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 82 ASN : amide:sc= -0.941 K(o=-0.46,f=-2.7!) USER MOD Set 1.2: A 84 THR OG1 : rot -21:sc= 0.486 USER MOD Set 2.1: A 76 THR OG1 : rot -35:sc= 0.408 USER MOD Set 2.2: A 79 ASN : amide:sc= 0.645 K(o=1.1,f=-4.8!) USER MOD Set 3.1: A 15 HIS : no HE2:sc= 0.107 X(o=-0.61,f=-0.86) USER MOD Set 3.2: A 28 SER OG : rot -109:sc= -0.714 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -156:sc= 0 (180deg=-0.536) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=-0.00025) USER MOD Single : A 32 GLN : amide:sc= -1.07! X(o=-1.1!,f=-0.8) USER MOD Single : A 36 SER OG : rot 180:sc= -0.17 USER MOD Single : A 42 ASN : amide:sc= 0.922 K(o=0.92,f=-4.6!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN :FLIP amide:sc=-0.00312 F(o=-0.98,f=-0.0031) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.378 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 97:sc= 1.7 USER MOD Single : A 62 ASN : amide:sc= -0.0357 X(o=-0.036,f=-0.44) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0113 USER MOD Single : A 67 HIS : no HD1:sc= 0.951 K(o=0.95,f=-4.2!) USER MOD Single : A 73 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 74 GLN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 80 ASN : amide:sc= -2.02 K(o=-2,f=-4.4!) USER MOD Single : A 83 TYR OH : rot -147:sc= -2.59! USER MOD Single : A 89 ASN : amide:sc= -0.497 K(o=-0.5,f=-2.2!) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 95 SER OG : rot 44:sc= 0.00573 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -178:sc= 0 (180deg=-0.00519) USER MOD ----------------------------------------------------------------- ATOM 79 N SER A 7 -22.036 1.220 1.984 1.00 1.06 N ATOM 80 CA SER A 7 -21.078 2.185 1.610 1.00 0.91 C ATOM 81 C SER A 7 -20.127 2.367 2.756 1.00 0.81 C ATOM 82 O SER A 7 -20.420 3.049 3.740 1.00 0.91 O ATOM 83 CB SER A 7 -21.763 3.511 1.217 1.00 1.01 C ATOM 84 OG SER A 7 -20.815 4.505 0.835 1.00 1.58 O ATOM 0 HA SER A 7 -20.524 1.850 0.733 1.00 0.91 H new ATOM 0 HB2 SER A 7 -22.454 3.333 0.393 1.00 1.01 H new ATOM 0 HB3 SER A 7 -22.355 3.877 2.056 1.00 1.01 H new ATOM 0 HG SER A 7 -21.286 5.329 0.592 1.00 1.58 H new ATOM 90 N PHE A 8 -19.020 1.709 2.655 