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 -83:sc= 0.567 USER MOD Set 1.2: A 97 SER OG : rot 180:sc= 0.513 USER MOD Set 2.1: A 76 THR OG1 : rot -140:sc= 0.902 USER MOD Set 2.2: A 79 ASN : amide:sc= -0.133 K(o=0.77,f=1.3) USER MOD Set 3.1: A 28 SER OG : rot -90:sc= 0.612 USER MOD Set 3.2: A 67 HIS : no HD1:sc= 1.73 K(o=2.3,f=-4.7!) USER MOD Set 4.1: A 22 HIS : no HD1:sc= -0.436 K(o=-0.48,f=-2.2) USER MOD Set 4.2: A 73 ASN : amide:sc= -0.0411 K(o=-0.48,f=-5!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 111:sc= 1.22 USER MOD Single : A 13 GLN : amide:sc= -0.114 K(o=-0.11,f=-0.69) 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= 0.0254 USER MOD Single : A 20 MET CE :methyl -142:sc= 0 (180deg=-1.17) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.278 K(o=-0.28,f=-1.2) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0.843 K(o=0.84,f=-4!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.13 K(o=-0.13,f=-3.3!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.348 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 76:sc= 1.81 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 64 THR OG1 : rot 170:sc= 0.515 USER MOD Single : A 74 GLN : amide:sc= -0.844 K(o=-0.84,f=-0.03) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= 0.797 K(o=0.8,f=-0.073) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 TYR OH : rot 175:sc= -2.23! USER MOD Single : A 89 ASN : amide:sc= -0.579 K(o=-0.58,f=-6.7!) USER MOD Single : A 93 GLN : amide:sc= -0.347 K(o=-0.35,f=-1.1!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -159:sc= 0 (180deg=-0.621) USER MOD ----------------------------------------------------------------- ATOM 79 N SER A 7 -22.629 1.248 4.002 1.00 1.06 N ATOM 80 CA SER A 7 -21.787 2.323 3.601 1.00 0.91 C ATOM 81 C SER A 7 -20.522 2.295 4.447 1.00 0.81 C ATOM 82 O SER A 7 -20.519 2.728 5.608 1.00 0.91 O ATOM 83 CB SER A 7 -22.535 3.649 3.795 1.00 1.01 C ATOM 84 OG SER A 7 -21.901 4.740 3.119 1.00 1.58 O ATOM 0 HA SER A 7 -21.517 2.225 2.550 1.00 0.91 H new ATOM 0 HB2 SER A 7 -23.556 3.543 3.429 1.00 1.01 H new ATOM 0 HB3 SER A 7 -22.600 3.874 4.860 1.00 1.01 H new ATOM 0 HG SER A 7 -22.414 5.561 3.270 1.00 1.58 H new ATOM 90 N PHE A 8 -19.478 1.742 3.892 1.00 0.75 N ATOM 91 CA PHE A 8 -18.196 1.720 4.547 1.00 0.70 C ATOM 92 C PHE A 8 -17.282 2.702 3.877 1.00 0.53 C ATOM 93 O PHE A 8 -17.112 2.667 2.650 1.00 0.54 O ATOM 94 CB PHE A 8 -17.575 0.323 4.514 1.00 0.85 C ATOM 95 CG PHE A 8 -18.391 -0.714 5.205 1.00 0.77 C ATOM 96 CD1 PHE A 8 -18.883 -1.798 4.509 1.00 0.88 C ATOM 97 CD2 PHE A 8 -18.681 -0.596 6.552 1.00 1.01 C ATOM 98 CE1 PHE A 8 -19.646 -2.746 5.143 1.00 0.85 C ATOM 99 CE2 PHE A 8 -19.444 -1.541 7.191 1.00 1.19 C ATOM 100 CZ PHE A 8 -19.928 -2.615 6.484 1.00 0.96 C ATOM 0 H PHE A 8 -19.490 1.295 2.975 1.00 0.75 H new ATOM 0 HA PHE A 8 -18.338 1.996 5.592 1.00 0.70 H new ATOM 0 HB2 PHE A 8 -17.429 0.025 3.476 1.00 0.85 H new ATOM 0 HB3 PHE A 8 -16.588 0.363 4.976 1.00 0.85 H new ATOM 0 HD1 PHE A 8 -18.666 -1.902 3.456 1.00 0.88 H new ATOM 0 HD2 PHE A 8 -18.303 0.249 7.107 1.00 1.01 H new ATOM 0 HE1 PHE A 8 -20.025 -3.593 4.591 1.00 0.85 H new ATOM 0 HE2 PHE A 8 -19.663 -1.441 8.244 1.00 1.19 H new ATOM 0 HZ PHE A 8 -20.532 -3.359 6.982 1.00 0.96 H new ATOM 110 N CYS A 9 -16.705 3.567 4.665 1.00 0.49 N ATOM 111 CA CYS A 9 -15.800 4.582 4.174 1.00 0.44 C ATOM 112 C CYS A 9 -14.408 3.949 4.070 1.00 0.37 C ATOM 113 O CYS A 9 -14.251 2.773 4.380 1.00 0.40 O ATOM 114 CB CYS A 9 -15.795 5.756 5.154 1.00 0.62 C ATOM 115 SG CYS A 9 -15.156 7.309 4.463 1.00 1.32 S ATOM 0 H CYS A 9 -16.848 3.592 5.675 1.00 0.49 H new ATOM 0 HA CYS A 9 -16.106 4.954 3.196 1.00 0.44 H new ATOM 0 HB2 CYS A 9 -16.812 5.922 5.508 1.00 0.62 H new ATOM 0 HB3 CYS A 9 -15.195 5.485 6.023 1.00 0.62 H new ATOM 120 N ALA A 10 -13.407 4.703 3.682 1.00 0.35 N ATOM 121 CA ALA A 10 -12.100 4.118 3.463 1.00 0.35 C ATOM 122 C ALA A 10 -11.242 4.237 4.685 1.00 0.29 C ATOM 123 O ALA A 10 -10.981 5.350 5.168 1.00 0.34 O ATOM 124 CB ALA A 10 -11.393 4.780 2.303 1.00 0.45 C ATOM 0 H ALA A 10 -13.467 5.707 3.513 1.00 0.35 H new ATOM 0 HA ALA A 10 -12.258 3.064 3.235 1.00 0.35 H new ATOM 0 HB1 ALA A 10 -10.415 4.320 2.163 1.00 0.45 H new ATOM 0 HB2 ALA A 10 -11.986 4.656 1.397 1.00 0.45 H new ATOM 0 HB3 ALA A 10 -11.268 5.842 2.512 1.00 0.45 H new ATOM 130 N SER A 11 -10.822 3.115 5.185 1.00 0.27 N ATOM 131 CA SER A 11 -9.945 3.078 6.313 1.00 0.27 C ATOM 132 C SER A 11 -8.617 2.486 5.852 1.00 0.23 C ATOM 133 O SER A 11 -8.594 1.453 5.176 1.00 0.25 O ATOM 134 CB SER A 11 -10.545 2.223 7.422 1.00 0.37 C ATOM 135 OG SER A 11 -11.957 2.412 7.518 1.00 1.19 O ATOM 0 H SER A 11 -11.079 2.198 4.821 1.00 0.27 H new ATOM 0 HA SER A 11 -9.796 4.083 6.708 1.00 0.27 H new ATOM 0 HB2 SER A 11 -10.329 1.172 7.231 1.00 0.37 H new ATOM 0 HB3 SER A 11 -10.077 2.477 8.373 1.00 0.37 H new ATOM 0 HG SER A 11 -12.417 1.599 7.222 1.00 1.19 H new ATOM 141 N VAL A 12 -7.532 3.140 6.188 1.00 0.23 N ATOM 142 CA VAL A 12 -6.220 2.706 5.756 1.00 0.22 C ATOM 143 C VAL A 12 -5.351 2.396 6.958 1.00 0.24 C ATOM 144 O VAL A 12 -5.063 3.279 7.768 1.00 0.29 O ATOM 145 CB VAL A 12 -5.536 3.788 4.868 1.00 0.23 C ATOM 146 CG1 VAL A 12 -4.137 3.377 4.472 1.00 0.24 C ATOM 147 CG2 VAL A 12 -6.348 4.032 3.621 1.00 0.27 C ATOM 0 H VAL A 12 -7.529 3.982 6.764 1.00 0.23 H new ATOM 0 HA VAL A 12 -6.342 1.802 5.159 1.00 0.22 H new ATOM 0 HB VAL A 12 -5.477 4.703 5.458 1.00 0.23 H new ATOM 0 HG11 VAL A 12 -3.690 4.155 3.853 1.00 0.24 H new ATOM 0 HG12 VAL A 12 -3.533 3.234 5.368 1.00 0.24 H new ATOM 0 HG13 VAL A 12 -4.177 2.445 3.909 1.00 0.24 H new ATOM 0 HG21 VAL A 12 -5.858 4.790 3.010 1.00 0.27 H new ATOM 0 HG22 VAL A 12 -6.429 3.105 3.053 1.00 0.27 H new ATOM 0 HG23 VAL A 12 -7.344 4.377 3.897 1.00 0.27 H new ATOM 157 N GLN A 13 -4.983 1.152 7.101 1.00 0.24 N ATOM 158 CA GLN A 13 -4.133 0.736 8.179 1.00 0.29 C ATOM 159 C GLN A 13 -2.860 0.119 7.629 1.00 0.26 C ATOM 160 O GLN A 13 -2.909 -0.853 6.865 1.00 0.32 O ATOM 161 CB GLN A 13 -4.849 -0.255 9.102 1.00 0.40 C ATOM 162 CG GLN A 13 -6.106 0.297 9.774 1.00 0.68 C ATOM 163 CD GLN A 13 -5.843 1.543 10.605 1.00 1.43 C ATOM 164 OE1 GLN A 13 -4.750 1.734 11.146 1.00 2.18 O ATOM 165 NE2 GLN A 13 -6.833 2.373 10.737 1.00 2.06 N ATOM 0 H GLN A 13 -5.265 0.399 6.473 1.00 0.24 H new ATOM 0 HA GLN A 13 -3.878 1.616 8.769 1.00 0.29 H new ATOM 0 HB2 GLN A 13 -5.120 -1.139 8.525 1.00 0.40 H new ATOM 0 HB3 GLN A 13 -4.152 -0.580 9.875 1.00 0.40 H new ATOM 0 HG2 GLN A 13 -6.847 0.528 9.009 1.00 0.68 H new ATOM 0 HG3 GLN A 13 -6.537 -0.474 10.413 1.00 0.68 H new ATOM 0 HE21 GLN A 13 -7.723 2.183 10.275 1.00 2.06 H new ATOM 0 HE22 GLN A 13 -6.721 3.215 11.302 1.00 2.06 H new ATOM 174 N LEU A 14 -1.741 0.685 8.005 1.00 0.28 N ATOM 175 CA LEU A 14 -0.439 0.220 7.562 1.00 0.25 C ATOM 176 C LEU A 14 0.257 -0.545 8.658 1.00 0.25 C ATOM 177 O LEU A 14 -0.048 -0.375 9.838 1.00 0.33 O ATOM 178 CB LEU A 14 0.419 1.393 7.060 1.00 0.24 C ATOM 179 CG LEU A 14 0.147 1.823 5.616 1.00 0.24 C ATOM 180 CD1 LEU A 14 0.685 3.205 5.361 1.00 0.23 C ATOM 181 CD2 LEU A 14 0.828 0.863 4.667 1.00 0.25 C ATOM 0 H LEU A 14 -1.701 1.488 8.632 1.00 0.28 H new ATOM 0 HA LEU A 14 -0.585 -0.463 6.725 1.00 0.25 H new ATOM 0 HB2 LEU A 14 0.256 2.249 7.715 1.00 0.24 H new ATOM 0 HB3 LEU A 14 1.470 1.119 7.150 1.00 0.24 H new ATOM 0 HG LEU A 14 -0.931 1.820 5.456 1.00 0.24 H new ATOM 0 HD11 LEU A 14 0.481 3.490 4.329 1.00 0.23 H new ATOM 0 HD12 LEU A 14 0.203 3.913 6.035 1.00 0.23 H new ATOM 0 HD13 LEU A 14 1.761 3.214 5.534 1.00 0.23 H new ATOM 0 HD21 LEU A 14 0.634 1.169 3.639 1.00 0.25 H new ATOM 0 HD22 LEU A 14 1.902 0.870 4.851 1.00 0.25 H new ATOM 0 HD23 LEU A 14 0.439 -0.143 4.826 1.00 0.25 H new ATOM 193 N HIS A 15 1.151 -1.410 8.270 1.00 0.21 N ATOM 194 CA HIS A 15 1.892 -2.242 9.189 1.00 0.24 C ATOM 195 C HIS A 15 3.351 -2.165 8.823 1.00 0.21 C ATOM 196 O HIS A 15 3.693 -1.919 7.663 1.00 0.22 O ATOM 197 CB HIS A 15 1.391 -3.705 9.138 1.00 0.34 C ATOM 198 CG HIS A 15 0.015 -3.915 9.727 1.00 0.54 C ATOM 199 ND1 HIS A 15 -0.200 -4.566 10.918 1.00 0.92 N ATOM 200 CD2 HIS A 15 -1.218 -3.556 9.281 1.00 0.62 C ATOM 201 CE1 HIS A 15 -1.488 -4.596 11.182 1.00 1.03 C ATOM 202 NE2 HIS A 15 -2.124 -3.989 10.208 1.00 0.83 N ATOM 0 H HIS A 15 1.393 -1.563 7.291 1.00 0.21 H new ATOM 0 HA HIS A 15 1.745 -1.886 10.209 1.00 0.24 H new ATOM 0 HB2 HIS A 15 1.383 -4.037 8.100 1.00 0.34 H new ATOM 0 HB3 HIS A 15 2.101 -4.338 9.670 1.00 0.34 H new ATOM 0 HD2 HIS A 15 -1.440 -3.028 8.366 1.00 0.62 H new ATOM 0 HE1 HIS A 15 -1.944 -5.044 12.052 1.00 1.03 H new ATOM 0 HE2 HIS A 15 -3.134 -3.861 10.152 1.00 0.83 H new ATOM 211 N THR A 16 4.188 -2.346 9.818 1.00 0.26 N ATOM 212 CA THR A 16 5.614 -2.193 9.699 1.00 0.29 C ATOM 213 C THR A 16 6.213 -3.231 8.743 1.00 0.25 C ATOM 214 O THR A 16 5.839 -4.416 8.772 1.00 0.27 O ATOM 215 CB THR A 16 6.229 -2.331 11.088 1.00 0.38 C ATOM 216 OG1 THR A 16 5.443 -1.533 12.002 1.00 0.49 O ATOM 217 CG2 THR A 16 7.670 -1.823 11.107 1.00 0.47 C ATOM 0 H THR A 16 3.885 -2.610 10.755 1.00 0.26 H new ATOM 0 HA THR A 16 5.836 -1.210 9.283 1.00 0.29 H new ATOM 0 HB THR A 16 6.233 -3.383 11.375 1.00 0.38 H new ATOM 0 HG1 THR A 16 5.817 -1.606 12.905 1.00 0.49 H new ATOM 0 HG21 THR A 16 8.082 -1.934 12.110 1.00 0.47 H new ATOM 0 HG22 THR A 16 8.269 -2.401 10.403 1.00 0.47 H new ATOM 0 HG23 THR A 16 7.689 -0.771 10.822 1.00 0.47 H new ATOM 225 N ALA A 17 7.108 -2.750 7.887 1.00 0.28 N ATOM 226 CA ALA A 17 7.782 -3.548 6.890 1.00 0.30 C ATOM 227 C ALA A 17 8.601 -4.647 7.527 1.00 0.35 C ATOM 228 O ALA A 17 9.396 -4.391 8.430 1.00 0.40 O ATOM 229 CB ALA A 17 8.683 -2.668 6.050 1.00 0.37 C ATOM 0 H ALA A 17 7.386 -1.769 7.874 1.00 0.28 H new ATOM 0 HA ALA A 17 7.022 -4.009 6.259 1.00 0.30 H new ATOM 0 HB1 ALA A 17 9.189 -3.276 5.300 1.00 0.37 H new ATOM 0 HB2 ALA A 17 8.085 -1.903 5.554 1.00 0.37 H new ATOM 0 HB3 ALA A 17 9.425 -2.191 6.690 1.00 0.37 H new ATOM 235 N VAL A 18 8.406 -5.844 7.065 1.00 0.38 