USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 699 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 THR OG1 : rot 180:sc= 1.07 USER MOD Set 1.2: A 97 SER OG : rot -101:sc= 1.22 USER MOD Set 2.1: A 82 ASN : amide:sc= -0.77 X(o=-0.79,f=-1.1) USER MOD Set 2.2: A 99 MET CE :methyl -168:sc= -0.0217 (180deg=-0.251) USER MOD Set 3.1: A 76 THR OG1 : rot -140:sc= 0.85 USER MOD Set 3.2: A 79 ASN : amide:sc= 0.339 X(o=1.2,f=1.6) USER MOD Set 4.1: A 15 HIS : no HE2:sc= 0.981 K(o=2.3,f=-5.5!) USER MOD Set 4.2: A 28 SER OG : rot 110:sc= 1.37 USER MOD Single : A 7 SER OG : rot 29:sc= 0.00606 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -163:sc= -0.167 (180deg=-0.663) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS : no HD1:sc= -0.155 X(o=-0.15,f=-0.052) USER MOD Single : A 32 GLN : amide:sc= -0.231 K(o=-0.23,f=-1.1) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN :FLIP amide:sc= -0.0611 F(o=-0.88,f=-0.061) USER MOD Single : A 44 SER OG : rot 13:sc= 1.09 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.638 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 72:sc= 1.03 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 175:sc= 0.392 USER MOD Single : A 67 HIS : no HD1:sc= 1.01 K(o=1,f=-5.8!) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 74 GLN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= -0.195 K(o=-0.19,f=-2.4!) USER MOD Single : A 83 TYR OH : rot -114:sc= -1.27! USER MOD Single : A 89 ASN : amide:sc= -0.999 K(o=-1,f=-7.5!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 79 N SER A 7 -22.517 1.317 3.698 1.00 1.06 N ATOM 80 CA SER A 7 -21.588 1.910 2.829 1.00 0.91 C ATOM 81 C SER A 7 -20.395 2.355 3.661 1.00 0.81 C ATOM 82 O SER A 7 -20.421 3.389 4.332 1.00 0.91 O ATOM 83 CB SER A 7 -22.271 3.074 2.148 1.00 1.01 C ATOM 84 OG SER A 7 -23.246 2.637 1.213 1.00 1.58 O ATOM 0 HA SER A 7 -21.234 1.223 2.061 1.00 0.91 H new ATOM 0 HB2 SER A 7 -22.744 3.708 2.898 1.00 1.01 H new ATOM 0 HB3 SER A 7 -21.526 3.685 1.638 1.00 1.01 H new ATOM 0 HG SER A 7 -23.606 1.771 1.496 1.00 1.58 H new ATOM 90 N PHE A 8 -19.380 1.547 3.647 1.00 0.75 N ATOM 91 CA PHE A 8 -18.200 1.792 4.426 1.00 0.70 C ATOM 92 C PHE A 8 -17.275 2.699 3.660 1.00 0.53 C ATOM 93 O PHE A 8 -17.066 2.510 2.466 1.00 0.54 O ATOM 94 CB PHE A 8 -17.465 0.479 4.713 1.00 0.85 C ATOM 95 CG PHE A 8 -18.301 -0.602 5.339 1.00 0.77 C ATOM 96 CD1 PHE A 8 -18.493 -1.813 4.701 1.00 0.88 C ATOM 97 CD2 PHE A 8 -18.921 -0.385 6.557 1.00 1.01 C ATOM 98 CE1 PHE A 8 -19.285 -2.787 5.266 1.00 0.85 C ATOM 99 CE2 PHE A 8 -19.712 -1.357 7.128 1.00 1.19 C ATOM 100 CZ PHE A 8 -19.786 -2.632 6.503 1.00 0.96 C ATOM 0 H PHE A 8 -19.344 0.692 3.092 1.00 0.75 H new ATOM 0 HA PHE A 8 -18.496 2.255 5.367 1.00 0.70 H new ATOM 0 HB2 PHE A 8 -17.053 0.101 3.778 1.00 0.85 H new ATOM 0 HB3 PHE A 8 -16.622 0.690 5.371 1.00 0.85 H new ATOM 0 HD1 PHE A 8 -18.017 -1.997 3.749 1.00 0.88 H new ATOM 0 HD2 PHE A 8 -18.783 0.558 7.066 1.00 1.01 H new ATOM 0 HE1 PHE A 8 -19.506 -3.685 4.709 1.00 0.85 H new ATOM 0 HE2 PHE A 8 -20.265 -1.155 8.033 1.00 1.19 H new ATOM 0 HZ PHE A 8 -20.240 -3.466 7.017 1.00 0.96 H new ATOM 110 N CYS A 9 -16.743 3.671 4.323 1.00 0.49 N ATOM 111 CA CYS A 9 -15.768 4.544 3.725 1.00 0.44 C ATOM 112 C CYS A 9 -14.410 3.860 3.868 1.00 0.37 C ATOM 113 O CYS A 9 -14.321 2.806 4.503 1.00 0.40 O ATOM 114 CB CYS A 9 -15.804 5.891 4.435 1.00 0.62 C ATOM 115 SG CYS A 9 -17.474 6.650 4.457 1.00 1.32 S ATOM 0 H CYS A 9 -16.966 3.889 5.294 1.00 0.49 H new ATOM 0 HA CYS A 9 -15.971 4.728 2.670 1.00 0.44 H new ATOM 0 HB2 CYS A 9 -15.456 5.764 5.460 1.00 0.62 H new ATOM 0 HB3 CYS A 9 -15.109 6.572 3.944 1.00 0.62 H new ATOM 120 N ALA A 10 -13.368 4.438 3.335 1.00 0.35 N ATOM 121 CA ALA A 10 -12.099 3.758 3.330 1.00 0.35 C ATOM 122 C ALA A 10 -11.265 4.153 4.502 1.00 0.29 C ATOM 123 O ALA A 10 -11.078 5.340 4.772 1.00 0.34 O ATOM 124 CB ALA A 10 -11.331 4.034 2.059 1.00 0.45 C ATOM 0 H ALA A 10 -13.369 5.363 2.905 1.00 0.35 H new ATOM 0 HA ALA A 10 -12.315 2.691 3.391 1.00 0.35 H new ATOM 0 HB1 ALA A 10 -10.378 3.506 2.088 1.00 0.45 H new ATOM 0 HB2 ALA A 10 -11.910 3.691 1.202 1.00 0.45 H new ATOM 0 HB3 ALA A 10 -11.150 5.105 1.969 1.00 0.45 H new ATOM 130 N SER A 11 -10.797 3.170 5.192 1.00 0.27 N ATOM 131 CA SER A 11 -9.918 3.349 6.290 1.00 0.27 C ATOM 132 C SER A 11 -8.596 2.705 5.894 1.00 0.23 C ATOM 133 O SER A 11 -8.586 1.623 5.288 1.00 0.25 O ATOM 134 CB SER A 11 -10.518 2.703 7.558 1.00 0.37 C ATOM 135 OG SER A 11 -9.756 2.998 8.732 1.00 1.19 O ATOM 0 H SER A 11 -11.023 2.194 5.001 1.00 0.27 H new ATOM 0 HA SER A 11 -9.765 4.403 6.522 1.00 0.27 H new ATOM 0 HB2 SER A 11 -11.540 3.056 7.693 1.00 0.37 H new ATOM 0 HB3 SER A 11 -10.569 1.623 7.423 1.00 0.37 H new ATOM 0 HG SER A 11 -10.173 2.571 9.509 1.00 1.19 H new ATOM 141 N VAL A 12 -7.502 3.372 6.180 1.00 0.23 N ATOM 142 CA VAL A 12 -6.197 2.886 5.794 1.00 0.22 C ATOM 143 C VAL A 12 -5.377 2.577 7.017 1.00 0.24 C ATOM 144 O VAL A 12 -5.080 3.463 7.825 1.00 0.29 O ATOM 145 CB VAL A 12 -5.431 3.915 4.906 1.00 0.23 C ATOM 146 CG1 VAL A 12 -4.040 3.423 4.587 1.00 0.24 C ATOM 147 CG2 VAL A 12 -6.157 4.140 3.615 1.00 0.27 C ATOM 0 H VAL A 12 -7.490 4.260 6.683 1.00 0.23 H new ATOM 0 HA VAL A 12 -6.349 1.980 5.208 1.00 0.22 H new ATOM 0 HB VAL A 12 -5.371 4.847 5.468 1.00 0.23 H new ATOM 0 HG11 VAL A 12 -3.527 4.158 3.967 1.00 0.24 H new ATOM 0 HG12 VAL A 12 -3.484 3.278 5.513 1.00 0.24 H new ATOM 0 HG13 VAL A 12 -4.103 2.477 4.050 1.00 0.24 H new ATOM 0 HG21 VAL A 12 -5.607 4.861 3.009 1.00 0.27 H new ATOM 0 HG22 VAL A 12 -6.237 3.197 3.074 1.00 0.27 H new ATOM 0 HG23 VAL A 12 -7.155 4.526 3.821 1.00 0.27 H new ATOM 157 N GLN A 13 -5.045 1.334 7.172 1.00 0.24 N ATOM 158 CA GLN A 13 -4.209 0.908 8.243 1.00 0.29 C ATOM 159 C GLN A 13 -2.934 0.333 7.663 1.00 0.26 C ATOM 160 O GLN A 13 -2.962 -0.658 6.923 1.00 0.32 O ATOM 161 CB GLN A 13 -4.921 -0.137 9.101 1.00 0.40 C ATOM 162 CG GLN A 13 -6.215 0.364 9.731 1.00 0.68 C ATOM 163 CD GLN A 13 -6.929 -0.689 10.549 1.00 1.43 C ATOM 164 OE1 GLN A 13 -6.851 -1.887 10.264 1.00 2.18 O ATOM 165 NE2 GLN A 13 -7.623 -0.256 11.568 1.00 2.06 N ATOM 0 H GLN A 13 -5.350 0.583 6.553 1.00 0.24 H new ATOM 0 HA GLN A 13 -3.974 1.759 8.882 1.00 0.29 H new ATOM 0 HB2 GLN A 13 -5.141 -1.010 8.486 1.00 0.40 H new ATOM 0 HB3 GLN A 13 -4.246 -0.466 9.891 1.00 0.40 H new ATOM 0 HG2 GLN A 13 -5.993 1.220 10.368 1.00 0.68 H new ATOM 0 HG3 GLN A 13 -6.882 0.716 8.944 1.00 0.68 H new ATOM 0 HE21 GLN A 13 -7.663 0.743 11.771 1.00 2.06 H new ATOM 0 HE22 GLN A 13 -8.125 -0.917 12.161 1.00 2.06 H new ATOM 174 N LEU A 14 -1.838 0.965 7.952 1.00 0.28 N ATOM 175 CA LEU A 14 -0.556 0.493 7.509 1.00 0.25 C ATOM 176 C LEU A 14 0.103 -0.288 8.607 1.00 0.25 C ATOM 177 O LEU A 14 -0.231 -0.126 9.777 1.00 0.33 O ATOM 178 CB LEU A 14 0.326 1.636 6.982 1.00 0.24 C ATOM 179 CG LEU A 14 0.010 2.086 5.549 1.00 0.24 C ATOM 180 CD1 LEU A 14 0.708 3.374 5.217 1.00 0.23 C ATOM 181 CD2 LEU A 14 0.461 1.030 4.575 1.00 0.25 C ATOM 0 H LEU A 14 -1.804 1.823 8.502 1.00 0.28 H new ATOM 0 HA LEU A 14 -0.702 -0.177 6.662 1.00 0.25 H new ATOM 0 HB2 LEU A 14 0.222 2.493 7.648 1.00 0.24 H new ATOM 0 HB3 LEU A 14 1.369 1.322 7.027 1.00 0.24 H new ATOM 0 HG LEU A 14 -1.067 2.238 5.476 1.00 0.24 H new ATOM 0 HD11 LEU A 14 0.465 3.667 4.196 1.00 0.23 H new ATOM 0 HD12 LEU A 14 0.381 4.153 5.906 1.00 0.23 H new ATOM 0 HD13 LEU A 14 1.786 3.238 5.308 1.00 0.23 H new ATOM 0 HD21 LEU A 14 0.235 1.352 3.559 1.00 0.25 H new ATOM 0 HD22 LEU A 14 1.535 0.876 4.677 1.00 0.25 H new ATOM 0 HD23 LEU A 14 -0.061 0.096 4.784 1.00 0.25 H new ATOM 193 N HIS A 15 0.992 -1.149 8.240 1.00 0.21 N ATOM 194 CA HIS A 15 1.628 -2.038 9.175 1.00 0.24 C ATOM 195 C HIS A 15 3.098 -1.965 8.908 1.00 0.21 C ATOM 196 O HIS A 15 3.506 -1.757 7.758 1.00 0.22 O ATOM 197 CB HIS A 15 1.136 -3.493 8.952 1.00 0.34 C ATOM 198 CG HIS A 15 -0.361 -3.709 9.081 1.00 0.54 C ATOM 199 ND1 HIS A 15 -0.938 -4.352 10.139 1.00 0.92 N ATOM 200 CD2 HIS A 15 -1.385 -3.400 8.241 1.00 0.62 C ATOM 201 CE1 HIS A 15 -2.241 -4.436 9.953 1.00 1.03 C ATOM 202 NE2 HIS A 15 -2.536 -3.864 8.805 1.00 0.83 N ATOM 0 H HIS A 15 1.306 -1.263 7.276 1.00 0.21 H new ATOM 0 HA HIS A 15 1.392 -1.753 10.200 1.00 0.24 H new ATOM 0 HB2 HIS A 15 1.446 -3.813 7.957 1.00 0.34 H new ATOM 0 HB3 HIS A 15 1.641 -4.141 9.668 1.00 0.34 H new ATOM 0 HD1 HIS A 15 -0.437 -4.713 10.951 1.00 0.92 H new ATOM 0 HD2 HIS A 15 -1.301 -2.881 7.298 1.00 0.62 H new ATOM 0 HE1 HIS A 15 -2.947 -4.896 10.629 1.00 1.03 H new ATOM 211 N THR A 16 3.890 -2.096 9.956 1.00 0.26 N ATOM 212 CA THR A 16 5.322 -2.017 9.844 1.00 0.29 C ATOM 213 C THR A 16 5.833 -3.163 8.966 1.00 0.25 C ATOM 214 O THR A 16 5.411 -4.322 9.122 1.00 0.27 O ATOM 215 CB THR A 16 5.968 -2.074 11.240 1.00 0.38 C ATOM 216 OG1 THR A 16 5.312 -1.114 12.085 1.00 0.49 O ATOM 217 CG2 THR A 16 7.446 -1.716 11.163 1.00 0.47 C ATOM 0 H THR A 16 3.553 -2.260 10.905 1.00 0.26 H new ATOM 0 HA THR A 16 5.595 -1.069 9.380 1.00 0.29 H new ATOM 0 HB THR A 16 5.866 -3.084 11.637 1.00 0.38 H new ATOM 0 HG1 THR A 16 5.711 -1.139 12.980 1.00 0.49 H new ATOM 0 HG21 THR A 16 7.884 -1.762 12.160 1.00 0.47 H new ATOM 0 HG22 THR A 16 7.958 -2.422 10.509 1.00 0.47 H new ATOM 0 HG23 THR A 16 7.556 -0.707 10.765 1.00 0.47 H new ATOM 225 N ALA A 17 6.693 -2.797 8.023 1.00 0.28 N ATOM 226 CA ALA A 17 7.259 -3.697 7.043 1.00 0.30 C ATOM 227 C ALA A 17 7.948 -4.882 7.688 1.00 0.35 C ATOM 228 O ALA A 17 8.594 -4.752 8.742 1.00 0.40 O ATOM 229 CB ALA A 17 8.237 -2.942 6.165 1.00 0.37 C ATOM 0 H ALA A 17 7.021 -1.837 7.922 1.00 0.28 H new ATOM 0 HA ALA A 17 6.441 -4.088 6.438 1.00 0.30 H new ATOM 0 HB1 ALA A 17 8.663 -3.622 5.427 1.00 0.37 H new ATOM 0 HB2 ALA A 17 7.717 -2.131 5.655 1.00 0.37 H new ATOM 0 HB3 ALA A 17 9.036 -2.529 6.781 1.00 0.37 H new ATOM 235 N VAL A 18 7.815 -6.018 7.063 1.00 0.38 N ATOM 236 CA VAL A 18 8.407 -7.221 7.568 1.00 0.48 C ATOM 237 C VAL A 18 9.788 -7.417 6.965 1.00 0.56 C ATOM 