1.00 0.75 N ATOM 91 CA PHE A 8 -17.988 1.832 3.625 1.00 0.70 C ATOM 92 C PHE A 8 -16.904 2.681 3.045 1.00 0.53 C ATOM 93 O PHE A 8 -16.477 2.473 1.898 1.00 0.54 O ATOM 94 CB PHE A 8 -17.468 0.463 4.058 1.00 0.85 C ATOM 95 CG PHE A 8 -18.530 -0.391 4.694 1.00 0.77 C ATOM 96 CD1 PHE A 8 -18.989 -1.532 4.067 1.00 0.88 C ATOM 97 CD2 PHE A 8 -19.083 -0.032 5.910 1.00 1.01 C ATOM 98 CE1 PHE A 8 -19.975 -2.302 4.642 1.00 0.85 C ATOM 99 CE2 PHE A 8 -20.068 -0.799 6.489 1.00 1.19 C ATOM 100 CZ PHE A 8 -20.514 -1.935 5.852 1.00 0.96 C ATOM 0 H PHE A 8 -18.807 1.067 1.891 1.00 0.75 H new ATOM 0 HA PHE A 8 -18.377 2.307 4.526 1.00 0.70 H new ATOM 0 HB2 PHE A 8 -17.062 -0.057 3.190 1.00 0.85 H new ATOM 0 HB3 PHE A 8 -16.647 0.598 4.762 1.00 0.85 H new ATOM 0 HD1 PHE A 8 -18.570 -1.824 3.115 1.00 0.88 H new ATOM 0 HD2 PHE A 8 -18.738 0.860 6.411 1.00 1.01 H new ATOM 0 HE1 PHE A 8 -20.325 -3.194 4.143 1.00 0.85 H new ATOM 0 HE2 PHE A 8 -20.490 -0.511 7.440 1.00 1.19 H new ATOM 0 HZ PHE A 8 -21.288 -2.538 6.303 1.00 0.96 H new ATOM 110 N CYS A 9 -16.474 3.617 3.816 1.00 0.49 N ATOM 111 CA CYS A 9 -15.513 4.600 3.419 1.00 0.44 C ATOM 112 C CYS A 9 -14.135 4.007 3.592 1.00 0.37 C ATOM 113 O CYS A 9 -14.006 2.908 4.107 1.00 0.40 O ATOM 114 CB CYS A 9 -15.705 5.795 4.331 1.00 0.62 C ATOM 115 SG CYS A 9 -17.460 6.267 4.490 1.00 1.32 S ATOM 0 H CYS A 9 -16.791 3.728 4.779 1.00 0.49 H new ATOM 0 HA CYS A 9 -15.632 4.905 2.379 1.00 0.44 H new ATOM 0 HB2 CYS A 9 -15.302 5.565 5.317 1.00 0.62 H new ATOM 0 HB3 CYS A 9 -15.137 6.641 3.943 1.00 0.62 H new ATOM 120 N ALA A 10 -13.112 4.717 3.197 1.00 0.35 N ATOM 121 CA ALA A 10 -11.793 4.141 3.207 1.00 0.35 C ATOM 122 C ALA A 10 -11.065 4.467 4.471 1.00 0.29 C ATOM 123 O ALA A 10 -10.972 5.619 4.865 1.00 0.34 O ATOM 124 CB ALA A 10 -10.986 4.627 2.015 1.00 0.45 C ATOM 0 H ALA A 10 -13.163 5.681 2.869 1.00 0.35 H new ATOM 0 HA ALA A 10 -11.910 3.059 3.145 1.00 0.35 H new ATOM 0 HB1 ALA A 10 -9.992 4.180 2.042 1.00 0.45 H new ATOM 0 HB2 ALA A 10 -11.489 4.338 1.092 1.00 0.45 H new ATOM 0 HB3 ALA A 10 -10.896 5.713 2.055 1.00 0.45 H new ATOM 130 N SER A 11 -10.629 3.455 5.134 1.00 0.27 N ATOM 131 CA SER A 11 -9.780 3.587 6.273 1.00 0.27 C ATOM 