N ATOM 236 CA VAL A 18 9.129 -6.976 7.576 1.00 0.48 C ATOM 237 C VAL A 18 10.376 -7.240 6.729 1.00 0.56 C ATOM 238 O VAL A 18 10.332 -7.150 5.488 1.00 0.52 O ATOM 239 CB VAL A 18 8.236 -8.250 7.653 1.00 0.54 C ATOM 240 CG1 VAL A 18 7.097 -8.035 8.633 1.00 0.57 C ATOM 241 CG2 VAL A 18 7.673 -8.618 6.288 1.00 0.52 C ATOM 0 H VAL A 18 7.742 -6.067 6.323 1.00 0.38 H new ATOM 0 HA VAL A 18 9.439 -6.736 8.593 1.00 0.48 H new ATOM 0 HB VAL A 18 8.863 -9.072 7.998 1.00 0.54 H new ATOM 0 HG11 VAL A 18 6.481 -8.933 8.677 1.00 0.57 H new ATOM 0 HG12 VAL A 18 7.503 -7.825 9.622 1.00 0.57 H new ATOM 0 HG13 VAL A 18 6.488 -7.193 8.304 1.00 0.57 H new ATOM 0 HG21 VAL A 18 7.055 -9.511 6.378 1.00 0.52 H new ATOM 0 HG22 VAL A 18 7.067 -7.794 5.910 1.00 0.52 H new ATOM 0 HG23 VAL A 18 8.493 -8.812 5.597 1.00 0.52 H new ATOM 251 N GLU A 19 11.477 -7.518 7.387 1.00 0.72 N ATOM 252 CA GLU A 19 12.724 -7.781 6.708 1.00 0.84 C ATOM 253 C GLU A 19 12.850 -9.249 6.343 1.00 0.84 C ATOM 254 O GLU A 19 12.650 -10.135 7.186 1.00 0.96 O ATOM 255 CB GLU A 19 13.920 -7.334 7.548 1.00 1.06 C ATOM 256 CG GLU A 19 15.257 -7.619 6.882 1.00 1.72 C ATOM 257 CD GLU A 19 16.424 -7.123 7.670 1.00 2.02 C ATOM 258 OE1 GLU A 19 16.762 -7.730 8.684 1.00 2.52 O ATOM 259 OE2 GLU A 19 17.029 -6.110 7.285 1.00 2.38 O ATOM 0 H GLU A 19 11.534 -7.568 8.404 1.00 0.72 H new ATOM 0 HA GLU A 19 12.722 -7.199 5.787 1.00 0.84 H new ATOM 0 HB2 GLU A 19 13.839 -6.265 7.744 1.00 1.06 H new ATOM 0 HB3 GLU A 19 13.887 -7.839 8.514 1.00 1.06 H new ATOM 0 HG2 GLU A 19 15.359 -8.694 6.731 1.00 1.72 H new ATOM 0 HG3 GLU A 19 15.270 -7.156 5.895 1.00 1.72 H new ATOM 266 N MET A 20 13.173 -9.487 5.091 1.00 0.79 N ATOM 267 CA MET A 20 13.368 -10.803 4.507 1.00 0.84 C ATOM 268 C MET A 20 13.803 -10.588 3.069 1.00 0.81 C ATOM 269 O MET A 20 14.146 -9.455 2.723 1.00 0.84 O ATOM 270 CB MET A 20 12.086 -11.666 4.597 1.00 0.88 C ATOM 271 CG MET A 20 10.841 -11.016 4.032 1.00 0.88 C ATOM 272 SD MET A 20 9.378 -12.046 4.205 1.00 0.88 S ATOM 273 CE MET A 20 8.157 -10.964 3.505 1.00 0.58 C ATOM 0 H MET A 20 13.314 -8.734 4.417 1.00 0.79 H new ATOM 0 HA MET A 20 14.130 -11.356 5.057 1.00 0.84 H new ATOM 0 HB2 MET A 20 12.259 -12.605 4.071 1.00 0.88 H new ATOM 0 HB3 MET A 20 11.906 -11.915 5.643 1.00 0.88 H new ATOM 0 HG2 MET A 20 10.672 -10.065 4.537 1.00 0.88 H new ATOM 0 HG3 MET A 20 11.000 -10.793 2.977 1.00 0.88 H new ATOM 0 HE1 MET A 20 7.228 -11.051 4.068 1.00 0.58 H new ATOM 0 HE2 MET A 20 8.514 -9.935 3.550 1.00 0.58 H new ATOM 0 HE3 MET A 20 7.979 -11.241 2.466 1.00 0.58 H new ATOM 283 N HIS A 21 13.792 -11.635 2.235 1.00 0.92 N ATOM 284 CA HIS A 21 14.236 -11.517 0.824 1.00 1.01 C ATOM 285 C HIS A 21 13.492 -10.427 0.059 1.00 0.82 C ATOM 286 O HIS A 21 14.077 -9.719 -0.756 1.00 0.95 O ATOM 287 CB HIS A 21 14.176 -12.863 0.079 1.00 1.24 C ATOM 288 CG HIS A 21 15.346 -13.769 0.358 1.00 1.65 C ATOM 289 ND1 HIS A 21 15.976 -14.501 -0.616 1.00 2.31 N ATOM 290 CD2 HIS A 21 16.003 -14.051 1.506 1.00 2.19 C ATOM 291 CE1 HIS A 21 16.963 -15.187 -0.086 1.00 2.75 C ATOM 292 NE2 HIS A 21 17.003 -14.933 1.201 1.00 2.66 N ATOM 0 H HIS A 21 13.485 -12.570 2.502 1.00 0.92 H new ATOM 0 HA HIS A 21 15.282 -11.214 0.868 1.00 1.01 H new ATOM 0 HB2 HIS A 21 13.256 -13.379 0.355 1.00 1.24 H new ATOM 0 HB3 HIS A 21 14.125 -12.672 -0.993 1.00 1.24 H new ATOM 0 HD2 HIS A 21 15.779 -13.653 2.485 1.00 2.19 H new ATOM 0 HE1 HIS A 21 17.629 -15.849 -0.620 1.00 2.75 H new ATOM 0 HE2 HIS A 21 17.670 -15.328 1.864 1.00 2.66 H new ATOM 301 N HIS A 22 12.225 -10.295 0.314 1.00 0.67 N ATOM 302 CA HIS A 22 11.443 -9.233 -0.266 1.00 0.59 C ATOM 303 C HIS A 22 10.849 -8.425 0.854 1.00 0.49 C ATOM 304 O HIS A 22 10.306 -8.989 1.794 1.00 0.57 O ATOM 305 CB HIS A 22 10.331 -9.773 -1.188 1.00 0.76 C ATOM 306 CG HIS A 22 10.836 -10.478 -2.414 1.00 1.13 C ATOM 307 ND1 HIS A 22 10.311 -11.659 -2.886 1.00 1.52 N ATOM 308 CD2 HIS A 22 11.804 -10.131 -3.289 1.00 2.11 C ATOM 309 CE1 HIS A 22 10.933 -12.003 -3.989 1.00 2.06 C ATOM 310 NE2 HIS A 22 11.843 -11.095 -4.260 1.00 2.46 N ATOM 0 H HIS A 22 11.700 -10.917 0.929 1.00 0.67 H new ATOM 0 HA HIS A 22 12.090 -8.613 -0.886 1.00 0.59 H new ATOM 0 HB2 HIS A 22 9.705 -10.461 -0.619 1.00 0.76 H new ATOM 0 HB3 HIS A 22 9.695 -8.943 -1.496 1.00 0.76 H new ATOM 0 HD2 HIS A 22 12.432 -9.254 -3.233 1.00 2.11 H new ATOM 0 HE1 HIS A 22 10.730 -12.886 -4.577 1.00 2.06 H new ATOM 0 HE2 HIS A 22 12.474 -11.106 -5.061 1.00 2.46 H new ATOM 319 N TRP A 23 10.953 -7.127 0.771 1.00 0.41 N ATOM 320 CA TRP A 23 10.429 -6.273 1.813 1.00 0.36 C ATOM 321 C TRP A 23 8.957 -6.080 1.611 1.00 0.32 C ATOM 322 O TRP A 23 8.525 -5.584 0.572 1.00 0.44 O ATOM 323 CB TRP A 23 11.138 -4.923 1.835 1.00 0.43 C ATOM 324 CG TRP A 23 12.531 -4.959 2.393 1.00 0.47 C ATOM 325 CD1 TRP A 23 13.673 -5.344 1.758 1.00 0.52 C ATOM 326 CD2 TRP A 23 12.921 -4.559 3.713 1.00 0.56 C ATOM 327 NE1 TRP A 23 14.748 -5.206 2.604 1.00 0.57 N ATOM 328 CE2 TRP A 23 14.310 -4.725 3.809 1.00 0.60 C ATOM 329 CE3 TRP A 23 12.225 -4.072 4.821 1.00 0.70 C ATOM 330 CZ2 TRP A 23 15.017 -4.423 4.971 1.00 0.73 C ATOM 331 CZ3 TRP A 23 12.924 -3.774 5.972 1.00 0.85 C ATOM 332 CH2 TRP A 23 14.310 -3.949 6.039 1.00 0.86 C ATOM 0 H TRP A 23 11.395 -6.633 -0.005 1.00 0.41 H new ATOM 0 HA TRP A 23 10.606 -6.756 2.774 1.00 0.36 H new ATOM 0 HB2 TRP A 23 11.178 -4.531 0.819 1.00 0.43 H new ATOM 0 HB3 TRP A 23 10.543 -4.224 2.423 1.00 0.43 H new ATOM 0 HD1 TRP A 23 13.726 -5.704 0.741 1.00 0.52 H new ATOM 0 HE1 TRP A 23 15.716 -5.427 2.371 1.00 0.57 H new ATOM 0 HE3 TRP A 23 11.155 -3.931 4.777 1.00 0.70 H new ATOM 0 HZ2 TRP A 23 16.087 -4.559 5.025 1.00 0.73 H new ATOM 0 HZ3 TRP A 23 12.393 -3.400 6.835 1.00 0.85 H new ATOM 0 HH2 TRP A 23 14.831 -3.705 6.953 1.00 0.86 H new ATOM 343 N CYS A 24 8.198 -6.496 2.579 1.00 0.27 N ATOM 344 CA CYS A 24 6.771 -6.436 2.493 1.00 0.25 C ATOM 345 C CYS A 24 6.222 -5.449 3.507 1.00 0.23 C ATOM 346 O CYS A 24 6.472 -5.580 4.718 1.00 0.25 O ATOM 347 CB CYS A 24 6.169 -7.842 2.723 1.00 0.28 C ATOM 348 SG CYS A 24 4.342 -7.963 2.562 1.00 0.30 S ATOM 0 H CYS A 24 8.552 -6.887 3.452 1.00 0.27 H new ATOM 0 HA CYS A 24 6.491 -6.094 1.497 1.00 0.25 H new ATOM 0 HB2 CYS A 24 6.624 -8.533 2.013 1.00 0.28 H new ATOM 0 HB3 CYS A 24 6.450 -8.179 3.721 1.00 0.28 H new ATOM 353 N ILE A 25 5.549 -4.430 3.003 1.00 0.20 N ATOM 354 CA ILE A 25 4.816 -3.490 3.823 1.00 0.19 C ATOM 355 C ILE A 25 3.327 -3.841 3.678 1.00 0.18 C ATOM 356 O ILE A 25 2.691 -3.460 2.682 1.00 0.18 O ATOM 357 CB ILE A 25 5.032 -2.019 3.360 1.00 0.21 C ATOM 358 CG1 ILE A 25 6.532 -1.694 3.304 1.00 0.25 C ATOM 359 CG2 ILE A 25 4.305 -1.056 4.304 1.00 0.22 C ATOM 360 CD1 ILE A 25 6.858 -0.266 2.904 1.00 0.30 C ATOM 0 H ILE A 25 5.497 -4.232 2.004 1.00 0.20 H new ATOM 0 HA ILE A 25 5.164 -3.562 4.853 1.00 0.19 H new ATOM 0 HB ILE A 25 4.617 -1.900 2.359 1.00 0.21 H new ATOM 0 HG12 ILE A 25 6.969 -1.891 4.283 1.00 0.25 H new ATOM 0 HG13 ILE A 25 7.011 -2.373 2.598 1.00 0.25 H new ATOM 0 HG21 ILE A 25 4.463 -0.031 3.970 1.00 0.22 H new ATOM 0 HG22 ILE A 25 3.238 -1.278 4.300 1.00 0.22 H new ATOM 0 HG23 ILE A 25 4.696 -1.173 5.315 1.00 0.22 H new ATOM 0 HD11 ILE A 25 7.939 -0.129 2.892 1.00 0.30 H new ATOM 0 HD12 ILE A 25 6.455 -0.065 1.911 1.00 0.30 H new ATOM 0 HD13 ILE A 25 6.413 0.423 3.622 1.00 0.30 H new ATOM 372 N PRO A 26 2.770 -4.620 4.612 1.00 0.20 N ATOM 373 CA PRO A 26 1.385 -5.067 4.539 1.00 0.21 C ATOM 374 C PRO A 26 0.394 -3.998 5.002 1.00 0.21 C ATOM 375 O PRO A 26 0.649 -3.258 5.971 1.00 0.23 O ATOM 376 CB PRO A 26 1.339 -6.280 5.489 1.00 0.25 C ATOM 377 CG PRO A 26 2.730 -6.432 6.034 1.00 0.28 C ATOM 378 CD PRO A 26 3.424 -5.125 5.817 1.00 0.24 C ATOM 0 HA PRO A 26 1.097 -5.298 3.514 1.00 0.21 H new ATOM 0 HB2 PRO A 26 0.621 -6.119 6.293 1.00 0.25 H new ATOM 0 HB3 PRO A 26 1.027 -7.180 4.958 1.00 0.25 H new ATOM 0 HG2 PRO A 26 2.704 -6.685 7.094 1.00 0.28 H new ATOM 0 HG3 PRO A 26 3.258 -7.239 5.526 1.00 0.28 H new ATOM 0 HD2 PRO A 26 3.294 -4.450 6.663 1.00 0.24 H new ATOM 0 HD3 PRO A 26 4.497 -5.253 5.674 1.00 0.24 H new ATOM 386 N PHE A 27 -0.728 -3.918 4.323 1.00 0.23 N ATOM 387 CA PHE A 27 -1.749 -2.963 4.659 1.00 0.25 C ATOM 388 C PHE A 27 -3.129 -3.517 4.399 1.00 0.25 C ATOM 389 O PHE A 27 -3.310 -4.435 3.576 1.00 0.30 O ATOM 390 CB PHE A 27 -1.562 -1.648 3.880 1.00 0.27 C ATOM 391 CG PHE A 27 -1.575 -1.786 2.379 1.00 0.28 C ATOM 392 CD1 PHE A 27 -2.762 -1.703 1.669 1.00 0.29 C ATOM 393 CD2 PHE A 27 -0.403 -1.991 1.684 1.00 0.32 C ATOM 394 CE1 PHE A 27 -2.775 -1.831 0.311 1.00 0.34 C ATOM 395 CE2 PHE A 27 -0.414 -2.117 0.319 1.00 0.36 C ATOM 396 CZ PHE A 27 -1.605 -2.035 -0.368 1.00 0.37 C ATOM 0 H PHE A 27 -0.954 -4.513 3.526 1.00 0.23 H new ATOM 0 HA PHE A 27 -1.652 -2.756 5.725 1.00 0.25 H new ATOM 0 HB2 PHE A 27 -2.351 -0.955 4.172 1.00 0.27 H new ATOM 0 HB3 PHE A 27 -0.616 -1.198 4.180 1.00 0.27 H new ATOM 0 HD1 PHE A 27 -3.689 -1.535 2.198 1.00 0.29 H new ATOM 0 HD2 PHE A 27 0.533 -2.053 2.220 1.00 0.32 H new ATOM 0 HE1 PHE A 27 -3.709 -1.771 -0.228 1.00 0.34 H new ATOM 0 HE2 PHE A 27 0.509 -2.280 -0.217 1.00 0.36 H new ATOM 0 HZ PHE A 27 -1.615 -2.132 -1.444 1.00 0.37 H new ATOM 406 N SER A 28 -4.081 -2.960 5.080 1.00 0.25 N ATOM 407 CA SER A 28 -5.451 -3.290 4.901 1.00 0.28 C ATOM 408 C SER A 28 -6.242 -2.005 4.702 1.00 0.24 C ATOM 409 O SER A 28 -6.174 -1.069 5.525 1.00 0.27 O ATOM 410 CB SER A 28 -5.981 -4.094 6.091 1.00 0.41 C ATOM 411 OG SER A 28 -5.255 -5.315 6.249 1.00 0.88 O ATOM 0 H SER A 28 -3.918 -2.247 5.791 1.00 0.25 H new ATOM 0 HA SER A 28 -5.564 -3.920 4.019 1.00 0.28 H new ATOM 0 HB2 SER A 28 -5.901 -3.499 7.001 1.00 0.41 H new ATOM 0 HB3 SER A 28 -7.039 -4.312 5.945 1.00 0.41 H new ATOM 0 HG SER A 28 -5.686 -6.022 5.725 1.00 0.88 H new ATOM 417 N VAL A 29 -6.932 -1.945 3.610 1.00 0.23 N ATOM 418 CA VAL A 29 -7.734 -0.816 3.239 1.00 0.21 C ATOM 419 C VAL A 29 -9.173 -1.272 3.046 1.00 0.21 C ATOM 420 O VAL A 29 -9.483 -2.042 2.142 1.00 0.27 O ATOM 421 CB VAL A 