238 O VAL A 18 9.987 -7.288 5.738 1.00 0.52 O ATOM 239 CB VAL A 18 7.504 -8.480 7.359 1.00 0.54 C ATOM 240 CG1 VAL A 18 6.221 -8.349 8.168 1.00 0.57 C ATOM 241 CG2 VAL A 18 7.166 -8.697 5.888 1.00 0.52 C ATOM 0 H VAL A 18 7.295 -6.134 6.193 1.00 0.38 H new ATOM 0 HA VAL A 18 8.507 -7.105 8.647 1.00 0.48 H new ATOM 0 HB VAL A 18 8.067 -9.347 7.706 1.00 0.54 H new ATOM 0 HG11 VAL A 18 5.601 -9.232 8.013 1.00 0.57 H new ATOM 0 HG12 VAL A 18 6.466 -8.258 9.226 1.00 0.57 H new ATOM 0 HG13 VAL A 18 5.676 -7.462 7.844 1.00 0.57 H new ATOM 0 HG21 VAL A 18 6.537 -9.582 5.786 1.00 0.52 H new ATOM 0 HG22 VAL A 18 6.633 -7.827 5.505 1.00 0.52 H new ATOM 0 HG23 VAL A 18 8.086 -8.838 5.320 1.00 0.52 H new ATOM 251 N GLU A 19 10.730 -7.672 7.827 1.00 0.72 N ATOM 252 CA GLU A 19 12.109 -7.816 7.461 1.00 0.84 C ATOM 253 C GLU A 19 12.363 -9.200 6.914 1.00 0.84 C ATOM 254 O GLU A 19 12.332 -10.192 7.654 1.00 0.96 O ATOM 255 CB GLU A 19 13.002 -7.557 8.671 1.00 1.06 C ATOM 256 CG GLU A 19 12.773 -6.205 9.321 1.00 1.72 C ATOM 257 CD GLU A 19 13.703 -5.949 10.465 1.00 2.02 C ATOM 258 OE1 GLU A 19 13.320 -6.193 11.626 1.00 2.52 O ATOM 259 OE2 GLU A 19 14.849 -5.508 10.236 1.00 2.38 O ATOM 0 H GLU A 19 10.557 -7.788 8.825 1.00 0.72 H new ATOM 0 HA GLU A 19 12.344 -7.086 6.687 1.00 0.84 H new ATOM 0 HB2 GLU A 19 12.832 -8.339 9.411 1.00 1.06 H new ATOM 0 HB3 GLU A 19 14.045 -7.630 8.364 1.00 1.06 H new ATOM 0 HG2 GLU A 19 12.898 -5.421 8.574 1.00 1.72 H new ATOM 0 HG3 GLU A 19 11.744 -6.146 9.675 1.00 1.72 H new ATOM 266 N MET A 20 12.555 -9.272 5.631 1.00 0.79 N ATOM 267 CA MET A 20 12.863 -10.506 4.948 1.00 0.84 C ATOM 268 C MET A 20 14.000 -10.196 3.996 1.00 0.81 C ATOM 269 O MET A 20 14.614 -9.125 4.122 1.00 0.84 O ATOM 270 CB MET A 20 11.650 -11.024 4.148 1.00 0.88 C ATOM 271 CG MET A 20 10.381 -11.262 4.952 1.00 0.88 C ATOM 272 SD MET A 20 9.020 -11.914 3.941 1.00 0.88 S ATOM 273 CE MET A 20 8.818 -10.612 2.721 1.00 0.58 C ATOM 0 H MET A 20 12.502 -8.463 5.012 1.00 0.79 H new ATOM 0 HA MET A 20 13.129 -11.279 5.668 1.00 0.84 H new ATOM 0 HB2 MET A 20 11.428 -10.308 3.357 1.00 0.88 H new ATOM 0 HB3 MET A 20 11.931 -11.959 3.662 1.00 0.88 H new ATOM 0 HG2 MET A 20 10.594 -11.961 5.761 1.00 0.88 H new ATOM 0 HG3 MET A 20 10.068 -10.326 5.414 1.00 0.88 H new ATOM 0 HE1 MET A 20 7.850 -10.718 2.232 1.00 0.58 H new ATOM 0 HE2 MET A 20 8.871 -9.641 3.213 1.00 0.58 H new ATOM 0 HE3 MET A 20 9.610 -10.685 1.976 1.00 0.58 H new ATOM 283 N HIS A 21 14.289 -11.078 3.043 1.00 0.92 N ATOM 284 CA HIS A 21 15.351 -10.795 2.063 1.00 1.01 C ATOM 285 C HIS A 21 14.912 -9.624 1.214 1.00 0.82 C ATOM 286 O HIS A 21 15.707 -8.749 0.840 1.00 0.95 O ATOM 287 CB HIS A 21 15.642 -11.987 1.137 1.00 1.24 C ATOM 288 CG HIS A 21 16.139 -13.225 1.803 1.00 1.65 C ATOM 289 ND1 HIS A 21 17.402 -13.344 2.305 1.00 2.31 N ATOM 290 CD2 HIS A 21 15.540 -14.418 2.017 1.00 2.19 C ATOM 291 CE1 HIS A 21 17.566 -14.539 2.795 1.00 2.75 C ATOM 292 NE2 HIS A 21 16.456 -15.212 2.634 1.00 2.66 N ATOM 0 H HIS A 21 13.820 -11.976 2.923 1.00 0.92 H new ATOM 0 HA HIS A 21 16.265 -10.581 2.617 1.00 1.01 H new ATOM 0 HB2 HIS A 21 14.729 -12.232 0.594 1.00 1.24 H new ATOM 0 HB3 HIS A 21 16.379 -11.675 0.397 1.00 1.24 H new ATOM 0 HD2 HIS A 21 14.529 -14.688 1.750 1.00 2.19 H new ATOM 0 HE1 HIS A 21 18.468 -14.912 3.257 1.00 2.75 H new ATOM 0 HE2 HIS A 21 16.302 -16.178 2.925 1.00 2.66 H new ATOM 301 N HIS A 22 13.639 -9.632 0.904 1.00 0.67 N ATOM 302 CA HIS A 22 12.991 -8.581 0.170 1.00 0.59 C ATOM 303 C HIS A 22 11.948 -8.000 1.088 1.00 0.49 C ATOM 304 O HIS A 22 11.464 -8.694 1.981 1.00 0.57 O ATOM 305 CB HIS A 22 12.368 -9.114 -1.134 1.00 0.76 C ATOM 306 CG HIS A 22 13.387 -9.589 -2.145 1.00 1.13 C ATOM 307 ND1 HIS A 22 13.066 -10.306 -3.268 1.00 1.52 N ATOM 308 CD2 HIS A 22 14.730 -9.406 -2.202 1.00 2.11 C ATOM 309 CE1 HIS A 22 14.158 -10.537 -3.966 1.00 2.06 C ATOM 310 NE2 HIS A 22 15.175 -10.002 -3.338 1.00 2.46 N ATOM 0 H HIS A 22 13.011 -10.392 1.164 1.00 0.67 H new ATOM 0 HA HIS A 22 13.705 -7.816 -0.133 1.00 0.59 H new ATOM 0 HB2 HIS A 22 11.696 -9.938 -0.895 1.00 0.76 H new ATOM 0 HB3 HIS A 22 11.762 -8.328 -1.584 1.00 0.76 H new ATOM 0 HD2 HIS A 22 15.335 -8.882 -1.477 1.00 2.11 H new ATOM 0 HE1 HIS A 22 14.207 -11.077 -4.900 1.00 2.06 H new ATOM 0 HE2 HIS A 22 16.145 -10.029 -3.652 1.00 2.46 H new ATOM 319 N TRP A 23 11.605 -6.766 0.895 1.00 0.41 N ATOM 320 CA TRP A 23 10.760 -6.084 1.847 1.00 0.36 C ATOM 321 C TRP A 23 9.315 -6.050 1.432 1.00 0.32 C ATOM 322 O TRP A 23 8.991 -5.935 0.248 1.00 0.44 O ATOM 323 CB TRP A 23 11.286 -4.692 2.132 1.00 0.43 C ATOM 324 CG TRP A 23 12.593 -4.700 2.867 1.00 0.47 C ATOM 325 CD1 TRP A 23 13.828 -4.953 2.350 1.00 0.52 C ATOM 326 CD2 TRP A 23 12.787 -4.429 4.250 1.00 0.56 C ATOM 327 NE1 TRP A 23 14.777 -4.864 3.330 1.00 0.57 N ATOM 328 CE2 TRP A 23 14.162 -4.546 4.507 1.00 0.60 C ATOM 329 CE3 TRP A 23 11.931 -4.103 5.298 1.00 0.70 C ATOM 330 CZ2 TRP A 23 14.697 -4.345 5.764 1.00 0.73 C ATOM 331 CZ3 TRP A 23 12.464 -3.901 6.550 1.00 0.85 C ATOM 332 CH2 TRP A 23 13.836 -4.026 6.774 1.00 0.86 C ATOM 0 H TRP A 23 11.891 -6.204 0.093 1.00 0.41 H new ATOM 0 HA TRP A 23 10.795 -6.663 2.770 1.00 0.36 H new ATOM 0 HB2 TRP A 23 11.408 -4.156 1.191 1.00 0.43 H new ATOM 0 HB3 TRP A 23 10.549 -4.144 2.718 1.00 0.43 H new ATOM 0 HD1 TRP A 23 14.028 -5.190 1.315 1.00 0.52 H new ATOM 0 HE1 TRP A 23 15.778 -5.011 3.203 1.00 0.57 H new ATOM 0 HE3 TRP A 23 10.868 -4.010 5.131 1.00 0.70 H new ATOM 0 HZ2 TRP A 23 15.758 -4.437 5.942 1.00 0.73 H new ATOM 0 HZ3 TRP A 23 11.812 -3.642 7.371 1.00 0.85 H new ATOM 0 HH2 TRP A 23 14.225 -3.867 7.769 1.00 0.86 H new ATOM 343 N CYS A 24 8.462 -6.139 2.414 1.00 0.27 N ATOM 344 CA CYS A 24 7.044 -6.168 2.215 1.00 0.25 C ATOM 345 C CYS A 24 6.372 -5.258 3.234 1.00 0.23 C ATOM 346 O CYS A 24 6.577 -5.420 4.448 1.00 0.25 O ATOM 347 CB CYS A 24 6.546 -7.616 2.373 1.00 0.28 C ATOM 348 SG CYS A 24 4.747 -7.843 2.244 1.00 0.30 S ATOM 0 H CYS A 24 8.741 -6.194 3.394 1.00 0.27 H new ATOM 0 HA CYS A 24 6.797 -5.814 1.214 1.00 0.25 H new ATOM 0 HB2 CYS A 24 7.028 -8.232 1.614 1.00 0.28 H new ATOM 0 HB3 CYS A 24 6.873 -7.991 3.343 1.00 0.28 H new ATOM 353 N ILE A 25 5.641 -4.268 2.744 1.00 0.20 N ATOM 354 CA ILE A 25 4.871 -3.368 3.589 1.00 0.19 C ATOM 355 C ILE A 25 3.393 -3.770 3.507 1.00 0.18 C ATOM 356 O ILE A 25 2.718 -3.449 2.518 1.00 0.18 O ATOM 357 CB ILE A 25 5.004 -1.880 3.131 1.00 0.21 C ATOM 358 CG1 ILE A 25 6.480 -1.441 3.102 1.00 0.25 C ATOM 359 CG2 ILE A 25 4.183 -0.959 4.045 1.00 0.22 C ATOM 360 CD1 ILE A 25 6.699 -0.012 2.645 1.00 0.30 C ATOM 0 H ILE A 25 5.565 -4.066 1.747 1.00 0.20 H new ATOM 0 HA ILE A 25 5.254 -3.447 4.606 1.00 0.19 H new ATOM 0 HB ILE A 25 4.610 -1.801 2.118 1.00 0.21 H new ATOM 0 HG12 ILE A 25 6.901 -1.559 4.100 1.00 0.25 H new ATOM 0 HG13 ILE A 25 7.032 -2.110 2.442 1.00 0.25 H new ATOM 0 HG21 ILE A 25 4.288 0.073 3.711 1.00 0.22 H new ATOM 0 HG22 ILE A 25 3.133 -1.249 4.005 1.00 0.22 H new ATOM 0 HG23 ILE A 25 4.545 -1.047 5.070 1.00 0.22 H new ATOM 0 HD11 ILE A 25 7.765 0.214 2.654 1.00 0.30 H new ATOM 0 HD12 ILE A 25 6.311 0.110 1.634 1.00 0.30 H new ATOM 0 HD13 ILE A 25 6.178 0.669 3.318 1.00 0.30 H new ATOM 372 N PRO A 26 2.878 -4.498 4.503 1.00 0.20 N ATOM 373 CA PRO A 26 1.488 -4.944 4.506 1.00 0.21 C ATOM 374 C PRO A 26 0.521 -3.797 4.827 1.00 0.21 C ATOM 375 O PRO A 26 0.732 -3.030 5.783 1.00 0.23 O ATOM 376 CB PRO A 26 1.438 -6.004 5.625 1.00 0.25 C ATOM 377 CG PRO A 26 2.857 -6.199 6.068 1.00 0.28 C ATOM 378 CD PRO A 26 3.590 -4.946 5.704 1.00 0.24 C ATOM 0 HA PRO A 26 1.185 -5.326 3.531 1.00 0.21 H new ATOM 0 HB2 PRO A 26 0.813 -5.669 6.453 1.00 0.25 H new ATOM 0 HB3 PRO A 26 1.011 -6.938 5.260 1.00 0.25 H new ATOM 0 HG2 PRO A 26 2.907 -6.380 7.142 1.00 0.28 H new ATOM 0 HG3 PRO A 26 3.301 -7.065 5.578 1.00 0.28 H new ATOM 0 HD2 PRO A 26 3.546 -4.204 6.502 1.00 0.24 H new ATOM 0 HD3 PRO A 26 4.644 -5.137 5.503 1.00 0.24 H new ATOM 386 N PHE A 27 -0.523 -3.677 4.051 1.00 0.23 N ATOM 387 CA PHE A 27 -1.503 -2.648 4.278 1.00 0.25 C ATOM 388 C PHE A 27 -2.898 -3.227 4.328 1.00 0.25 C ATOM 389 O PHE A 27 -3.172 -4.291 3.742 1.00 0.30 O ATOM 390 CB PHE A 27 -1.408 -1.509 3.239 1.00 0.27 C ATOM 391 CG PHE A 27 -1.649 -1.887 1.804 1.00 0.28 C ATOM 392 CD1 PHE A 27 -2.933 -1.898 1.280 1.00 0.29 C ATOM 393 CD2 PHE A 27 -0.593 -2.203 0.975 1.00 0.32 C ATOM 394 CE1 PHE A 27 -3.154 -2.223 -0.036 1.00 0.34 C ATOM 395 CE2 PHE A 27 -0.807 -2.530 -0.342 1.00 0.36 C ATOM 396 CZ PHE A 27 -2.090 -2.540 -0.850 1.00 0.37 C ATOM 0 H PHE A 27 -0.717 -4.282 3.253 1.00 0.23 H new ATOM 0 HA PHE A 27 -1.283 -2.208 5.251 1.00 0.25 H new ATOM 0 HB2 PHE A 27 -2.126 -0.736 3.513 1.00 0.27 H new ATOM 0 HB3 PHE A 27 -0.416 -1.063 3.312 1.00 0.27 H new ATOM 0 HD1 PHE A 27 -3.770 -1.648 1.915 1.00 0.29 H new ATOM 0 HD2 PHE A 27 0.414 -2.193 1.366 1.00 0.32 H new ATOM 0 HE1 PHE A 27 -4.159 -2.230 -0.431 1.00 0.34 H new ATOM 0 HE2 PHE A 27 0.028 -2.779 -0.979 1.00 0.36 H new ATOM 0 HZ PHE A 27 -2.259 -2.796 -1.885 1.00 0.37 H new ATOM 406 N SER A 28 -3.749 -2.562 5.048 1.00 0.25 N ATOM 407 CA SER A 28 -5.124 -2.927 5.166 1.00 0.28 C ATOM 408 C SER A 28 -5.975 -1.708 4.831 1.00 0.24 C ATOM 409 O SER A 28 -5.910 -0.691 5.524 1.00 0.27 O ATOM 410 CB SER A 28 -5.418 -3.377 6.602 1.00 0.41 C ATOM 411 OG SER A 28 -4.545 -4.432 7.020 1.00 0.88 O ATOM 0 H SER A 28 -3.498 -1.730 5.582 1.00 0.25 H new ATOM 0 HA SER A 28 -5.353 -3.746 4.484 1.00 0.28 H new ATOM 0 HB2 SER A 28 -5.311 -2.528 7.278 1.00 0.41 H new ATOM 0 HB3 SER A 28 -6.453 -3.712 6.673 1.00 0.41 H new ATOM 0 HG SER A 28 -3.924 -4.093 7.699 1.00 0.88 H new ATOM 417 N VAL A 29 -6.709 -1.777 3.765 1.00 0.23 N ATOM 418 CA VAL A 29 -7.602 -0.705 3.407 1.00 0.21 C ATOM 419 C VAL A 29 -9.003 -1.257 3.232 1.00 0.21 C ATOM 420 O VAL A 29 -9.264 -2.066 2.332 1.00 0.27 O ATOM 421 CB VAL A 29 -7.121 0.109 2.145 1.00 0.22 C ATOM 422 CG1 VAL A 29 -6.809 -0.805 0.984 1.00 0.25 C ATOM 423 CG2 VAL A 