132 C SER A 11 -8.504 2.823 5.980 1.00 0.23 C ATOM 133 O SER A 11 -8.555 1.717 5.432 1.00 0.25 O ATOM 134 CB SER A 11 -10.486 3.085 7.532 1.00 0.37 C ATOM 135 OG SER A 11 -11.653 3.875 7.776 1.00 1.19 O ATOM 0 H SER A 11 -10.856 2.489 4.897 1.00 0.27 H new ATOM 0 HA SER A 11 -9.537 4.632 6.463 1.00 0.27 H new ATOM 0 HB2 SER A 11 -10.762 2.037 7.413 1.00 0.37 H new ATOM 0 HB3 SER A 11 -9.811 3.141 8.386 1.00 0.37 H new ATOM 0 HG SER A 11 -12.105 3.550 8.583 1.00 1.19 H new ATOM 141 N VAL A 12 -7.380 3.414 6.292 1.00 0.23 N ATOM 142 CA VAL A 12 -6.108 2.835 5.947 1.00 0.22 C ATOM 143 C VAL A 12 -5.335 2.468 7.189 1.00 0.24 C ATOM 144 O VAL A 12 -5.021 3.321 8.014 1.00 0.29 O ATOM 145 CB VAL A 12 -5.260 3.809 5.074 1.00 0.23 C ATOM 146 CG1 VAL A 12 -3.895 3.244 4.804 1.00 0.24 C ATOM 147 CG2 VAL A 12 -5.931 4.066 3.759 1.00 0.27 C ATOM 0 H VAL A 12 -7.320 4.303 6.788 1.00 0.23 H new ATOM 0 HA VAL A 12 -6.307 1.933 5.368 1.00 0.22 H new ATOM 0 HB VAL A 12 -5.167 4.740 5.632 1.00 0.23 H new ATOM 0 HG11 VAL A 12 -3.326 3.944 4.193 1.00 0.24 H new ATOM 0 HG12 VAL A 12 -3.376 3.081 5.748 1.00 0.24 H new ATOM 0 HG13 VAL A 12 -3.992 2.296 4.274 1.00 0.24 H new ATOM 0 HG21 VAL A 12 -5.321 4.748 3.167 1.00 0.27 H new ATOM 0 HG22 VAL A 12 -6.050 3.125 3.221 1.00 0.27 H new ATOM 0 HG23 VAL A 12 -6.911 4.512 3.931 1.00 0.27 H new ATOM 157 N GLN A 13 -5.059 1.207 7.331 1.00 0.24 N ATOM 158 CA GLN A 13 -4.270 0.729 8.414 1.00 0.29 C ATOM 159 C GLN A 13 -2.964 0.201 7.836 1.00 0.26 C ATOM 160 O GLN A 13 -2.967 -0.755 7.037 1.00 0.32 O ATOM 161 CB GLN A 13 -5.001 -0.389 9.166 1.00 0.40 C ATOM 162 CG GLN A 13 -6.442 -0.058 9.535 1.00 0.68 C ATOM 163 CD GLN A 13 -7.068 -1.107 10.422 1.00 1.43 C ATOM 164 OE1 GLN A 13 -7.660 -2.093 9.947 1.00 2.18 O ATOM 165 NE2 GLN A 13 -6.957 -0.908 11.705 1.00 2.06 N ATOM 0 H GLN A 13 -5.379 0.480 6.692 1.00 0.24 H new ATOM 0 HA GLN A 13 -4.081 1.535 9.123 1.00 0.29 H new ATOM 0 HB2 GLN A 13 -4.993 -1.289 8.552 1.00 0.40 H new ATOM 0 HB3 GLN A 13 -4.449 -0.620 10.077 1.00 0.40 H new ATOM 0 HG2 GLN A 13 -6.471 0.906 10.042 1.00 0.68 H new ATOM 0 HG3 GLN A 13 -7.033 0.043 8.624 1.00 0.68 H new ATOM 0 HE21 GLN A 13 -6.463 -0.086 12.053 1.00 2.06 H