29 -7.149 -0.069 1.974 1.00 0.22 C ATOM 422 CG1 VAL A 29 -6.688 -1.050 0.914 1.00 0.25 C ATOM 423 CG2 VAL A 29 -8.178 0.868 1.363 1.00 0.26 C ATOM 0 H VAL A 29 -6.956 -2.702 2.927 1.00 0.23 H new ATOM 0 HA VAL A 29 -7.715 -0.078 4.041 1.00 0.21 H new ATOM 0 HB VAL A 29 -6.293 0.510 2.321 1.00 0.22 H new ATOM 0 HG11 VAL A 29 -6.292 -0.502 0.059 1.00 0.25 H new ATOM 0 HG12 VAL A 29 -5.909 -1.692 1.326 1.00 0.25 H new ATOM 0 HG13 VAL A 29 -7.531 -1.662 0.594 1.00 0.25 H new ATOM 0 HG21 VAL A 29 -7.746 1.367 0.495 1.00 0.26 H new ATOM 0 HG22 VAL A 29 -9.053 0.296 1.054 1.00 0.26 H new ATOM 0 HG23 VAL A 29 -8.474 1.614 2.100 1.00 0.26 H new ATOM 433 N ASP A 30 -10.017 -0.861 3.930 1.00 0.27 N ATOM 434 CA ASP A 30 -11.405 -1.271 3.895 1.00 0.35 C ATOM 435 C ASP A 30 -12.290 -0.156 3.445 1.00 0.37 C ATOM 436 O ASP A 30 -11.939 1.022 3.587 1.00 0.48 O ATOM 437 CB ASP A 30 -11.883 -1.836 5.244 1.00 0.51 C ATOM 438 CG ASP A 30 -11.718 -0.891 6.406 1.00 0.80 C ATOM 439 OD1 ASP A 30 -10.653 -0.903 7.072 1.00 1.39 O ATOM 440 OD2 ASP A 30 -12.646 -0.081 6.655 1.00 1.30 O ATOM 0 H ASP A 30 -9.780 -0.234 4.699 1.00 0.27 H new ATOM 0 HA ASP A 30 -11.472 -2.078 3.165 1.00 0.35 H new ATOM 0 HB2 ASP A 30 -12.935 -2.108 5.158 1.00 0.51 H new ATOM 0 HB3 ASP A 30 -11.333 -2.753 5.456 1.00 0.51 H new ATOM 445 N GLY A 31 -13.399 -0.534 2.864 1.00 0.37 N ATOM 446 CA GLY A 31 -14.372 0.389 2.376 1.00 0.42 C ATOM 447 C GLY A 31 -15.295 -0.317 1.434 1.00 0.46 C ATOM 448 O GLY A 31 -14.944 -1.377 0.920 1.00 0.60 O ATOM 0 H GLY A 31 -13.649 -1.512 2.717 1.00 0.37 H new ATOM 0 HA2 GLY A 31 -14.936 0.813 3.207 1.00 0.42 H new ATOM 0 HA3 GLY A 31 -13.880 1.219 1.868 1.00 0.42 H new ATOM 452 N GLN A 32 -16.475 0.215 1.222 1.00 0.55 N ATOM 453 CA GLN A 32 -17.395 -0.412 0.293 1.00 0.64 C ATOM 454 C GLN A 32 -17.092 0.054 -1.142 1.00 0.61 C ATOM 455 O GLN A 32 -16.951 -0.786 -2.035 1.00 0.68 O ATOM 456 CB GLN A 32 -18.882 -0.276 0.743 1.00 0.76 C ATOM 457 CG GLN A 32 -19.904 -1.045 -0.107 1.00 0.99 C ATOM 458 CD GLN A 32 -20.305 -0.341 -1.391 1.00 1.82 C ATOM 459 OE1 GLN A 32 -20.344 0.889 -1.457 1.00 2.42 O ATOM 460 NE2 GLN A 32 -20.603 -1.101 -2.403 1.00 2.61 N ATOM 0 H GLN A 32 -16.820 1.065 1.669 1.00 0.55 H new ATOM 0 HA GLN A 32 -17.235 -1.490 0.297 1.00 0.64 H new ATOM 0 HB2 GLN A 32 -18.964 -0.618 1.775 1.00 0.76 H new ATOM 0 HB3 GLN A 32 -19.150 0.780 0.735 1.00 0.76 H new ATOM 0 HG2 GLN A 32 -19.490 -2.022 -0.356 1.00 0.99 H new ATOM 0 HG3 GLN A 32 -20.798 -1.221 0.492 1.00 0.99 H new ATOM 0 HE21 GLN A 32 -20.559 -2.116 -2.309 1.00 2.61 H new ATOM 0 HE22 GLN A 32 -20.881 -0.682 -3.291 1.00 2.61 H new ATOM 469 N PRO A 33 -16.986 1.384 -1.421 1.00 0.59 N ATOM 470 CA PRO A 33 -16.469 1.824 -2.694 1.00 0.62 C ATOM 471 C PRO A 33 -14.960 1.580 -2.689 1.00 0.53 C ATOM 472 O PRO A 33 -14.287 1.878 -1.690 1.00 0.44 O ATOM 473 CB PRO A 33 -16.768 3.338 -2.730 1.00 0.67 C ATOM 474 CG PRO A 33 -17.684 3.593 -1.582 1.00 0.78 C ATOM 475 CD PRO A 33 -17.391 2.528 -0.579 1.00 0.63 C ATOM 0 HA PRO A 33 -16.902 1.310 -3.552 1.00 0.62 H new ATOM 0 HB2 PRO A 33 -15.852 3.921 -2.637 1.00 0.67 H new ATOM 0 HB3 PRO A 33 -17.233 3.623 -3.674 1.00 0.67 H new ATOM 0 HG2 PRO A 33 -17.515 4.584 -1.160 1.00 0.78 H new ATOM 0 HG3 PRO A 33 -18.726 3.555 -1.898 1.00 0.78 H new ATOM 0 HD2 PRO A 33 -16.598 2.826 0.106 1.00 0.63 H new ATOM 0 HD3 PRO A 33 -18.265 2.293 0.028 1.00 0.63 H new ATOM 483 N ALA A 34 -14.440 1.035 -3.753 1.00 0.62 N ATOM 484 CA ALA A 34 -13.038 0.718 -3.829 1.00 0.60 C ATOM 485 C ALA A 34 -12.221 1.987 -4.057 1.00 0.52 C ATOM 486 O ALA A 34 -12.394 2.673 -5.065 1.00 0.63 O ATOM 487 CB ALA A 34 -12.788 -0.311 -4.918 1.00 0.78 C ATOM 0 H ALA A 34 -14.972 0.798 -4.590 1.00 0.62 H new ATOM 0 HA ALA A 34 -12.719 0.282 -2.882 1.00 0.60 H new ATOM 0 HB1 ALA A 34 -11.724 -0.541 -4.964 1.00 0.78 H new ATOM 0 HB2 ALA A 34 -13.346 -1.220 -4.695 1.00 0.78 H new ATOM 0 HB3 ALA A 34 -13.115 0.089 -5.878 1.00 0.78 H new ATOM 493 N PRO A 35 -11.349 2.343 -3.106 1.00 0.39 N ATOM 494 CA PRO A 35 -10.549 3.554 -3.195 1.00 0.35 C ATOM 495 C PRO A 35 -9.292 3.369 -4.038 1.00 0.41 C ATOM 496 O PRO A 35 -8.775 2.250 -4.178 1.00 0.56 O ATOM 497 CB PRO A 35 -10.161 3.794 -1.742 1.00 0.29 C ATOM 498 CG PRO A 35 -10.025 2.430 -1.166 1.00 0.31 C ATOM 499 CD PRO A 35 -11.072 1.589 -1.852 1.00 0.37 C ATOM 0 HA PRO A 35 -11.092 4.371 -3.670 1.00 0.35 H new ATOM 0 HB2 PRO A 35 -9.228 4.352 -1.667 1.00 0.29 H new ATOM 0 HB3 PRO A 35 -10.922 4.373 -1.218 1.00 0.29 H new ATOM 0 HG2 PRO A 35 -9.026 2.030 -1.340 1.00 0.31 H new ATOM 0 HG3 PRO A 35 -10.180 2.444 -0.087 1.00 0.31 H new ATOM 0 HD2 PRO A 35 -10.707 0.583 -2.060 1.00 0.37 H new ATOM 0 HD3 PRO A 35 -11.968 1.483 -1.240 1.00 0.37 H new ATOM 507 N SER A 36 -8.812 4.454 -4.589 1.00 0.39 N ATOM 508 CA SER A 36 -7.592 4.442 -5.342 1.00 0.44 C ATOM 509 C SER A 36 -6.439 4.554 -4.359 1.00 0.37 C ATOM 510 O SER A 36 -6.423 5.462 -3.519 1.00 0.41 O ATOM 511 CB SER A 36 -7.574 5.612 -6.346 1.00 0.57 C ATOM 512 OG SER A 36 -6.398 5.606 -7.146 1.00 1.37 O ATOM 0 H SER A 36 -9.258 5.369 -4.526 1.00 0.39 H new ATOM 0 HA SER A 36 -7.504 3.518 -5.914 1.00 0.44 H new ATOM 0 HB2 SER A 36 -8.451 5.551 -6.990 1.00 0.57 H new ATOM 0 HB3 SER A 36 -7.640 6.556 -5.805 1.00 0.57 H new ATOM 0 HG SER A 36 -6.423 6.361 -7.771 1.00 1.37 H new ATOM 518 N LEU A 37 -5.521 3.617 -4.424 1.00 0.33 N ATOM 519 CA LEU A 37 -4.375 3.607 -3.545 1.00 0.30 C ATOM 520 C LEU A 37 -3.204 4.294 -4.212 1.00 0.32 C ATOM 521 O LEU A 37 -2.881 4.015 -5.386 1.00 0.50 O ATOM 522 CB LEU A 37 -3.995 2.178 -3.146 1.00 0.32 C ATOM 523 CG LEU A 37 -5.028 1.402 -2.327 1.00 0.32 C ATOM 524 CD1 LEU A 37 -4.539 -0.007 -2.080 1.00 0.43 C ATOM 525 CD2 LEU A 37 -5.282 2.103 -1.000 1.00 0.27 C ATOM 0 H LEU A 37 -5.548 2.842 -5.086 1.00 0.33 H new ATOM 0 HA LEU A 37 -4.638 4.150 -2.637 1.00 0.30 H new ATOM 0 HB2 LEU A 37 -3.786 1.614 -4.055 1.00 0.32 H new ATOM 0 HB3 LEU A 37 -3.067 2.218 -2.575 1.00 0.32 H new ATOM 0 HG LEU A 37 -5.962 1.362 -2.888 1.00 0.32 H new ATOM 0 HD11 LEU A 37 -5.281 -0.552 -1.496 1.00 0.43 H new ATOM 0 HD12 LEU A 37 -4.386 -0.511 -3.034 1.00 0.43 H new ATOM 0 HD13 LEU A 37 -3.598 0.025 -1.531 1.00 0.43 H new ATOM 0 HD21 LEU A 37 -6.019 1.541 -0.427 1.00 0.27 H new ATOM 0 HD22 LEU A 37 -4.351 2.162 -0.436 1.00 0.27 H new ATOM 0 HD23 LEU A 37 -5.658 3.109 -1.186 1.00 0.27 H new ATOM 537 N ARG A 38 -2.597 5.190 -3.490 1.00 0.23 N ATOM 538 CA ARG A 38 -1.474 5.954 -3.967 1.00 0.23 C ATOM 539 C ARG A 38 -0.405 6.010 -2.896 1.00 0.22 C ATOM 540 O ARG A 38 -0.713 6.217 -1.722 1.00 0.26 O ATOM 541 CB ARG A 38 -1.939 7.367 -4.332 1.00 0.28 C ATOM 542 CG ARG A 38 -0.838 8.311 -4.784 1.00 0.33 C ATOM 543 CD ARG A 38 -1.397 9.680 -5.122 1.00 1.28 C ATOM 544 NE ARG A 38 -2.364 9.629 -6.223 1.00 1.98 N ATOM 545 CZ ARG A 38 -2.726 10.669 -6.975 1.00 3.10 C ATOM 546 NH1 ARG A 38 -2.280 11.894 -6.689 1.00 3.72 N ATOM 547 NH2 ARG A 38 -3.567 10.489 -7.986 1.00 3.78 N ATOM 0 H ARG A 38 -2.872 5.417 -2.534 1.00 0.23 H new ATOM 0 HA ARG A 38 -1.055 5.479 -4.854 1.00 0.23 H new ATOM 0 HB2 ARG A 38 -2.683 7.294 -5.126 1.00 0.28 H new ATOM 0 HB3 ARG A 38 -2.438 7.803 -3.467 1.00 0.28 H new ATOM 0 HG2 ARG A 38 -0.089 8.405 -3.997 1.00 0.33 H new ATOM 0 HG3 ARG A 38 -0.334 7.895 -5.656 1.00 0.33 H new ATOM 0 HD2 ARG A 38 -1.877 10.102 -4.239 1.00 1.28 H new ATOM 0 HD3 ARG A 38 -0.579 10.348 -5.391 1.00 1.28 H new ATOM 0 HE ARG A 38 -2.793 8.727 -6.430 1.00 1.98 H new ATOM 0 HH11 ARG A 38 -1.659 12.038 -5.892 1.00 3.72 H new ATOM 0 HH12 ARG A 38 -2.560 12.686 -7.267 1.00 3.72 H new ATOM 0 HH21 ARG A 38 -3.934 9.558 -8.185 1.00 3.78 H new ATOM 0 HH22 ARG A 38 -3.847 11.282 -8.564 1.00 3.78 H new ATOM 561 N TRP A 39 0.827 5.801 -3.288 1.00 0.22 N ATOM 562 CA TRP A 39 1.927 5.877 -2.365 1.00 0.22 C ATOM 563 C TRP A 39 2.565 7.235 -2.417 1.00 0.20 C ATOM 564 O TRP A 39 2.827 7.779 -3.495 1.00 0.26 O ATOM 565 CB TRP A 39 2.978 4.802 -2.631 1.00 0.25 C ATOM 566 CG TRP A 39 2.503 3.424 -2.340 1.00 0.25 C ATOM 567 CD1 TRP A 39 2.090 2.489 -3.239 1.00 0.29 C ATOM 568 CD2 TRP A 39 2.385 2.824 -1.047 1.00 0.24 C ATOM 569 NE1 TRP A 39 1.731 1.341 -2.585 1.00 0.29 N ATOM 570 CE2 TRP A 39 1.901 1.521 -1.237 1.00 0.26 C ATOM 571 CE3 TRP A 39 2.650 3.265 0.257 1.00 0.25 C ATOM 572 CZ2 TRP A 39 1.673 0.653 -0.178 1.00 0.26 C ATOM 573 CZ3 TRP A 39 2.421 2.401 1.308 1.00 0.26 C ATOM 574 CH2 TRP A 39 1.937 1.109 1.084 1.00 0.26 C ATOM 0 H TRP A 39 1.092 5.576 -4.247 1.00 0.22 H new ATOM 0 HA TRP A 39 1.519 5.704 -1.369 1.00 0.22 H new ATOM 0 HB2 TRP A 39 3.288 4.858 -3.675 1.00 0.25 H new ATOM 0 HB3 TRP A 39 3.860 5.009 -2.025 1.00 0.25 H new ATOM 0 HD1 TRP A 39 2.051 2.632 -4.309 1.00 0.29 H new ATOM 0 HE1 TRP A 39 1.391 0.488 -3.030 1.00 0.29 H new ATOM 0 HE3 TRP A 39 3.026 4.262 0.435 1.00 0.25 H new ATOM 0 HZ2 TRP A 39 1.300 -0.347 -0.345 1.00 0.26 H new ATOM 0 HZ3 TRP A 39 2.619 2.728 2.318 1.00 0.26 H new ATOM 0 HH2 TRP A 39 1.768 0.456 1.927 1.00 0.26 H new ATOM 585 N LEU A 40 2.775 7.790 -1.281 1.00 0.25 N ATOM 586 CA LEU A 40 3.429 9.042 -1.167 1.00 0.24 C ATOM 587 C LEU A 40 4.671 8.802 -0.342 1.00 0.27 C ATOM 588 O LEU A 40 4.598 8.250 0.751 1.00 0.34 O ATOM 589 CB LEU A 40 2.508 10.009 -0.448 1.00 0.31 C ATOM 590 CG LEU A 40 2.839 11.485 -0.495 1.00 0.49 C ATOM 591 CD1 LEU A 40 2.546 12.040 -1.872 1.00 0.66 C ATOM 592 CD2 LEU A 40 2.055 12.235 0.566 1.00 0.95 C ATOM 0 H LEU A 40 2.493 7.382 -0.390 1.00 0.25 H new ATOM 0 HA LEU A 40 3.684 9.461 -2.140 1.00 0.24 H new ATOM 0 HB2 LEU A 40 1.506 9.880 -0.857 1.00 0.31 H new ATOM 0 HB3 LEU A 40 2.466 9.711 0.600 1.00 0.31 H new ATOM 0 HG LEU A 40 3.901 11.616 -0.289 1.00 0.49 H new ATOM 0 HD11 LEU A 40 2.788 13.103 -1.895 1.00 0.66 H new ATOM 0 HD12 LEU A 40 3.150 11.515 -2.612 1.00 0.66 H new ATOM 0 HD13 LEU A 40 1.489 11.903 -2.102 1.00 0.66 H new ATOM 0 HD21 LEU A 40 2.303 13.295 0.520 1.00 0.95 H new ATOM 0 HD22 LEU A 40 0.987 12.104 0.390 1.00 0.95 H new ATOM 0 HD23 LEU A 40 2.311 