.414 1.00 0.25 H new ATOM 0 HB3 CYS A 69 2.149 -7.512 -0.302 1.00 0.25 H new ATOM 1039 N LEU A 70 3.049 -3.691 -0.153 1.00 0.20 N ATOM 1040 CA LEU A 70 3.991 -2.974 -0.982 1.00 0.22 C ATOM 1041 C LEU A 70 5.292 -3.711 -0.838 1.00 0.23 C ATOM 1042 O LEU A 70 5.855 -3.775 0.264 1.00 0.24 O ATOM 1043 CB LEU A 70 4.172 -1.514 -0.547 1.00 0.24 C ATOM 1044 CG LEU A 70 5.144 -0.677 -1.408 1.00 0.25 C ATOM 1045 CD1 LEU A 70 4.619 -0.492 -2.818 1.00 0.26 C ATOM 1046 CD2 LEU A 70 5.429 0.668 -0.773 1.00 0.28 C ATOM 0 H LEU A 70 2.960 -3.339 0.800 1.00 0.20 H new ATOM 0 HA LEU A 70 3.632 -2.936 -2.011 1.00 0.22 H new ATOM 0 HB2 LEU A 70 3.197 -1.028 -0.555 1.00 0.24 H new ATOM 0 HB3 LEU A 70 4.526 -1.502 0.484 1.00 0.24 H new ATOM 0 HG LEU A 70 6.080 -1.234 -1.463 1.00 0.25 H new ATOM 0 HD11 LEU A 70 5.328 0.101 -3.395 1.00 0.26 H new ATOM 0 HD12 LEU A 70 4.492 -1.466 -3.290 1.00 0.26 H new ATOM 0 HD13 LEU A 70 3.659 0.022 -2.784 1.00 0.26 H new ATOM 0 HD21 LEU A 70 6.116 1.231 -1.405 1.00 0.28 H new ATOM 0 HD22 LEU A 70 4.498 1.224 -0.665 1.00 0.28 H new ATOM 0 HD23 LEU A 70 5.879 0.519 0.209 1.00 0.28 H new ATOM 1058 N ARG A 71 5.741 -4.300 -1.893 1.00 0.30 N ATOM 1059 CA ARG A 71 6.911 -5.117 -1.824 1.00 0.35 C ATOM 1060 C ARG A 71 8.105 -4.460 -2.459 1.00 0.36 C ATOM 1061 O ARG A 71 8.080 -4.107 -3.640 1.00 0.42 O ATOM 1062 CB ARG A 71 6.658 -6.518 -2.421 1.00 0.51 C ATOM 1063 CG ARG A 71 6.063 -6.511 -3.826 1.00 1.20 C ATOM 1064 CD ARG A 71 5.876 -7.918 -4.372 1.00 1.20 C ATOM 1065 NE ARG A 71 7.152 -8.592 -4.673 1.00 1.43 N ATOM 1066 CZ ARG A 71 7.275 -9.831 -5.189 1.00 1.80 C ATOM 1067 NH1 ARG A 71 6.206 -10.562 -5.444 1.00 1.98 N ATOM 1068 NH2 ARG A 71 8.487 -10.314 -5.466 1.00 2.68 N ATOM 0 H ARG A 71 5.317 -4.233 -2.818 1.00 0.30 H new ATOM 0 HA ARG A 71 7.144 -5.242 -0.766 1.00 0.35 H new ATOM 0 HB2 ARG A 71 7.600 -7.065 -2.442 1.00 0.51 H new ATOM 0 HB3 ARG A 71 5.987 -7.065 -1.759 1.00 0.51 H new ATOM 0 HG2 ARG A 71 5.102 -5.997 -3.810 1.00 1.20 H new ATOM 0 HG3 ARG A 71 6.715 -5.947 -4.493 1.00 1.20 H new ATOM 0 HD2 ARG A 71 5.319 -8.512 -3.647 1.00 1.20 H new ATOM 0 HD3 ARG A 71 5.272 -7.873 -5.278 1.00 1.20 H new ATOM 0 HE ARG A 71 8.011 -8.079 -4.475 1.00 1.43 H new ATOM 0 HH11 ARG A 71 5.276 -10.190 -5.251 1.00 1.98 H new ATOM 0 HH12 ARG A 71 6.310 -11.499 -5.835 1.00 1.98 H new ATOM 0 HH21 ARG A 71 9.315 -9.746 -5.287 1.00 2.68 H new ATOM 0 HH22 ARG A 71 8.586 -11.251 -5.857 1.00 2.68 H new ATOM 1082 N LEU A 72 9.128 -4.251 -1.661 1.00 0.37 N ATOM 1083 CA LEU A 72 10.381 -3.792 -2.172 1.00 0.42 C ATOM 1084 C LEU A 72 11.176 -5.052 -2.431 1.00 0.44 C ATOM 1085 O LEU A 72 11.573 -5.743 -1.487 1.00 0.49 O ATOM 1086 CB LEU A 72 11.124 -2.954 -1.114 1.00 0.50 C ATOM 1087 CG LEU A 72 10.323 -1.856 -0.411 1.00 0.70 C ATOM 1088 CD1 LEU A 72 11.051 -1.385 0.828 1.00 1.23 C ATOM 1089 CD2 LEU A 72 10.126 -0.697 -1.334 1.00 0.61 C ATOM 0 H LEU A 72 9.107 -4.395 -0.651 1.00 0.37 H new ATOM 0 HA LEU A 72 10.248 -3.172 -3.059 1.00 0.42 H new ATOM 0 HB2 LEU A 72 11.509 -3.633 -0.353 1.00 0.50 H new ATOM 0 HB3 LEU A 72 11.986 -2.490 -1.593 1.00 0.50 H new ATOM 0 HG LEU A 72 9.354 -2.266 -0.125 1.00 0.70 H new ATOM 0 HD11 LEU A 72 10.469 -0.604 1.317 1.00 1.23 H new ATOM 0 HD12 LEU A 72 11.183 -2.222 