new ATOM 0 HE22 GLN A 13 -7.364 -1.574 12.362 1.00 2.06 H new ATOM 174 N LEU A 14 -1.873 0.821 8.199 1.00 0.28 N ATOM 175 CA LEU A 14 -0.563 0.422 7.716 1.00 0.25 C ATOM 176 C LEU A 14 0.181 -0.405 8.732 1.00 0.25 C ATOM 177 O LEU A 14 -0.091 -0.335 9.939 1.00 0.33 O ATOM 178 CB LEU A 14 0.272 1.617 7.217 1.00 0.24 C ATOM 179 CG LEU A 14 -0.056 2.101 5.799 1.00 0.24 C ATOM 180 CD1 LEU A 14 0.660 3.389 5.486 1.00 0.23 C ATOM 181 CD2 LEU A 14 0.365 1.057 4.800 1.00 0.25 C ATOM 0 H LEU A 14 -1.859 1.617 8.837 1.00 0.28 H new ATOM 0 HA LEU A 14 -0.733 -0.215 6.848 1.00 0.25 H new ATOM 0 HB2 LEU A 14 0.134 2.449 7.908 1.00 0.24 H new ATOM 0 HB3 LEU A 14 1.326 1.343 7.255 1.00 0.24 H new ATOM 0 HG LEU A 14 -1.131 2.272 5.740 1.00 0.24 H new ATOM 0 HD11 LEU A 14 0.409 3.708 4.475 1.00 0.23 H new ATOM 0 HD12 LEU A 14 0.354 4.157 6.196 1.00 0.23 H new ATOM 0 HD13 LEU A 14 1.736 3.234 5.561 1.00 0.23 H new ATOM 0 HD21 LEU A 14 0.131 1.402 3.793 1.00 0.25 H new ATOM 0 HD22 LEU A 14 1.438 0.884 4.885 1.00 0.25 H new ATOM 0 HD23 LEU A 14 -0.169 0.128 4.998 1.00 0.25 H new ATOM 193 N HIS A 15 1.109 -1.184 8.253 1.00 0.21 N ATOM 194 CA HIS A 15 1.864 -2.100 9.073 1.00 0.24 C ATOM 195 C HIS A 15 3.308 -1.911 8.752 1.00 0.21 C ATOM 196 O HIS A 15 3.654 -1.616 7.608 1.00 0.22 O ATOM 197 CB HIS A 15 1.504 -3.566 8.746 1.00 0.34 C ATOM 198 CG HIS A 15 0.097 -3.999 9.050 1.00 0.54 C ATOM 199 ND1 HIS A 15 -0.199 -4.962 9.976 1.00 0.92 N ATOM 200 CD2 HIS A 15 -1.089 -3.633 8.504 1.00 0.62 C ATOM 201 CE1 HIS A 15 -1.494 -5.171 9.999 1.00 1.03 C ATOM 202 NE2 HIS A 15 -2.059 -4.376 9.112 1.00 0.83 N ATOM 0 H HIS A 15 1.369 -1.204 7.267 1.00 0.21 H new ATOM 0 HA HIS A 15 1.641 -1.903 10.121 1.00 0.24 H new ATOM 0 HB2 HIS A 15 1.690 -3.734 7.685 1.00 0.34 H new ATOM 0 HB3 HIS A 15 2.186 -4.215 9.296 1.00 0.34 H new ATOM 0 HD1 HIS A 15 0.484 -5.444 10.560 1.00 0.92 H new ATOM 0 HD2 HIS A 15 -1.238 -2.892 7.732 1.00 0.62 H new ATOM 0 HE1 HIS A 15 -2.009 -5.874 10.636 1.00 1.03 H new ATOM 211 N THR A 16 4.129 -2.041 9.756 1.00 0.26 N ATOM 212 CA THR A 16 5.549 -1.952 9.619 1.00 0.29 C ATOM 213 C THR A 16 6.038 -3.103 8.724 1.00 0.25 C ATOM 214 O THR A 16 5.522 -4.233 8.814 1.00 0.27 O ATOM 215 