11.845 1.551 1.00 0.95 H new ATOM 604 N PHE A 41 5.771 9.198 -0.848 1.00 0.28 N ATOM 605 CA PHE A 41 7.024 9.003 -0.208 1.00 0.35 C ATOM 606 C PHE A 41 7.597 10.354 0.130 1.00 0.38 C ATOM 607 O PHE A 41 7.955 11.118 -0.761 1.00 0.41 O ATOM 608 CB PHE A 41 7.955 8.201 -1.133 1.00 0.45 C ATOM 609 CG PHE A 41 9.333 7.967 -0.591 1.00 0.58 C ATOM 610 CD1 PHE A 41 10.434 8.565 -1.171 1.00 0.75 C ATOM 611 CD2 PHE A 41 9.522 7.158 0.511 1.00 0.60 C ATOM 612 CE1 PHE A 41 11.694 8.355 -0.661 1.00 0.88 C ATOM 613 CE2 PHE A 41 10.782 6.943 1.026 1.00 0.74 C ATOM 614 CZ PHE A 41 11.890 7.527 0.380 1.00 0.86 C ATOM 0 H PHE A 41 5.835 9.681 -1.744 1.00 0.28 H new ATOM 0 HA PHE A 41 6.909 8.432 0.713 1.00 0.35 H new ATOM 0 HB2 PHE A 41 7.493 7.236 -1.341 1.00 0.45 H new ATOM 0 HB3 PHE A 41 8.039 8.726 -2.084 1.00 0.45 H new ATOM 0 HD1 PHE A 41 10.305 9.203 -2.033 1.00 0.75 H new ATOM 0 HD2 PHE A 41 8.669 6.686 0.977 1.00 0.60 H new ATOM 0 HE1 PHE A 41 12.538 8.863 -1.103 1.00 0.88 H new ATOM 0 HE2 PHE A 41 10.918 6.337 1.910 1.00 0.74 H new ATOM 0 HZ PHE A 41 12.892 7.310 0.720 1.00 0.86 H new ATOM 624 N ASN A 42 7.581 10.677 1.417 1.00 0.46 N ATOM 625 CA ASN A 42 8.118 11.952 1.950 1.00 0.57 C ATOM 626 C ASN A 42 7.380 13.178 1.406 1.00 0.53 C ATOM 627 O ASN A 42 7.901 14.298 1.439 1.00 0.69 O ATOM 628 CB ASN A 42 9.617 12.099 1.653 1.00 0.73 C ATOM 629 CG ASN A 42 10.495 11.084 2.339 1.00 1.12 C ATOM 630 OD1 ASN A 42 10.199 10.600 3.437 1.00 1.79 O ATOM 631 ND2 ASN A 42 11.581 10.752 1.707 1.00 1.72 N ATOM 0 H ASN A 42 7.195 10.066 2.137 1.00 0.46 H new ATOM 0 HA ASN A 42 7.961 11.909 3.028 1.00 0.57 H new ATOM 0 HB2 ASN A 42 9.770 12.024 0.576 1.00 0.73 H new ATOM 0 HB3 ASN A 42 9.937 13.097 1.951 1.00 0.73 H new ATOM 0 HD21 ASN A 42 12.221 10.071 2.116 1.00 1.72 H new ATOM 0 HD22 ASN A 42 11.793 11.172 0.802 1.00 1.72 H new ATOM 638 N GLY A 43 6.180 12.974 0.906 1.00 0.45 N ATOM 639 CA GLY A 43 5.418 14.079 0.364 1.00 0.51 C ATOM 640 C GLY A 43 5.409 14.080 -1.152 1.00 0.47 C ATOM 641 O GLY A 43 4.672 14.834 -1.775 1.00 0.61 O ATOM 0 H GLY A 43 5.716 12.067 0.863 1.00 0.45 H new ATOM 0 HA2 GLY A 43 4.393 14.026 0.732 1.00 0.51 H new ATOM 0 HA3 GLY A 43 5.838 15.018 0.724 1.00 0.51 H new ATOM 645 N SER A 44 6.213 13.228 -1.737 1.00 0.38 N ATOM 646 CA SER A 44 6.298 13.093 -3.175 1.00 0.40 C ATOM 647 C SER A 44 5.615 11.818 -3.599 1.00 0.33 C ATOM 648 O SER A 44 5.738 10.797 -2.943 1.00 0.28 O ATOM 649 CB SER A 44 7.764 13.074 -3.574 1.00 0.51 C ATOM 650 OG SER A 44 8.423 14.228 -3.079 1.00 1.37 O ATOM 0 H SER A 44 6.834 12.601 -1.226 1.00 0.38 H new ATOM 0 HA SER A 44 5.803 13.930 -3.667 1.00 0.40 H new ATOM 0 HB2 SER A 44 8.243 12.177 -3.182 1.00 0.51 H new ATOM 0 HB3 SER A 44 7.852 13.034 -4.660 1.00 0.51 H new ATOM 0 HG SER A 44 9.367 14.203 -3.341 1.00 1.37 H new ATOM 656 N VAL A 45 4.866 11.889 -4.669 1.00 0.41 N ATOM 657 CA VAL A 45 4.144 10.747 -5.164 1.00 0.41 C ATOM 658 C VAL A 45 5.112 9.682 -5.656 1.00 0.39 C ATOM 659 O VAL A 45 6.042 9.966 -6.436 1.00 0.45 O ATOM 660 CB VAL A 45 3.127 11.127 -6.282 1.00 0.55 C ATOM 661 CG1 VAL A 45 2.491 9.899 -6.872 1.00 0.68 C ATOM 662 CG2 VAL A 45 2.043 12.026 -5.735 1.00 0.70 C ATOM 0 H VAL A 45 4.740 12.738 -5.220 1.00 0.41 H new ATOM 0 HA VAL A 45 3.565 10.345 -4.333 1.00 0.41 H new ATOM 0 HB VAL A 45 3.679 11.654 -7.060 1.00 0.55 H new ATOM 0 HG11 VAL A 45 1.786 10.192 -7.650 1.00 0.68 H new ATOM 0 HG12 VAL A 45 3.262 9.261 -7.304 1.00 0.68 H new ATOM 0 HG13 VAL A 45 1.963 9.352 -6.091 1.00 0.68 H new ATOM 0 HG21 VAL A 45 1.344 12.279 -6.532 1.00 0.70 H new ATOM 0 HG22 VAL A 45 1.511 11.510 -4.936 1.00 0.70 H new ATOM 0 HG23 VAL A 45 2.491 12.939 -5.342 1.00 0.70 H new ATOM 672 N LEU A 46 4.926 8.491 -5.167 1.00 0.37 N ATOM 673 CA LEU A 46 5.730 7.378 -5.531 1.00 0.40 C ATOM 674 C LEU A 46 4.974 6.557 -6.547 1.00 0.44 C ATOM 675 O LEU A 46 3.978 5.911 -6.223 1.00 0.51 O ATOM 676 CB LEU A 46 6.057 6.534 -4.293 1.00 0.44 C ATOM 677 CG LEU A 46 6.928 5.294 -4.521 1.00 0.51 C ATOM 678 CD1 LEU A 46 8.308 5.680 -5.035 1.00 0.57 C ATOM 679 CD2 LEU A 46 7.042 4.491 -3.241 1.00 0.61 C ATOM 0 H LEU A 46 4.195 8.269 -4.491 1.00 0.37 H new ATOM 0 HA LEU A 46 6.671 7.721 -5.961 1.00 0.40 H new ATOM 0 HB2 LEU A 46 6.558 7.174 -3.567 1.00 0.44 H new ATOM 0 HB3 LEU A 46 5.118 6.213 -3.841 1.00 0.44 H new ATOM 0 HG LEU A 46 6.449 4.677 -5.281 1.00 0.51 H new ATOM 0 HD11 LEU A 46 8.904 4.780 -5.188 1.00 0.57 H new ATOM 0 HD12 LEU A 46 8.208 6.214 -5.980 1.00 0.57 H new ATOM 0 HD13 LEU A 46 8.801 6.323 -4.306 1.00 0.57 H new ATOM 0 HD21 LEU A 46 7.663 3.613 -3.417 1.00 0.61 H new ATOM 0 HD22 LEU A 46 7.495 5.107 -2.464 1.00 0.61 H new ATOM 0 HD23 LEU A 46 6.049 4.175 -2.920 1.00 0.61 H new ATOM 691 N ASN A 47 5.403 6.633 -7.768 1.00 0.54 N ATOM 692 CA ASN A 47 4.783 5.878 -8.825 1.00 0.59 C ATOM 693 C ASN A 47 5.460 4.520 -8.867 1.00 0.53 C ATOM 694 O ASN A 47 6.694 4.440 -9.012 1.00 0.64 O ATOM 695 CB ASN A 47 4.941 6.603 -10.171 1.00 0.79 C ATOM 696 CG ASN A 47 4.089 6.004 -11.291 1.00 1.54 C ATOM 697 OD1 ASN A 47 3.776 4.824 -11.304 1.00 2.47 O ATOM 698 ND2 ASN A 47 3.713 6.819 -12.237 1.00 1.94 N ATOM 0 H ASN A 47 6.187 7.214 -8.065 1.00 0.54 H new ATOM 0 HA ASN A 47 3.714 5.767 -8.641 1.00 0.59 H new ATOM 0 HB2 ASN A 47 4.673 7.652 -10.043 1.00 0.79 H new ATOM 0 HB3 ASN A 47 5.989 6.575 -10.469 1.00 0.79 H new ATOM 0 HD21 ASN A 47 3.144 6.475 -13.011 1.00 1.94 H new ATOM 0 HD22 ASN A 47 3.988 7.801 -12.203 1.00 1.94 H new ATOM 705 N GLU A 48 4.654 3.485 -8.693 1.00 0.49 N ATOM 706 CA GLU A 48 5.093 2.095 -8.635 1.00 0.53 C ATOM 707 C GLU A 48 5.925 1.699 -9.846 1.00 0.53 C ATOM 708 O GLU A 48 5.644 2.101 -10.977 1.00 0.70 O ATOM 709 CB GLU A 48 3.889 1.179 -8.518 1.00 0.69 C ATOM 710 CG GLU A 48 3.057 1.422 -7.278 1.00 0.74 C ATOM 711 CD GLU A 48 1.868 0.514 -7.222 1.00 1.12 C ATOM 712 OE1 GLU A 48 0.756 0.947 -7.565 1.00 1.56 O ATOM 713 OE2 GLU A 48 2.030 -0.660 -6.854 1.00 1.74 O ATOM 0 H GLU A 48 3.645 3.589 -8.585 1.00 0.49 H new ATOM 0 HA GLU A 48 5.728 1.992 -7.755 1.00 0.53 H new ATOM 0 HB2 GLU A 48 3.259 1.308 -9.398 1.00 0.69 H new ATOM 0 HB3 GLU A 48 4.230 0.144 -8.519 1.00 0.69 H new ATOM 0 HG2 GLU A 48 3.673 1.271 -6.391 1.00 0.74 H new ATOM 0 HG3 GLU A 48 2.724 2.460 -7.261 1.00 0.74 H new ATOM 720 N THR A 49 6.923 0.902 -9.607 1.00 0.53 N ATOM 721 CA THR A 49 7.834 0.489 -10.629 1.00 0.58 C ATOM 722 C THR A 49 7.957 -1.027 -10.634 1.00 0.60 C ATOM 723 O THR A 49 7.226 -1.715 -9.915 1.00 0.65 O ATOM 724 CB THR A 49 9.236 1.105 -10.401 1.00 0.71 C ATOM 725 OG1 THR A 49 9.683 0.810 -9.057 1.00 1.57 O ATOM 726 CG2 THR A 49 9.228 2.613 -10.619 1.00 0.98 C ATOM 0 H THR A 49 7.129 0.516 -8.685 1.00 0.53 H new ATOM 0 HA THR A 49 7.444 0.835 -11.586 1.00 0.58 H new ATOM 0 HB THR A 49 9.920 0.664 -11.127 1.00 0.71 H new ATOM 0 HG1 THR A 49 10.571 1.199 -8.915 1.00 1.57 H new ATOM 0 HG21 THR A 49 10.229 3.010 -10.450 1.00 0.98 H new ATOM 0 HG22 THR A 49 8.919 2.831 -11.641 1.00 0.98 H new ATOM 0 HG23 THR A 49 8.531 3.078 -9.922 1.00 0.98 H new ATOM 734 N SER A 50 8.872 -1.548 -11.407 1.00 0.68 N ATOM 735 CA SER A 50 9.130 -2.961 -11.417 1.00 0.78 C ATOM 736 C SER A 50 9.933 -3.393 -10.171 1.00 0.72 C ATOM 737 O SER A 50 10.035 -4.583 -9.871 1.00 0.86 O ATOM 738 CB SER A 50 9.851 -3.327 -12.699 1.00 0.96 C ATOM 739 OG SER A 50 9.073 -2.929 -13.826 1.00 1.52 O ATOM 0 H SER A 50 9.456 -1.007 -12.044 1.00 0.68 H new ATOM 0 HA SER A 50 8.182 -3.498 -11.380 1.00 0.78 H new ATOM 0 HB2 SER A 50 10.826 -2.840 -12.729 1.00 0.96 H new ATOM 0 HB3 SER A 50 10.030 -4.402 -12.731 1.00 0.96 H new ATOM 0 HG SER A 50 9.546 -3.167 -14.651 1.00 1.52 H new ATOM 745 N PHE A 51 10.482 -2.427 -9.443 1.00 0.64 N ATOM 746 CA PHE A 51 11.232 -2.737 -8.234 1.00 0.68 C ATOM 747 C PHE A 51 10.371 -2.536 -7.010 1.00 0.55 C ATOM 748 O PHE A 51 10.402 -3.337 -6.077 1.00 0.61 O ATOM 749 CB PHE A 51 12.476 -1.860 -8.109 1.00 0.87 C ATOM 750 CG PHE A 51 13.462 -2.032 -9.213 1.00 1.08 C ATOM 751 CD1 PHE A 51 14.207 -3.189 -9.312 1.00 1.39 C ATOM 752 CD2 PHE A 51 13.656 -1.030 -10.139 1.00 1.16 C ATOM 753 CE1 PHE A 51 15.129 -3.346 -10.317 1.00 1.59 C ATOM 754 CE2 PHE A 51 14.576 -1.183 -11.148 1.00 1.37 C ATOM 755 CZ PHE A 51 15.314 -2.343 -11.238 1.00 1.52 C ATOM 0 H PHE A 51 10.423 -1.434 -9.666 1.00 0.64 H new ATOM 0 HA PHE A 51 11.539 -3.781 -8.305 1.00 0.68 H new ATOM 0 HB2 PHE A 51 12.167 -0.815 -8.073 1.00 0.87 H new ATOM 0 HB3 PHE A 51 12.967 -2.080 -7.161 1.00 0.87 H new ATOM 0 HD1 PHE A 51 14.063 -3.980 -8.591 1.00 1.39 H new ATOM 0 HD2 PHE A 51 13.081 -0.118 -10.071 1.00 1.16 H new ATOM 0 HE1 PHE A 51 15.708 -4.256 -10.384 1.00 1.59 H new ATOM 0 HE2 PHE A 51 14.721 -0.394 -11.871 1.00 1.37 H new ATOM 0 HZ PHE A 51 16.037 -2.464 -12.031 1.00 1.52 H new ATOM 765 N ILE A 52 9.597 -1.476 -7.027 1.00 0.46 N ATOM 766 CA ILE A 52 8.751 -1.117 -5.914 1.00 0.39 C ATOM 767 C ILE A 52 7.320 -1.215 -6.395 1.00 0.37 C ATOM 768 O ILE A 52 6.881 -0.367 -7.165 1.00 0.43 O ATOM 769 CB ILE A 52 9.022 0.358 -5.492 1.00 0.41 C ATOM 770 CG1 ILE A 52 10.522 0.610 -5.307 1.00 0.46 C ATOM 771 CG2 ILE A 52 8.283 0.693 -4.207 1.00 0.41 C ATOM 772 CD1 ILE A 52 10.854 2.040 -4.948 1.00 0.50 C ATOM 0 H ILE A 52 9.537 -0.835 -7.818 1.00 0.46 H new ATOM 0 HA ILE A 52 8.944 -1.774 -5.066 1.00 0.39 H new ATOM 0 HB ILE A 52 8.656 1.003 -6.291 1.00 0.41 H new ATOM 0 HG12 ILE A 52 10.899 -0.049 -4.525 1.00 0.46 H new ATOM 0 HG13 ILE A 52 11.043 0.344 -6.227 1.00 0.46 H new ATOM 0 HG21 ILE A 52 8.486 1.727 -3.930 1.00 0.41 H new ATOM 0 HG22 ILE A 52 7.212 0.561 -4.358 1.00 0.41 H new ATOM 0 HG23 ILE A 52 8.621 0.031 -3.410 1.00 0.41 H new ATOM 0 HD11 ILE A 52 11.933 2.145 -4.833 1.00 0.50 H new ATOM 0 HD12 ILE A 52 10.507 2.704 -5.740 1.00 0.50 H new ATOM 0 HD13 ILE A 52 10.362 2.304 -4.012 1.00 0.50 H new ATOM 784 N PHE A 53 6.605 -2.230 -5.973 1.00 0.33 N ATOM 785 CA PHE A 53 5.254 -2.451 -6.464 1.00 0.37 C ATOM 786 C PHE A 53 4.360 -3.073 -5.410 1.00 0.31 C ATOM 787 O PHE A 53 4.832 -3.760 -4.492 1.00 0.29 O ATOM 788 CB PHE A 53 5.279 -3.310 -7.741 1.00 0.48 C ATOM 789 CG PHE A 53 6.028 -4.614 -7.620 1.00 1.06 C ATOM 790 CD1 PHE A 53 7.395 -4.670 -7.813 1.00 1.95 C ATOM 791 CD2 PHE A 53 5.356 -5.782 -7.301 1.00 1.15 C ATOM 792 CE1 PHE A 53 8.071 -5.865 -7.692 1.00 2.87 C ATOM 793 CE2 PHE A 53 6.027 -6.975 -7.183 1.00 2.02 C ATOM 794 CZ PHE A 53 7.424 -7.000 -7.420 1.00 2.89 C ATOM 0 H PHE A 53 6.929 -2.918 -5.293 1.00 0.33 H new ATOM 0 HA PHE A 53 4.830 -1.477 -6.707 1.00 0.37 H new ATOM 0 HB2 PHE A 53 4.252 -3.525 -8.036 1.00 0.48 H new ATOM 0 HB3 PHE A 53 5.726 -2.725 -8.545 1.00 0.48 H new ATOM 0 HD1 PHE A 53 7.938 -3.770 -8.061 1.00 1.95 H new ATOM 0 HD2 PHE A 53 4.288 -5.755 -7.143 1.00 1.15 H new ATOM 0 HE1 PHE A 53 9.143 -5.883 -7.820 1.00 2.87 H new ATOM 0 HE2 PHE A 53 5.499 -7.878 -6.914 1.00 2.02 H new ATOM 0 HZ PHE A 53 7.963 -7.935 -7.381 1.00 2.89 H new ATOM 804 N THR A 54 3.092 -2.804 -5.528 1.00 0.35 N ATOM 805 CA THR A 54 2.102 -3.286 -4.616 1.00 0.35 C ATOM 806 C THR A 54 1.442 -4.562 -5.145 1.00 0.35 C ATOM 807 O THR A 54 0.825 -4.557 -6.212 1.00 0.40 O ATOM 808 CB THR A 54 1.003 -2.221 -4.443 1.00 0.39 C ATOM 809 OG1 THR A 54 1.603 -0.943 -4.213 1.00 0.43 O ATOM 810 CG2 THR A 54 0.101 -2.561 -3.283 1.00 0.44 C ATOM 0 H THR A 54 2.711 -2.229 -6.280 1.00 0.35 H new ATOM 0 HA THR A 54 2.595 -3.499 -3.667 1.00 0.35 H new ATOM 0 HB THR A 54 0.406 -2.195 -5.355 1.00 0.39 H new ATOM 0 HG1 THR A 54 1.958 -0.592 -5.056 1.00 0.43 H new ATOM 0 HG21 THR A 54 -0.667 -1.794 -3.182 1.00 0.44 H new ATOM 0 HG22 THR A 54 -0.372 -3.527 -3.461 1.00 0.44 H new ATOM 0 HG23 THR A 54 0.689 -2.609 -2.367 1.00 0.44 H new ATOM 818 N GLU A 55 1.578 -5.636 -4.416 1.00 0.36 N ATOM 819 CA GLU A 55 0.886 -6.854 -4.744 1.00 0.42 C ATOM 820 C GLU A 55 -0.286 -7.002 -3.804 1.00 0.44 C ATOM 821 O GLU A 55 -0.197 -6.630 -2.624 1.00 0.57 O ATOM 822 CB GLU A 55 1.791 -8.083 -4.679 1.00 0.60 C ATOM 823 CG GLU A 55 2.867 -8.130 -5.751 1.00 1.21 C ATOM 824 CD GLU A 55 3.628 -9.438 -5.752 1.00 1.38 C ATOM 825 OE1 GLU A 55 3.022 -10.494 -5.994 1.00 1.67 O ATOM 826 OE2 GLU A 55 4.870 -9.422 -5.527 1.00 2.04 O ATOM 0 H GLU A 55 2.166 -5.693 -3.585 1.00 0.36 H new ATOM 0 HA GLU A 55 0.543 -6.789 -5.776 1.00 0.42 H new ATOM 0 HB2 GLU A 55 2.269 -8.115 -3.700 1.00 0.60 H new ATOM 0 HB3 GLU A 55 1.174 -8.978 -4.762 1.00 0.60 H new ATOM 0 HG2 GLU A 55 2.408 -7.980 -6.728 1.00 1.21 H new ATOM 0 HG3 GLU A 55 3.565 -7.307 -5.597 1.00 1.21 H new ATOM 833 N PHE A 56 -1.370 -7.506 -4.304 1.00 0.52 N ATOM 834 CA PHE A 56 -2.572 -7.638 -3.517 1.00 0.62 C ATOM 835 C PHE A 56 -2.866 -9.085 -3.260 1.00 0.73 C ATOM 836 O PHE A 56 -2.759 -9.919 -4.169 1.00 0.87 O ATOM 837 CB PHE A 56 -3.757 -6.967 -4.215 1.00 0.68 C ATOM 838 CG PHE A 56 -3.613 -5.476 -4.348 1.00 0.63 C ATOM 839 CD1 PHE A 56 -4.012 -4.626 -3.328 1.00 0.69 C ATOM 840 CD2 PHE A 56 -3.079 -4.926 -5.499 1.00 0.61 C ATOM 841 CE1 PHE A 56 -3.880 -3.258 -3.456 1.00 0.69 C ATOM 842 CE2 PHE A 56 -2.946 -3.563 -5.634 1.00 0.59 C ATOM 843 CZ PHE A 56 -3.348 -2.722 -4.577 1.00 0.61 C ATOM 0 H PHE A 56 -1.455 -7.839 -5.265 1.00 0.52 H new ATOM 0 HA PHE A 56 -2.414 -7.137 -2.562 1.00 0.62 H new ATOM 0 HB2 PHE A 56 -3.877 -7.402 -5.207 1.00 0.68 H new ATOM 0 HB3 PHE A 56 -4.668 -7.187 -3.658 1.00 0.68 H new ATOM 0 HD1 PHE A 56 -4.431 -5.039 -2.422 1.00 0.69 H new ATOM 0 HD2 PHE A 56 -2.762 -5.575 -6.302 1.00 0.61 H new ATOM 0 HE1 PHE A 56 -4.204 -2.611 -2.654 1.00 0.69 H new ATOM 0 HE2 PHE A 56 -2.538 -3.142 -6.541 1.00 0.59 H new ATOM 0 HZ PHE A 56 -3.231 -1.652 -4.662 1.00 0.61 H new ATOM 853 N LEU A 57 -3.220 -9.391 -2.037 1.00 0.77 N ATOM 854 CA LEU A 57 -3.539 -10.742 -1.670 1.00 0.93 C ATOM 855 C LEU A 57 -5.023 -10.939 -1.882 1.00 1.04 C ATOM 856 O LEU A 57 -5.757 -9.951 -2.034 1.00 1.04 O ATOM 857 CB LEU A 57 -3.049 -11.076 -0.228 1.00 1.01 C ATOM 858 CG LEU A 57 -3.672 -10.340 0.967 1.00 0.99 C ATOM 859 CD1 LEU A 57 -5.003 -10.962 1.372 1.00 1.25 C ATOM 860 CD2 LEU A 57 -2.708 -10.325 2.142 1.00 1.16 C ATOM 0 H LEU A 57 -3.294 -8.716 -1.276 1.00 0.77 H new ATOM 0 HA LEU A 57 -3.008 -11.454 -2.302 1.00 0.93 H new ATOM 0 HB2 LEU A 57 -3.200 -12.144 -0.070 1.00 1.01 H new ATOM 0 HB3 LEU A 57 -1.974 -10.898 -0.198 1.00 1.01 H new ATOM 0 HG LEU A 57 -3.867 -9.312 0.662 1.00 0.99 H new ATOM 0 HD11 LEU A 57 -5.416 -10.417 2.221 1.00 1.25 H new ATOM 0 HD12 LEU A 57 -5.698 -10.911 0.534 1.00 1.25 H new ATOM 0 HD13 LEU A 57 -4.848 -12.004 1.651 1.00 1.25 H new ATOM 0 HD21 LEU A 57 -3.165 -9.800 2.981 1.00 1.16 H new ATOM 0 HD22 LEU A 57 -2.478 -11.349 2.437 1.00 1.16 H new ATOM 0 HD23 LEU A 57 -1.789 -9.816 1.852 1.00 1.16 H new ATOM 872 N GLU A 58 -5.452 -12.176 -1.885 1.00 1.18 N ATOM 873 CA GLU A 58 -6.805 -12.537 -2.272 1.00 1.31 C ATOM 874 C GLU A 58 -7.875 -11.972 -1.337 1.00 1.24 C ATOM 875 O GLU A 58 -7.967 -12.369 -0.157 1.00 1.32 O ATOM 876 CB GLU A 58 -6.927 -14.048 -2.377 1.00 1.61 C ATOM 877 CG GLU A 58 -5.903 -14.666 -3.316 1.00 2.01 C ATOM 878 CD GLU A 58 -5.946 -14.068 -4.698 1.00 2.65 C ATOM 879 OE1 GLU A 58 -5.161 -13.146 -4.994 1.00 3.36 O ATOM 880 OE2 GLU A 58 -6.753 -14.523 -5.532 1.00 2.90 O ATOM 0 H GLU A 58 -4.872 -12.972 -1.618 1.00 1.18 H new ATOM 0 HA GLU A 58 -6.987 -12.084 -3.246 1.00 1.31 H new ATOM 0 HB2 GLU A 58 -6.812 -14.485 -1.385 1.00 1.61 H new ATOM 0 HB3 GLU A 58 -7.929 -14.302 -2.723 1.00 1.61 H new ATOM 0 HG2 GLU A 58 -4.905 -14.532 -2.898 1.00 2.01 H new ATOM 0 HG3 GLU A 58 -6.079 -15.740 -3.383 1.00 2.01 H new ATOM 887 N PRO A 59 -8.694 -11.036 -1.842 1.00 1.21 N ATOM 888 CA PRO A 59 -9.778 -10.457 -1.081 1.00 1.25 C ATOM 889 C PRO A 59 -10.986 -11.379 -1.104 1.00 1.26 C ATOM 890 O PRO A 59 -11.377 -11.887 -2.167 1.00 1.35 O ATOM 891 CB PRO A 59 -10.086 -9.151 -1.821 1.00 1.37 C ATOM 892 CG PRO A 59 -9.679 -9.396 -3.240 1.00 1.39 C ATOM 893 CD PRO A 59 -8.624 -10.477 -3.218 1.00 1.30 C ATOM 0 HA PRO A 59 -9.526 -10.298 -0.032 1.00 1.25 H new ATOM 0 HB2 PRO A 59 -11.145 -8.901 -1.753 1.00 1.37 H new ATOM 0 HB3 PRO A 59 -9.533 -8.316 -1.392 1.00 1.37 H new ATOM 0 HG2 PRO A 59 -10.536 -9.706 -3.839 1.00 1.39 H new ATOM 0 HG3 PRO A 59 -9.287 -8.484 -3.691 1.00 1.39 H new ATOM 0 HD2 PRO A 59 -8.824 -11.242 -3.968 1.00 1.30 H new ATOM 0 HD3 PRO A 59 -7.635 -10.071 -3.432 1.00 1.30 H new ATOM 901 N ALA A 60 -11.563 -11.624 0.029 1.00 1.29 N ATOM 902 CA ALA A 60 -12.696 -12.493 0.076 1.00 1.40 C ATOM 903 C ALA A 60 -13.954 -11.687 -0.095 1.00 1.40 C ATOM 904 O ALA A 60 -14.053 -10.570 0.387 1.00 1.33 O ATOM 905 CB ALA A 60 -12.729 -13.248 1.382 1.00 1.53 C ATOM 0 H ALA A 60 -11.272 -11.239 0.927 1.00 1.29 H new ATOM 0 HA ALA A 60 -12.622 -13.219 -0.734 1.00 1.40 H new ATOM 0 HB1 ALA A 60 -13.598 -13.905 1.401 1.00 1.53 H new ATOM 0 HB2 ALA A 60 -11.822 -13.844 1.481 1.00 1.53 H new ATOM 0 HB3 ALA A 60 -12.791 -12.541 2.209 1.00 1.53 H new ATOM 911 N ALA A 61 -14.936 -12.277 -0.736 1.00 1.55 N ATOM 912 CA ALA A 61 -16.221 -11.624 -0.993 1.00 1.65 C ATOM 913 C ALA A 61 -17.097 -11.640 0.257 1.00 1.59 C ATOM 914 O ALA A 61 -18.293 -11.346 0.208 1.00 1.70 O ATOM 915 CB ALA A 61 -16.926 -12.333 -2.123 1.00 1.91 C ATOM 0 H ALA A 61 -14.877 -13.228 -1.100 1.00 1.55 H new ATOM 0 HA ALA A 61 -16.038 -10.585 -1.268 1.00 1.65 H new ATOM 0 HB1 ALA A 61 -17.883 -11.848 -2.316 1.00 1.91 H new ATOM 0 HB2 ALA A 61 -16.310 -12.289 -3.021 1.00 1.91 H new ATOM 0 HB3 ALA A 61 -17.095 -13.374 -1.850 1.00 1.91 H new ATOM 921 N ASN A 62 -16.481 -11.994 1.354 1.00 1.52 N ATOM 922 CA ASN A 62 -17.109 -12.090 2.647 1.00 1.56 C ATOM 923 C ASN A 62 -16.677 -10.919 3.502 1.00 1.33 C ATOM 924 O ASN A 62 -17.041 -10.822 4.680 1.00 1.40 O ATOM 925 CB ASN A 62 -16.674 -13.391 3.334 1.00 1.82 C ATOM 926 CG ASN A 62 -17.122 -14.644 2.611 1.00 2.72 C ATOM 927 OD1 ASN A 62 -16.426 -15.154 1.729 1.00 3.49 O ATOM 928 ND2 ASN A 62 -18.256 -15.160 2.984 1.00 3.19 N ATOM 0 H ASN A 62 -15.490 -12.233 1.373 1.00 1.52 H new ATOM 0 HA ASN A 62 -18.192 -12.082 2.523 1.00 1.56 H new ATOM 0 HB2 ASN A 62 -15.587 -13.400 3.418 1.00 1.82 H new ATOM 0 HB3 ASN A 62 -17.073 -13.406 4.348 1.00 1.82 H new ATOM 0 HD21 ASN A 62 -18.597 -16.015 2.544 1.00 3.19 H new ATOM 0 HD22 ASN A 62 -18.804 -14.710 3.717 1.00 3.19 H new ATOM 935 N GLU A 63 -15.882 -10.041 2.922 1.00 1.20 N ATOM 936 CA GLU A 63 -15.365 -8.900 3.623 1.00 1.07 C ATOM 937 C GLU A 63 -15.331 -7.732 2.650 1.00 0.90 C ATOM 938 O GLU A 63 -15.335 -7.937 1.441 1.00 0.97 O ATOM 939 CB GLU A 63 -13.934 -9.212 4.155 1.00 1.16 C ATOM 940 CG GLU A 63 -12.847 -9.287 3.073 1.00 1.31 C ATOM 941 CD GLU A 63 -11.502 -9.773 3.579 1.00 1.42 C ATOM 942 OE1 GLU A 63 -10.965 -9.222 4.592 1.00 1.48 O ATOM 943 OE2 GLU A 63 -10.934 -10.713 2.966 1.00 1.89 O ATOM 0 H GLU A 63 -15.581 -10.106 1.950 1.00 1.20 H new ATOM 0 HA GLU A 63 -15.995 -8.654 4.477 1.00 1.07 H new ATOM 0 HB2 GLU A 63 -13.655 -8.445 4.878 1.00 1.16 H new ATOM 0 HB3 GLU A 63 -13.960 -10.161 4.691 1.00 1.16 H new ATOM 0 HG2 GLU A 63 -13.186 -9.952 2.278 1.00 1.31 H new ATOM 0 HG3 GLU A 63 -12.721 -8.299 2.630 1.00 1.31 H new ATOM 950 N THR A 64 -15.334 -6.539 3.160 1.00 0.80 N ATOM 951 CA THR A 64 -15.204 -5.360 2.336 1.00 0.74 C ATOM 952 C THR A 64 -13.860 -4.702 2.610 1.00 0.59 C ATOM 953 O THR A 64 -13.727 -3.478 2.666 1.00 0.61 O ATOM 954 CB THR A 64 -16.392 -4.385 2.532 1.00 0.90 C ATOM 955 OG1 THR A 64 -16.776 -4.350 3.921 1.00 1.30 O ATOM 956 CG2 THR A 64 -17.587 -4.801 1.686 1.00 1.15 C ATOM 0 H THR A 64 -15.426 -6.347 4.158 1.00 0.80 H new ATOM 0 HA THR A 64 -15.236 -5.654 1.287 1.00 0.74 H new ATOM 0 HB THR A 64 -16.070 -3.393 2.214 1.00 0.90 H new ATOM 0 HG1 THR A 64 -17.413 -3.619 4.066 1.00 1.30 H new ATOM 0 HG21 THR A 64 -18.406 -4.099 1.843 1.00 1.15 H new ATOM 0 HG22 THR A 64 -17.305 -4.800 0.633 1.00 1.15 H new ATOM 0 HG23 THR A 64 -17.907 -5.802 1.975 1.00 1.15 H new ATOM 964 N VAL A 65 -12.873 -5.550 2.842 1.00 0.53 N ATOM 965 CA VAL A 65 -11.547 -5.118 3.153 1.00 0.45 C ATOM 966 C VAL A 65 -10.604 -5.601 2.075 1.00 0.42 