29 -8.191 1.111 1.730 1.00 0.26 C ATOM 0 H VAL A 29 -6.712 -2.567 3.120 1.00 0.23 H new ATOM 0 HA VAL A 29 -7.603 0.019 4.222 1.00 0.21 H new ATOM 0 HB VAL A 29 -6.208 0.638 2.420 1.00 0.22 H new ATOM 0 HG11 VAL A 29 -6.481 -0.211 0.131 1.00 0.25 H new ATOM 0 HG12 VAL A 29 -6.018 -1.499 1.269 1.00 0.25 H new ATOM 0 HG13 VAL A 29 -7.703 -1.366 0.712 1.00 0.25 H new ATOM 0 HG21 VAL A 29 -7.849 1.668 0.858 1.00 0.26 H new ATOM 0 HG22 VAL A 29 -9.111 0.580 1.484 1.00 0.26 H new ATOM 0 HG23 VAL A 29 -8.380 1.803 2.551 1.00 0.26 H new ATOM 433 N ASP A 30 -9.884 -0.887 4.109 1.00 0.27 N ATOM 434 CA ASP A 30 -11.231 -1.386 4.030 1.00 0.35 C ATOM 435 C ASP A 30 -12.169 -0.287 3.676 1.00 0.37 C ATOM 436 O ASP A 30 -11.957 0.864 4.056 1.00 0.48 O ATOM 437 CB ASP A 30 -11.682 -2.104 5.312 1.00 0.51 C ATOM 438 CG ASP A 30 -12.045 -1.204 6.469 1.00 0.80 C ATOM 439 OD1 ASP A 30 -11.147 -0.657 7.121 1.00 1.39 O ATOM 440 OD2 ASP A 30 -13.246 -1.116 6.806 1.00 1.30 O ATOM 0 H ASP A 30 -9.702 -0.248 4.883 1.00 0.27 H new ATOM 0 HA ASP A 30 -11.246 -2.137 3.240 1.00 0.35 H new ATOM 0 HB2 ASP A 30 -12.545 -2.727 5.074 1.00 0.51 H new ATOM 0 HB3 ASP A 30 -10.884 -2.774 5.632 1.00 0.51 H new ATOM 445 N GLY A 31 -13.158 -0.634 2.918 1.00 0.37 N ATOM 446 CA GLY A 31 -14.149 0.283 2.471 1.00 0.42 C ATOM 447 C GLY A 31 -15.093 -0.438 1.567 1.00 0.46 C ATOM 448 O GLY A 31 -14.792 -1.548 1.134 1.00 0.60 O ATOM 0 H GLY A 31 -13.300 -1.588 2.586 1.00 0.37 H new ATOM 0 HA2 GLY A 31 -14.686 0.703 3.321 1.00 0.42 H new ATOM 0 HA3 GLY A 31 -13.683 1.116 1.945 1.00 0.42 H new ATOM 452 N GLN A 32 -16.217 0.143 1.289 1.00 0.55 N ATOM 453 CA GLN A 32 -17.185 -0.503 0.437 1.00 0.64 C ATOM 454 C GLN A 32 -16.953 -0.091 -1.033 1.00 0.61 C ATOM 455 O GLN A 32 -16.815 -0.966 -1.883 1.00 0.68 O ATOM 456 CB GLN A 32 -18.624 -0.298 0.986 1.00 0.76 C ATOM 457 CG GLN A 32 -19.725 -1.172 0.402 1.00 0.99 C ATOM 458 CD GLN A 32 -20.130 -0.825 -1.005 1.00 1.82 C ATOM 459 OE1 GLN A 32 -20.056 0.322 -1.424 1.00 2.42 O ATOM 460 NE2 GLN A 32 -20.605 -1.796 -1.721 1.00 2.61 N ATOM 0 H GLN A 32 -16.494 1.062 1.635 1.00 0.55 H new ATOM 0 HA GLN A 32 -17.051 -1.585 0.447 1.00 0.64 H new ATOM 0 HB2 GLN A 32 -18.600 -0.460 2.064 1.00 0.76 H new ATOM 0 HB3 GLN A 32 -18.901 0.744 0.827 1.00 0.76 H new ATOM 0 HG2 GLN A 32 -19.394 -2.210 0.424 1.00 0.99 H new ATOM 0 HG3 GLN A 32 -20.603 -1.103 1.045 1.00 0.99 H new ATOM 0 HE21 GLN A 32 -20.650 -2.739 -1.335 1.00 2.61 H new ATOM 0 HE22 GLN A 32 -20.934 -1.617 -2.670 1.00 2.61 H new ATOM 469 N PRO A 33 -16.894 1.226 -1.387 1.00 0.59 N ATOM 470 CA PRO A 33 -16.468 1.612 -2.709 1.00 0.62 C ATOM 471 C PRO A 33 -14.948 1.563 -2.735 1.00 0.53 C ATOM 472 O PRO A 33 -14.292 2.229 -1.916 1.00 0.44 O ATOM 473 CB PRO A 33 -16.969 3.067 -2.869 1.00 0.67 C ATOM 474 CG PRO A 33 -17.766 3.349 -1.638 1.00 0.78 C ATOM 475 CD PRO A 33 -17.251 2.408 -0.596 1.00 0.63 C ATOM 0 HA PRO A 33 -16.848 0.972 -3.505 1.00 0.62 H new ATOM 0 HB2 PRO A 33 -16.135 3.762 -2.965 1.00 0.67 H new ATOM 0 HB3 PRO A 33 -17.579 3.176 -3.766 1.00 0.67 H new ATOM 0 HG2 PRO A 33 -17.646 4.386 -1.323 1.00 0.78 H new ATOM 0 HG3 PRO A 33 -18.830 3.191 -1.816 1.00 0.78 H new ATOM 0 HD2 PRO A 33 -16.390 2.818 -0.068 1.00 0.63 H new ATOM 0 HD3 PRO A 33 -18.007 2.181 0.155 1.00 0.63 H new ATOM 483 N ALA A 34 -14.406 0.746 -3.618 1.00 0.62 N ATOM 484 CA ALA A 34 -12.972 0.541 -3.725 1.00 0.60 C ATOM 485 C ALA A 34 -12.226 1.858 -3.960 1.00 0.52 C ATOM 486 O ALA A 34 -12.409 2.517 -4.982 1.00 0.63 O ATOM 487 CB ALA A 34 -12.662 -0.471 -4.814 1.00 0.78 C ATOM 0 H ALA A 34 -14.951 0.202 -4.286 1.00 0.62 H new ATOM 0 HA ALA A 34 -12.619 0.142 -2.774 1.00 0.60 H new ATOM 0 HB1 ALA A 34 -11.584 -0.614 -4.882 1.00 0.78 H new ATOM 0 HB2 ALA A 34 -13.139 -1.421 -4.574 1.00 0.78 H new ATOM 0 HB3 ALA A 34 -13.040 -0.106 -5.769 1.00 0.78 H new ATOM 493 N PRO A 35 -11.384 2.258 -3.002 1.00 0.39 N ATOM 494 CA PRO A 35 -10.658 3.520 -3.067 1.00 0.35 C ATOM 495 C PRO A 35 -9.400 3.447 -3.931 1.00 0.41 C ATOM 496 O PRO A 35 -8.791 2.381 -4.089 1.00 0.56 O ATOM 497 CB PRO A 35 -10.260 3.745 -1.614 1.00 0.29 C ATOM 498 CG PRO A 35 -10.070 2.377 -1.066 1.00 0.31 C ATOM 499 CD PRO A 35 -11.086 1.514 -1.754 1.00 0.37 C ATOM 0 HA PRO A 35 -11.263 4.310 -3.513 1.00 0.35 H new ATOM 0 HB2 PRO A 35 -9.346 4.333 -1.539 1.00 0.29 H new ATOM 0 HB3 PRO A 35 -11.033 4.287 -1.070 1.00 0.29 H new ATOM 0 HG2 PRO A 35 -9.059 2.017 -1.256 1.00 0.31 H new ATOM 0 HG3 PRO A 35 -10.215 2.365 0.014 1.00 0.31 H new ATOM 0 HD2 PRO A 35 -10.692 0.520 -1.964 1.00 0.37 H new ATOM 0 HD3 PRO A 35 -11.979 1.381 -1.143 1.00 0.37 H new ATOM 507 N SER A 36 -9.027 4.579 -4.469 1.00 0.39 N ATOM 508 CA SER A 36 -7.821 4.712 -5.233 1.00 0.44 C ATOM 509 C SER A 36 -6.663 4.829 -4.247 1.00 0.37 C ATOM 510 O SER A 36 -6.659 5.747 -3.415 1.00 0.41 O ATOM 511 CB SER A 36 -7.902 5.993 -6.061 1.00 0.57 C ATOM 512 OG SER A 36 -9.132 6.070 -6.772 1.00 1.37 O ATOM 0 H SER A 36 -9.562 5.444 -4.386 1.00 0.39 H new ATOM 0 HA SER A 36 -7.681 3.857 -5.895 1.00 0.44 H new ATOM 0 HB2 SER A 36 -7.803 6.859 -5.406 1.00 0.57 H new ATOM 0 HB3 SER A 36 -7.070 6.028 -6.764 1.00 0.57 H new ATOM 0 HG SER A 36 -9.158 6.900 -7.292 1.00 1.37 H new ATOM 518 N LEU A 37 -5.735 3.907 -4.301 1.00 0.33 N ATOM 519 CA LEU A 37 -4.602 3.919 -3.407 1.00 0.30 C ATOM 520 C LEU A 37 -3.436 4.640 -4.055 1.00 0.32 C ATOM 521 O LEU A 37 -3.063 4.347 -5.197 1.00 0.50 O ATOM 522 CB LEU A 37 -4.195 2.492 -3.028 1.00 0.32 C ATOM 523 CG LEU A 37 -5.243 1.656 -2.291 1.00 0.32 C ATOM 524 CD1 LEU A 37 -4.740 0.249 -2.103 1.00 0.43 C ATOM 525 CD2 LEU A 37 -5.562 2.268 -0.941 1.00 0.27 C ATOM 0 H LEU A 37 -5.742 3.130 -4.962 1.00 0.33 H new ATOM 0 HA LEU A 37 -4.886 4.448 -2.497 1.00 0.30 H new ATOM 0 HB2 LEU A 37 -3.916 1.963 -3.940 1.00 0.32 H new ATOM 0 HB3 LEU A 37 -3.302 2.546 -2.405 1.00 0.32 H new ATOM 0 HG LEU A 37 -6.153 1.638 -2.891 1.00 0.32 H new ATOM 0 HD11 LEU A 37 -5.492 -0.339 -1.577 1.00 0.43 H new ATOM 0 HD12 LEU A 37 -4.543 -0.200 -3.076 1.00 0.43 H new ATOM 0 HD13 LEU A 37 -3.820 0.267 -1.519 1.00 0.43 H new ATOM 0 HD21 LEU A 37 -6.309 1.659 -0.433 1.00 0.27 H new ATOM 0 HD22 LEU A 37 -4.656 2.309 -0.337 1.00 0.27 H new ATOM 0 HD23 LEU A 37 -5.951 3.277 -1.081 1.00 0.27 H new ATOM 537 N ARG A 38 -2.901 5.595 -3.355 1.00 0.23 N ATOM 538 CA ARG A 38 -1.774 6.365 -3.819 1.00 0.23 C ATOM 539 C ARG A 38 -0.654 6.266 -2.796 1.00 0.22 C ATOM 540 O ARG A 38 -0.892 6.457 -1.595 1.00 0.26 O ATOM 541 CB ARG A 38 -2.176 7.838 -3.973 1.00 0.28 C ATOM 542 CG ARG A 38 -1.063 8.747 -4.487 1.00 0.33 C ATOM 543 CD ARG A 38 -1.423 10.218 -4.322 1.00 1.28 C ATOM 544 NE ARG A 38 -2.696 10.584 -4.968 1.00 1.98 N ATOM 545 CZ ARG A 38 -3.174 11.837 -5.046 1.00 3.10 C ATOM 546 NH1 ARG A 38 -2.444 12.866 -4.610 1.00 3.72 N ATOM 547 NH2 ARG A 38 -4.374 12.057 -5.573 1.00 3.78 N ATOM 0 H ARG A 38 -3.236 5.869 -2.431 1.00 0.23 H new ATOM 0 HA ARG A 38 -1.443 5.977 -4.782 1.00 0.23 H new ATOM 0 HB2 ARG A 38 -3.024 7.901 -4.656 1.00 0.28 H new ATOM 0 HB3 ARG A 38 -2.516 8.212 -3.007 1.00 0.28 H new ATOM 0 HG2 ARG A 38 -0.140 8.534 -3.948 1.00 0.33 H new ATOM 0 HG3 ARG A 38 -0.874 8.533 -5.539 1.00 0.33 H new ATOM 0 HD2 ARG A 38 -1.482 10.453 -3.259 1.00 1.28 H new ATOM 0 HD3 ARG A 38 -0.623 10.829 -4.739 1.00 1.28 H new ATOM 0 HE ARG A 38 -3.251 9.836 -5.384 1.00 1.98 H new ATOM 0 HH11 ARG A 38 -1.518 12.703 -4.215 1.00 3.72 H new ATOM 0 HH12 ARG A 38 -2.812 13.815 -4.672 1.00 3.72 H new ATOM 0 HH21 ARG A 38 -4.931 11.275 -5.918 1.00 3.78 H new ATOM 0 HH22 ARG A 38 -4.738 13.008 -5.633 1.00 3.78 H new ATOM 561 N TRP A 39 0.532 5.960 -3.250 1.00 0.22 N ATOM 562 CA TRP A 39 1.674 5.923 -2.379 1.00 0.22 C ATOM 563 C TRP A 39 2.397 7.244 -2.423 1.00 0.20 C ATOM 564 O TRP A 39 2.832 7.700 -3.488 1.00 0.26 O ATOM 565 CB TRP A 39 2.646 4.808 -2.755 1.00 0.25 C ATOM 566 CG TRP A 39 2.133 3.431 -2.520 1.00 0.25 C ATOM 567 CD1 TRP A 39 1.677 2.557 -3.454 1.00 0.29 C ATOM 568 CD2 TRP A 39 2.028 2.766 -1.255 1.00 0.24 C ATOM 569 NE1 TRP A 39 1.307 1.381 -2.856 1.00 0.29 N ATOM 570 CE2 TRP A 39 1.507 1.486 -1.501 1.00 0.26 C ATOM 571 CE3 TRP A 39 2.331 3.135 0.063 1.00 0.25 C ATOM 572 CZ2 TRP A 39 1.280 0.566 -0.476 1.00 0.26 C ATOM 573 CZ3 TRP A 39 2.105 2.226 1.077 1.00 0.26 C ATOM 574 CH2 TRP A 39 1.585 0.956 0.806 1.00 0.26 C ATOM 0 H TRP A 39 0.732 5.732 -4.224 1.00 0.22 H new ATOM 0 HA TRP A 39 1.306 5.727 -1.372 1.00 0.22 H new ATOM 0 HB2 TRP A 39 2.905 4.910 -3.809 1.00 0.25 H new ATOM 0 HB3 TRP A 39 3.567 4.940 -2.187 1.00 0.25 H new ATOM 0 HD1 TRP A 39 1.615 2.759 -4.513 1.00 0.29 H new ATOM 0 HE1 TRP A 39 0.942 0.560 -3.339 1.00 0.29 H new ATOM 0 HE3 TRP A 39 2.734 4.113 0.281 1.00 0.25 H new ATOM 0 HZ2 TRP A 39 0.880 -0.416 -0.683 1.00 0.26 H new ATOM 0 HZ3 TRP A 39 2.333 2.500 2.096 1.00 0.26 H new ATOM 0 HH2 TRP A 39 1.420 0.267 1.621 1.00 0.26 H new ATOM 585 N LEU A 40 2.490 7.878 -1.307 1.00 0.25 N ATOM 586 CA LEU A 40 3.227 9.088 -1.214 1.00 0.24 C ATOM 587 C LEU A 40 4.456 8.799 -0.384 1.00 0.27 C ATOM 588 O LEU A 40 4.359 8.272 0.716 1.00 0.34 O ATOM 589 CB LEU A 40 2.378 10.169 -0.552 1.00 0.31 C ATOM 590 CG LEU A 40 2.932 11.586 -0.565 1.00 0.49 C ATOM 591 CD1 LEU A 40 2.915 12.131 -1.974 1.00 0.66 C ATOM 592 CD2 LEU A 40 2.138 12.480 0.375 1.00 0.95 C ATOM 0 H LEU A 40 2.058 7.573 -0.435 1.00 0.25 H new ATOM 0 HA LEU A 40 3.509 9.449 -2.203 1.00 0.24 H new ATOM 0 HB2 LEU A 40 1.404 10.182 -1.041 1.00 0.31 H new ATOM 0 HB3 LEU A 40 2.210 9.880 0.486 1.00 0.31 H new ATOM 0 HG LEU A 40 3.963 11.566 -0.213 1.00 0.49 H new ATOM 0 HD11 LEU A 40 3.313 13.146 -1.976 1.00 0.66 H new ATOM 0 HD12 LEU A 40 3.529 11.499 -2.616 1.00 0.66 H new ATOM 0 HD13 LEU A 40 1.891 12.142 -2.348 1.00 0.66 H new ATOM 0 HD21 LEU A 40 2.550 13.489 0.352 1.00 0.95 H new ATOM 0 HD22 LEU A 40 1.095 12.506 0.058 1.00 0.95 H new ATOM 0 HD23 LEU A 40 2.199 12.087 1.390 1.00 0.95 H new ATOM 604 N PHE A 41 5.583 9.121 -0.898 1.00 0.28 N ATOM 605 CA