CB THR A 16 6.189 -2.059 11.014 1.00 0.38 C ATOM 216 OG1 THR A 16 5.572 -1.090 11.892 1.00 0.49 O ATOM 217 CG2 THR A 16 7.691 -1.794 10.947 1.00 0.47 C ATOM 0 H THR A 16 3.819 -2.216 10.712 1.00 0.26 H new ATOM 0 HA THR A 16 5.829 -1.002 9.165 1.00 0.29 H new ATOM 0 HB THR A 16 6.033 -3.069 11.394 1.00 0.38 H new ATOM 0 HG1 THR A 16 5.974 -1.154 12.784 1.00 0.49 H new ATOM 0 HG21 THR A 16 8.120 -1.876 11.946 1.00 0.47 H new ATOM 0 HG22 THR A 16 8.161 -2.526 10.290 1.00 0.47 H new ATOM 0 HG23 THR A 16 7.867 -0.791 10.558 1.00 0.47 H new ATOM 225 N ALA A 17 6.992 -2.784 7.844 1.00 0.28 N ATOM 226 CA ALA A 17 7.571 -3.727 6.902 1.00 0.30 C ATOM 227 C ALA A 17 8.106 -4.951 7.616 1.00 0.35 C ATOM 228 O ALA A 17 8.698 -4.837 8.702 1.00 0.40 O ATOM 229 CB ALA A 17 8.690 -3.055 6.120 1.00 0.37 C ATOM 0 H ALA A 17 7.385 -1.846 7.771 1.00 0.28 H new ATOM 0 HA ALA A 17 6.788 -4.047 6.215 1.00 0.30 H new ATOM 0 HB1 ALA A 17 9.120 -3.767 5.416 1.00 0.37 H new ATOM 0 HB2 ALA A 17 8.290 -2.201 5.574 1.00 0.37 H new ATOM 0 HB3 ALA A 17 9.463 -2.715 6.810 1.00 0.37 H new ATOM 235 N VAL A 18 7.935 -6.095 7.013 1.00 0.38 N ATOM 236 CA VAL A 18 8.357 -7.333 7.625 1.00 0.48 C ATOM 237 C VAL A 18 9.775 -7.657 7.211 1.00 0.56 C ATOM 238 O VAL A 18 10.136 -7.590 6.028 1.00 0.52 O ATOM 239 CB VAL A 18 7.389 -8.521 7.325 1.00 0.54 C ATOM 240 CG1 VAL A 18 6.020 -8.256 7.930 1.00 0.57 C ATOM 241 CG2 VAL A 18 7.252 -8.774 5.830 1.00 0.52 C ATOM 0 H VAL A 18 7.505 -6.200 6.094 1.00 0.38 H new ATOM 0 HA VAL A 18 8.326 -7.190 8.705 1.00 0.48 H new ATOM 0 HB VAL A 18 7.819 -9.413 7.780 1.00 0.54 H new ATOM 0 HG11 VAL A 18 5.357 -9.094 7.712 1.00 0.57 H new ATOM 0 HG12 VAL A 18 6.115 -8.141 9.010 1.00 0.57 H new ATOM 0 HG13 VAL A 18 5.604 -7.343 7.503 1.00 0.57 H new ATOM 0 HG21 VAL A 18 6.570 -9.608 5.663 1.00 0.52 H new ATOM 0 HG22 VAL A 18 6.859 -7.881 5.344 1.00 0.52 H new ATOM 0 HG23 VAL A 18 8.229 -9.014 5.411 1.00 0.52 H new ATOM 251 N GLU A 19 10.569 -7.961 8.199 1.00 0.72 N ATOM 252 CA GLU A 19 11.983 -8.166 8.047 1.00 0.84 C ATOM 253 C GLU A 19 12.307 -9.510 7.444 1.00 0.84 C ATOM 254 O GLU A 19 12.095 -10.559 8.063 1.00 0.96 O ATOM 255 CB GLU A 19 12.657 -8.007 9.394 1.00 1.06 C ATOM 