C ATOM 967 O VAL A 65 -10.585 -6.780 1.731 1.00 0.49 O ATOM 968 CB VAL A 65 -11.053 -5.657 4.518 1.00 0.52 C ATOM 969 CG1 VAL A 65 -9.730 -5.017 4.912 1.00 0.50 C ATOM 970 CG2 VAL A 65 -12.096 -5.476 5.597 1.00 0.61 C ATOM 0 H VAL A 65 -12.984 -6.564 2.816 1.00 0.53 H new ATOM 0 HA VAL A 65 -11.564 -4.030 3.208 1.00 0.45 H new ATOM 0 HB VAL A 65 -10.885 -6.728 4.408 1.00 0.52 H new ATOM 0 HG11 VAL A 65 -9.406 -5.414 5.874 1.00 0.50 H new ATOM 0 HG12 VAL A 65 -8.978 -5.241 4.156 1.00 0.50 H new ATOM 0 HG13 VAL A 65 -9.857 -3.937 4.989 1.00 0.50 H new ATOM 0 HG21 VAL A 65 -11.715 -5.866 6.541 1.00 0.61 H new ATOM 0 HG22 VAL A 65 -12.325 -4.416 5.708 1.00 0.61 H new ATOM 0 HG23 VAL A 65 -13.002 -6.016 5.321 1.00 0.61 H new ATOM 980 N ARG A 66 -9.847 -4.702 1.565 1.00 0.37 N ATOM 981 CA ARG A 66 -8.883 -4.960 0.539 1.00 0.36 C ATOM 982 C ARG A 66 -7.522 -5.072 1.223 1.00 0.34 C ATOM 983 O ARG A 66 -7.198 -4.264 2.097 1.00 0.41 O ATOM 984 CB ARG A 66 -8.945 -3.787 -0.431 1.00 0.42 C ATOM 985 CG ARG A 66 -7.993 -3.811 -1.589 1.00 1.13 C ATOM 986 CD ARG A 66 -8.206 -2.576 -2.448 1.00 1.10 C ATOM 987 NE ARG A 66 -7.406 -2.598 -3.663 1.00 0.82 N ATOM 988 CZ ARG A 66 -7.388 -1.629 -4.595 1.00 1.15 C ATOM 989 NH1 ARG A 66 -8.025 -0.476 -4.376 1.00 1.61 N ATOM 990 NH2 ARG A 66 -6.732 -1.804 -5.733 1.00 1.84 N ATOM 0 H ARG A 66 -9.876 -3.725 1.856 1.00 0.37 H new ATOM 0 HA ARG A 66 -9.069 -5.880 -0.015 1.00 0.36 H new ATOM 0 HB2 ARG A 66 -9.959 -3.728 -0.827 1.00 0.42 H new ATOM 0 HB3 ARG A 66 -8.769 -2.871 0.133 1.00 0.42 H new ATOM 0 HG2 ARG A 66 -6.965 -3.842 -1.227 1.00 1.13 H new ATOM 0 HG3 ARG A 66 -8.149 -4.711 -2.183 1.00 1.13 H new ATOM 0 HD2 ARG A 66 -9.261 -2.499 -2.713 1.00 1.10 H new ATOM 0 HD3 ARG A 66 -7.957 -1.687 -1.869 1.00 1.10 H new ATOM 0 HE ARG A 66 -6.812 -3.412 -3.820 1.00 0.82 H new ATOM 0 HH11 ARG A 66 -8.527 -0.329 -3.500 1.00 1.61 H new ATOM 0 HH12 ARG A 66 -8.010 0.258 -5.085 1.00 1.61 H new ATOM 0 HH21 ARG A 66 -6.236 -2.678 -5.907 1.00 1.84 H new ATOM 0 HH22 ARG A 66 -6.723 -1.064 -6.435 1.00 1.84 H new ATOM 1004 N HIS A 67 -6.750 -6.072 0.878 1.00 0.35 N ATOM 1005 CA HIS A 67 -5.486 -6.326 1.571 1.00 0.39 C ATOM 1006 C HIS A 67 -4.354 -6.408 0.569 1.00 0.35 C ATOM 1007 O HIS A 67 -4.452 -7.116 -0.436 1.00 0.46 O ATOM 1008 CB HIS A 67 -5.532 -7.651 2.355 1.00 0.53 C ATOM 1009 CG HIS A 67 -6.636 -7.800 3.365 1.00 0.69 C ATOM 1010 ND1 HIS A 67 -6.436 -7.748 4.723 1.00 1.08 N ATOM 1011 CD2 HIS A 67 -7.951 -8.065 3.195 1.00 0.72 C ATOM 1012 CE1 HIS A 67 -7.575 -7.976 5.342 1.00 1.16 C ATOM 1013 NE2 HIS A 67 -8.510 -8.170 4.432 1.00 0.90 N ATOM 0 H HIS A 67 -6.962 -6.728 0.126 1.00 0.35 H new ATOM 0 HA HIS A 67 -5.324 -5.503 2.267 1.00 0.39 H new ATOM 0 HB2 HIS A 67 -5.614 -8.468 1.638 1.00 0.53 H new ATOM 0 HB3 HIS A 67 -4.580 -7.774 2.871 1.00 0.53 H new ATOM 0 HD2 HIS A 67 -8.464 -8.174 2.251 1.00 0.72 H new ATOM 0 HE1 HIS A 67 -7.719 -8.000 6.412 1.00 1.16 H new ATOM 0 HE2 HIS A 67 -9.492 -8.367 4.624 1.00 0.90 H new ATOM 1022 N GLY A 68 -3.280 -5.729 0.839 1.00 0.30 N ATOM 1023 CA GLY A 68 -2.178 -5.745 -0.071 1.00 0.31 C ATOM 1024 C GLY A 68 -0.880 -5.532 0.632 1.00 0.24 C ATOM 1025 O GLY A 68 -0.849 -5.370 1.858 1.00 0.26 O ATOM 0 H GLY A 68 -3.145 -5.161 1.676 1.00 0.30 H new ATOM 0 HA2 GLY A 68 -2.155 -6.699 -0.598 1.00 0.31 H new ATOM 0 HA3 GLY A 68 -2.316 -4.969 -0.824 1.00 0.31 H new ATOM 1029 N CYS A 69 0.181 -5.534 -0.112 1.00 0.21 N ATOM 1030 CA CYS A 69 1.488 -5.316 0.426 1.00 0.20 C ATOM 1031 C CYS A 69 2.387 -4.652 -0.598 1.00 0.19 C ATOM 1032 O CYS A 69 2.395 -5.040 -1.777 1.00 0.22 O ATOM 1033 CB CYS A 69 2.120 -6.635 0.887 1.00 0.25 C ATOM 1034 SG CYS A 69 3.883 -6.458 1.300 1.00 0.36 S ATOM 0 H CYS A 69 0.165 -5.688 -1.120 1.00 0.21 H new ATOM 0 HA CYS A 69 1.383 -4.657 1.288 1.00 0.20 H new ATOM 0 HB2 CYS A 69 1.582 -7.007 1.759 1.00 0.25 H new ATOM 0 HB3 CYS A 69 2.008 -7.382 0.101 1.00 0.25 H new ATOM 1039 N LEU A 70 3.115 -3.647 -0.168 1.00 0.20 N ATOM 1040 CA LEU A 70 4.102 -3.021 -1.009 1.00 0.22 C ATOM 1041 C LEU A 70 5.350 -3.873 -0.903 1.00 0.23 C ATOM 1042 O LEU A 70 5.990 -3.921 0.150 1.00 0.24 O ATOM 1043 CB LEU A 70 4.389 -1.588 -0.552 1.00 0.24 C ATOM 1044 CG LEU A 70 5.298 -0.753 -1.463 1.00 0.25 C ATOM 1045 CD1 LEU A 70 4.673 -0.583 -2.830 1.00 0.26 C ATOM 1046 CD2 LEU A 70 5.572 0.601 -0.850 1.00 0.28 C ATOM 0 H LEU A 70 3.039 -3.245 0.766 1.00 0.20 H new ATOM 0 HA LEU A 70 3.750 -2.955 -2.038 1.00 0.22 H new ATOM 0 HB2 LEU A 70 3.438 -1.066 -0.446 1.00 0.24 H new ATOM 0 HB3 LEU A 70 4.842 -1.629 0.439 1.00 0.24 H new ATOM 0 HG LEU A 70 6.243 -1.285 -1.573 1.00 0.25 H new ATOM 0 HD11 LEU A 70 5.334 0.012 -3.461 1.00 0.26 H new ATOM 0 HD12 LEU A 70 4.522 -1.562 -3.285 1.00 0.26 H new ATOM 0 HD13 LEU A 70 3.713 -0.077 -2.731 1.00 0.26 H new ATOM 0 HD21 LEU A 70 6.218 1.176 -1.513 1.00 0.28 H new ATOM 0 HD22 LEU A 70 4.631 1.133 -0.708 1.00 0.28 H new ATOM 0 HD23 LEU A 70 6.064 0.471 0.114 1.00 0.28 H new ATOM 1058 N ARG A 71 5.648 -4.574 -1.954 1.00 0.30 N ATOM 1059 CA ARG A 71 6.721 -5.530 -1.978 1.00 0.35 C ATOM 1060 C ARG A 71 7.870 -5.062 -2.826 1.00 0.36 C ATOM 1061 O ARG A 71 7.814 -5.113 -4.061 1.00 0.42 O ATOM 1062 CB ARG A 71 6.199 -6.887 -2.453 1.00 0.51 C ATOM 1063 CG ARG A 71 5.507 -7.678 -1.361 1.00 1.20 C ATOM 1064 CD ARG A 71 4.652 -8.819 -1.898 1.00 1.20 C ATOM 1065 NE ARG A 71 5.340 -9.647 -2.894 1.00 1.43 N ATOM 1066 CZ ARG A 71 5.847 -10.860 -2.695 1.00 1.80 C ATOM 1067 NH1 ARG A 71 5.884 -11.388 -1.495 1.00 1.98 N ATOM 1068 NH2 ARG A 71 6.324 -11.530 -3.707 1.00 2.68 N ATOM 0 H ARG A 71 5.145 -4.499 -2.838 1.00 0.30 H new ATOM 0 HA ARG A 71 7.103 -5.636 -0.963 1.00 0.35 H new ATOM 0 HB2 ARG A 71 5.503 -6.733 -3.277 1.00 0.51 H new ATOM 0 HB3 ARG A 71 7.031 -7.472 -2.844 1.00 0.51 H new ATOM 0 HG2 ARG A 71 6.258 -8.083 -0.683 1.00 1.20 H new ATOM 0 HG3 ARG A 71 4.879 -7.006 -0.776 1.00 1.20 H new ATOM 0 HD2 ARG A 71 4.339 -9.450 -1.066 1.00 1.20 H new ATOM 0 HD3 ARG A 71 3.747 -8.406 -2.343 1.00 1.20 H new ATOM 0 HE ARG A 71 5.439 -9.254 -3.830 1.00 1.43 H new ATOM 0 HH11 ARG A 71 5.520 -10.867 -0.697 1.00 1.98 H new ATOM 0 HH12 ARG A 71 6.276 -12.320 -1.360 1.00 1.98 H new ATOM 0 HH21 ARG A 71 6.306 -11.123 -4.642 1.00 2.68 H new ATOM 0 HH22 ARG A 71 6.715 -12.461 -3.563 1.00 2.68 H new ATOM 1082 N LEU A 72 8.904 -4.598 -2.175 1.00 0.37 N ATOM 1083 CA LEU A 72 10.081 -4.171 -2.877 1.00 0.42 C ATOM 1084 C LEU A 72 10.956 -5.353 -3.178 1.00 0.44 C ATOM 1085 O LEU A 72 11.524 -5.984 -2.267 1.00 0.49 O ATOM 1086 CB LEU A 72 10.882 -3.065 -2.154 1.00 0.50 C ATOM 1087 CG LEU A 72 10.243 -1.667 -2.113 1.00 0.70 C ATOM 1088 CD1 LEU A 72 9.107 -1.570 -1.116 1.00 1.23 C ATOM 1089 CD2 LEU A 72 11.273 -0.588 -1.863 1.00 0.61 C ATOM 0 H LEU A 72 8.953 -4.507 -1.160 1.00 0.37 H new ATOM 0 HA LEU A 72 9.735 -3.718 -3.806 1.00 0.42 H new ATOM 0 HB2 LEU A 72 11.060 -3.388 -1.128 1.00 0.50 H new ATOM 0 HB3 LEU A 72 11.856 -2.980 -2.635 1.00 0.50 H new ATOM 0 HG LEU A 72 9.813 -1.504 -3.101 1.00 0.70 H new ATOM 0 HD11 LEU A 72 8.695 -0.561 -1.131 1.00 1.23 H new ATOM 0 HD12 LEU A 72 8.328 -2.284 -1.382 1.00 1.23 H new ATOM 0 HD13 LEU A 72 9.480 -1.795 -0.117 1.00 1.23 H new ATOM 0 HD21 LEU A 72 10.783 0.385 -1.841 1.00 0.61 H new ATOM 0 HD22 LEU A 72 11.764 -0.768 -0.907 1.00 0.61 H new ATOM 0 HD23 LEU A 72 12.016 -0.602 -2.661 1.00 0.61 H new ATOM 1101 N ASN A 73 11.013 -5.682 -4.451 1.00 0.56 N ATOM 1102 CA ASN A 73 11.833 -6.779 -4.950 1.00 0.72 C ATOM 1103 C ASN A 73 13.313 -6.424 -4.839 1.00 0.73 C ATOM 1104 O ASN A 73 14.171 -7.294 -4.661 1.00 0.87 O ATOM 1105 CB ASN A 73 11.457 -7.105 -6.409 1.00 0.90 C ATOM 1106 CG ASN A 73 12.182 -8.328 -6.968 1.00 1.41 C ATOM 1107 OD1 ASN A 73 12.561 -9.236 -6.238 1.00 2.18 O ATOM 1108 ND2 ASN A 73 12.326 -8.390 -8.262 1.00 1.84 N ATOM 0 H ASN A 73 10.490 -5.195 -5.179 1.00 0.56 H new ATOM 0 HA ASN A 73 11.646 -7.664 -4.342 1.00 0.72 H new ATOM 0 HB2 ASN A 73 10.381 -7.271 -6.470 1.00 0.90 H new ATOM 0 HB3 ASN A 73 11.682 -6.242 -7.035 1.00 0.90 H new ATOM 0 HD21 ASN A 73 12.762 -9.208 -8.688 1.00 1.84 H new ATOM 0 HD22 ASN A 73 12.002 -7.621 -8.849 1.00 1.84 H new ATOM 1115 N GLN A 74 13.603 -5.149 -4.918 1.00 0.66 N ATOM 1116 CA GLN A 74 14.937 -4.663 -4.799 1.00 0.72 C ATOM 1117 C GLN A 74 14.969 -3.609 -3.704 1.00 0.66 C ATOM 1118 O GLN A 74 14.380 -2.528 -3.872 1.00 0.69 O ATOM 1119 CB GLN A 74 15.394 -4.059 -6.136 1.00 0.86 C ATOM 1120 CG GLN A 74 16.829 -3.536 -6.144 1.00 1.58 C ATOM 1121 CD GLN A 74 17.868 -4.619 -5.903 1.00 2.11 C ATOM 1122 OE1 GLN A 74 18.921 -4.362 -5.337 1.00 2.82 O ATOM 1123 NE2 GLN A 74 17.605 -5.816 -6.354 1.00 2.58 N ATOM 0 H GLN A 74 12.906 -4.420 -5.068 1.00 0.66 H new ATOM 0 HA GLN A 74 15.613 -5.479 -4.544 1.00 0.72 H new ATOM 0 HB2 GLN A 74 15.293 -4.816 -6.914 1.00 0.86 H new ATOM 0 HB3 GLN A 74 14.722 -3.241 -6.398 1.00 0.86 H new ATOM 0 HG2 GLN A 74 17.028 -3.059 -7.103 1.00 1.58 H new ATOM 0 HG3 GLN A 74 16.932 -2.767 -5.378 1.00 1.58 H new ATOM 0 HE21 GLN A 74 16.718 -6.001 -6.822 1.00 2.58 H new ATOM 0 HE22 GLN A 74 18.287 -6.566 -6.238 1.00 2.58 H new ATOM 1132 N PRO A 75 15.577 -3.915 -2.545 1.00 0.75 N ATOM 1133 CA PRO A 75 15.715 -2.935 -1.487 1.00 0.84 C ATOM 1134 C PRO A 75 16.727 -1.878 -1.907 1.00 0.81 C ATOM 1135 O PRO A 75 17.841 -2.196 -2.348 1.00 0.83 O ATOM 1136 CB PRO A 75 16.229 -3.741 -0.288 1.00 1.06 C ATOM 1137 CG PRO A 75 16.851 -4.966 -0.869 1.00 1.25 C ATOM 1138 CD PRO A 75 16.166 -5.220 -2.186 1.00 0.93 C ATOM 0 HA PRO A 75 14.786 -2.414 -1.257 1.00 0.84 H new ATOM 0 HB2 PRO A 75 16.955 -3.168 0.288 1.00 1.06 H new ATOM 0 HB3 PRO A 75 15.415 -3.998 0.390 1.00 1.06 H new ATOM 0 HG2 PRO A 75 17.922 -4.825 -1.012 1.00 1.25 H new ATOM 0 HG3 PRO A 75 16.728 -5.817 -0.199 1.00 1.25 H new ATOM 0 HD2 PRO A 75 16.872 -5.560 -2.943 1.00 0.93 H new ATOM 0 HD3 PRO A 75 15.401 -5.991 -2.095 1.00 0.93 H new ATOM 1146 N THR A 76 16.353 -0.651 -1.781 1.00 0.86 N ATOM 1147 CA THR A 76 17.170 0.425 -2.222 1.00 