PHE A 41 6.814 8.876 -0.228 1.00 0.35 C ATOM 606 C PHE A 41 7.504 10.177 0.084 1.00 0.38 C ATOM 607 O PHE A 41 7.980 10.867 -0.819 1.00 0.41 O ATOM 608 CB PHE A 41 7.730 7.960 -1.063 1.00 0.45 C ATOM 609 CG PHE A 41 9.108 7.824 -0.479 1.00 0.58 C ATOM 610 CD1 PHE A 41 10.202 8.400 -1.110 1.00 0.75 C ATOM 611 CD2 PHE A 41 9.304 7.165 0.717 1.00 0.60 C ATOM 612 CE1 PHE A 41 11.458 8.316 -0.556 1.00 0.88 C ATOM 613 CE2 PHE A 41 10.557 7.073 1.269 1.00 0.74 C ATOM 614 CZ PHE A 41 11.635 7.651 0.635 1.00 0.86 C ATOM 0 H PHE A 41 5.684 9.569 -1.809 1.00 0.28 H new ATOM 0 HA PHE A 41 6.596 8.362 0.708 1.00 0.35 H new ATOM 0 HB2 PHE A 41 7.275 6.973 -1.141 1.00 0.45 H new ATOM 0 HB3 PHE A 41 7.807 8.357 -2.075 1.00 0.45 H new ATOM 0 HD1 PHE A 41 10.065 8.920 -2.047 1.00 0.75 H new ATOM 0 HD2 PHE A 41 8.462 6.717 1.224 1.00 0.60 H new ATOM 0 HE1 PHE A 41 12.302 8.770 -1.054 1.00 0.88 H new ATOM 0 HE2 PHE A 41 10.698 6.547 2.202 1.00 0.74 H new ATOM 0 HZ PHE A 41 12.620 7.582 1.073 1.00 0.86 H new ATOM 624 N ASN A 42 7.485 10.533 1.350 1.00 0.46 N ATOM 625 CA ASN A 42 8.193 11.703 1.891 1.00 0.57 C ATOM 626 C ASN A 42 7.769 13.001 1.160 1.00 0.53 C ATOM 627 O ASN A 42 8.574 13.897 0.913 1.00 0.69 O ATOM 628 CB ASN A 42 9.724 11.469 1.796 1.00 0.73 C ATOM 629 CG ASN A 42 10.576 12.423 2.629 1.00 1.12 C ATOM 630 OD1 ASN A 42 10.101 12.806 3.797 1.00 1.79 O flip ATOM 631 ND2 ASN A 42 11.695 12.772 2.239 1.00 1.72 N flip ATOM 0 H ASN A 42 6.968 10.013 2.059 1.00 0.46 H new ATOM 0 HA ASN A 42 7.924 11.829 2.940 1.00 0.57 H new ATOM 0 HB2 ASN A 42 9.940 10.447 2.107 1.00 0.73 H new ATOM 0 HB3 ASN A 42 10.025 11.554 0.752 1.00 0.73 H new ATOM 0 HD21 ASN A 42 12.038 12.461 1.330 1.00 1.72 H new ATOM 0 HD22 ASN A 42 12.276 13.371 2.826 1.00 1.72 H new ATOM 638 N GLY A 43 6.499 13.062 0.783 1.00 0.45 N ATOM 639 CA GLY A 43 5.978 14.234 0.095 1.00 0.51 C ATOM 640 C GLY A 43 5.956 14.081 -1.424 1.00 0.47 C ATOM 641 O GLY A 43 5.246 14.804 -2.119 1.00 0.61 O ATOM 0 H GLY A 43 5.816 12.321 0.940 1.00 0.45 H new ATOM 0 HA2 GLY A 43 4.966 14.434 0.448 1.00 0.51 H new ATOM 0 HA3 GLY A 43 6.585 15.101 0.357 1.00 0.51 H new ATOM 645 N SER A 44 6.704 13.146 -1.935 1.00 0.38 N ATOM 646 CA SER A 44 6.761 12.913 -3.368 1.00 0.40 C ATOM 647 C SER A 44 6.004 11.656 -3.727 1.00 0.33 C ATOM 648 O SER A 44 6.036 10.678 -2.994 1.00 0.28 O ATOM 649 CB SER A 44 8.226 12.869 -3.834 1.00 0.51 C ATOM 650 OG SER A 44 9.026 11.998 -3.022 1.00 1.37 O ATOM 0 H SER A 44 7.292 12.522 -1.383 1.00 0.38 H new ATOM 0 HA SER A 44 6.276 13.737 -3.892 1.00 0.40 H new ATOM 0 HB2 SER A 44 8.266 12.535 -4.871 1.00 0.51 H new ATOM 0 HB3 SER A 44 8.645 13.875 -3.807 1.00 0.51 H new ATOM 0 HG SER A 44 8.442 11.448 -2.459 1.00 1.37 H new ATOM 656 N VAL A 45 5.288 11.713 -4.818 1.00 0.41 N ATOM 657 CA VAL A 45 4.479 10.612 -5.279 1.00 0.41 C ATOM 658 C VAL A 45 5.368 9.454 -5.675 1.00 0.39 C ATOM 659 O VAL A 45 6.328 9.628 -6.438 1.00 0.45 O ATOM 660 CB VAL A 45 3.561 11.023 -6.471 1.00 0.55 C ATOM 661 CG1 VAL A 45 2.830 9.827 -7.034 1.00 0.68 C ATOM 662 CG2 VAL A 45 2.548 12.051 -6.034 1.00 0.70 C ATOM 0 H VAL A 45 5.248 12.535 -5.421 1.00 0.41 H new ATOM 0 HA VAL A 45 3.829 10.308 -4.459 1.00 0.41 H new ATOM 0 HB VAL A 45 4.204 11.446 -7.243 1.00 0.55 H new ATOM 0 HG11 VAL A 45 2.198 10.144 -7.863 1.00 0.68 H new ATOM 0 HG12 VAL A 45 3.553 9.093 -7.389 1.00 0.68 H new ATOM 0 HG13 VAL A 45 2.211 9.380 -6.256 1.00 0.68 H new ATOM 0 HG21 VAL A 45 1.918 12.324 -6.881 1.00 0.70 H new ATOM 0 HG22 VAL A 45 1.928 11.636 -5.239 1.00 0.70 H new ATOM 0 HG23 VAL A 45 3.065 12.937 -5.666 1.00 0.70 H new ATOM 672 N LEU A 46 5.070 8.303 -5.138 1.00 0.37 N ATOM 673 CA LEU A 46 5.827 7.133 -5.415 1.00 0.40 C ATOM 674 C LEU A 46 5.222 6.417 -6.595 1.00 0.44 C ATOM 675 O LEU A 46 4.095 5.899 -6.524 1.00 0.51 O ATOM 676 CB LEU A 46 5.850 6.209 -4.208 1.00 0.44 C ATOM 677 CG LEU A 46 6.655 4.922 -4.371 1.00 0.51 C ATOM 678 CD1 LEU A 46 8.146 5.212 -4.480 1.00 0.57 C ATOM 679 CD2 LEU A 46 6.369 3.978 -3.235 1.00 0.61 C ATOM 0 H LEU A 46 4.291 8.159 -4.495 1.00 0.37 H new ATOM 0 HA LEU A 46 6.852 7.422 -5.645 1.00 0.40 H new ATOM 0 HB2 LEU A 46 6.252 6.762 -3.359 1.00 0.44 H new ATOM 0 HB3 LEU A 46 4.823 5.943 -3.958 1.00 0.44 H new ATOM 0 HG LEU A 46 6.347 4.444 -5.301 1.00 0.51 H new ATOM 0 HD11 LEU A 46 8.691 4.275 -4.595 1.00 0.57 H new ATOM 0 HD12 LEU A 46 8.331 5.848 -5.346 1.00 0.57 H new ATOM 0 HD13 LEU A 46 8.485 5.720 -3.577 1.00 0.57 H new ATOM 0 HD21 LEU A 46 6.950 3.065 -3.365 1.00 0.61 H new ATOM 0 HD22 LEU A 46 6.642 4.451 -2.292 1.00 0.61 H new ATOM 0 HD23 LEU A 46 5.307 3.733 -3.224 1.00 0.61 H new ATOM 691 N ASN A 47 5.939 6.419 -7.673 1.00 0.54 N ATOM 692 CA ASN A 47 5.511 5.725 -8.853 1.00 0.59 C ATOM 693 C ASN A 47 5.944 4.284 -8.733 1.00 0.53 C ATOM 694 O ASN A 47 7.080 4.008 -8.316 1.00 0.64 O ATOM 695 CB ASN A 47 6.142 6.322 -10.118 1.00 0.79 C ATOM 696 CG ASN A 47 5.708 7.740 -10.440 1.00 1.54 C ATOM 697 OD1 ASN A 47 6.334 8.709 -10.010 1.00 2.47 O ATOM 698 ND2 ASN A 47 4.674 7.875 -11.226 1.00 1.94 N ATOM 0 H ASN A 47 6.835 6.899 -7.764 1.00 0.54 H new ATOM 0 HA ASN A 47 4.428 5.814 -8.938 1.00 0.59 H new ATOM 0 HB2 ASN A 47 7.226 6.305 -10.008 1.00 0.79 H new ATOM 0 HB3 ASN A 47 5.898 5.681 -10.965 1.00 0.79 H new ATOM 0 HD21 ASN A 47 4.362 8.806 -11.502 1.00 1.94 H new ATOM 0 HD22 ASN A 47 4.179 7.050 -11.564 1.00 1.94 H new ATOM 705 N GLU A 48 5.061 3.371 -9.057 1.00 0.49 N ATOM 706 CA GLU A 48 5.384 1.964 -9.017 1.00 0.53 C ATOM 707 C GLU A 48 6.304 1.618 -10.162 1.00 0.53 C ATOM 708 O GLU A 48 6.146 2.130 -11.285 1.00 0.70 O ATOM 709 CB GLU A 48 4.131 1.109 -9.081 1.00 0.69 C ATOM 710 CG GLU A 48 3.200 1.283 -7.903 1.00 0.74 C ATOM 711 CD GLU A 48 1.977 0.434 -8.041 1.00 1.12 C ATOM 712 OE1 GLU A 48 0.972 0.906 -8.618 1.00 1.56 O ATOM 713 OE2 GLU A 48 1.989 -0.731 -7.597 1.00 1.74 O ATOM 0 H GLU A 48 4.107 3.578 -9.353 1.00 0.49 H new ATOM 0 HA GLU A 48 5.885 1.757 -8.072 1.00 0.53 H new ATOM 0 HB2 GLU A 48 3.589 1.347 -9.996 1.00 0.69 H new ATOM 0 HB3 GLU A 48 4.423 0.061 -9.147 1.00 0.69 H new ATOM 0 HG2 GLU A 48 3.723 1.022 -6.983 1.00 0.74 H new ATOM 0 HG3 GLU A 48 2.910 2.330 -7.819 1.00 0.74 H new ATOM 720 N THR A 49 7.241 0.773 -9.894 1.00 0.53 N ATOM 721 CA THR A 49 8.219 0.385 -10.853 1.00 0.58 C ATOM 722 C THR A 49 8.199 -1.129 -11.007 1.00 0.60 C ATOM 723 O THR A 49 7.233 -1.782 -10.590 1.00 0.65 O ATOM 724 CB THR A 49 9.632 0.845 -10.410 1.00 0.71 C ATOM 725 OG1 THR A 49 9.913 0.345 -9.086 1.00 1.57 O ATOM 726 CG2 THR A 49 9.757 2.366 -10.423 1.00 0.98 C ATOM 0 H THR A 49 7.351 0.324 -8.985 1.00 0.53 H new ATOM 0 HA THR A 49 7.984 0.858 -11.807 1.00 0.58 H new ATOM 0 HB THR A 49 10.355 0.443 -11.120 1.00 0.71 H new ATOM 0 HG1 THR A 49 10.807 0.636 -8.809 1.00 1.57 H new ATOM 0 HG21 THR A 49 10.760 2.651 -10.107 1.00 0.98 H new ATOM 0 HG22 THR A 49 9.575 2.737 -11.431 1.00 0.98 H new ATOM 0 HG23 THR A 49 9.025 2.797 -9.740 1.00 0.98 H new ATOM 734 N SER A 50 9.220 -1.689 -11.584 1.00 0.68 N ATOM 735 CA SER A 50 9.311 -3.113 -11.683 1.00 0.78 C ATOM 736 C SER A 50 9.855 -3.695 -10.364 1.00 0.72 C ATOM 737 O SER A 50 9.695 -4.874 -10.085 1.00 0.86 O ATOM 738 CB SER A 50 10.230 -3.453 -12.834 1.00 0.96 C ATOM 739 OG SER A 50 9.848 -2.725 -14.003 1.00 1.52 O ATOM 0 H SER A 50 10.003 -1.179 -11.994 1.00 0.68 H new ATOM 0 HA SER A 50 8.326 -3.544 -11.863 1.00 0.78 H new ATOM 0 HB2 SER A 50 11.260 -3.215 -12.569 1.00 0.96 H new ATOM 0 HB3 SER A 50 10.192 -4.524 -13.035 1.00 0.96 H new ATOM 0 HG SER A 50 10.451 -2.952 -14.741 1.00 1.52 H new ATOM 745 N PHE A 51 10.466 -2.839 -9.546 1.00 0.64 N ATOM 746 CA PHE A 51 11.094 -3.287 -8.305 1.00 0.68 C ATOM 747 C PHE A 51 10.245 -2.930 -7.092 1.00 0.55 C ATOM 748 O PHE A 51 10.264 -3.632 -6.082 1.00 0.61 O ATOM 749 CB PHE A 51 12.493 -2.686 -8.163 1.00 0.87 C ATOM 750 CG PHE A 51 13.409 -3.011 -9.312 1.00 1.08 C ATOM 751 CD1 PHE A 51 14.019 -4.250 -9.402 1.00 1.39 C ATOM 752 CD2 PHE A 51 13.654 -2.077 -10.301 1.00 1.16 C ATOM 753 CE1 PHE A 51 14.852 -4.552 -10.458 1.00 1.59 C ATOM 754 CE2 PHE A 51 14.486 -2.370 -11.359 1.00 1.37 C ATOM 755 CZ PHE A 51 15.086 -3.611 -11.437 1.00 1.52 C ATOM 0 H PHE A 51 10.539 -1.837 -9.719 1.00 0.64 H new ATOM 0 HA PHE A 51 11.178 -4.373 -8.352 1.00 0.68 H new ATOM 0 HB2 PHE A 51 12.407 -1.603 -8.074 1.00 0.87 H new ATOM 0 HB3 PHE A 51 12.942 -3.047 -7.238 1.00 0.87 H new ATOM 0 HD1 PHE A 51 13.840 -4.989 -8.635 1.00 1.39 H new ATOM 0 HD2 PHE A 51 13.187 -1.105 -10.243 1.00 1.16 H new ATOM 0 HE1 PHE A 51 15.320 -5.524 -10.518 1.00 1.59 H new ATOM 0 HE2 PHE A 51 14.668 -1.631 -12.125 1.00 1.37 H new ATOM 0 HZ PHE A 51 15.739 -3.844 -12.265 1.00 1.52 H new ATOM 765 N ILE A 52 9.530 -1.829 -7.189 1.00 0.46 N ATOM 766 CA ILE A 52 8.646 -1.369 -6.131 1.00 0.39 C ATOM 767 C ILE A 52 7.237 -1.464 -6.676 1.00 0.37 C ATOM 768 O ILE A 52 6.859 -0.667 -7.536 1.00 0.43 O ATOM 769 CB ILE A 52 8.936 0.119 -5.777 1.00 0.41 C ATOM 770 CG1 ILE A 52 10.430 0.324 -5.490 1.00 0.46 C ATOM 771 CG2 ILE A 52 8.104 0.566 -4.569 1.00 0.41 C ATOM 772 CD1 ILE A 52 10.794 1.757 -5.173 1.00 0.50 C ATOM 0 H ILE A 52 9.544 -1.222 -8.008 1.00 0.46 H new ATOM 0 HA ILE A 52 8.788 -1.971 -5.233 1.00 0.39 H new ATOM 0 HB ILE A 52 8.655 0.729 -6.636 1.00 0.41 H new ATOM 0 HG12 ILE A 52 10.721 -0.310 -4.652 1.00 0.46 H new ATOM 0 HG13 ILE A 52 11.006 -0.006 -6.354 1.00 0.46 H new ATOM 0 HG21 ILE A 52 8.324 1.609 -4.341 1.00 0.41 H new ATOM 0 HG22 ILE A 52 7.044 0.461 -4.799 1.00 0.41 H new ATOM 0 HG23 ILE A 52 8.352 -0.054 -3.707 1.00 0.41 H new ATOM 0 HD11 ILE A 52 11.865 1.827 -4.981 1.00 0.50 H new ATOM 0 HD12 ILE A 52 10.535 2.394 -6.019 1.00 0.50 H new ATOM 0 HD13 ILE A 52 10.245 2.085 -4.290 1.00 0.50 H new ATOM 784 N PHE A 53 6.482 -2.423 -6.217 1.00 0.33 N ATOM 785 CA PHE A 53 5.161 -2.671 -6.761 1.00 0.37 C ATOM 786 C PHE A 53 4.174 -3.097 -5.680 1.00 0.31 C ATOM 787 O PHE A 53 4.544 -3.752 -4.690 1.00 0.29 O ATOM 788 CB PHE A 53 5.252 -3.716 -7.899 1.00 0.48 C ATOM 789 CG PHE A 53 6.044 -4.954 -7.546 1.00 1.06 C ATOM 790 CD1 PHE A 53 7.405 -5.012 -7.792 1.00 1.95 C ATOM 791 CD2 PHE A 53 5.437 -6.040 -6.965 1.00 1.15 C ATOM 792 CE1 PHE A 53 8.138 -6.128 -7.457 1.00 2.87 C ATOM 793 CE2 PHE A 53 6.164 -7.163 -6.631 1.00 2.02 C ATOM 794 CZ PHE A 53 7.516 -7.203 -6.877 1.00 2.89 C ATOM 0 H PHE A 53 6.754 -3.053 -5.463 1.00 0.33 H new ATOM 0 HA PHE A 53 4.777 -1.739 -7.176 1.00 0.37 H new ATOM 0 HB2 PHE A 53 4.243 -4.014 -8.184 1.00 0.48 H new ATOM 0 HB3 PHE A 53 5.705 -3.246 -8.772 1.00 0.48 H new ATOM 0 HD1 PHE A 53 7.899 -4.170 -8.253 1.00 1.95 H new ATOM 0 HD2 PHE A 53 4.376 -6.014 -6.767 1.00 1.15 H new ATOM 0 HE1 PHE A 53 9.200 -6.156 -7.651 1.00 2.87 H new ATOM 0 HE2 PHE A 53 5.672 -8.010 -6.177 1.00 2.02 H new ATOM 0 HZ PHE A 53 8.088 -8.081 -6.613 1.00 2.89 H new ATOM 804 N THR A 54 2.942 -2.692 -5.850 1.00 0.35 N ATOM 805 CA THR A 54 1.896 -2.996 -4.916 1.00 0.35 C ATOM 806 C THR A 54 1.279 -4.359 -5.231 1.00 0.35 C ATOM 807 O THR A 54 0.643 -4.550 -6.278 1.00 0.40 O ATOM 808 CB THR A 54 0.796 -1.920 -4.980 1.00 0.39 C ATOM 809 OG1 THR A 54 1.404 -0.627 -4.964 1.00 0.43 O ATOM 810 CG2 THR A 54 -0.130 -2.033 -3.791 1.00 0.44 C ATOM 0 H THR A 54 2.637 -2.137 -6.649 1.00 0.35 H new ATOM 0 HA THR A 54 2.329 -3.017 -3.916 1.00 0.35 H new ATOM 0 HB THR A 54 0.221 -2.063 -5.895 1.00 0.39 H new ATOM 0 HG1 THR A 54 1.838 -0.459 -5.826 1.00 0.43 H new ATOM 0 HG21 THR A 54 -0.900 -1.264 -3.855 1.00 0.44 H new ATOM 0 HG22 THR A 54 -0.599 -3.017 -3.787 1.00 0.44 H new ATOM 0 HG23 THR A 54 0.440 -1.900 -2.872 1.00 0.44 H new ATOM 818 N GLU A 55 1.481 -5.290 -4.348 1.00 0.36 N ATOM 819 CA GLU A 55 0.933 -6.600 -4.474 1.00 0.42 C ATOM 820 C GLU A 55 -0.329 -6.727 -3.692 1.00 0.44 C ATOM 821 O GLU A 55 -0.320 -6.649 -2.472 1.00 0.57 O ATOM 822 CB GLU A 55 1.923 -7.665 -4.031 1.00 0.60 C ATOM 823 CG GLU A 55 3.016 -7.895 -5.023 1.00 1.21 C ATOM 824 CD GLU A 55 2.443 -8.245 -6.371 1.00 1.38 C ATOM 825 OE1 GLU A 55 2.831 -7.627 -7.374 1.00 1.67 O ATOM 826 OE2 GLU A 55 1.594 -9.133 -6.463 1.00 2.04 O ATOM 0 H GLU A 55 2.041 -5.155 -3.507 1.00 0.36 H new ATOM 0 HA GLU A 55 0.713 -6.755 -5.530 1.00 0.42 H new ATOM 0 HB2 GLU A 55 2.361 -7.371 -3.077 1.00 0.60 H new ATOM 0 HB3 GLU A 55 1.390 -8.601 -3.862 1.00 0.60 H new ATOM 0 HG2 GLU A 55 3.634 -7.001 -5.105 1.00 1.21 H new ATOM 0 HG3 GLU A 55 3.665 -8.700 -4.677 1.00 1.21 H new ATOM 833 N PHE A 56 -1.409 -6.881 -4.382 1.00 0.52 N ATOM 834 CA PHE A 56 -2.671 -7.112 -3.751 1.00 0.62 C ATOM 835 C PHE A 56 -2.869 -8.593 -3.628 1.00 0.73 C ATOM 836 O PHE A 56 -2.450 -9.355 -4.522 1.00 0.87 O ATOM 837 CB PHE A 56 -3.816 -6.491 -4.550 1.00 0.68 C ATOM 838 CG PHE A 56 -3.767 -4.997 -4.620 1.00 0.63 C ATOM 839 CD1 PHE A 56 -4.292 -4.238 -3.597 1.00 0.69 C ATOM 840 CD2 PHE A 56 -3.205 -4.351 -5.708 1.00 0.61 C ATOM 841 CE1 PHE A 56 -4.261 -2.866 -3.652 1.00 0.69 C ATOM 842 CE2 PHE A 56 -3.167 -2.975 -5.771 1.00 0.59 C ATOM 843 CZ PHE A 56 -3.697 -2.229 -4.740 1.00 0.61 C ATOM 0 H PHE A 56 -1.445 -6.851 -5.401 1.00 0.52 H new ATOM 0 HA PHE A 56 -2.672 -6.644 -2.767 1.00 0.62 H new ATOM 0 HB2 PHE A 56 -3.799 -6.893 -5.563 1.00 0.68 H new ATOM 0 HB3 PHE A 56 -4.763 -6.793 -4.103 1.00 0.68 H new ATOM 0 HD1 PHE A 56 -4.733 -4.728 -2.742 1.00 0.69 H new ATOM 0 HD2 PHE A 56 -2.791 -4.933 -6.518 1.00 0.61 H new ATOM 0 HE1 PHE A 56 -4.678 -2.284 -2.843 1.00 0.69 H new ATOM 0 HE2 PHE A 56 -2.724 -2.483 -6.624 1.00 0.59 H new ATOM 0 HZ PHE A 56 -3.671 -1.150 -4.783 1.00 0.61 H new ATOM 853 N LEU A 57 -3.447 -9.013 -2.549 1.00 0.77 N ATOM 854 CA LEU A 57 -3.709 -10.399 -2.338 1.00 0.93 C ATOM 855 C LEU A 57 -5.203 -10.563 -2.222 1.00 1.04 C ATOM 856 O LEU A 57 -5.912 -9.584 -1.981 1.00 1.04 O ATOM 857 CB LEU A 57 -2.912 -10.939 -1.111 1.00 1.01 C ATOM 858 CG LEU A 57 -3.233 -10.403 0.294 1.00 0.99 C ATOM 859 CD1 LEU A 57 -4.436 -11.118 0.895 1.00 1.25 C ATOM 860 CD2 LEU A 57 -2.020 -10.536 1.199 1.00 1.16 C ATOM 0 H LEU A 57 -3.751 -8.404 -1.789 1.00 0.77 H new ATOM 0 HA LEU A 57 -3.362 -11.004 -3.176 1.00 0.93 H new ATOM 0 HB2 LEU A 57 -3.044 -12.021 -1.086 1.00 1.01 H new ATOM 0 HB3 LEU A 57 -1.855 -10.751 -1.299 1.00 1.01 H new ATOM 0 HG LEU A 57 -3.486 -9.347 0.205 1.00 0.99 H new ATOM 0 HD11 LEU A 57 -4.638 -10.717 1.888 1.00 1.25 H new ATOM 0 HD12 LEU A 57 -5.307 -10.964 0.257 1.00 1.25 H new ATOM 0 HD13 LEU A 57 -4.225 -12.185 0.970 1.00 1.25 H new ATOM 0 HD21 LEU A 57 -2.262 -10.153 2.190 1.00 1.16 H new ATOM 0 HD22 LEU A 57 -1.736 -11.586 1.275 1.00 1.16 H new ATOM 0 HD23 LEU A 57 -1.190 -9.965 0.782 1.00 1.16 H new ATOM 872 N GLU A 58 -5.664 -11.776 -2.397 1.00 1.18 N ATOM 873 CA GLU A 58 -7.084 -12.080 -2.458 1.00 1.31 C ATOM 874 C GLU A 58 -7.823 -11.862 -1.138 1.00 1.24 C ATOM 875 O GLU A 58 -7.569 -12.565 -0.152 1.00 1.32 O ATOM 876 CB GLU A 58 -7.285 -13.500 -2.950 1.00 1.61 C ATOM 877 CG GLU A 58 -6.907 -13.686 -4.401 1.00 2.01 C ATOM 878 CD GLU A 58 -7.001 -15.110 -4.847 1.00 2.65 C ATOM 879 OE1 GLU A 58 -5.948 -15.698 -5.210 1.00 3.36 O ATOM 880 OE2 GLU A 58 -8.107 -15.684 -4.849 1.00 2.90 O ATOM 0 H GLU A 58 -5.063 -12.593 -2.503 1.00 1.18 H new ATOM 0 HA GLU A 58 -7.521 -11.372 -3.162 1.00 1.31 H new ATOM 0 HB2 GLU A 58 -6.691 -14.178 -2.337 1.00 1.61 H new ATOM 0 HB3 GLU A 58 -8.330 -13.780 -2.815 1.00 1.61 H new ATOM 0 HG2 GLU A 58 -7.558 -13.072 -5.023 1.00 2.01 H new ATOM 0 HG3 GLU A 58 -5.889 -13.328 -4.555 1.00 2.01 H new ATOM 887 N PRO A 59 -8.743 -10.877 -1.098 1.00 1.21 N ATOM 888 CA PRO A 59 -9.598 -10.632 0.059 1.00 1.25 C ATOM 889 C PRO A 59 -10.768 -11.612 0.048 1.00 1.26 C ATOM 890 O PRO A 59 -11.110 -12.177 -1.001 1.00 1.35 O ATOM 891 CB PRO A 59 -10.129 -9.200 -0.177 1.00 1.37 C ATOM 892 CG PRO A 59 -9.449 -8.700 -1.410 1.00 1.39 C ATOM 893 CD PRO A 59 -9.026 -9.913 -2.173 1.00 1.30 C ATOM 0 HA PRO A 59 -9.075 -10.748 1.009 1.00 1.25 H new ATOM 0 HB2 PRO A 59 -11.212 -9.202 -0.304 1.00 1.37 H new ATOM 0 HB3 PRO A 59 -9.909 -8.558 0.676 1.00 1.37 H new ATOM 0 HG2 PRO A 59 -10.123 -8.082 -2.003 1.00 1.39 H new ATOM 0 HG3 PRO A 59 -8.589 -8.080 -1.156 1.00 1.39 H new ATOM 0 HD2 PRO A 59 -9.811 -10.268 -2.841 1.00 1.30 H new ATOM 0 HD3 PRO A 59 -8.147 -9.720 -2.788 1.00 1.30 H new ATOM 901 N ALA A 60 -11.361 -11.842 1.188 1.00 1.29 N ATOM 902 CA ALA A 60 -12.481 -12.745 1.279 1.00 1.40 C ATOM 903 C ALA A 60 -13.732 -12.015 0.835 1.00 1.40 C ATOM 904 O ALA A 60 -13.888 -10.834 1.101 1.00 1.33 O ATOM 905 CB ALA A 60 -12.635 -13.244 2.711 1.00 1.53 C ATOM 0 H ALA A 60 -11.087 -11.415 2.073 1.00 1.29 H new ATOM 0 HA ALA A 60 -12.315 -13.608 0.634 1.00 1.40 H new ATOM 0 HB1 ALA A 60 -13.484 -13.925 2.770 1.00 1.53 H new ATOM 0 HB2 ALA A 60 -11.728 -13.767 3.013 1.00 1.53 H new ATOM 0 HB3 ALA A 60 -12.804 -12.397 3.375 1.00 1.53 H new ATOM 911 N ALA A 61 -14.639 -12.714 0.199 1.00 1.55 N ATOM 912 CA ALA A 61 -15.867 -12.107 -0.309 1.00 1.65 C ATOM 913 C ALA A 61 -16.903 -11.936 0.805 1.00 1.59 C ATOM 914 O ALA A 61 -18.096 -11.794 0.559 1.00 1.70 O ATOM 915 CB ALA A 61 -16.427 -12.932 -1.447 1.00 1.91 C ATOM 0 H ALA A 61 -14.558 -13.714 0.014 1.00 1.55 H new ATOM 0 HA ALA A 61 -15.626 -11.114 -0.687 1.00 1.65 H new ATOM 0 HB1 ALA A 61 -17.342 -12.469 -1.816 1.00 1.91 H new ATOM 0 HB2 ALA A 61 -15.695 -12.984 -2.253 1.00 1.91 H new ATOM 0 HB3 ALA A 61 -16.648 -13.939 -1.092 1.00 1.91 H new ATOM 921 N ASN A 62 -16.426 -11.973 2.023 1.00 1.52 N ATOM 922 CA ASN A 62 -17.231 -11.776 3.207 1.00 1.56 C ATOM 923 C ASN A 62 -16.657 -10.626 4.009 1.00 1.33 C ATOM 924 O ASN A 62 -17.047 -10.384 5.153 1.00 1.40 O ATOM 925 CB ASN A 62 -17.261 -13.049 4.066 1.00 1.82 C ATOM 926 CG ASN A 62 -18.024 -14.192 3.422 1.00 2.72 C ATOM 927 OD1 ASN A 62 -17.472 -14.962 2.639 1.00 3.49 O ATOM 928 ND2 ASN A 62 -19.269 -14.348 3.769 1.00 3.19 N ATOM 0 H ASN A 62 -15.442 -12.145 2.227 1.00 1.52 H new ATOM 0 HA ASN A 62 -18.253 -11.546 2.906 1.00 1.56 H new ATOM 0 HB2 ASN A 62 -16.238 -13.370 4.263 1.00 1.82 H new ATOM 0 HB3 ASN A 62 -17.714 -12.817 5.030 1.00 1.82 H new ATOM 0 HD21 ASN A 62 -19.811 -15.124 3.389 1.00 3.19 H new ATOM 0 HD22 ASN A 62 -19.703 -13.694 4.421 1.00 3.19 H new ATOM 935 N GLU A 63 -15.710 -9.927 3.410 1.00 1.20 N ATOM 936 CA GLU A 63 -15.088 -8.791 4.033 1.00 1.07 C ATOM 937 C GLU A 63 -15.003 -7.697 2.990 1.00 0.90 C ATOM 938 O GLU A 63 -15.123 -7.974 1.801 1.00 0.97 O ATOM 939 CB GLU A 63 -13.664 -9.136 4.541 1.00 1.16 C ATOM 940 CG GLU A 63 -12.623 -9.332 3.437 1.00 1.31 C ATOM 941 CD GLU A 63 -11.242 -9.617 3.954 1.00 1.42 C ATOM 942 OE1 GLU A 63 -10.684 -8.801 4.729 1.00 1.48 O ATOM 943 OE2 GLU A 63 -10.666 -10.652 3.591 1.00 1.89 O ATOM 0 H GLU A 63 -15.356 -10.138 2.477 1.00 1.20 H new ATOM 0 HA GLU A 63 -15.676 -8.476 4.895 1.00 1.07 H new ATOM 0 HB2 GLU A 63 -13.326 -8.339 5.203 1.00 1.16 H new ATOM 0 HB3 GLU A 63 -13.716 -10.046 5.138 1.00 1.16 H new ATOM 0 HG2 GLU A 63 -12.938 -10.154 2.795 1.00 1.31 H new ATOM 0 HG3 GLU A 63 -12.592 -8.437 2.816 1.00 1.31 H new ATOM 950 N THR A 64 -14.837 -6.488 3.414 1.00 0.80 N ATOM 951 CA THR A 64 -14.650 -5.392 2.503 1.00 0.74 C ATOM 952 C THR A 64 -13.289 -4.747 2.744 1.00 0.59 C ATOM 953 O THR A 64 -13.116 -3.536 2.637 1.00 0.61 O ATOM 954 CB THR A 64 -15.806 -4.364 2.615 1.00 0.90 C ATOM 955 OG1 THR A 64 -16.193 -4.209 3.995 1.00 1.30 O ATOM 956 CG2 THR A 64 -17.016 -4.803 1.798 1.00 1.15 C ATOM 0 H THR A 64 -14.826 -6.225 4.399 1.00 0.80 H new ATOM 0 HA THR A 64 -14.670 -5.774 1.482 1.00 0.74 H new ATOM 0 HB THR A 64 -15.449 -3.413 2.221 1.00 0.90 H new ATOM 0 HG1 THR A 64 -16.867 -3.502 4.068 1.00 1.30 H new ATOM 0 HG21 THR A 64 -17.810 -4.062 1.896 1.00 1.15 H new ATOM 0 HG22 THR A 64 -16.733 -4.895 0.749 1.00 1.15 H new ATOM 0 HG23 THR A 64 -17.372 -5.766 2.163 1.00 1.15 H new ATOM 964 N VAL A 65 -12.322 -5.584 3.100 1.00 0.53 N ATOM 965 CA VAL A 65 -10.979 -5.131 3.363 1.00 0.45 C ATOM 966 C VAL A 65 -10.064 -5.604 2.257 1.00 0.42 C ATOM 967 O VAL A 65 -10.012 -6.792 1.954 1.00 