256 CG GLU A 19 12.506 -6.618 9.974 1.00 1.72 C ATOM 257 CD GLU A 19 12.986 -6.541 11.385 1.00 2.02 C ATOM 258 OE1 GLU A 19 14.210 -6.464 11.592 1.00 2.52 O ATOM 259 OE2 GLU A 19 12.153 -6.534 12.324 1.00 2.38 O ATOM 0 H GLU A 19 10.242 -8.076 9.158 1.00 0.72 H new ATOM 0 HA GLU A 19 12.361 -7.416 7.353 1.00 0.84 H new ATOM 0 HB2 GLU A 19 12.238 -8.733 10.091 1.00 1.06 H new ATOM 0 HB3 GLU A 19 13.717 -8.238 9.292 1.00 1.06 H new ATOM 0 HG2 GLU A 19 13.064 -5.908 9.363 1.00 1.72 H new ATOM 0 HG3 GLU A 19 11.458 -6.320 9.932 1.00 1.72 H new ATOM 266 N MET A 20 12.797 -9.463 6.238 1.00 0.79 N ATOM 267 CA MET A 20 13.237 -10.611 5.493 1.00 0.84 C ATOM 268 C MET A 20 14.030 -10.106 4.300 1.00 0.81 C ATOM 269 O MET A 20 14.300 -8.900 4.240 1.00 0.84 O ATOM 270 CB MET A 20 12.063 -11.543 5.092 1.00 0.88 C ATOM 271 CG MET A 20 10.948 -10.892 4.305 1.00 0.88 C ATOM 272 SD MET A 20 9.619 -12.058 3.917 1.00 0.88 S ATOM 273 CE MET A 20 8.528 -11.028 2.941 1.00 0.58 C ATOM 0 H MET A 20 12.906 -8.588 5.725 1.00 0.79 H new ATOM 0 HA MET A 20 13.876 -11.238 6.114 1.00 0.84 H new ATOM 0 HB2 MET A 20 12.464 -12.369 4.504 1.00 0.88 H new ATOM 0 HB3 MET A 20 11.639 -11.974 5.999 1.00 0.88 H new ATOM 0 HG2 MET A 20 10.542 -10.057 4.875 1.00 0.88 H new ATOM 0 HG3 MET A 20 11.350 -10.480 3.379 1.00 0.88 H new ATOM 0 HE1 MET A 20 7.515 -11.427 2.986 1.00 0.58 H new ATOM 0 HE2 MET A 20 8.536 -10.012 3.336 1.00 0.58 H new ATOM 0 HE3 MET A 20 8.868 -11.017 1.905 1.00 0.58 H new ATOM 283 N HIS A 21 14.428 -10.954 3.377 1.00 0.92 N ATOM 284 CA HIS A 21 15.255 -10.481 2.256 1.00 1.01 C ATOM 285 C HIS A 21 14.406 -9.713 1.228 1.00 0.82 C ATOM 286 O HIS A 21 14.885 -8.782 0.566 1.00 0.95 O ATOM 287 CB HIS A 21 16.013 -11.644 1.603 1.00 1.24 C ATOM 288 CG HIS A 21 17.135 -11.227 0.691 1.00 1.65 C ATOM 289 ND1 HIS A 21 18.428 -11.061 1.127 1.00 2.31 N ATOM 290 CD2 HIS A 21 17.161 -10.984 -0.643 1.00 2.19 C ATOM 291 CE1 HIS A 21 19.195 -10.742 0.113 1.00 2.75 C ATOM 292 NE2 HIS A 21 18.454 -10.689 -0.972 1.00 2.66 N ATOM 0 H HIS A 21 14.208 -11.950 3.366 1.00 0.92 H new ATOM 0 HA HIS A 21 15.996 -9.787 2.653 1.00 1.01 H new ATOM 0 HB2 HIS A 21 16.419 -12.282 2.388 1.00 1.24 H new ATOM 0 HB3 HIS