1.513 1.00 1.23 H new ATOM 0 HD13 LEU A 72 12.027 -0.989 0.548 1.00 1.23 H new ATOM 0 HD21 LEU A 72 9.555 0.080 -0.826 1.00 0.61 H new ATOM 0 HD22 LEU A 72 11.096 -0.299 -1.630 1.00 0.61 H new ATOM 0 HD23 LEU A 72 9.583 -1.026 -2.220 1.00 0.61 H new ATOM 1101 N ASN A 73 11.356 -5.377 -3.678 1.00 0.56 N ATOM 1102 CA ASN A 73 12.112 -6.569 -4.063 1.00 0.72 C ATOM 1103 C ASN A 73 13.557 -6.313 -3.851 1.00 0.73 C ATOM 1104 O ASN A 73 14.261 -7.085 -3.201 1.00 0.87 O ATOM 1105 CB ASN A 73 11.855 -6.951 -5.515 1.00 0.90 C ATOM 1106 CG ASN A 73 10.425 -7.335 -5.768 1.00 1.41 C ATOM 1107 OD1 ASN A 73 9.729 -7.813 -4.870 1.00 2.18 O ATOM 1108 ND2 ASN A 73 9.974 -7.162 -6.980 1.00 1.84 N ATOM 0 H ASN A 73 10.992 -4.838 -4.464 1.00 0.56 H new ATOM 0 HA ASN A 73 11.784 -7.404 -3.443 1.00 0.72 H new ATOM 0 HB2 ASN A 73 12.122 -6.113 -6.160 1.00 0.90 H new ATOM 0 HB3 ASN A 73 12.504 -7.783 -5.788 1.00 0.90 H new ATOM 0 HD21 ASN A 73 9.016 -7.425 -7.210 1.00 1.84 H new ATOM 0 HD22 ASN A 73 10.580 -6.763 -7.697 1.00 1.84 H new ATOM 1115 N GLN A 74 14.005 -5.242 -4.406 1.00 0.66 N ATOM 1116 CA GLN A 74 15.296 -4.770 -4.158 1.00 0.72 C ATOM 1117 C GLN A 74 15.138 -3.332 -3.769 1.00 0.66 C ATOM 1118 O GLN A 74 14.904 -2.477 -4.618 1.00 0.69 O ATOM 1119 CB GLN A 74 16.190 -4.931 -5.397 1.00 0.86 C ATOM 1120 CG GLN A 74 17.619 -4.414 -5.233 1.00 1.58 C ATOM 1121 CD GLN A 74 18.342 -5.005 -4.032 1.00 2.11 C ATOM 1122 OE1 GLN A 74 18.952 -6.059 -4.125 1.00 2.82 O ATOM 1123 NE2 GLN A 74 18.336 -4.300 -2.920 1.00 2.58 N ATOM 0 H GLN A 74 13.465 -4.669 -5.054 1.00 0.66 H new ATOM 0 HA GLN A 74 15.786 -5.336 -3.366 1.00 0.72 H new ATOM 0 HB2 GLN A 74 16.230 -5.987 -5.663 1.00 0.86 H new ATOM 0 HB3 GLN A 74 15.724 -4.409 -6.233 1.00 0.86 H new ATOM 0 HG2 GLN A 74 18.185 -4.641 -6.136 1.00 1.58 H new ATOM 0 HG3 GLN A 74 17.596 -3.329 -5.136 1.00 1.58 H new ATOM 0 HE21 GLN A 74 17.816 -3.423 -2.875 1.00 2.58 H new ATOM 0 HE22 GLN A 74 18.851 -4.630 -2.104 1.00 2.58 H new ATOM 1132 N PRO A 75 15.183 -3.051 -2.467 1.00 0.75 N ATOM 1133 CA PRO A 75 15.087 -1.699 -1.970 1.00 0.84 C ATOM 1134 C PRO A 75 16.321 -0.904 -2.386 1.00 0.81 C ATOM 1135 O PRO A 75 17.421 -1.478 -2.569 1.00 0.83 O ATOM 1136 CB PRO A 75 15.051 -1.866 -0.453 1.00 1.06 C ATOM 1137 CG PRO A 75 14.695 -3.284 -0.234 1.00 1.25 C ATOM 1138 CD PRO A 75 15.286 -4.028 -1.374 1.00 0.93 C ATOM 0 HA PRO A 75 14.219 -1.164 -2.354 1.00 0.84 H new ATOM 0 HB2 PRO A 75 16.016 -1.628 -0.006 1.00 1.06 H new ATOM 0 HB3 PRO A 75 14.317 -1.200 0.000 1.00 1.06 H new ATOM 0 HG2 PRO A 75 15.090 -3.645 0.716 1.00 1.25 H new ATOM 0 HG3 PRO A 75 13.613 -3.415 -0.200 1.00 1.25 H new ATOM 0 HD2 PRO A 75 16.319 -4.316 -1.181 1.00 0.93 H new ATOM 0 HD3 PRO A 75 14.736 -4.943 -1.592 1.00 0.93 H new ATOM 1146 N THR A 76 16.160 0.362 -2.557 1.00 0.86 N ATOM 1147 CA THR A 76 17.226 1.205 -2.991 1.00 0.90 C ATOM 1148 C THR A 76 17.643 2.176 -1.887 1.00 0.84 C ATOM 1149 O THR A 76 17.033 2.181 -0.811 1.00 0.79 O ATOM 1150 CB THR A 76 16.812 2.000 -4.252 1.00 1.07 C ATOM 1151 OG1 THR A 76 15.607 2.725 -3.972 1.00 1.17 O ATOM 1152 CG2 THR A 76 16.581 1.074 -5.443 1.00 1.22 C ATOM 0 H THR A 76 15.278 0.849 -2.399 1.00 0.86 H new ATOM 0 HA THR A 76 18.075 0.566 -3.233 1.00 0.90 H new ATOM 0 HB THR