0.49 O ATOM 968 CB VAL A 65 -10.405 -5.676 4.698 1.00 0.52 C ATOM 969 CG1 VAL A 65 -9.091 -4.996 5.035 1.00 0.50 C ATOM 970 CG2 VAL A 65 -11.395 -5.576 5.843 1.00 0.61 C ATOM 0 H VAL A 65 -12.455 -6.589 3.212 1.00 0.53 H new ATOM 0 HA VAL A 65 -11.027 -4.044 3.423 1.00 0.45 H new ATOM 0 HB VAL A 65 -10.213 -6.739 4.555 1.00 0.52 H new ATOM 0 HG11 VAL A 65 -8.706 -5.393 5.974 1.00 0.50 H new ATOM 0 HG12 VAL A 65 -8.370 -5.183 4.239 1.00 0.50 H new ATOM 0 HG13 VAL A 65 -9.252 -3.922 5.133 1.00 0.50 H new ATOM 0 HG21 VAL A 65 -10.941 -5.971 6.752 1.00 0.61 H new ATOM 0 HG22 VAL A 65 -11.668 -4.532 5.998 1.00 0.61 H new ATOM 0 HG23 VAL A 65 -12.288 -6.153 5.603 1.00 0.61 H new ATOM 980 N ARG A 66 -9.341 -4.697 1.679 1.00 0.37 N ATOM 981 CA ARG A 66 -8.381 -5.028 0.656 1.00 0.36 C ATOM 982 C ARG A 66 -7.067 -5.263 1.358 1.00 0.34 C ATOM 983 O ARG A 66 -6.646 -4.442 2.188 1.00 0.41 O ATOM 984 CB ARG A 66 -8.221 -3.883 -0.353 1.00 0.42 C ATOM 985 CG ARG A 66 -9.503 -3.462 -1.059 1.00 1.13 C ATOM 986 CD ARG A 66 -9.270 -2.270 -1.992 1.00 1.10 C ATOM 987 NE ARG A 66 -8.330 -2.573 -3.089 1.00 0.82 N ATOM 988 CZ ARG A 66 -8.004 -1.736 -4.098 1.00 1.15 C ATOM 989 NH1 ARG A 66 -8.417 -0.466 -4.079 1.00 1.61 N ATOM 990 NH2 ARG A 66 -7.248 -2.165 -5.111 1.00 1.84 N ATOM 0 H ARG A 66 -9.395 -3.702 1.899 1.00 0.37 H new ATOM 0 HA ARG A 66 -8.712 -5.906 0.102 1.00 0.36 H new ATOM 0 HB2 ARG A 66 -7.809 -3.017 0.165 1.00 0.42 H new ATOM 0 HB3 ARG A 66 -7.491 -4.182 -1.105 1.00 0.42 H new ATOM 0 HG2 ARG A 66 -9.895 -4.302 -1.632 1.00 1.13 H new ATOM 0 HG3 ARG A 66 -10.258 -3.202 -0.317 1.00 1.13 H new ATOM 0 HD2 ARG A 66 -10.224 -1.954 -2.415 1.00 1.10 H new ATOM 0 HD3 ARG A 66 -8.885 -1.431 -1.412 1.00 1.10 H new ATOM 0 HE ARG A 66 -7.889 -3.493 -3.085 1.00 0.82 H new ATOM 0 HH11 ARG A 66 -8.981 -0.125 -3.301 1.00 1.61 H new ATOM 0 HH12 ARG A 66 -8.169 0.163 -4.843 1.00 1.61 H new ATOM 0 HH21 ARG A 66 -6.914 -3.129 -5.126 1.00 1.84 H new ATOM 0 HH22 ARG A 66 -7.005 -1.529 -5.871 1.00 1.84 H new ATOM 1004 N HIS A 67 -6.441 -6.366 1.078 1.00 0.35 N ATOM 1005 CA HIS A 67 -5.191 -6.693 1.724 1.00 0.39 C ATOM 1006 C HIS A 67 -4.117 -6.687 0.697 1.00 0.35 C ATOM 1007 O HIS A 67 -4.302 -7.224 -0.402 1.00 0.46 O ATOM 1008 CB HIS A 67 -5.231 -8.073 2.390 1.00 0.53 C ATOM 1009 CG HIS A 67 -6.286 -8.247 3.425 1.00 0.69 C ATOM 1010 ND1 HIS A 67 -6.064 -8.102 4.770 1.00 1.08 N ATOM 1011 CD2 HIS A 67 -7.584 -8.582 3.297 1.00 0.72 C ATOM 1012 CE1 HIS A 67 -7.179 -8.339 5.418 1.00 1.16 C ATOM 1013 NE2 HIS A 67 -8.112 -8.632 4.542 1.00 0.90 N ATOM 0 H HIS A 67 -6.770 -7.060 0.407 1.00 0.35 H new ATOM 0 HA HIS A 67 -5.005 -5.953 2.502 1.00 0.39 H new ATOM 0 HB2 HIS A 67 -5.375 -8.828 1.617 1.00 0.53 H new ATOM 0 HB3 HIS A 67 -4.261 -8.266 2.847 1.00 0.53 H new ATOM 0 HD2 HIS A 67 -8.107 -8.775 2.372 1.00 0.72 H new ATOM 0 HE1 HIS A 67 -7.308 -8.300 6.490 1.00 1.16 H new ATOM 0 HE2 HIS A 67 -9.081 -8.861 4.764 1.00 0.90 H new ATOM 1022 N GLY A 68 -3.023 -6.091 1.011 1.00 0.30 N ATOM 1023 CA GLY A 68 -1.961 -6.048 0.087 1.00 0.31 C ATOM 1024 C GLY A 68 -0.665 -5.750 0.752 1.00 0.24 C ATOM 1025 O GLY A 68 -0.614 -5.538 1.967 1.00 0.26 O ATOM 0 H GLY A 68 -2.845 -5.628 1.902 1.00 0.30 H new ATOM 0 HA2 GLY A 68 -1.892 -7.004 -0.433 1.00 0.31 H new ATOM 0 HA3 GLY A 68 -2.166 -5.289 -0.668 1.00 0.31 H new ATOM 1029 N CYS A 69 0.350 -5.714 -0.029 1.00 0.21 N ATOM 1030 CA CYS A 69 1.674 -5.441 0.407 1.00 0.20 C ATOM 1031 C CYS A 69 2.410 -4.649 -0.647 1.00 0.19 C ATOM 1032 O CYS A 69 2.331 -4.967 -1.830 1.00 0.22 O ATOM 1033 CB CYS A 69 2.412 -6.761 0.646 1.00 0.25 C ATOM 1034 SG CYS A 69 4.219 -6.586 0.767 1.00 0.36 S ATOM 0 H CYS A 69 0.281 -5.881 -1.033 1.00 0.21 H new ATOM 0 HA CYS A 69 1.633 -4.864 1.331 1.00 0.20 H new ATOM 0 HB2 CYS A 69 2.039 -7.213 1.565 1.00 0.25 H new ATOM 0 HB3 CYS A 69 2.177 -7.449 -0.166 1.00 0.25 H new ATOM 1039 N LEU A 70 3.076 -3.599 -0.247 1.00 0.20 N ATOM 1040 CA LEU A 70 3.960 -2.923 -1.153 1.00 0.22 C ATOM 1041 C LEU A 70 5.255 -3.679 -1.078 1.00 0.23 C ATOM 1042 O LEU A 70 5.963 -3.623 -0.060 1.00 0.24 O ATOM 1043 CB LEU A 70 4.175 -1.458 -0.775 1.00 0.24 C ATOM 1044 CG LEU A 70 5.061 -0.648 -1.737 1.00 0.25 C ATOM 1045 CD1 LEU A 70 4.436 -0.551 -3.115 1.00 0.26 C ATOM 1046 CD2 LEU A 70 5.320 0.732 -1.193 1.00 0.28 C ATOM 0 H LEU A 70 3.024 -3.198 0.689 1.00 0.20 H new ATOM 0 HA LEU A 70 3.541 -2.906 -2.159 1.00 0.22 H new ATOM 0 HB2 LEU A 70 3.202 -0.972 -0.709 1.00 0.24 H new ATOM 0 HB3 LEU A 70 4.619 -1.419 0.220 1.00 0.24 H new ATOM 0 HG LEU A 70 6.010 -1.176 -1.827 1.00 0.25 H new ATOM 0 HD11 LEU A 70 5.087 0.028 -3.770 1.00 0.26 H new ATOM 0 HD12 LEU A 70 4.304 -1.552 -3.526 1.00 0.26 H new ATOM 0 HD13 LEU A 70 3.466 -0.059 -3.041 1.00 0.26 H new ATOM 0 HD21 LEU A 70 5.949 1.286 -1.890 1.00 0.28 H new ATOM 0 HD22 LEU A 70 4.373 1.256 -1.063 1.00 0.28 H new ATOM 0 HD23 LEU A 70 5.826 0.655 -0.231 1.00 0.28 H new ATOM 1058 N ARG A 71 5.529 -4.433 -2.086 1.00 0.30 N ATOM 1059 CA ARG A 71 6.656 -5.297 -2.070 1.00 0.35 C ATOM 1060 C ARG A 71 7.786 -4.682 -2.842 1.00 0.36 C ATOM 1061 O ARG A 71 7.625 -4.309 -4.009 1.00 0.42 O ATOM 1062 CB ARG A 71 6.297 -6.661 -2.665 1.00 0.51 C ATOM 1063 CG ARG A 71 7.428 -7.679 -2.609 1.00 1.20 C ATOM 1064 CD ARG A 71 7.073 -8.959 -3.348 1.00 1.20 C ATOM 1065 NE ARG A 71 5.899 -9.643 -2.788 1.00 1.43 N ATOM 1066 CZ ARG A 71 5.067 -10.442 -3.483 1.00 1.80 C ATOM 1067 NH1 ARG A 71 5.248 -10.630 -4.794 1.00 1.98 N ATOM 1068 NH2 ARG A 71 4.069 -11.047 -2.857 1.00 2.68 N ATOM 0 H ARG A 71 4.978 -4.467 -2.944 1.00 0.30 H new ATOM 0 HA ARG A 71 6.967 -5.441 -1.035 1.00 0.35 H new ATOM 0 HB2 ARG A 71 5.434 -7.062 -2.133 1.00 0.51 H new ATOM 0 HB3 ARG A 71 5.996 -6.525 -3.704 1.00 0.51 H new ATOM 0 HG2 ARG A 71 8.329 -7.246 -3.044 1.00 1.20 H new ATOM 0 HG3 ARG A 71 7.657 -7.911 -1.569 1.00 1.20 H new ATOM 0 HD2 ARG A 71 6.884 -8.726 -4.396 1.00 1.20 H new ATOM 0 HD3 ARG A 71 7.927 -9.636 -3.321 1.00 1.20 H new ATOM 0 HE ARG A 71 5.699 -9.502 -1.798 1.00 1.43 H new ATOM 0 HH11 ARG A 71 6.020 -10.167 -5.274 1.00 1.98 H new ATOM 0 HH12 ARG A 71 4.614 -11.236 -5.315 1.00 1.98 H new ATOM 0 HH21 ARG A 71 3.935 -10.906 -1.856 1.00 2.68 H new ATOM 0 HH22 ARG A 71 3.434 -11.654 -3.376 1.00 2.68 H new ATOM 1082 N LEU A 72 8.900 -4.537 -2.198 1.00 0.37 N ATOM 1083 CA LEU A 72 10.062 -4.085 -2.871 1.00 0.42 C ATOM 1084 C LEU A 72 10.977 -5.254 -3.043 1.00 0.44 C ATOM 1085 O LEU A 72 11.550 -5.781 -2.067 1.00 0.49 O ATOM 1086 CB LEU A 72 10.770 -2.910 -2.159 1.00 0.50 C ATOM 1087 CG LEU A 72 10.018 -1.563 -2.159 1.00 0.70 C ATOM 1088 CD1 LEU A 72 8.858 -1.534 -1.176 1.00 1.23 C ATOM 1089 CD2 LEU A 72 10.955 -0.396 -1.922 1.00 0.61 C ATOM 0 H LEU A 72 9.024 -4.727 -1.204 1.00 0.37 H new ATOM 0 HA LEU A 72 9.767 -3.682 -3.840 1.00 0.42 H new ATOM 0 HB2 LEU A 72 10.957 -3.198 -1.125 1.00 0.50 H new ATOM 0 HB3 LEU A 72 11.742 -2.760 -2.629 1.00 0.50 H new ATOM 0 HG LEU A 72 9.592 -1.459 -3.157 1.00 0.70 H new ATOM 0 HD11 LEU A 72 8.367 -0.562 -1.221 1.00 1.23 H new ATOM 0 HD12 LEU A 72 8.142 -2.314 -1.435 1.00 1.23 H new ATOM 0 HD13 LEU A 72 9.232 -1.705 -0.167 1.00 1.23 H new ATOM 0 HD21 LEU A 72 10.387 0.534 -1.929 1.00 0.61 H new ATOM 0 HD22 LEU A 72 11.446 -0.514 -0.956 1.00 0.61 H new ATOM 0 HD23 LEU A 72 11.707 -0.368 -2.710 1.00 0.61 H new ATOM 1101 N ASN A 73 11.072 -5.692 -4.270 1.00 0.56 N ATOM 1102 CA ASN A 73 11.902 -6.823 -4.622 1.00 0.72 C ATOM 1103 C ASN A 73 13.368 -6.424 -4.564 1.00 0.73 C ATOM 1104 O ASN A 73 14.218 -7.199 -4.159 1.00 0.87 O ATOM 1105 CB ASN A 73 11.511 -7.373 -5.996 1.00 0.90 C ATOM 1106 CG ASN A 73 12.250 -8.650 -6.364 1.00 1.41 C ATOM 1107 OD1 ASN A 73 11.834 -9.743 -5.986 1.00 2.18 O ATOM 1108 ND2 ASN A 73 13.294 -8.536 -7.140 1.00 1.84 N ATOM 0 H ASN A 73 10.576 -5.276 -5.059 1.00 0.56 H new ATOM 0 HA ASN A 73 11.744 -7.625 -3.901 1.00 0.72 H new ATOM 0 HB2 ASN A 73 10.438 -7.565 -6.011 1.00 0.90 H new ATOM 0 HB3 ASN A 73 11.710 -6.615 -6.753 1.00 0.90 H new ATOM 0 HD21 ASN A 73 13.791 -9.370 -7.451 1.00 1.84 H new ATOM 0 HD22 ASN A 73 13.612 -7.613 -7.435 1.00 1.84 H new ATOM 1115 N GLN A 74 13.653 -5.204 -4.935 1.00 0.66 N ATOM 1116 CA GLN A 74 14.969 -4.687 -4.777 1.00 0.72 C ATOM 1117 C GLN A 74 14.909 -3.629 -3.693 1.00 0.66 C ATOM 1118 O GLN A 74 14.300 -2.572 -3.899 1.00 0.69 O ATOM 1119 CB GLN A 74 15.494 -4.087 -6.079 1.00 0.86 C ATOM 1120 CG GLN A 74 16.947 -3.644 -5.988 1.00 1.58 C ATOM 1121 CD GLN A 74 17.499 -3.095 -7.288 1.00 2.11 C ATOM 1122 OE1 GLN A 74 16.684 -2.439 -8.064 1.00 2.82 O flip ATOM 1123 NE2 GLN A 74 18.682 -3.242 -7.569 1.00 2.58 N flip ATOM 0 H GLN A 74 12.984 -4.555 -5.349 1.00 0.66 H new ATOM 0 HA GLN A 74 15.654 -5.490 -4.503 1.00 0.72 H new ATOM 0 HB2 GLN A 74 15.394 -4.822 -6.877 1.00 0.86 H new ATOM 0 HB3 GLN A 74 14.876 -3.232 -6.353 1.00 0.86 H new ATOM 0 HG2 GLN A 74 17.037 -2.881 -5.214 1.00 1.58 H new ATOM 0 HG3 GLN A 74 17.557 -4.491 -5.673 1.00 1.58 H new ATOM 0 HE21 GLN A 74 19.295 -3.761 -6.940 1.00 2.58 H new ATOM 0 HE22 GLN A 74 19.054 -2.845 -8.432 1.00 2.58 H new ATOM 1132 N PRO A 75 15.462 -3.907 -2.507 1.00 0.75 N ATOM 1133 CA PRO A 75 15.464 -2.941 -1.429 1.00 0.84 C ATOM 1134 C PRO A 75 16.426 -1.815 -1.747 1.00 0.81 C ATOM 1135 O PRO A 75 17.581 -2.051 -2.107 1.00 0.83 O ATOM 1136 CB PRO A 75 15.954 -3.734 -0.207 1.00 1.06 C ATOM 1137 CG PRO A 75 15.996 -5.168 -0.641 1.00 1.25 C ATOM 1138 CD PRO A 75 16.137 -5.156 -2.129 1.00 0.93 C ATOM 0 HA PRO A 75 14.486 -2.489 -1.265 1.00 0.84 H new ATOM 0 HB2 PRO A 75 16.939 -3.393 0.111 1.00 1.06 H new ATOM 0 HB3 PRO A 75 15.282 -3.601 0.641 1.00 1.06 H new ATOM 0 HG2 PRO A 75 16.832 -5.690 -0.176 1.00 1.25 H new ATOM 0 HG3 PRO A 75 15.088 -5.691 -0.341 1.00 1.25 H new ATOM 0 HD2 PRO A 75 17.183 -5.160 -2.437 1.00 0.93 H new ATOM 0 HD3 PRO A 75 15.666 -6.026 -2.587 1.00 0.93 H new ATOM 1146 N THR A 76 15.964 -0.613 -1.622 1.00 0.86 N ATOM 1147 CA THR A 76 16.758 0.524 -1.948 1.00 0.90 C ATOM 1148 C