A 21 15.306 -12.248 1.035 1.00 1.24 H new ATOM 0 HD2 HIS A 21 16.319 -11.017 -1.318 1.00 2.19 H new ATOM 0 HE1 HIS A 21 20.257 -10.554 0.161 1.00 2.75 H new ATOM 0 HE2 HIS A 21 18.790 -10.464 -1.908 1.00 2.66 H new ATOM 301 N HIS A 22 13.172 -10.121 1.084 1.00 0.67 N ATOM 302 CA HIS A 22 12.235 -9.443 0.202 1.00 0.59 C ATOM 303 C HIS A 22 11.381 -8.541 1.057 1.00 0.49 C ATOM 304 O HIS A 22 10.745 -9.008 1.977 1.00 0.57 O ATOM 305 CB HIS A 22 11.345 -10.450 -0.550 1.00 0.76 C ATOM 306 CG HIS A 22 12.087 -11.370 -1.473 1.00 1.13 C ATOM 307 ND1 HIS A 22 12.338 -12.694 -1.191 1.00 1.52 N ATOM 308 CD2 HIS A 22 12.630 -11.146 -2.681 1.00 2.11 C ATOM 309 CE1 HIS A 22 13.006 -13.237 -2.182 1.00 2.06 C ATOM 310 NE2 HIS A 22 13.198 -12.323 -3.100 1.00 2.46 N ATOM 0 H HIS A 22 12.781 -10.929 1.569 1.00 0.67 H new ATOM 0 HA HIS A 22 12.782 -8.872 -0.548 1.00 0.59 H new ATOM 0 HB2 HIS A 22 10.801 -11.050 0.180 1.00 0.76 H new ATOM 0 HB3 HIS A 22 10.602 -9.899 -1.127 1.00 0.76 H new ATOM 0 HD2 HIS A 22 12.621 -10.212 -3.223 1.00 2.11 H new ATOM 0 HE1 HIS A 22 13.340 -14.263 -2.232 1.00 2.06 H new ATOM 0 HE2 HIS A 22 13.690 -12.463 -3.983 1.00 2.46 H new ATOM 319 N TRP A 23 11.369 -7.272 0.787 1.00 0.41 N ATOM 320 CA TRP A 23 10.660 -6.369 1.659 1.00 0.36 C ATOM 321 C TRP A 23 9.201 -6.222 1.309 1.00 0.32 C ATOM 322 O TRP A 23 8.830 -5.922 0.166 1.00 0.44 O ATOM 323 CB TRP A 23 11.368 -5.036 1.792 1.00 0.43 C ATOM 324 CG TRP A 23 12.670 -5.170 2.522 1.00 0.47 C ATOM 325 CD1 TRP A 23 13.901 -5.347 1.977 1.00 0.52 C ATOM 326 CD2 TRP A 23 12.863 -5.164 3.942 1.00 0.56 C ATOM 327 NE1 TRP A 23 14.845 -5.436 2.956 1.00 0.57 N ATOM 328 CE2 TRP A 23 14.237 -5.332 4.174 1.00 0.60 C ATOM 329 CE3 TRP A 23 12.007 -5.030 5.037 1.00 0.70 C ATOM 330 CZ2 TRP A 23 14.779 -5.369 5.455 1.00 0.73 C ATOM 331 CZ3 TRP A 23 12.545 -5.069 6.307 1.00 0.85 C ATOM 332 CH2 TRP A 23 13.919 -5.238 6.507 1.00 0.86 C ATOM 0 H TRP A 23 11.830 -6.838 -0.013 1.00 0.41 H new ATOM 0 HA TRP A 23 10.672 -6.831 2.646 1.00 0.36 H new ATOM 0 HB2 TRP A 23 11.548 -4.619 0.801 1.00 0.43 H new ATOM 0 HB3 TRP A 23 10.725 -4.333 2.322 1.00 0.43 H new ATOM 0 HD1 TRP A 23 14.103 -5.409 0.918 1.00 0.52 H new ATOM 0 HE1 TRP A 