A 76 17.619 2.686 -4.508 1.00 1.07 H new ATOM 0 HG1 THR A 76 15.339 3.233 -4.766 1.00 1.17 H new ATOM 0 HG21 THR A 76 16.292 1.665 -6.312 1.00 1.22 H new ATOM 0 HG22 THR A 76 17.499 0.529 -5.664 1.00 1.22 H new ATOM 0 HG23 THR A 76 15.787 0.366 -5.205 1.00 1.22 H new ATOM 1160 N HIS A 77 18.645 2.986 -2.147 1.00 0.92 N ATOM 1161 CA HIS A 77 19.138 3.999 -1.198 1.00 0.94 C ATOM 1162 C HIS A 77 18.017 4.916 -0.675 1.00 0.81 C ATOM 1163 O HIS A 77 17.994 5.263 0.500 1.00 0.85 O ATOM 1164 CB HIS A 77 20.261 4.854 -1.833 1.00 1.20 C ATOM 1165 CG HIS A 77 19.847 5.663 -3.055 1.00 1.36 C ATOM 1166 ND1 HIS A 77 19.259 5.279 -4.208 1.00 1.98 N flip ATOM 1167 CD2 HIS A 77 20.048 7.009 -3.178 1.00 1.62 C flip ATOM 1168 CE1 HIS A 77 19.121 6.383 -4.985 1.00 2.03 C flip ATOM 1169 NE2 HIS A 77 19.607 7.416 -4.343 1.00 1.72 N flip ATOM 0 H HIS A 77 19.156 2.972 -3.029 1.00 0.92 H new ATOM 0 HA HIS A 77 19.540 3.450 -0.346 1.00 0.94 H new ATOM 0 HB2 HIS A 77 20.646 5.539 -1.077 1.00 1.20 H new ATOM 0 HB3 HIS A 77 21.082 4.195 -2.114 1.00 1.20 H new ATOM 0 HD2 HIS A 77 20.501 7.641 -2.429 1.00 1.62 H new ATOM 0 HE1 HIS A 77 18.682 6.406 -5.972 1.00 2.03 H new ATOM 0 HE2 HIS A 77 19.637 8.374 -4.691 1.00 1.72 H new ATOM 1178 N VAL A 78 17.061 5.256 -1.542 1.00 0.83 N ATOM 1179 CA VAL A 78 16.006 6.174 -1.159 1.00 0.92 C ATOM 1180 C VAL A 78 14.947 5.524 -0.298 1.00 0.90 C ATOM 1181 O VAL A 78 14.164 6.210 0.319 1.00 1.08 O ATOM 1182 CB VAL A 78 15.324 6.902 -2.355 1.00 1.15 C ATOM 1183 CG1 VAL A 78 16.255 7.917 -2.977 1.00 1.33 C ATOM 1184 CG2 VAL A 78 14.835 5.910 -3.404 1.00 1.14 C ATOM 0 H VAL A 78 17.002 4.911 -2.500 1.00 0.83 H new ATOM 0 HA VAL A 78 16.527 6.930 -0.572 1.00 0.92 H new ATOM 0 HB VAL A 78 14.456 7.431 -1.962 1.00 1.15 H new ATOM 0 HG11 VAL A 78 15.752 8.410 -3.809 1.00 1.33 H new ATOM 0 HG12 VAL A 78 16.534 8.660 -2.230 1.00 1.33 H new ATOM 0 HG13 VAL A 78 17.151 7.414 -3.341 1.00 1.33 H new ATOM 0 HG21 VAL A 78 14.364 6.451 -4.225 1.00 1.14 H new ATOM 0 HG22 VAL A 78 15.680 5.337 -3.785 1.00 1.14 H new ATOM 0 HG23 VAL A 78 14.110 5.232 -2.954 1.00 1.14 H new ATOM 1194 N ASN A 79 14.988 4.205 -0.184 1.00 0.78 N ATOM 1195 CA ASN A 79 13.939 3.432 0.508 1.00 0.90 C ATOM 1196 C ASN A 79 14.053 3.468 2.026 1.00 0.78 C ATOM 1197 O ASN A 79 13.602 2.564 2.730 1.00 0.96 O ATOM 1198 CB ASN A 79 13.849 1.998 -0.034 1.00 1.13 C ATOM 1199 CG ASN A 79 13.213 1.936 -1.420 1.00 1.40 C ATOM 1200 OD1 ASN A 79 13.602 1.134 -2.257 1.00 2.19 O ATOM 1201 ND2 ASN A 79 12.195 2.723 -1.651 1.00 1.22 N ATOM 0 H ASN A 79 15.742 3.632 -0.563 1.00 0.78 H new ATOM 0 HA ASN A 79 12.997 3.932 0.281 1.00 0.90 H new ATOM 0 HB2 ASN A 79 14.849 1.566 -0.077 1.00 1.13 H new ATOM 0 HB3 ASN A 79 13.267 1.388 0.657 1.00 1.13 H new ATOM 0 HD21 ASN A 79 11.707 2.676 -2.545 1.00 1.22 H new ATOM 0 HD22 ASN A 79 11.889 3.384 -0.937 1.00 1.22 H new ATOM 1208 N ASN A 80 14.632 4.526 2.502 1.00 0.64 N ATOM 1209 CA ASN A 80 14.744 4.826 3.905 1.00 0.59 C ATOM 1210 C ASN A 80 13.841 6.025 4.144 1.00 0.56 C ATOM 1211 O ASN A 80 14.278 7.062 4.643 1.00 0.88 O ATOM 1212 CB ASN A 80 16.188 5.233 4.262 1.00 0.72 C ATOM 1213 CG ASN A 80 17.249 4.201 3.940 1.00 1.05 C ATOM 1214 OD1 ASN A 80 17.023 2.992 3.988 1.00 1.96 O ATOM 1215 ND2 ASN A 80 