THR A 76 16.797 1.481 -0.768 1.00 0.84 C ATOM 1149 O THR A 76 15.795 1.676 -0.070 1.00 0.79 O ATOM 1150 CB THR A 76 16.145 1.231 -3.178 1.00 1.07 C ATOM 1151 OG1 THR A 76 14.725 1.384 -2.986 1.00 1.17 O ATOM 1152 CG2 THR A 76 16.409 0.452 -4.463 1.00 1.22 C ATOM 0 H THR A 76 15.025 -0.393 -1.291 1.00 0.86 H new ATOM 0 HA THR A 76 17.775 0.207 -2.177 1.00 0.90 H new ATOM 0 HB THR A 76 16.617 2.209 -3.277 1.00 1.07 H new ATOM 0 HG1 THR A 76 14.260 1.210 -3.831 1.00 1.17 H new ATOM 0 HG21 THR A 76 15.963 0.979 -5.306 1.00 1.22 H new ATOM 0 HG22 THR A 76 17.484 0.361 -4.619 1.00 1.22 H new ATOM 0 HG23 THR A 76 15.969 -0.542 -4.383 1.00 1.22 H new ATOM 1160 N HIS A 77 17.952 2.075 -0.535 1.00 0.92 N ATOM 1161 CA HIS A 77 18.091 3.020 0.544 1.00 0.94 C ATOM 1162 C HIS A 77 17.547 4.364 0.101 1.00 0.81 C ATOM 1163 O HIS A 77 17.238 5.204 0.919 1.00 0.85 O ATOM 1164 CB HIS A 77 19.557 3.152 1.068 1.00 1.20 C ATOM 1165 CG HIS A 77 20.483 4.018 0.254 1.00 1.36 C ATOM 1166 ND1 HIS A 77 20.823 5.306 0.615 1.00 1.98 N ATOM 1167 CD2 HIS A 77 21.146 3.770 -0.877 1.00 1.62 C ATOM 1168 CE1 HIS A 77 21.654 5.801 -0.272 1.00 2.03 C ATOM 1169 NE2 HIS A 77 21.863 4.890 -1.184 1.00 1.72 N ATOM 0 H HIS A 77 18.801 1.918 -1.078 1.00 0.92 H new ATOM 0 HA HIS A 77 17.513 2.643 1.388 1.00 0.94 H new ATOM 0 HB2 HIS A 77 19.523 3.548 2.083 1.00 1.20 H new ATOM 0 HB3 HIS A 77 19.989 2.153 1.130 1.00 1.20 H new ATOM 0 HD2 HIS A 77 21.120 2.852 -1.445 1.00 1.62 H new ATOM 0 HE1 HIS A 77 22.089 6.789 -0.251 1.00 2.03 H new ATOM 0 HE2 HIS A 77 22.468 4.998 -1.998 1.00 1.72 H new ATOM 1178 N VAL A 78 17.413 4.561 -1.219 1.00 0.83 N ATOM 1179 CA VAL A 78 16.836 5.810 -1.724 1.00 0.92 C ATOM 1180 C VAL A 78 15.342 5.915 -1.389 1.00 0.90 C ATOM 1181 O VAL A 78 14.731 6.972 -1.538 1.00 1.08 O ATOM 1182 CB VAL A 78 17.044 6.068 -3.252 1.00 1.15 C ATOM 1183 CG1 VAL A 78 18.504 6.301 -3.586 1.00 1.33 C ATOM 1184 CG2 VAL A 78 16.479 4.938 -4.096 1.00 1.14 C ATOM 0 H VAL A 78 17.688 3.891 -1.937 1.00 0.83 H new ATOM 0 HA VAL A 78 17.397 6.587 -1.204 1.00 0.92 H new ATOM 0 HB VAL A 78 16.493 6.976 -3.494 1.00 1.15 H new ATOM 0 HG11 VAL A 78 18.609 6.477 -4.657 1.00 1.33 H new ATOM 0 HG12 VAL A 78 18.868 7.170 -3.038 1.00 1.33 H new ATOM 0 HG13 VAL A 78 19.086 5.424 -3.304 1.00 1.33 H new ATOM 0 HG21 VAL A 78 16.643 5.155 -5.151 1.00 1.14 H new ATOM 0 HG22 VAL A 78 16.978 4.005 -3.835 1.00 1.14 H new ATOM 0 HG23 VAL A 78 15.410 4.843 -3.907 1.00 1.14 H new ATOM 1194 N ASN A 79 14.753 4.814 -0.943 1.00 0.78 N ATOM 1195 CA ASN A 79 13.358 4.819 -0.562 1.00 0.90 C ATOM 1196 C ASN A 79 13.193 4.634 0.931 1.00 0.78 C ATOM 1197 O ASN A 79 12.177 4.159 1.404 1.00 0.96 O ATOM 1198 CB ASN A 79 12.525 3.804 -1.341 1.00 1.13 C ATOM 1199 CG ASN A 79 12.393 4.184 -2.793 1.00 1.40 C ATOM 1200 OD1 ASN A 79 11.496 4.928 -3.192 1.00 2.19 O ATOM 1201 ND2 ASN A 79 13.269 3.687 -3.586 1.00 1.22 N ATOM 0 H ASN A 79 15.221 3.914 -0.838 1.00 0.78 H new ATOM 0 HA ASN A 79 12.972 5.803 -0.827 1.00 0.90 H new ATOM 0 HB2 ASN A 79 12.986 2.819 -1.264 1.00 1.13 H new ATOM 0 HB3 ASN A 79 11.534 3.728 -0.894 1.00 1.13 H new ATOM 0 HD21 ASN A 79 13.237 3.904 -4.582 1.00 1.22 H new ATOM 0 HD22 ASN A 79 13.998 3.074 -3.221 1.00 1.22 H new ATOM 1208 N ASN A 80 14.202 5.021 1.672 1.00 0.64 N ATOM 1209 CA ASN A 80 14.179 4.915 3.126 1.00 0.59 C ATOM 1210 C ASN A 80 13.529 6.186 3.692 1.00 0.56 C ATOM 1211 O ASN A 80 14.138 7.267 3.688 1.00 0.88 O ATOM 1212 CB ASN A 80 15.623 4.757 3.649 1.00 0.72 C ATOM 1213 CG ASN A 80 15.735 4.444 5.138 1.00 1.05 C ATOM 1214 OD1 ASN A 80 14.888 4.810 5.947 1.00 1.96 O ATOM 1215 ND2 ASN A 80 16.797 3.771 5.512 1.00 1.43 N ATOM 0 H ASN A 80 15.063 5.418 1.295 1.00 0.64 H new ATOM 0 HA ASN A 80 13.604 4.045 3.442 1.00 0.59 H new ATOM 0 HB2 ASN A 80 16.113 3.961 3.087 1.00 0.72 H new ATOM 0 HB3 ASN A 80 16.171 5.676 3.443 1.00 0.72 H new ATOM 0 HD21 ASN A 80 16.934 3.540 6.496 1.00 1.43 H new ATOM 0 HD22 ASN A 80 17.486 3.479 4.819 1.00 1.43 H new ATOM 1222 N GLY A 81 12.293 6.066 4.126 1.00 0.46 N ATOM 1223 CA GLY A 81 11.556 7.198 4.642 1.00 0.49 C ATOM 1224 C GLY A 81 10.147 6.801 5.022 1.00 0.43 C ATOM 1225 O GLY A 81 9.870 5.610 5.220 1.00 0.40 O ATOM 0 H GLY A 81 11.774 5.188 4.131 1.00 0.46 H new ATOM 0 HA2 GLY A 81 12.070 7.605 5.513 1.00 0.49 H new ATOM 0 HA3 GLY A 81 11.525 7.988 3.892 1.00 0.49 H new ATOM 1229 N ASN A 82 9.259 7.777 5.116 1.00 0.45 N ATOM 1230 CA ASN A 82 7.870 7.529 5.496 1.00 0.44 C ATOM 1231 C ASN A 82 6.982 7.407 4.283 1.00 0.37 C ATOM 1232 O ASN A 82 6.915 8.319 3.442 1.00 0.46 O ATOM 1233 CB ASN A 82 7.307 8.632 6.410 1.00 0.56 C ATOM 1234 CG ASN A 82 7.986 8.714 7.758 1.00 1.27 C ATOM 1235 OD1 ASN A 82 8.974 9.417 7.916 1.00 2.23 O ATOM 1236 ND2 ASN A 82 7.455 8.016 8.747 1.00 1.65 N ATOM 0 H ASN A 82 9.474 8.757 4.934 1.00 0.45 H new ATOM 0 HA ASN A 82 7.875 6.588 6.046 1.00 0.44 H new ATOM 0 HB2 ASN A 82 7.404 9.593 5.906 1.00 0.56 H new ATOM 0 HB3 ASN A 82 6.242 8.457 6.560 1.00 0.56 H new ATOM 0 HD21 ASN A 82 7.870 8.054 9.678 1.00 1.65 H new ATOM 0 HD22 ASN A 82 6.630 7.440 8.579 1.00 1.65 H new ATOM 1243 N TYR A 83 6.313 6.301 4.202 1.00 0.29 N ATOM 1244 CA TYR A 83 5.364 6.003 3.157 1.00 0.27 C ATOM 1245 C TYR A 83 3.978 6.340 3.643 1.00 0.28 C ATOM 1246 O TYR A 83 3.541 5.814 4.660 1.00 0.47 O ATOM 1247 CB TYR A 83 5.407 4.508 2.818 1.00 0.34 C ATOM 1248 CG TYR A 83 6.626 4.047 2.060 1.00 0.38 C ATOM 1249 CD1 TYR A 83 6.480 3.473 0.818 1.00 0.60 C ATOM 1250 CD2 TYR A 83 7.911 4.180 2.573 1.00 0.49 C ATOM 1251 CE1 TYR A 83 7.567 3.048 0.101 1.00 0.69 C ATOM 1252 CE2 TYR A 83 9.005 3.753 1.853 1.00 0.55 C ATOM 1253 CZ TYR A 83 8.814 3.184 0.612 1.00 0.60 C ATOM 1254 OH TYR A 83 9.878 2.769 -0.127 1.00 0.69 O ATOM 0 H TYR A 83 6.411 5.548 4.883 1.00 0.29 H new ATOM 0 HA TYR A 83 5.615 6.587 2.272 1.00 0.27 H new ATOM 0 HB2 TYR A 83 5.343 3.941 3.747 1.00 0.34 H new ATOM 0 HB3 TYR A 83 4.522 4.261 2.232 1.00 0.34 H new ATOM 0 HD1 TYR A 83 5.491 3.355 0.401 1.00 0.60 H new ATOM 0 HD2 TYR A 83 8.053 4.623 3.547 1.00 0.49 H new ATOM 0 HE1 TYR A 83 7.429 2.604 -0.874 1.00 0.69 H new ATOM 0 HE2 TYR A 83 10.001 3.863 2.256 1.00 0.55 H new ATOM 0 HH TYR A 83 10.310 2.010 0.319 1.00 0.69 H new ATOM 1264 N THR A 84 3.318 7.208 2.957 1.00 0.22 N ATOM 1265 CA THR A 84 1.980 7.571 3.285 1.00 0.23 C ATOM 1266 C THR A 84 1.046 6.973 2.243 1.00 0.22 C ATOM 1267 O THR A 84 1.198 7.220 1.043 1.00 0.26 O ATOM 1268 CB THR A 84 1.817 9.110 3.329 1.00 0.27 C ATOM 1269 OG1 THR A 84 2.778 9.663 4.246 1.00 0.34 O ATOM 1270 CG2 THR A 84 0.413 9.508 3.777 1.00 0.33 C ATOM 0 H THR A 84 3.695 7.692 2.143 1.00 0.22 H new ATOM 0 HA THR A 84 1.734 7.185 4.274 1.00 0.23 H new ATOM 0 HB THR A 84 1.980 9.499 2.324 1.00 0.27 H new ATOM 0 HG1 THR A 84 2.679 10.638 4.276 1.00 0.34 H new ATOM 0 HG21 THR A 84 0.332 10.595 3.797 1.00 0.33 H new ATOM 0 HG22 THR A 84 -0.320 9.102 3.080 1.00 0.33 H new ATOM 0 HG23 THR A 84 0.223 9.111 4.774 1.00 0.33 H new ATOM 1278 N LEU A 85 0.138 6.162 2.686 1.00 0.20 N ATOM 1279 CA LEU A 85 -0.819 5.563 1.808 1.00 0.19 C ATOM 1280 C LEU A 85 -2.090 6.378 1.855 1.00 0.18 C ATOM 1281 O LEU A 85 -2.680 6.558 2.929 1.00 0.19 O ATOM 1282 CB LEU A 85 -1.087 4.105 2.212 1.00 0.20 C ATOM 1283 CG LEU A 85 -2.059 3.316 1.335 1.00 0.20 C ATOM 1284 CD1 LEU A 85 -1.554 3.259 -0.077 1.00 0.21 C ATOM 1285 CD2 LEU A 85 -2.231 1.916 1.866 1.00 0.22 C ATOM 0 H LEU A 85 0.038 5.896 3.666 1.00 0.20 H new ATOM 0 HA LEU A 85 -0.430 5.552 0.790 1.00 0.19 H new ATOM 0 HB2 LEU A 85 -0.134 3.575 2.225 1.00 0.20 H new ATOM 0 HB3 LEU A 85 -1.469 4.100 3.233 1.00 0.20 H new ATOM 0 HG LEU A 85 -3.024 3.823 1.352 1.00 0.20 H new ATOM 0 HD11 LEU A 85 -2.255 2.694 -0.692 1.00 0.21 H new ATOM 0 HD12 LEU A 85 -1.460 4.271 -0.471 1.00 0.21 H new ATOM 0 HD13 LEU A 85 -0.580 2.770 -0.096 1.00 0.21 H new ATOM 0 HD21 LEU A 85 -2.926 1.368 1.230 1.00 0.22 H new ATOM 0 HD22 LEU A 85 -1.267 1.408 1.871 1.00 0.22 H new ATOM 0 HD23 LEU A 85 -2.625 1.958 2.882 1.00 0.22 H new ATOM 1297 N LEU A 86 -2.463 6.917 0.727 1.00 0.20 N ATOM 1298 CA LEU A 86 -3.666 7.707 0.607 1.00 0.22 C ATOM 1299 C LEU A 86 -4.705 6.884 -0.092 1.00 0.22 C ATOM 1300 O LEU A 86 -4.405 6.243 -1.098 1.00 0.27 O ATOM 1301 CB LEU A 86 -3.451 8.996 -0.236 1.00 0.28 C ATOM 1302 CG LEU A 86 -2.478 10.078 0.265 1.00 0.32 C ATOM 1303 CD1 LEU A 86 -2.809 10.527 1.665 1.00 0.36 C ATOM 1304 CD2 LEU A 86 -1.028 9.649 0.143 1.00 0.32 C ATOM 0 H LEU A 86 -1.940 6.822 -0.143 1.00 0.20 H new ATOM 0 HA LEU A 86 -3.968 7.998 1.613 1.00 0.22 H new ATOM 0 HB2 LEU A 86 -3.113 8.686 -1.225 1.00 0.28 H new ATOM 0 HB3 LEU A 86 -4.425 9.468 -0.365 1.00 0.28 H new ATOM 0 HG LEU A 86 -2.608 10.939 -0.390 1.00 0.32 H new ATOM 0 HD11 LEU A 86 -2.098 11.291 1.980 1.00 0.36 H new ATOM 0 HD12 LEU A 86 -3.818 10.939 1.686 1.00 0.36 H new ATOM 0 HD13 LEU A 86 -2.751 9.676 2.343 1.00 0.36 H new ATOM 0 HD21 LEU A 86 -0.381 10.446 0.509 1.00 0.32 H new ATOM 0 HD22 LEU A 86 -0.864 8.748 0.734 1.00 0.32 H new ATOM 0 HD23 LEU A 86 -0.796 9.444 -0.902 1.00 0.32 H new ATOM 1316 N ALA A 87 -5.891 6.873 0.422 1.00 0.21 N ATOM 1317 CA ALA A 87 -6.965 6.212 -0.255 1.00 0.23 C ATOM 1318 C ALA A 87 -8.053 7.211 -0.505 1.00 0.29 C ATOM 1319 O ALA A 87 -8.612 7.770 0.437 1.00 0.31 O ATOM 1320 CB ALA A 87 -7.491 5.057 0.575 1.00 0.24 C ATOM 0 H ALA A 87 -6.144 7.313 1.307 1.00 0.21 H new ATOM 0 HA ALA A 87 -6.607 5.805 -1.201 1.00 0.23 H new ATOM 0 HB1 ALA A 87 -8.307 4.568 0.042 1.00 0.24 H new ATOM 0 HB2 ALA A 87 -6.689 4.339 0.749 1.00 0.24 H new ATOM 0 HB3 ALA A 87 -7.855 5.432 1.531 1.00 0.24 H new ATOM 1326 N ALA A 88 -8.366 7.415 -1.753 1.00 0.36 N ATOM 1327 CA ALA A 88 -9.381 8.366 -2.147 1.00 0.45 C ATOM 1328 C ALA A 88 -10.599 7.627 -2.627 1.00 0.37 C ATOM 1329 O ALA A 88 -10.485 6.688 -3.420 1.00 0.37 O ATOM 1330 CB ALA A 88 -8.850 9.287 -3.237 1.00 0.61 C ATOM 0 H ALA A 88 -7.926 6.927 -2.533 1.00 0.36 H new ATOM 0 HA ALA A 88 -9.652 8.979 -1.288 1.00 0.45 H new