0.90 C ATOM 1148 C THR A 76 17.377 1.399 -1.079 1.00 0.84 C ATOM 1149 O THR A 76 16.463 1.647 -0.278 1.00 0.79 O ATOM 1150 CB THR A 76 16.476 1.122 -3.416 1.00 1.07 C ATOM 1151 OG1 THR A 76 15.104 1.391 -3.085 1.00 1.17 O ATOM 1152 CG2 THR A 76 16.528 0.252 -4.667 1.00 1.22 C ATOM 0 H THR A 76 15.466 -0.365 -1.366 1.00 0.86 H new ATOM 0 HA THR A 76 18.144 0.056 -2.543 1.00 0.90 H new ATOM 0 HB THR A 76 17.004 2.054 -3.619 1.00 1.07 H new ATOM 0 HG1 THR A 76 14.539 1.216 -3.866 1.00 1.17 H new ATOM 0 HG21 THR A 76 16.033 0.768 -5.490 1.00 1.22 H new ATOM 0 HG22 THR A 76 17.567 0.059 -4.933 1.00 1.22 H new ATOM 0 HG23 THR A 76 16.021 -0.694 -4.474 1.00 1.22 H new ATOM 1160 N HIS A 77 18.579 1.937 -0.983 1.00 0.92 N ATOM 1161 CA HIS A 77 18.907 2.844 0.095 1.00 0.94 C ATOM 1162 C HIS A 77 18.338 4.213 -0.169 1.00 0.81 C ATOM 1163 O HIS A 77 18.193 5.004 0.741 1.00 0.85 O ATOM 1164 CB HIS A 77 20.434 2.903 0.414 1.00 1.20 C ATOM 1165 CG HIS A 77 21.326 3.602 -0.572 1.00 1.36 C ATOM 1166 ND1 HIS A 77 22.030 2.954 -1.548 1.00 1.98 N ATOM 1167 CD2 HIS A 77 21.670 4.902 -0.670 1.00 1.62 C ATOM 1168 CE1 HIS A 77 22.763 3.820 -2.205 1.00 2.03 C ATOM 1169 NE2 HIS A 77 22.561 5.007 -1.692 1.00 1.72 N ATOM 0 H HIS A 77 19.341 1.761 -1.638 1.00 0.92 H new ATOM 0 HA HIS A 77 18.438 2.443 0.994 1.00 0.94 H new ATOM 0 HB2 HIS A 77 20.556 3.390 1.381 1.00 1.20 H new ATOM 0 HB3 HIS A 77 20.793 1.880 0.525 1.00 1.20 H new ATOM 0 HD2 HIS A 77 21.306 5.709 -0.052 1.00 1.62 H new ATOM 0 HE1 HIS A 77 23.422 3.592 -3.030 1.00 2.03 H new ATOM 0 HE2 HIS A 77 23.001 5.871 -2.008 1.00 1.72 H new ATOM 1178 N VAL A 78 18.007 4.481 -1.421 1.00 0.83 N ATOM 1179 CA VAL A 78 17.394 5.750 -1.782 1.00 0.92 C ATOM 1180 C VAL A 78 15.953 5.839 -1.259 1.00 0.90 C ATOM 1181 O VAL A 78 15.434 6.925 -1.031 1.00 1.08 O ATOM 1182 CB VAL A 78 17.417 6.040 -3.325 1.00 1.15 C ATOM 1183 CG1 VAL A 78 18.832 6.188 -3.855 1.00 1.33 C ATOM 1184 CG2 VAL A 78 16.666 4.980 -4.115 1.00 1.14 C ATOM 0 H VAL A 78 18.151 3.841 -2.202 1.00 0.83 H new ATOM 0 HA VAL A 78 18.005 6.515 -1.303 1.00 0.92 H new ATOM 0 HB VAL A 78 16.903 6.991 -3.463 1.00 1.15 H new ATOM 0 HG11 VAL A 78 18.800 6.388 -4.926 1.00 1.33 H new ATOM 0 HG12 VAL A 78 19.326 7.015 -3.346 1.00 1.33 H new ATOM 0 HG13 VAL A 78 19.387 5.267 -3.674 1.00 1.33 H new ATOM 0 HG21 VAL A 78 16.708 5.220 -5.177 1.00 1.14 H new ATOM 0 HG22 VAL A 78 17.125 4.006 -3.945 1.00 1.14 H new ATOM 0 HG23 VAL A 78 15.626 4.952 -3.790 1.00 1.14 H new ATOM 1194 N ASN A 79 15.323 4.698 -1.018 1.00 0.78 N ATOM 1195 CA ASN A 79 13.934 4.713 -0.602 1.00 0.90 C ATOM 1196 C ASN A 79 13.716 4.592 0.889 1.00 0.78 C ATOM 1197 O ASN A 79 12.693 4.085 1.327 1.00 0.96 O ATOM 1198 CB ASN A 79 13.039 3.745 -1.372 1.00 1.13 C ATOM 1199 CG ASN A 79 12.808 4.196 -2.789 1.00 1.40 C ATOM 1200 OD1 ASN A 79 11.916 4.995 -3.081 1.00 2.19 O ATOM 1201 ND2 ASN A 79 13.580 3.673 -3.672 1.00 1.22 N ATOM 0 H ASN A 79 15.742 3.772 -1.102 1.00 0.78 H new ATOM 0 HA ASN A 79 13.618 5.720 -0.873 1.00 0.90 H new ATOM 0 HB2 ASN A 79 13.495 2.755 -1.377 1.00 1.13 H new ATOM 0 HB3 ASN A 79 12.081 3.652 -0.860 1.00 1.13 H new ATOM 0 HD21 ASN A 79 13.467 3.915 -4.656 1.00 1.22 H new ATOM 0 HD22 ASN A 79 14.307 3.015 -3.389 1.00 1.22 H new ATOM 1208 N ASN A 80 14.672 5.013 1.688 1.00 0.64 N ATOM 1209 CA ASN A 80 14.425 5.023 3.122 1.00 0.59 C ATOM 1210 C ASN A 80 13.690 6.318 3.449 1.00 0.56 C ATOM 1211 O ASN A 80 14.158 7.412 3.096 1.00 0.88 O ATOM 1212 CB ASN A 80 15.719 4.852 3.999 1.00 0.72 C ATOM 1213 CG ASN A 80 16.663 6.065 4.052 1.00 1.05 C ATOM 1214 OD1 ASN A 80 16.498 6.960 4.884 1.00 1.96 O ATOM 1215 ND2 ASN A 80 17.676 6.083 3.232 1.00 1.43 N ATOM 0 H ASN A 80 15.591 5.341 1.392 1.00 0.64 H new ATOM 0 HA ASN A 80 13.820 4.153 3.375 1.00 0.59 H new ATOM 0 HB2 ASN A 80 15.414 4.609 5.017 1.00 0.72 H new ATOM 0 HB3 ASN A 80 16.279 3.997 3.621 1.00 0.72 H new ATOM 0 HD21 ASN A 80 18.350 6.847 3.271 1.00 1.43 H new ATOM 0 HD22 ASN A 80 17.794 5.333 2.551 1.00 1.43 H new ATOM 1222 N GLY A 81 12.524 6.213 4.042 1.00 0.46 N ATOM 1223 CA GLY A 81 11.763 7.400 4.330 1.00 0.49 C ATOM 1224 C GLY A 81 10.361 7.108 4.794 1.00 0.43 C ATOM 1225 O GLY A 81 10.055 5.986 5.230 1.00 0.40 O ATOM 0 H GLY A 81 12.090 5.335 4.329 1.00 0.46 H new ATOM 0 HA2 GLY A 81 12.279 7.978 5.097 1.00 0.49 H new ATOM 0 HA3 GLY A 81 11.721 8.022 3.436 1.00 0.49 H new ATOM 1229 N ASN A 82 9.509 8.103 4.683 1.00 0.45 N ATOM 1230 CA ASN A 82 8.143 8.033 5.171 1.00 0.44 C ATOM 1231 C ASN A 82 7.187 7.659 4.054 1.00 0.37 C ATOM 1232 O ASN A 82 6.958 8.446 3.121 1.00 0.46 O ATOM 1233 CB ASN A 82 7.719 9.388 5.763 1.00 0.56 C ATOM 1234 CG ASN A 82 8.566 9.825 6.944 1.00 1.27 C ATOM 1235 OD1 ASN A 82 9.614 10.443 6.774 1.00 2.23 O ATOM 1236 ND2 ASN A 82 8.112 9.558 8.137 1.00 1.65 N ATOM 0 H ASN A 82 9.744 8.995 4.247 1.00 0.45 H new ATOM 0 HA ASN A 82 8.104 7.266 5.944 1.00 0.44 H new ATOM 0 HB2 ASN A 82 7.775 10.149 4.985 1.00 0.56 H new ATOM 0 HB3 ASN A 82 6.677 9.328 6.076 1.00 0.56 H new ATOM 0 HD21 ASN A 82 8.630 9.864 8.960 1.00 1.65 H new ATOM 0 HD22 ASN A 82 7.238 9.043 8.247 1.00 1.65 H new ATOM 1243 N TYR A 83 6.633 6.481 4.147 1.00 0.29 N ATOM 1244 CA TYR A 83 5.674 5.988 3.184 1.00 0.27 C ATOM 1245 C TYR A 83 4.272 6.268 3.666 1.00 0.28 C ATOM 1246 O TYR A 83 3.851 5.766 4.697 1.00 0.47 O ATOM 1247 CB TYR A 83 5.837 4.481 2.964 1.00 0.34 C ATOM 1248 CG TYR A 83 7.037 4.079 2.149 1.00 0.38 C ATOM 1249 CD1 TYR A 83 6.911 3.613 0.847 1.00 0.60 C ATOM 1250 CD2 TYR A 83 8.306 4.185 2.686 1.00 0.49 C ATOM 1251 CE1 TYR A 83 8.025 3.262 0.112 1.00 0.69 C ATOM 1252 CE2 TYR A 83 9.418 3.837 1.961 1.00 0.55 C ATOM 1253 CZ TYR A 83 9.208 3.300 0.617 1.00 0.60 C ATOM 1254 OH TYR A 83 10.389 3.040 -0.033 1.00 0.69 O ATOM 0 H TYR A 83 6.834 5.825 4.901 1.00 0.29 H new ATOM 0 HA TYR A 83 5.853 6.501 2.239 1.00 0.27 H new ATOM 0 HB2 TYR A 83 5.898 3.992 3.936 1.00 0.34 H new ATOM 0 HB3 TYR A 83 4.941 4.103 2.473 1.00 0.34 H new ATOM 0 HD1 TYR A 83 5.930 3.524 0.404 1.00 0.60 H new ATOM 0 HD2 TYR A 83 8.425 4.549 3.696 1.00 0.49 H new ATOM 0 HE1 TYR A 83 7.901 2.947 -0.914 1.00 0.69 H new ATOM 0 HE2 TYR A 83 10.411 3.955 2.368 1.00 0.55 H new ATOM 0 HH TYR A 83 11.141 3.228 0.567 1.00 0.69 H new ATOM 1264 N THR A 84 3.576 7.079 2.958 1.00 0.22 N ATOM 1265 CA THR A 84 2.223 7.382 3.281 1.00 0.23 C ATOM 1266 C THR A 84 1.309 6.776 2.232 1.00 0.22 C ATOM 1267 O THR A 84 1.506 6.980 1.035 1.00 0.26 O ATOM 1268 CB THR A 84 2.023 8.904 3.380 1.00 0.27 C ATOM 1269 OG1 THR A 84 2.936 9.418 4.365 1.00 0.34 O ATOM 1270 CG2 THR A 84 0.590 9.268 3.770 1.00 0.33 C ATOM 0 H THR A 84 3.929 7.558 2.129 1.00 0.22 H new ATOM 0 HA THR A 84 1.975 6.953 4.252 1.00 0.23 H new ATOM 0 HB THR A 84 2.215 9.344 2.402 1.00 0.27 H new ATOM 0 HG1 THR A 84 2.549 9.307 5.259 1.00 0.34 H new ATOM 0 HG21 THR A 84 0.493 10.352 3.829 1.00 0.33 H new ATOM 0 HG22 THR A 84 -0.100 8.882 3.020 1.00 0.33 H new ATOM 0 HG23 THR A 84 0.354 8.830 4.740 1.00 0.33 H new ATOM 1278 N LEU A 85 0.368 6.002 2.677 1.00 0.20 N ATOM 1279 CA LEU A 85 -0.577 5.380 1.803 1.00 0.19 C ATOM 1280 C LEU A 85 -1.829 6.216 1.773 1.00 0.18 C ATOM 1281 O LEU A 85 -2.426 6.492 2.823 1.00 0.19 O ATOM 1282 CB LEU A 85 -0.893 3.956 2.273 1.00 0.20 C ATOM 1283 CG LEU A 85 -1.884 3.159 1.424 1.00 0.20 C ATOM 1284 CD1 LEU A 85 -1.372 3.010 0.022 1.00 0.21 C ATOM 1285 CD2 LEU A 85 -2.111 1.799 2.023 1.00 0.22 C ATOM 0 H LEU A 85 0.233 5.783 3.664 1.00 0.20 H new ATOM 0 HA LEU A 85 -0.156 5.312 0.800 1.00 0.19 H new ATOM 0 HB2 LEU A 85 0.042 3.397 2.320 1.00 0.20 H new ATOM 0 HB3 LEU A 85 -1.283 4.011 3.289 1.00 0.20 H new ATOM 0 HG LEU A 85 -2.828 3.703 1.403 1.00 0.20 H new ATOM 0 HD11 LEU A 85 -2.089 2.440 -0.569 1.00 0.21 H new ATOM 0 HD12 LEU A 85 -1.237 3.996 -0.423 1.00 0.21 H new ATOM 0 HD13 LEU A 85 -0.417 2.485 0.037 1.00 0.21 H new ATOM 0 HD21 LEU A 85 -2.819 1.244 1.407 1.00 0.22 H new ATOM 0 HD22 LEU A 85 -1.166 1.258 2.066 1.00 0.22 H new ATOM 0 HD23 LEU A 85 -2.514 1.908 3.030 1.00 0.22 H new ATOM 1297 N LEU A 86 -2.180 6.660 0.605 1.00 0.20 N ATOM 1298 CA LEU A 86 -3.360 7.455 0.397 1.00 0.22 C ATOM 1299 C LEU A 86 -4.406 6.605 -0.241 1.00 0.22 C ATOM 1300 O LEU A 86 -4.109 5.845 -1.172 1.00 0.27 O ATOM 1301 CB LEU A 86 -3.108 8.654 -0.557 1.00 0.28 C ATOM 1302 CG LEU A 86 -2.154 9.776 -0.122 1.00 0.32 C ATOM 1303 CD1 LEU A 86 -2.567 10.369 1.191 1.00 0.36 C ATOM 1304 CD2 LEU A 86 -0.729 9.312 -0.074 1.00 0.32 C ATOM 0 H LEU A 86 -1.649 6.479 -0.247 1.00 0.20 H new ATOM 0 HA LEU A 86 -3.666 7.836 1.372 1.00 0.22 H new ATOM 0 HB2 LEU A 86 -2.731 8.251 -1.497 1.00 0.28 H new ATOM 0 HB3 LEU A 86 -4.074 9.111 -0.771 1.00 0.28 H new ATOM 0 HG LEU A 86 -2.219 10.557 -0.879 1.00 0.32 H new ATOM 0 HD11 LEU A 86 -1.870 11.160 1.468 1.00 0.36 H new ATOM 0 HD12 LEU A 86 -3.571 10.785 1.103 1.00 0.36 H new ATOM 0 HD13 LEU A 86 -2.561 9.595 1.958 1.00 0.36 H new ATOM 0 HD21 LEU A 86 -0.088 10.137 0.238 1.00 0.32 H new ATOM 0 HD22 LEU A 86 -0.637 8.492 0.638 1.00 0.32 H new ATOM 0 HD23 LEU A 86 -0.424 8.970 -1.063 1.00 0.32 H new ATOM 1316 N ALA A 87 -5.591 6.689 0.253 1.00 0.21 N ATOM 1317 CA ALA A 87 -6.685 6.073 -0.401 1.00 0.23 C ATOM 1318 C ALA A 87 -7.653 7.155 -0.765 1.00 0.29 C ATOM 1319 O ALA A 87 -8.168 7.862 0.111 1.00 0.31 O ATOM 1320 CB ALA A 87 -7.348 5.038 0.490 1.00 0.24 C ATOM 0 H ALA A 87 -5.826 7.183 1.114 1.00 0.21 H new ATOM 0 HA ALA A 87 -6.342 5.547 -1.292 1.00 0.23 H new ATOM 0 HB1 ALA A 87 -8.184 4.583 -0.041 1.00 0.24 H new ATOM 0 HB2 ALA A 87 -6.624 4.268 0.754 1.00 0.24 H new ATOM 0 HB3 ALA A 87 -7.713 5.519 1.397 1.00 0.24 H new ATOM 1326 N ALA A 88 -7.900 7.290 -2.028 1.00 0.36 N ATOM 1327 CA ALA A 88 -8.805 8.285 -2.513 1.00 0.45 C ATOM 1328 C ALA A 88 -10.141 7.638 -2.764 1.00 0.37 C ATOM 1329 O ALA A 88 -10.280 6.774 -3.651 1.00 0.37 O ATOM 1330 CB ALA A 88 -8.252 8.939 -3.768 1.00 0.61 C ATOM 0 H ALA A 88 -7.479 6.712 -2.756 1.00 0.36 H new ATOM 0 HA ALA A 88 -8.929 9.074 -1.771 1.00 