18.419 4.673 3.592 1.00 1.43 N ATOM 0 H ASN A 80 15.058 5.235 1.905 1.00 0.64 H new ATOM 0 HA ASN A 80 14.472 3.959 4.507 1.00 0.59 H new ATOM 0 HB2 ASN A 80 16.429 6.155 3.734 1.00 0.72 H new ATOM 0 HB3 ASN A 80 16.232 5.455 5.328 1.00 0.72 H new ATOM 0 HD21 ASN A 80 19.176 4.033 3.351 1.00 1.43 H new ATOM 0 HD22 ASN A 80 18.574 5.681 3.562 1.00 1.43 H new ATOM 1222 N GLY A 81 12.603 5.918 3.745 1.00 0.46 N ATOM 1223 CA GLY A 81 11.744 7.070 3.794 1.00 0.49 C ATOM 1224 C GLY A 81 10.394 6.800 4.381 1.00 0.43 C ATOM 1225 O GLY A 81 10.148 5.725 4.953 1.00 0.40 O ATOM 0 H GLY A 81 12.173 5.064 3.389 1.00 0.46 H new ATOM 0 HA2 GLY A 81 12.233 7.850 4.378 1.00 0.49 H new ATOM 0 HA3 GLY A 81 11.618 7.459 2.784 1.00 0.49 H new ATOM 1229 N ASN A 82 9.519 7.762 4.216 1.00 0.45 N ATOM 1230 CA ASN A 82 8.194 7.740 4.786 1.00 0.44 C ATOM 1231 C ASN A 82 7.178 7.372 3.722 1.00 0.37 C ATOM 1232 O ASN A 82 6.965 8.129 2.769 1.00 0.46 O ATOM 1233 CB ASN A 82 7.846 9.124 5.341 1.00 0.56 C ATOM 1234 CG ASN A 82 8.826 9.619 6.386 1.00 1.27 C ATOM 1235 OD1 ASN A 82 9.831 10.261 6.066 1.00 2.23 O ATOM 1236 ND2 ASN A 82 8.545 9.355 7.623 1.00 1.65 N ATOM 0 H ASN A 82 9.713 8.601 3.669 1.00 0.45 H new ATOM 0 HA ASN A 82 8.171 7.002 5.587 1.00 0.44 H new ATOM 0 HB2 ASN A 82 7.812 9.839 4.519 1.00 0.56 H new ATOM 0 HB3 ASN A 82 6.847 9.092 5.777 1.00 0.56 H new ATOM 0 HD21 ASN A 82 9.162 9.680 8.367 1.00 1.65 H new ATOM 0 HD22 ASN A 82 7.706 8.822 7.853 1.00 1.65 H new ATOM 1243 N TYR A 83 6.551 6.235 3.884 1.00 0.29 N ATOM 1244 CA TYR A 83 5.564 5.744 2.941 1.00 0.27 C ATOM 1245 C TYR A 83 4.174 6.040 3.489 1.00 0.28 C ATOM 1246 O TYR A 83 3.809 5.565 4.560 1.00 0.47 O ATOM 1247 CB TYR A 83 5.729 4.222 2.732 1.00 0.34 C ATOM 1248 CG TYR A 83 7.102 3.795 2.239 1.00 0.38 C ATOM 1249 CD1 TYR A 83 7.333 3.532 0.897 1.00 0.60 C ATOM 1250 CD2 TYR A 83 8.173 3.664 3.117 1.00 0.49 C ATOM 1251 CE1 TYR A 83 8.583 3.153 0.449 1.00 0.69 C ATOM 1252 CE2 TYR A 83 9.417 3.288 2.677 1.00 0.55 C ATOM 1253 CZ TYR A 83 9.618 3.036 1.348 1.00 0.60 C ATOM 1254 OH TYR A 83 10.860 2.670 0.915 1.00 0.69 O ATOM 0 H TYR A 83 6.708 5.615 4.678 1.00 0.29 H new ATOM 0 HA TYR A 83 5.702 6.241 1.981 1.00 0.27 H new ATOM 0 HB2 TYR A 83 5.522 3.715 3.674 1.00 0.34 H new ATOM 0 HB3 TYR A 83 4.979 3.884 2.017 1.00 0.34 H new ATOM 0 HD1 TYR A 83 6.522 3.625 0.190 1.00 0.60 H new ATOM 0 HD2 TYR A 83 8.022 3.863 4.168 1.00 0.49 H new ATOM 0 HE1 TYR A 83 8.747 2.950 -0.599 1.00 0.69 H new ATOM 0 HE2 TYR A 83 10.234 3.191 3.377 1.00 0.55 H new ATOM 0 HH TYR A 83 11.493 2.713 1.662 1.00 0.69 H new ATOM 1264 N THR A 84 3.439 6.854 2.804 1.00 0.22 N ATOM 1265 CA THR A 84 2.104 7.206 3.211 1.00 0.23 C ATOM 1266 C THR A 84 1.104 6.723 2.166 1.00 0.22 C ATOM 1267 O THR A 84 1.217 7.066 0.994 1.00 0.26 O ATOM 1268 CB THR A 84 2.013 8.734 3.406 1.00 0.27 C ATOM 1269 OG1 THR A 84 3.008 9.127 4.374 1.00 0.34 O ATOM 1270 CG2 THR A 84 0.627 9.173 3.882 1.00 0.33 C ATOM 0 H THR A 84 3.744 7.300 1.939 1.00 0.22 H new ATOM 0 HA THR A 84 1.865 6.723 4.158 1.00 0.23 H new ATOM 0 HB THR A 84 2.190 9.218 2.445 1.00 0.27 H new ATOM 0 HG1 THR A 84 2.643 9.025 5.278 1.00 0.34 H new ATOM 0 HG21 THR A 84 0.611 10.256 4.005 1.00 0.33 H new ATOM 0 HG22 THR A 84 -0.120 8.880 3.145 