ATOM 0 HB1 ALA A 88 -9.626 9.997 -3.523 1.00 0.61 H new ATOM 0 HB2 ALA A 88 -7.981 9.829 -2.864 1.00 0.61 H new ATOM 0 HB3 ALA A 88 -8.562 8.695 -4.106 1.00 0.61 H new ATOM 1336 N ASN A 89 -11.740 8.012 -2.132 1.00 0.49 N ATOM 1337 CA ASN A 89 -12.994 7.379 -2.486 1.00 0.58 C ATOM 1338 C ASN A 89 -14.081 8.433 -2.344 1.00 0.57 C ATOM 1339 O ASN A 89 -13.803 9.474 -1.753 1.00 0.55 O ATOM 1340 CB ASN A 89 -13.272 6.179 -1.535 1.00 0.86 C ATOM 1341 CG ASN A 89 -13.639 6.594 -0.118 1.00 0.59 C ATOM 1342 OD1 ASN A 89 -14.811 6.737 0.209 1.00 0.71 O ATOM 1343 ND2 ASN A 89 -12.657 6.811 0.715 1.00 1.18 N ATOM 0 H ASN A 89 -11.835 8.779 -1.466 1.00 0.49 H new ATOM 0 HA ASN A 89 -12.964 6.993 -3.505 1.00 0.58 H new ATOM 0 HB2 ASN A 89 -14.082 5.578 -1.949 1.00 0.86 H new ATOM 0 HB3 ASN A 89 -12.388 5.542 -1.500 1.00 0.86 H new ATOM 0 HD21 ASN A 89 -12.855 7.109 1.670 1.00 1.18 H new ATOM 0 HD22 ASN A 89 -11.692 6.682 0.410 1.00 1.18 H new ATOM 1350 N PRO A 90 -15.303 8.228 -2.884 1.00 0.64 N ATOM 1351 CA PRO A 90 -16.409 9.204 -2.792 1.00 0.68 C ATOM 1352 C PRO A 90 -16.598 9.822 -1.388 1.00 0.56 C ATOM 1353 O PRO A 90 -16.779 11.030 -1.259 1.00 0.63 O ATOM 1354 CB PRO A 90 -17.655 8.376 -3.179 1.00 0.81 C ATOM 1355 CG PRO A 90 -17.169 6.971 -3.365 1.00 1.00 C ATOM 1356 CD PRO A 90 -15.715 7.075 -3.692 1.00 0.74 C ATOM 0 HA PRO A 90 -16.215 10.063 -3.434 1.00 0.68 H new ATOM 0 HB2 PRO A 90 -18.416 8.427 -2.400 1.00 0.81 H new ATOM 0 HB3 PRO A 90 -18.109 8.757 -4.094 1.00 0.81 H new ATOM 0 HG2 PRO A 90 -17.324 6.382 -2.461 1.00 1.00 H new ATOM 0 HG3 PRO A 90 -17.714 6.473 -4.167 1.00 1.00 H new ATOM 0 HD2 PRO A 90 -15.170 6.171 -3.421 1.00 0.74 H new ATOM 0 HD3 PRO A 90 -15.547 7.241 -4.756 1.00 0.74 H new ATOM 1364 N CYS A 91 -16.469 9.008 -0.359 1.00 0.50 N ATOM 1365 CA CYS A 91 -16.724 9.427 1.019 1.00 0.50 C ATOM 1366 C CYS A 91 -15.609 10.341 1.586 1.00 0.46 C ATOM 1367 O CYS A 91 -15.873 11.192 2.455 1.00 0.61 O ATOM 1368 CB CYS A 91 -16.928 8.184 1.902 1.00 0.61 C ATOM 1369 SG CYS A 91 -17.204 8.502 3.679 1.00 1.10 S ATOM 0 H CYS A 91 -16.184 8.033 -0.448 1.00 0.50 H new ATOM 0 HA CYS A 91 -17.633 10.029 1.022 1.00 0.50 H new ATOM 0 HB2 CYS A 91 -17.780 7.625 1.516 1.00 0.61 H new ATOM 0 HB3 CYS A 91 -16.053 7.542 1.800 1.00 0.61 H new ATOM 1374 N GLY A 92 -14.392 10.202 1.083 1.00 0.46 N ATOM 1375 CA GLY A 92 -13.301 11.002 1.592 1.00 0.58 C ATOM 1376 C GLY A 92 -11.957 10.406 1.263 1.00 0.49 C ATOM 1377 O GLY A 92 -11.830 9.632 0.305 1.00 0.59 O ATOM 0 H GLY A 92 -14.142 9.554 0.336 1.00 0.46 H new ATOM 0 HA2 GLY A 92 -13.363 12.007 1.174 1.00 0.58 H new ATOM 0 HA3 GLY A 92 -13.398 11.100 2.673 1.00 0.58 H new ATOM 1381 N GLN A 93 -10.961 10.742 2.044 1.00 0.46 N ATOM 1382 CA GLN A 93 -9.627 10.252 1.824 1.00 0.42 C ATOM 1383 C GLN A 93 -8.971 9.863 3.146 1.00 0.41 C ATOM 1384 O GLN A 93 -8.927 10.655 4.089 1.00 0.56 O ATOM 1385 CB GLN A 93 -8.787 11.312 1.108 1.00 0.53 C ATOM 1386 CG GLN A 93 -7.358 10.884 0.822 1.00 0.58 C ATOM 1387 CD GLN A 93 -6.562 11.972 0.160 1.00 0.92 C ATOM 1388 OE1 GLN A 93 -6.515 12.072 -1.060 1.00 1.57 O ATOM 1389 NE2 GLN A 93 -5.936 12.801 0.954 1.00 1.33 N ATOM 0 H GLN A 93 -11.054 11.362 2.849 1.00 0.46 H new ATOM 0 HA GLN A 93 -9.685 9.364 1.195 1.00 0.42 H new ATOM 0 HB2 GLN A 93 -9.273 11.570 0.167 1.00 0.53 H new ATOM 0 HB3 GLN A 93 -8.769 12.217 1.716 1.00 0.53 H new ATOM 0 HG2 GLN A 93 -6.873 10.597 1.755 1.00 0.58 H new ATOM 0 HG3 GLN A 93 -7.366 10.001 0.182 1.00 0.58 H new ATOM 0 HE21 GLN A 93 -6.000 12.685 1.965 1.00 1.33 H new ATOM 0 HE22 GLN A 93 -5.384 13.564 0.562 1.00 1.33 H new ATOM 1398 N ALA A 94 -8.477 8.657 3.209 1.00 0.30 N ATOM 1399 CA ALA A 94 -7.788 8.168 4.385 1.00 0.33 C ATOM 1400 C ALA A 94 -6.300 8.193 4.125 1.00 0.31 C ATOM 1401 O ALA A 94 -5.873 8.175 2.960 1.00 0.30 O ATOM 1402 CB ALA A 94 -8.231 6.761 4.711 1.00 0.37 C ATOM 0 H ALA A 94 -8.538 7.980 2.448 1.00 0.30 H new ATOM 0 HA ALA A 94 -8.027 8.807 5.235 1.00 0.33 H new ATOM 0 HB1 ALA A 94 -7.703 6.410 5.597 1.00 0.37 H new ATOM 0 HB2 ALA A 94 -9.304 6.752 4.901 1.00 0.37 H new ATOM 0 HB3 ALA A 94 -8.006 6.105 3.870 1.00 0.37 H new ATOM 1408 N SER A 95 -5.518 8.223 5.177 1.00 0.36 N ATOM 1409 CA SER A 95 -4.093 8.299 5.056 1.00 0.37 C ATOM 1410 C SER A 95 -3.412 7.693 6.270 1.00 0.38 C ATOM 1411 O SER A 95 -3.907 7.829 7.388 1.00 0.57 O ATOM 1412 CB SER A 95 -3.698 9.763 4.903 1.00 0.43 C ATOM 1413 OG SER A 95 -4.296 10.563 5.931 1.00 0.50 O ATOM 0 H SER A 95 -5.857 8.195 6.139 1.00 0.36 H new ATOM 0 HA SER A 95 -3.773 7.732 4.182 1.00 0.37 H new ATOM 0 HB2 SER A 95 -2.613 9.858 4.947 1.00 0.43 H new ATOM 0 HB3 SER A 95 -4.010 10.128 3.924 1.00 0.43 H new ATOM 0 HG SER A 95 -4.028 11.498 5.815 1.00 0.50 H new ATOM 1419 N ALA A 96 -2.315 7.022 6.050 1.00 0.27 N ATOM 1420 CA ALA A 96 -1.506 6.463 7.115 1.00 0.27 C ATOM 1421 C ALA A 96 -0.071 6.511 6.664 1.00 0.23 C ATOM 1422 O ALA A 96 0.174 6.493 5.464 1.00 0.26 O ATOM 1423 CB ALA A 96 -1.923 5.028 7.413 1.00 0.30 C ATOM 0 H ALA A 96 -1.947 6.842 5.116 1.00 0.27 H new ATOM 0 HA ALA A 96 -1.639 7.036 8.032 1.00 0.27 H new ATOM 0 HB1 ALA A 96 -1.303 4.628 8.215 1.00 0.30 H new ATOM 0 HB2 ALA A 96 -2.969 5.009 7.719 1.00 0.30 H new ATOM 0 HB3 ALA A 96 -1.796 4.419 6.518 1.00 0.30 H new ATOM 1429 N SER A 97 0.861 6.595 7.580 1.00 0.26 N ATOM 1430 CA SER A 97 2.261 6.653 7.218 1.00 0.28 C ATOM 1431 C SER A 97 3.070 5.611 7.988 1.00 0.25 C ATOM 1432 O SER A 97 2.799 5.354 9.156 1.00 0.38 O ATOM 1433 CB SER A 97 2.806 8.059 7.458 1.00 0.41 C ATOM 1434 OG SER A 97 2.044 9.017 6.735 1.00 1.26 O ATOM 0 H SER A 97 0.679 6.625 8.583 1.00 0.26 H new ATOM 0 HA SER A 97 2.355 6.422 6.157 1.00 0.28 H new ATOM 0 HB2 SER A 97 2.776 8.290 8.523 1.00 0.41 H new ATOM 0 HB3 SER A 97 3.850 8.108 7.150 1.00 0.41 H new ATOM 0 HG SER A 97 2.529 9.276 5.924 1.00 1.26 H new ATOM 1440 N ILE A 98 4.024 5.004 7.315 1.00 0.25 N ATOM 1441 CA ILE A 98 4.888 3.982 7.889 1.00 0.28 C ATOM 1442 C ILE A 98 6.327 4.231 7.400 1.00 0.28 C ATOM 1443 O ILE A 98 6.535 4.539 6.229 1.00 0.30 O ATOM 1444 CB ILE A 98 4.345 2.536 7.477 1.00 0.36 C ATOM 1445 CG1 ILE A 98 5.138 1.343 8.110 1.00 0.72 C ATOM 1446 CG2 ILE A 98 4.263 2.375 5.953 1.00 0.39 C ATOM 1447 CD1 ILE A 98 6.458 0.981 7.446 1.00 0.37 C ATOM 0 H ILE A 98 4.228 5.207 6.336 1.00 0.25 H new ATOM 0 HA ILE A 98 4.886 4.028 8.978 1.00 0.28 H new ATOM 0 HB ILE A 98 3.340 2.488 7.897 1.00 0.36 H new ATOM 0 HG12 ILE A 98 5.335 1.580 9.156 1.00 0.72 H new ATOM 0 HG13 ILE A 98 4.497 0.462 8.098 1.00 0.72 H new ATOM 0 HG21 ILE A 98 3.890 1.380 5.712 1.00 0.39 H new ATOM 0 HG22 ILE A 98 3.586 3.125 5.544 1.00 0.39 H new ATOM 0 HG23 ILE A 98 5.254 2.506 5.519 1.00 0.39 H new ATOM 0 HD11 ILE A 98 6.912 0.142 7.973 1.00 0.37 H new ATOM 0 HD12 ILE A 98 6.279 0.703 6.407 1.00 0.37 H new ATOM 0 HD13 ILE A 98 7.130 1.838 7.481 1.00 0.37 H new ATOM 1459 N MET A 99 7.299 4.173 8.289 1.00 0.34 N ATOM 1460 CA MET A 99 8.692 4.335 7.887 1.00 0.41 C ATOM 1461 C MET A 99 9.349 2.982 7.765 1.00 0.40 C ATOM 1462 O MET A 99 9.412 2.222 8.734 1.00 0.51 O ATOM 1463 CB MET A 99 9.501 5.206 8.863 1.00 0.59 C ATOM 1464 CG MET A 99 10.984 5.316 8.470 1.00 0.85 C ATOM 1465 SD MET A 99 11.996 6.258 9.628 1.00 1.25 S ATOM 1466 CE MET A 99 11.256 7.878 9.502 1.00 1.18 C ATOM 0 H MET A 99 7.158 4.017 9.287 1.00 0.34 H new ATOM 0 HA MET A 99 8.684 4.847 6.925 1.00 0.41 H new ATOM 0 HB2 MET A 99 9.064 6.204 8.901 1.00 0.59 H new ATOM 0 HB3 MET A 99 9.425 4.787 9.866 1.00 0.59 H new ATOM 0 HG2 MET A 99 11.398 4.312 8.379 1.00 0.85 H new ATOM 0 HG3 MET A 99 11.053 5.780 7.486 1.00 0.85 H new ATOM 0 HE1 MET A 99 11.899 8.611 9.990 1.00 1.18 H new ATOM 0 HE2 MET A 99 11.137 8.143 8.451 1.00 1.18 H new ATOM 0 HE3 MET A 99 10.280 7.871 9.987 1.00 1.18 H new ATOM 1476 N ALA A 100 9.823 2.676 6.600 1.00 0.42 N ATOM 1477 CA ALA A 100 10.481 1.423 6.372 1.00 0.48 C ATOM 1478 C ALA A 100 11.942 1.666 6.087 1.00 0.48 C ATOM 1479 O ALA A 100 12.289 2.339 5.104 1.00 0.57 O ATOM 1480 CB ALA A 100 9.820 0.679 5.223 1.00 0.58 C ATOM 0 H ALA A 100 9.767 3.282 5.781 1.00 0.42 H new ATOM 0 HA ALA A 100 10.396 0.803 7.265 1.00 0.48 H new ATOM 0 HB1 ALA A 100 10.331 -0.270 5.062 1.00 0.58 H new ATOM 0 HB2 ALA A 100 8.774 0.492 5.465 1.00 0.58 H new ATOM 0 HB3 ALA A 100 9.880 1.282 4.317 1.00 0.58 H new ATOM 1486 N ALA A 101 12.800 1.168 6.949 1.00 0.56 N ATOM 1487 CA ALA A 101 14.207 1.315 6.741 1.00 0.65 C ATOM 1488 C ALA A 101 14.720 0.071 6.060 1.00 0.66 C ATOM 1489 O ALA A 101 14.924 -0.966 6.687 1.00 0.77 O ATOM 1490 CB ALA A 101 14.925 1.552 8.063 1.00 0.84 C ATOM 0 H ALA A 101 12.541 0.661 7.795 1.00 0.56 H new ATOM 0 HA ALA A 101 14.401 2.182 6.110 1.00 0.65 H new ATOM 0 HB1 ALA A 101 15.994 1.661 7.882 1.00 0.84 H new ATOM 0 HB2 ALA A 101 14.541 2.460 8.528 1.00 0.84 H new ATOM 0 HB3 ALA A 101 14.754 0.705 8.727 1.00 0.84 H new ATOM 1496 N PHE A 102 14.893 0.186 4.773 1.00 0.75 N ATOM 1497 CA PHE A 102 15.366 -0.915 3.941 1.00 0.87 C ATOM 1498 C PHE A 102 16.858 -1.116 4.140 1.00 1.20 C ATOM 1499 O PHE A 102 17.297 -2.109 4.714 1.00 2.05 O ATOM 1500 CB PHE A 102 15.057 -0.640 2.457 1.00 0.97 C ATOM 1501 CG PHE A 102 13.606 -0.371 2.189 1.00 1.69 C ATOM 1502 CD1 PHE A 102 12.721 -1.412 1.994 1.00 2.20 C ATOM 1503 CD2 PHE A 102 13.135 0.917 2.108 1.00 2.45 C ATOM 1504 CE1 PHE A 102 11.400 -1.165 1.724 1.00 3.25 C ATOM 1505 CE2 PHE A 102 11.805 1.171 1.841 1.00 3.51 C ATOM 1506 CZ PHE A 102 10.920 0.123 1.740 1.00 3.86 C ATOM 0 H PHE A 102 14.712 1.047 4.256 1.00 0.75 H new ATOM 0 HA PHE A 102 14.846 -1.825 4.239 1.00 0.87 H new ATOM 0 HB2 PHE A 102 15.645 0.215 2.124 1.00 0.97 H new ATOM 0 HB3 PHE A 102 15.376 -1.496 1.863 1.00 0.97 H new ATOM 0 HD1 PHE A 102 13.073 -2.431 2.055 1.00 2.20 H new ATOM 0 HD2 PHE A 102 13.815 1.743 2.255 1.00 2.45 H new ATOM 0 HE1 PHE A 102 10.734 -1.985 1.498 1.00 3.25 H new ATOM 0 HE2 PHE A 102 11.461 2.187 1.712 1.00 3.51 H new ATOM 0 HZ PHE A 102 9.858 0.310 1.674 1.00 3.86 H new