0.45 H new ATOM 0 HB1 ALA A 88 -8.953 9.694 -4.124 1.00 0.61 H new ATOM 0 HB2 ALA A 88 -7.296 9.410 -3.542 1.00 0.61 H new ATOM 0 HB3 ALA A 88 -8.110 8.183 -4.540 1.00 0.61 H new ATOM 1336 N ASN A 89 -11.098 8.017 -1.982 1.00 0.49 N ATOM 1337 CA ASN A 89 -12.409 7.427 -2.017 1.00 0.58 C ATOM 1338 C ASN A 89 -13.427 8.558 -2.023 1.00 0.57 C ATOM 1339 O ASN A 89 -13.170 9.615 -1.451 1.00 0.55 O ATOM 1340 CB ASN A 89 -12.578 6.604 -0.731 1.00 0.86 C ATOM 1341 CG ASN A 89 -13.819 5.747 -0.710 1.00 0.59 C ATOM 1342 OD1 ASN A 89 -14.883 6.190 -0.314 1.00 0.71 O ATOM 1343 ND2 ASN A 89 -13.685 4.513 -1.111 1.00 1.18 N ATOM 0 H ASN A 89 -10.996 8.757 -1.287 1.00 0.49 H new ATOM 0 HA ASN A 89 -12.545 6.795 -2.895 1.00 0.58 H new ATOM 0 HB2 ASN A 89 -11.705 5.964 -0.604 1.00 0.86 H new ATOM 0 HB3 ASN A 89 -12.603 7.282 0.122 1.00 0.86 H new ATOM 0 HD21 ASN A 89 -14.487 3.883 -1.100 1.00 1.18 H new ATOM 0 HD22 ASN A 89 -12.778 4.178 -1.436 1.00 1.18 H new ATOM 1350 N PRO A 90 -14.585 8.369 -2.715 1.00 0.64 N ATOM 1351 CA PRO A 90 -15.682 9.365 -2.759 1.00 0.68 C ATOM 1352 C PRO A 90 -16.266 9.693 -1.374 1.00 0.56 C ATOM 1353 O PRO A 90 -16.997 10.675 -1.218 1.00 0.63 O ATOM 1354 CB PRO A 90 -16.755 8.689 -3.621 1.00 0.81 C ATOM 1355 CG PRO A 90 -16.015 7.699 -4.443 1.00 1.00 C ATOM 1356 CD PRO A 90 -14.896 7.201 -3.577 1.00 0.74 C ATOM 0 HA PRO A 90 -15.323 10.318 -3.148 1.00 0.68 H new ATOM 0 HB2 PRO A 90 -17.511 8.204 -3.003 1.00 0.81 H new ATOM 0 HB3 PRO A 90 -17.274 9.415 -4.248 1.00 0.81 H new ATOM 0 HG2 PRO A 90 -16.666 6.880 -4.749 1.00 1.00 H new ATOM 0 HG3 PRO A 90 -15.630 8.157 -5.354 1.00 1.00 H new ATOM 0 HD2 PRO A 90 -15.198 6.335 -2.988 1.00 0.74 H new ATOM 0 HD3 PRO A 90 -14.033 6.898 -4.170 1.00 0.74 H new ATOM 1364 N CYS A 91 -15.991 8.854 -0.394 1.00 0.50 N ATOM 1365 CA CYS A 91 -16.416 9.118 0.968 1.00 0.50 C ATOM 1366 C CYS A 91 -15.458 10.092 1.640 1.00 0.46 C ATOM 1367 O CYS A 91 -15.880 10.994 2.369 1.00 0.61 O ATOM 1368 CB CYS A 91 -16.499 7.825 1.785 1.00 0.61 C ATOM 1369 SG CYS A 91 -16.801 8.088 3.565 1.00 1.10 S ATOM 0 H CYS A 91 -15.475 7.983 -0.515 1.00 0.50 H new ATOM 0 HA CYS A 91 -17.411 9.561 0.927 1.00 0.50 H new ATOM 0 HB2 CYS A 91 -17.297 7.202 1.380 1.00 0.61 H new ATOM 0 HB3 CYS A 91 -15.569 7.270 1.663 1.00 0.61 H new ATOM 1374 N GLY A 92 -14.189 9.924 1.353 1.00 0.46 N ATOM 1375 CA GLY A 92 -13.160 10.721 1.939 1.00 0.58 C ATOM 1376 C GLY A 92 -11.825 10.127 1.607 1.00 0.49 C ATOM 1377 O GLY A 92 -11.761 9.020 1.060 1.00 0.59 O ATOM 0 H GLY A 92 -13.848 9.220 0.698 1.00 0.46 H new ATOM 0 HA2 GLY A 92 -13.219 11.743 1.566 1.00 0.58 H new ATOM 0 HA3 GLY A 92 -13.291 10.768 3.020 1.00 0.58 H new ATOM 1381 N GLN A 93 -10.783 10.829 1.893 1.00 0.46 N ATOM 1382 CA GLN A 93 -9.459 10.363 1.616 1.00 0.42 C ATOM 1383 C GLN A 93 -8.737 10.040 2.906 1.00 0.41 C ATOM 1384 O GLN A 93 -8.593 10.895 3.787 1.00 0.56 O ATOM 1385 CB GLN A 93 -8.709 11.394 0.763 1.00 0.53 C ATOM 1386 CG GLN A 93 -7.225 11.133 0.571 1.00 0.58 C ATOM 1387 CD GLN A 93 -6.632 12.040 -0.480 1.00 0.92 C ATOM 1388 OE1 GLN A 93 -7.309 12.408 -1.450 1.00 1.57 O ATOM 1389 NE2 GLN A 93 -5.407 12.460 -0.286 1.00 1.33 N ATOM 0 H GLN A 93 -10.821 11.750 2.329 1.00 0.46 H new ATOM 0 HA GLN A 93 -9.507 9.439 1.039 1.00 0.42 H new ATOM 0 HB2 GLN A 93 -9.181 11.440 -0.218 1.00 0.53 H new ATOM 0 HB3 GLN A 93 -8.831 12.375 1.221 1.00 0.53 H new ATOM 0 HG2 GLN A 93 -6.704 11.282 1.517 1.00 0.58 H new ATOM 0 HG3 GLN A 93 -7.072 10.093 0.283 1.00 0.58 H new ATOM 0 HE21 GLN A 93 -4.879 12.136 0.524 1.00 1.33 H new ATOM 0 HE22 GLN A 93 -4.981 13.111 -0.945 1.00 1.33 H new ATOM 1398 N ALA A 94 -8.314 8.812 3.029 1.00 0.30 N ATOM 1399 CA ALA A 94 -7.621 8.343 4.208 1.00 0.33 C ATOM 1400 C ALA A 94 -6.148 8.249 3.930 1.00 0.31 C ATOM 1401 O ALA A 94 -5.743 7.969 2.792 1.00 0.30 O ATOM 1402 CB ALA A 94 -8.138 6.978 4.618 1.00 0.37 C ATOM 0 H ALA A 94 -8.439 8.099 2.310 1.00 0.30 H new ATOM 0 HA ALA A 94 -7.799 9.051 5.018 1.00 0.33 H new ATOM 0 HB1 ALA A 94 -7.606 6.639 5.507 1.00 0.37 H new ATOM 0 HB2 ALA A 94 -9.204 7.043 4.836 1.00 0.37 H new ATOM 0 HB3 ALA A 94 -7.976 6.269 3.806 1.00 0.37 H new ATOM 1408 N SER A 95 -5.350 8.487 4.934 1.00 0.36 N ATOM 1409 CA SER A 95 -3.942 8.367 4.805 1.00 0.37 C ATOM 1410 C SER A 95 -3.348 7.743 6.057 1.00 0.38 C ATOM 1411 O SER A 95 -3.868 7.935 7.161 1.00 0.57 O ATOM 1412 CB SER A 95 -3.326 9.736 4.505 1.00 0.43 C ATOM 1413 OG SER A 95 -3.703 10.713 5.472 1.00 0.50 O ATOM 0 H SER A 95 -5.667 8.769 5.861 1.00 0.36 H new ATOM 0 HA SER A 95 -3.711 7.706 3.969 1.00 0.37 H new ATOM 0 HB2 SER A 95 -2.240 9.648 4.483 1.00 0.43 H new ATOM 0 HB3 SER A 95 -3.640 10.066 3.515 1.00 0.43 H new ATOM 0 HG SER A 95 -3.289 11.572 5.247 1.00 0.50 H new ATOM 1419 N ALA A 96 -2.328 6.954 5.877 1.00 0.27 N ATOM 1420 CA ALA A 96 -1.593 6.359 6.970 1.00 0.27 C ATOM 1421 C ALA A 96 -0.134 6.430 6.609 1.00 0.23 C ATOM 1422 O ALA A 96 0.192 6.419 5.422 1.00 0.26 O ATOM 1423 CB ALA A 96 -2.029 4.918 7.198 1.00 0.30 C ATOM 0 H ALA A 96 -1.974 6.698 4.955 1.00 0.27 H new ATOM 0 HA ALA A 96 -1.785 6.894 7.900 1.00 0.27 H new ATOM 0 HB1 ALA A 96 -1.461 4.493 8.026 1.00 0.30 H new ATOM 0 HB2 ALA A 96 -3.092 4.893 7.437 1.00 0.30 H new ATOM 0 HB3 ALA A 96 -1.846 4.335 6.295 1.00 0.30 H new ATOM 1429 N SER A 97 0.735 6.504 7.571 1.00 0.26 N ATOM 1430 CA SER A 97 2.131 6.687 7.285 1.00 0.28 C ATOM 1431 C SER A 97 2.984 5.663 8.033 1.00 0.25 C ATOM 1432 O SER A 97 2.812 5.453 9.229 1.00 0.38 O ATOM 1433 CB SER A 97 2.535 8.116 7.658 1.00 0.41 C ATOM 1434 OG SER A 97 1.674 9.085 7.027 1.00 1.26 O ATOM 0 H SER A 97 0.505 6.441 8.563 1.00 0.26 H new ATOM 0 HA SER A 97 2.302 6.532 6.220 1.00 0.28 H new ATOM 0 HB2 SER A 97 2.491 8.238 8.740 1.00 0.41 H new ATOM 0 HB3 SER A 97 3.568 8.294 7.358 1.00 0.41 H new ATOM 0 HG SER A 97 1.954 9.988 7.284 1.00 1.26 H new ATOM 1440 N ILE A 98 3.864 5.016 7.318 1.00 0.25 N ATOM 1441 CA ILE A 98 4.760 4.038 7.876 1.00 0.28 C ATOM 1442 C ILE A 98 6.187 4.454 7.495 1.00 0.28 C ATOM 1443 O ILE A 98 6.468 4.760 6.333 1.00 0.30 O ATOM 1444 CB ILE A 98 4.367 2.571 7.379 1.00 0.36 C ATOM 1445 CG1 ILE A 98 5.158 1.414 8.077 1.00 0.72 C ATOM 1446 CG2 ILE A 98 4.441 2.434 5.860 1.00 0.39 C ATOM 1447 CD1 ILE A 98 6.611 1.239 7.667 1.00 0.37 C ATOM 0 H ILE A 98 3.981 5.156 6.314 1.00 0.25 H new ATOM 0 HA ILE A 98 4.690 4.000 8.963 1.00 0.28 H new ATOM 0 HB ILE A 98 3.328 2.455 7.688 1.00 0.36 H new ATOM 0 HG12 ILE A 98 5.126 1.580 9.154 1.00 0.72 H new ATOM 0 HG13 ILE A 98 4.634 0.478 7.883 1.00 0.72 H new ATOM 0 HG21 ILE A 98 4.165 1.420 5.572 1.00 0.39 H new ATOM 0 HG22 ILE A 98 3.754 3.142 5.397 1.00 0.39 H new ATOM 0 HG23 ILE A 98 5.457 2.642 5.525 1.00 0.39 H new ATOM 0 HD11 ILE A 98 7.047 0.407 8.220 1.00 0.37 H new ATOM 0 HD12 ILE A 98 6.665 1.032 6.598 1.00 0.37 H new ATOM 0 HD13 ILE A 98 7.164 2.152 7.888 1.00 0.37 H new ATOM 1459 N MET A 99 7.057 4.537 8.459 1.00 0.34 N ATOM 1460 CA MET A 99 8.412 4.956 8.184 1.00 0.41 C ATOM 1461 C MET A 99 9.256 3.712 7.988 1.00 0.40 C ATOM 1462 O MET A 99 9.418 2.909 8.914 1.00 0.51 O ATOM 1463 CB MET A 99 8.949 5.831 9.330 1.00 0.59 C ATOM 1464 CG MET A 99 10.144 6.710 8.954 1.00 0.85 C ATOM 1465 SD MET A 99 11.634 5.802 8.500 1.00 1.25 S ATOM 1466 CE MET A 99 12.665 7.157 7.972 1.00 1.18 C ATOM 0 H MET A 99 6.861 4.323 9.437 1.00 0.34 H new ATOM 0 HA MET A 99 8.448 5.564 7.280 1.00 0.41 H new ATOM 0 HB2 MET A 99 8.143 6.471 9.690 1.00 0.59 H new ATOM 0 HB3 MET A 99 9.237 5.185 10.159 1.00 0.59 H new ATOM 0 HG2 MET A 99 9.858 7.352 8.121 1.00 0.85 H new ATOM 0 HG3 MET A 99 10.375 7.364 9.795 1.00 0.85 H new ATOM 0 HE1 MET A 99 13.457 6.781 7.324 1.00 1.18 H new ATOM 0 HE2 MET A 99 12.062 7.881 7.424 1.00 1.18 H new ATOM 0 HE3 MET A 99 13.107 7.639 8.844 1.00 1.18 H new ATOM 1476 N ALA A 100 9.762 3.534 6.796 1.00 0.42 N ATOM 1477 CA ALA A 100 10.503 2.351 6.468 1.00 0.48 C ATOM 1478 C ALA A 100 11.962 2.674 6.224 1.00 0.48 C ATOM 1479 O ALA A 100 12.317 3.387 5.272 1.00 0.57 O ATOM 1480 CB ALA A 100 9.887 1.658 5.262 1.00 0.58 C ATOM 0 H ALA A 100 9.671 4.203 6.031 1.00 0.42 H new ATOM 0 HA ALA A 100 10.454 1.669 7.317 1.00 0.48 H new ATOM 0 HB1 ALA A 100 10.460 0.762 5.025 1.00 0.58 H new ATOM 0 HB2 ALA A 100 8.857 1.381 5.488 1.00 0.58 H new ATOM 0 HB3 ALA A 100 9.901 2.334 4.407 1.00 0.58 H new ATOM 1486 N ALA A 101 12.796 2.174 7.093 1.00 0.56 N ATOM 1487 CA ALA A 101 14.214 2.347 6.981 1.00 0.65 C ATOM 1488 C ALA A 101 14.822 1.097 6.364 1.00 0.66 C ATOM 1489 O ALA A 101 14.924 0.049 7.016 1.00 0.77 O ATOM 1490 CB ALA A 101 14.815 2.631 8.346 1.00 0.84 C ATOM 0 H ALA A 101 12.506 1.630 7.906 1.00 0.56 H new ATOM 0 HA ALA A 101 14.433 3.199 6.337 1.00 0.65 H new ATOM 0 HB1 ALA A 101 15.893 2.761 8.249 1.00 0.84 H new ATOM 0 HB2 ALA A 101 14.375 3.541 8.755 1.00 0.84 H new ATOM 0 HB3 ALA A 101 14.609 1.796 9.015 1.00 0.84 H new ATOM 1496 N PHE A 102 15.148 1.196 5.092 1.00 0.75 N ATOM 1497 CA PHE A 102 15.746 0.089 4.360 1.00 0.87 C ATOM 1498 C PHE A 102 17.257 0.062 4.557 1.00 1.20 C ATOM 1499 O PHE A 102 17.774 -0.733 5.331 1.00 2.05 O ATOM 1500 CB PHE A 102 15.408 0.157 2.858 1.00 0.97 C ATOM 1501 CG PHE A 102 13.947 0.013 2.538 1.00 1.69 C ATOM 1502 CD1 PHE A 102 13.396 -1.226 2.273 1.00 2.20 C ATOM 1503 CD2 PHE A 102 13.123 1.120 2.505 1.00 2.45 C ATOM 1504 CE1 PHE A 102 12.056 -1.356 1.982 1.00 3.25 C ATOM 1505 CE2 PHE A 102 11.780 0.994 2.215 1.00 3.51 C ATOM 1506 CZ PHE A 102 11.252 -0.261 1.940 1.00 3.86 C ATOM 0 H PHE A 102 15.009 2.039 4.535 1.00 0.75 H new ATOM 0 HA PHE A 102 15.323 -0.832 4.761 1.00 0.87 H new ATOM 0 HB2 PHE A 102 15.761 1.109 2.462 1.00 0.97 H new ATOM 0 HB3 PHE A 102 15.959 -0.627 2.339 1.00 0.97 H new ATOM 0 HD1 PHE A 102 14.024 -2.104 2.294 1.00 2.20 H new ATOM 0 HD2 PHE A 102 13.535 2.097 2.709 1.00 2.45 H new ATOM 0 HE1 PHE A 102 11.642 -2.334 1.786 1.00 3.25 H new ATOM 0 HE2 PHE A 102 11.143 1.866 2.202 1.00 3.51 H new ATOM 0 HZ PHE A 102 10.206 -0.366 1.694 1.00 3.86 H new