1.00 0.33 H new ATOM 0 HG23 THR A 84 0.402 8.696 4.836 1.00 0.33 H new ATOM 1278 N LEU A 85 0.165 5.917 2.584 1.00 0.20 N ATOM 1279 CA LEU A 85 -0.820 5.377 1.684 1.00 0.19 C ATOM 1280 C LEU A 85 -2.082 6.211 1.746 1.00 0.18 C ATOM 1281 O LEU A 85 -2.693 6.356 2.815 1.00 0.19 O ATOM 1282 CB LEU A 85 -1.131 3.909 2.023 1.00 0.20 C ATOM 1283 CG LEU A 85 -2.117 3.192 1.098 1.00 0.20 C ATOM 1284 CD1 LEU A 85 -1.578 3.156 -0.297 1.00 0.21 C ATOM 1285 CD2 LEU A 85 -2.374 1.781 1.572 1.00 0.22 C ATOM 0 H LEU A 85 0.061 5.617 3.553 1.00 0.20 H new ATOM 0 HA LEU A 85 -0.419 5.409 0.671 1.00 0.19 H new ATOM 0 HB2 LEU A 85 -0.194 3.352 2.021 1.00 0.20 H new ATOM 0 HB3 LEU A 85 -1.524 3.869 3.039 1.00 0.20 H new ATOM 0 HG LEU A 85 -3.057 3.744 1.114 1.00 0.20 H new ATOM 0 HD11 LEU A 85 -2.287 2.644 -0.948 1.00 0.21 H new ATOM 0 HD12 LEU A 85 -1.427 4.174 -0.655 1.00 0.21 H new ATOM 0 HD13 LEU A 85 -0.627 2.624 -0.306 1.00 0.21 H new ATOM 0 HD21 LEU A 85 -3.078 1.293 0.898 1.00 0.22 H new ATOM 0 HD22 LEU A 85 -1.437 1.224 1.583 1.00 0.22 H new ATOM 0 HD23 LEU A 85 -2.793 1.806 2.578 1.00 0.22 H new ATOM 1297 N LEU A 86 -2.425 6.791 0.630 1.00 0.20 N ATOM 1298 CA LEU A 86 -3.623 7.579 0.488 1.00 0.22 C ATOM 1299 C LEU A 86 -4.670 6.748 -0.213 1.00 0.22 C ATOM 1300 O LEU A 86 -4.360 6.042 -1.176 1.00 0.27 O ATOM 1301 CB LEU A 86 -3.392 8.857 -0.370 1.00 0.28 C ATOM 1302 CG LEU A 86 -2.457 9.972 0.155 1.00 0.32 C ATOM 1303 CD1 LEU A 86 -2.878 10.458 1.518 1.00 0.36 C ATOM 1304 CD2 LEU A 86 -1.004 9.551 0.151 1.00 0.32 C ATOM 0 H LEU A 86 -1.871 6.730 -0.224 1.00 0.20 H new ATOM 0 HA LEU A 86 -3.935 7.880 1.488 1.00 0.22 H new ATOM 0 HB2 LEU A 86 -3.005 8.535 -1.337 1.00 0.28 H new ATOM 0 HB3 LEU A 86 -4.367 9.308 -0.552 1.00 0.28 H new ATOM 0 HG LEU A 86 -2.552 10.807 -0.539 1.00 0.32 H new ATOM 0 HD11 LEU A 86 -2.197 11.240 1.852 1.00 0.36 H new ATOM 0 HD12 LEU A 86 -3.891 10.857 1.465 1.00 0.36 H new ATOM 0 HD13 LEU A 86 -2.852 9.628 2.224 1.00 0.36 H new ATOM 0 HD21 LEU A 86 -0.388 10.367 0.528 1.00 0.32 H new ATOM 0 HD22 LEU A 86 -0.877 8.676 0.788 1.00 0.32 H new ATOM 0 HD23 LEU A 86 -0.699 9.306 -0.866 1.00 0.32 H new ATOM 1316 N ALA A 87 -5.870 6.802 0.271 1.00 0.21 N ATOM 1317 CA ALA A 87 -6.976 6.167 -0.386 1.00 0.23 C ATOM 1318 C ALA A 87 -8.066 7.183 -0.536 1.00 0.29 C ATOM 1319 O ALA A 87 -8.552 7.718 0.460 1.00 0.31 O ATOM 1320 CB ALA A 87 -7.475 4.976 0.414 1.00 0.24 C ATOM 0 H ALA A 87 -6.115 7.287 1.134 1.00 0.21 H new ATOM 0 HA ALA A 87 -6.661 5.795 -1.361 1.00 0.23 H new ATOM 0 HB1 ALA A 87 -8.313 4.513 -0.107 1.00 0.24 H new ATOM 0 HB2 ALA A 87 -6.670 4.249 0.524 1.00 0.24 H new ATOM 0 HB3 ALA A 87 -7.800 5.310 1.399 1.00 0.24 H new ATOM 1326 N ALA A 88 -8.456 7.447 -1.745 1.00 0.36 N ATOM 1327 CA ALA A 88 -9.454 8.453 -2.005 1.00 0.45 C ATOM 1328 C ALA A 88 -10.718 7.822 -2.539 1.00 0.37 C ATOM 1329 O ALA A 88 -10.653 6.936 -3.403 1.00 0.37 O ATOM 1330 CB ALA A 88 -8.910 9.491 -2.970 1.00 0.61 C ATOM 0 H ALA A 88 -8.098 6.978 -2.577 1.00 0.36 H new ATOM 0 HA ALA A 88 -9.702 8.953 -1.069 1.00 0.45 H new ATOM 0 HB1 ALA A 88 -9.672 10.247 -3.160 1.00 0.61 H new ATOM 0 HB2 ALA A 88 -8.029 9.965 -2.536 1.00 0.61 H new ATOM 0 HB3 ALA A 88 -8.637 9.008 -3.908 1.00 0.61 H new ATOM 1336 N ASN A 89 -11.846 8.245 -2.002 1.00 0.49 N ATOM 1337 CA ASN A 89 -13.154 7.739 -2.395 1.00 0.58 C ATOM 1338 C ASN A 89 -14.190 8.850 -2.115 1.00 0.57 C ATOM 1339 O ASN A 89 -13.811 9.866 -1.519 1.00 0.55 O ATOM 1340 CB ASN A 89 -13.493 6.443 -1.594 1.00 0.86 C ATOM 1341 CG ASN A 89 -13.863 6.697 -0.137 1.00 0.59 C ATOM 1342 OD1 ASN A 89 -15.035 6.833 0.198 1.00 0.71 O ATOM 1343 ND2 ASN A 89 -12.887 6.786 0.725 1.00 1.18 N ATOM 0 H ASN A 89 -11.884 8.957 -1.273 1.00 0.49 H new ATOM 0 HA ASN A 89 -13.165 7.480 -3.454 1.00 0.58 H new ATOM 0 HB2 ASN A 89 -14.320 5.930 -2.085 1.00 0.86 H new ATOM 0 HB3 ASN A 89 -12.636 5.771 -1.629 1.00 0.86 H new ATOM 0 HD21 ASN A 89 -13.089 6.973 1.707 1.00 1.18 H new ATOM 0 HD22 ASN A 89 -11.922 6.668 0.417 1.00 1.18 H new ATOM 1350 N PRO A 90 -15.474 8.726 -2.532 1.00 0.64 N ATOM 1351 CA PRO A 90 -16.490 9.781 -2.294 1.00 0.68 C ATOM 1352 C PRO A 90 -16.647 10.155 -0.809 1.00 0.56 C ATOM 1353 O PRO A 90 -16.731 11.337 -0.464 1.00 0.63 O ATOM 1354 CB PRO A 90 -17.779 9.156 -2.827 1.00 0.81 C ATOM 1355 CG PRO A 90 -17.315 8.194 -3.858 1.00 1.00 C ATOM 1356 CD PRO A 90 -16.050 7.606 -3.314 1.00 0.74 C ATOM 0 HA PRO A 90 -16.212 10.716 -2.780 1.00 0.68 H new ATOM 0 HB2 PRO A 90 -18.336 8.654 -2.036 1.00 0.81 H new ATOM 0 HB3 PRO A 90 -18.441 9.910 -3.254 1.00 0.81 H new ATOM 0 HG2 PRO A 90 -18.062 7.421 -4.038 1.00 1.00 H new ATOM 0 HG3 PRO A 90 -17.138 8.694 -4.810 1.00 1.00 H new ATOM 0 HD2 PRO A 90 -16.246 6.735 -2.688 1.00 0.74 H new ATOM 0 HD3 PRO A 90 -15.380 7.282 -4.110 1.00 0.74 H new ATOM 1364 N CYS A 91 -16.593 9.156 0.063 1.00 0.50 N ATOM 1365 CA CYS A 91 -16.806 9.364 1.493 1.00 0.50 C ATOM 1366 C CYS A 91 -15.620 10.080 2.154 1.00 0.46 C ATOM 1367 O CYS A 91 -15.736 10.595 3.278 1.00 0.61 O ATOM 1368 CB CYS A 91 -17.121 8.030 2.209 1.00 0.61 C ATOM 1369 SG CYS A 91 -17.400 8.175 4.015 1.00 1.10 S ATOM 0 H CYS A 91 -16.403 8.188 -0.195 1.00 0.50 H new ATOM 0 HA CYS A 91 -17.673 10.017 1.597 1.00 0.50 H new ATOM 0 HB2 CYS A 91 -18.007 7.589 1.753 1.00 0.61 H new ATOM 0 HB3 CYS A 91 -16.297 7.338 2.037 1.00 0.61 H new ATOM 1374 N GLY A 92 -14.490 10.120 1.481 1.00 0.46 N ATOM 1375 CA GLY A 92 -13.380 10.814 2.037 1.00 0.58 C ATOM 1376 C GLY A 92 -12.060 10.293 1.563 1.00 0.49 C ATOM 1377 O GLY A 92 -11.975 9.600 0.544 1.00 0.59 O ATOM 0 H GLY A 92 -14.330 9.688 0.571 1.00 0.46 H new ATOM 0 HA2 GLY A 92 -13.458 11.871 1.784 1.00 0.58 H new ATOM 0 HA3 GLY A 92 -13.422 10.742 3.124 1.00 0.58 H new ATOM 1381 N GLN A 93 -11.042 10.613 2.291 1.00 0.46 N ATOM 1382 CA GLN A 93 -9.712 10.233 1.957 1.00 0.42 C ATOM 1383 C GLN A 93 -9.026 9.711 3.202 1.00 0.41 C ATOM 1384 O GLN A 93 -8.953 10.409 4.227 1.00 0.56 O ATOM 1385 CB GLN A 93 -8.967 11.446 1.423 1.00 0.53 C ATOM 1386 CG GLN A 93 -7.548 11.182 0.947 1.00 0.58 C ATOM 1387 CD GLN A 93 -6.846 12.471 0.606 1.00 0.92 C ATOM 1388 OE1 GLN A 93 -7.124 13.510 1.199 1.00 1.57 O ATOM 1389 NE2 GLN A 93 -5.961 12.440 -0.342 1.00 1.33 N ATOM 0 H GLN A 93 -11.114 11.156 3.151 1.00 0.46 H new ATOM 0 HA GLN A 93 -9.721 9.454 1.194 1.00 0.42 H new ATOM 0 HB2 GLN A 93 -9.538 11.866 0.595 1.00 0.53 H new ATOM 0 HB3 GLN A 93 -8.935 12.205 2.205 1.00 0.53 H new ATOM 0 HG2 GLN A 93 -6.992 10.655 1.723 1.00 0.58 H new ATOM 0 HG3 GLN A 93 -7.569 10.532 0.072 1.00 0.58 H new ATOM 0 HE21 GLN A 93 -5.752 11.561 -0.816 1.00 1.33 H new ATOM 0 HE22 GLN A 93 -5.474 13.294 -0.613 1.00 1.33 H new ATOM 1398 N ALA A 94 -8.528 8.523 3.123 1.00 0.30 N ATOM 1399 CA ALA A 94 -7.840 7.919 4.225 1.00 0.33 C ATOM 1400 C ALA A 94 -6.363 7.999 3.971 1.00 0.31 C ATOM 1401 O ALA A 94 -5.927 8.032 2.813 1.00 0.30 O ATOM 1402 CB ALA A 94 -8.254 6.483 4.385 1.00 0.37 C ATOM 0 H ALA A 94 -8.585 7.937 2.290 1.00 0.30 H new ATOM 0 HA ALA A 94 -8.092 8.449 5.143 1.00 0.33 H new ATOM 0 HB1 ALA A 94 -7.720 6.042 5.227 1.00 0.37 H new ATOM 0 HB2 ALA A 94 -9.327 6.432 4.569 1.00 0.37 H new ATOM 0 HB3 ALA A 94 -8.015 5.932 3.475 1.00 0.37 H new ATOM 1408 N SER A 95 -5.612 8.054 5.023 1.00 0.36 N ATOM 1409 CA SER A 95 -4.196 8.163 4.949 1.00 0.37 C ATOM 1410 C SER A 95 -3.543 7.546 6.175 1.00 0.38 C ATOM 1411 O SER A 95 -4.010 7.736 7.296 1.00 0.57 O ATOM 1412 CB SER A 95 -3.817 9.637 4.796 1.00 0.43 C ATOM 1413 OG SER A 95 -4.568 10.466 5.694 1.00 0.50 O ATOM 0 H SER A 95 -5.976 8.024 5.975 1.00 0.36 H new ATOM 0 HA SER A 95 -3.832 7.613 4.081 1.00 0.37 H new ATOM 0 HB2 SER A 95 -2.751 9.762 4.988 1.00 0.43 H new ATOM 0 HB3 SER A 95 -3.995 9.956 3.769 1.00 0.43 H new ATOM 0 HG SER A 95 -4.303 11.402 5.574 1.00 0.50 H new ATOM 1419 N ALA A 96 -2.516 6.787 5.953 1.00 0.27 N ATOM 1420 CA ALA A 96 -1.737 6.196 7.016 1.00 0.27 C ATOM 1421 C ALA A 96 -0.293 6.279 6.607 1.00 0.23 C ATOM 1422 O ALA A 96 -0.009 6.344 5.405 1.00 0.26 O ATOM 1423 CB ALA A 96 -2.150 4.745 7.242 1.00 0.30 C ATOM 0 H ALA A 96 -2.184 6.552 5.018 1.00 0.27 H new ATOM 0 HA ALA A 96 -1.901 6.727 7.954 1.00 0.27 H new ATOM 0 HB1 ALA A 96 -1.552 4.318 8.047 1.00 0.30 H new ATOM 0 HB2 ALA A 96 -3.205 4.705 7.514 1.00 0.30 H new ATOM 0 HB3 ALA A 96 -1.989 4.174 6.327 1.00 0.30 H new ATOM 1429 N SER A 97 0.610 6.274 7.549 1.00 0.26 N ATOM 1430 CA SER A 97 2.012 6.403 7.230 1.00 0.28 C ATOM 1431 C SER A 97 2.835 5.313 7.902 1.00 0.25 C ATOM 1432 O SER A 97 2.500 4.850 8.997 1.00 0.38 O ATOM 1433 CB SER A 97 2.513 7.794 7.627 1.00 0.41 C ATOM 1434 OG SER A 97 1.763 8.810 6.959 1.00 1.26 O ATOM 0 H SER A 97 0.404 6.182 8.544 1.00 0.26 H new ATOM 0 HA SER A 97 2.133 6.282 6.153 1.00 0.28 H new ATOM 0 HB2 SER A 97 2.428 7.922 8.706 1.00 0.41 H new ATOM 0 HB3 SER A 97 3.569 7.891 7.377 1.00 0.41 H new ATOM 0 HG SER A 97 2.096 9.692 7.226 1.00 1.26 H new ATOM 1440 N ILE A 98 3.865 4.873 7.217 1.00 0.25 N ATOM 1441 CA ILE A 98 4.774 3.878 7.710 1.00 0.28 C ATOM 1442 C ILE A 98 6.179 4.232 7.209 1.00 0.28 C ATOM 1443 O ILE A 98 6.380 4.492 6.025 1.00 0.30 O ATOM 1444 CB ILE A 98 4.299 2.423 7.263 1.00 0.36 C ATOM 1445 CG1 ILE A 98 5.174 1.260 7.833 1.00 0.72 C ATOM 1446 CG2 ILE A 98 4.167 2.308 5.746 1.00 0.39 C ATOM 1447 CD1 ILE A 98 6.524 1.030 7.172 1.00 0.37 C ATOM 0 H ILE A 98 4.095 5.208 6.281 1.00 0.25 H new ATOM 0 HA ILE A 98 4.791 3.865 8.800 1.00 0.28 H new ATOM 0 HB ILE A 98 3.312 2.304 7.709 1.00 0.36 H new ATOM 0 HG12 ILE A 98 5.343 1.450 8.893 1.00 0.72 H new ATOM 0 HG13 ILE A 98 4.599 0.336 7.762 1.00 0.72 H new ATOM 0 HG21 ILE A 98 3.841 1.301 5.484 1.00 0.39 H new ATOM 0 HG22 ILE A 98 3.434 3.031 5.389 1.00 0.39 H new ATOM 0 HG23 ILE A 98 5.132 2.510 5.281 1.00 0.39 H new ATOM 0 HD11 ILE A 98 7.031 0.197 7.659 1.00 0.37 H new ATOM 0 HD12 ILE A 98 6.378 0.799 6.117 1.00 0.37 H new ATOM 0 HD13 ILE A 98 7.133 1.929 7.265 1.00 0.37 H new ATOM 1459 N MET A 99 7.120 4.328 8.106 1.00 0.34 N ATOM 1460 CA MET A 99 8.483 4.614 7.719 1.00 0.41 C ATOM 1461 C MET A 99 9.315 3.359 7.862 1.00 0.40 C ATOM 1462 O MET A 99 9.160 2.622 8.838 1.00 0.51 O ATOM 1463 CB MET A 99 9.084 5.748 8.564 1.00 0.59 C ATOM 1464 CG MET A 99 10.444 6.189 8.054 1.00 0.85 C ATOM 1465 SD MET A 99 11.174 7.557 8.956 1.00 1.25 S ATOM 1466 CE MET A 99 12.544 7.893 7.859 1.00 1.18 C ATOM 0 H MET A 99 6.974 4.214 9.109 1.00 0.34 H new ATOM 0 HA MET A 99 8.485 4.944 6.680 1.00 0.41 H new ATOM 0 HB2 MET A 99 8.404 6.600 8.561 1.00 0.59 H new ATOM 0 HB3 MET A 99 9.176 5.417 9.599 1.00 0.59 H new ATOM 0 HG2 MET A 99 11.126 5.339 8.095 1.00 0.85 H new ATOM 0 HG3 MET A 99 10.350 6.472 7.006 1.00 0.85 H new ATOM 0 HE1 MET A 99 13.129 8.725 8.251 1.00 1.18 H new ATOM 0 HE2 MET A 99 13.176 7.008 7.785 1.00 1.18 H new ATOM 0 HE3 MET A 99 12.164 8.151 6.871 1.00 1.18 H new ATOM 1476 N ALA A 100 10.159 3.098 6.899 1.00 0.42 N ATOM 1477 CA ALA A 100 11.014 1.936 6.930 1.00 0.48 C ATOM 1478 C ALA A 100 12.411 2.348 6.516 1.00 0.48 C ATOM 1479 O ALA A 100 12.563 3.249 5.692 1.00 0.57 O ATOM 1480 CB ALA A 100 10.467 0.832 6.017 1.00 0.58 C ATOM 0 H ALA A 100 10.275 3.683 6.071 1.00 0.42 H new ATOM 0 HA ALA A 100 11.044 1.530 7.941 1.00 0.48 H new ATOM 0 HB1 ALA A 100 11.128 -0.034 6.057 1.00 0.58 H new ATOM 0 HB2 ALA A 100 9.471 0.543 6.352 1.00 0.58 H new ATOM 0 HB3 ALA A 100 10.413 1.201 4.993 1.00 0.58 H new ATOM 1486 N ALA A 101 13.411 1.721 7.094 1.00 0.56 N ATOM 1487 CA ALA A 101 14.792 2.052 6.805 1.00 0.65 C ATOM 1488 C ALA A 101 15.568 0.803 6.423 1.00 0.66 C ATOM 1489 O ALA A 101 15.895 -0.029 7.268 1.00 0.77 O ATOM 1490 CB ALA A 101 15.428 2.745 7.998 1.00 0.84 C ATOM 0 H ALA A 101 13.293 0.971 7.775 1.00 0.56 H new ATOM 0 HA ALA A 101 14.819 2.738 5.959 1.00 0.65 H new ATOM 0 HB1 ALA A 101 16.465 2.988 7.767 1.00 0.84 H new ATOM 0 HB2 ALA A 101 14.881 3.661 8.220 1.00 0.84 H new ATOM 0 HB3 ALA A 101 15.394 2.083 8.864 1.00 0.84 H new ATOM 1496 N PHE A 102 15.818 0.673 5.152 1.00 0.75 N ATOM 1497 CA PHE A 102 16.532 -0.469 4.586 1.00 0.87 C ATOM 1498 C PHE A 102 18.056 -0.483 4.882 1.00 1.20 C ATOM 1499 O PHE A 102 18.583 -1.481 5.404 1.00 2.05 O ATOM 1500 CB PHE A 102 16.279 -0.532 3.072 1.00 0.97 C ATOM 1501 CG PHE A 102 17.053 -1.602 2.347 1.00 1.69 C ATOM 1502 CD1 PHE A 102 16.820 -2.937 2.606 1.00 2.20 C ATOM 1503 CD2 PHE A 102 17.995 -1.265 1.386 1.00 2.45 C ATOM 1504 CE1 PHE A 102 17.510 -3.919 1.927 1.00 3.25 C ATOM 1505 CE2 PHE A 102 18.691 -2.241 0.706 1.00 3.51 C ATOM 1506 CZ PHE A 102 18.449 -3.571 0.976 1.00 3.86 C ATOM 0 H PHE A 102 15.533 1.362 4.456 1.00 0.75 H new ATOM 0 HA PHE A 102 16.134 -1.356 5.080 1.00 0.87 H new ATOM 0 HB2 PHE A 102 15.215 -0.695 2.902 1.00 0.97 H new ATOM 0 HB3 PHE A 102 16.527 0.435 2.636 1.00 0.97 H new ATOM 0 HD1 PHE A 102 16.088 -3.216 3.350 1.00 2.20 H new ATOM 0 HD2 PHE A 102 18.185 -0.225 1.168 1.00 2.45 H new ATOM 0 HE1 PHE A 102 17.316 -4.960 2.139 1.00 3.25 H new ATOM 0 HE2 PHE A 102 19.425 -1.964 -0.037 1.00 3.51 H new ATOM 0 HZ PHE A 102 18.992 -4.339 0.445 1.00 3.86 H new