23 15.846 -5.560 2.803 1.00 0.57 H new ATOM 0 HE3 TRP A 23 10.945 -4.898 4.893 1.00 0.70 H new ATOM 0 HZ2 TRP A 23 15.840 -5.497 5.611 1.00 0.73 H new ATOM 0 HZ3 TRP A 23 11.893 -4.967 7.162 1.00 0.85 H new ATOM 0 HH2 TRP A 23 14.307 -5.265 7.514 1.00 0.86 H new ATOM 343 N CYS A 24 8.390 -6.450 2.300 1.00 0.27 N ATOM 344 CA CYS A 24 6.967 -6.399 2.175 1.00 0.25 C ATOM 345 C CYS A 24 6.397 -5.466 3.225 1.00 0.23 C ATOM 346 O CYS A 24 6.659 -5.635 4.430 1.00 0.25 O ATOM 347 CB CYS A 24 6.389 -7.822 2.345 1.00 0.28 C ATOM 348 SG CYS A 24 4.561 -7.949 2.333 1.00 0.30 S ATOM 0 H CYS A 24 8.710 -6.682 3.240 1.00 0.27 H new ATOM 0 HA CYS A 24 6.695 -6.021 1.189 1.00 0.25 H new ATOM 0 HB2 CYS A 24 6.783 -8.451 1.547 1.00 0.28 H new ATOM 0 HB3 CYS A 24 6.756 -8.233 3.285 1.00 0.28 H new ATOM 353 N ILE A 25 5.690 -4.450 2.770 1.00 0.20 N ATOM 354 CA ILE A 25 4.973 -3.548 3.644 1.00 0.19 C ATOM 355 C ILE A 25 3.482 -3.875 3.519 1.00 0.18 C ATOM 356 O ILE A 25 2.833 -3.465 2.541 1.00 0.18 O ATOM 357 CB ILE A 25 5.193 -2.053 3.265 1.00 0.21 C ATOM 358 CG1 ILE A 25 6.691 -1.710 3.260 1.00 0.25 C ATOM 359 CG2 ILE A 25 4.437 -1.143 4.241 1.00 0.22 C ATOM 360 CD1 ILE A 25 7.003 -0.267 2.905 1.00 0.30 C ATOM 0 H ILE A 25 5.598 -4.228 1.779 1.00 0.20 H new ATOM 0 HA ILE A 25 5.341 -3.682 4.661 1.00 0.19 H new ATOM 0 HB ILE A 25 4.803 -1.889 2.261 1.00 0.21 H new ATOM 0 HG12 ILE A 25 7.104 -1.926 4.245 1.00 0.25 H new ATOM 0 HG13 ILE A 25 7.199 -2.364 2.551 1.00 0.25 H new ATOM 0 HG21 ILE A 25 4.598 -0.101 3.966 1.00 0.22 H new ATOM 0 HG22 ILE A 25 3.372 -1.369 4.198 1.00 0.22 H new ATOM 0 HG23 ILE A 25 4.803 -1.312 5.254 1.00 0.22 H new ATOM 0 HD11 ILE A 25 8.082 -0.112 2.925 1.00 0.30 H new ATOM 0 HD12 ILE A 25 6.624 -0.048 1.907 1.00 0.30 H new ATOM 0 HD13 ILE A 25 6.528 0.396 3.628 1.00 0.30 H new ATOM 372 N PRO A 26 2.932 -4.663 4.451 1.00 0.20 N ATOM 373 CA PRO A 26 1.530 -5.063 4.415 1.00 0.21 C ATOM 374 C PRO A 26 0.595 -3.916 4.787 1.00 0.21 C ATOM 375 O PRO A 26 0.866 -3.140 5.718 1.00 0.23 O ATOM 376 CB PRO A 26 1.432 -6.187 5.466 1.00 0.25 C ATOM 377 CG PRO A 26 2.841 -6.482 5.871 1.00 0.28 C ATOM 378 CD PRO A 26 3.618 -5.230 5.616 1.00 0.24 C ATOM 0 HA PRO A 26 1.230 -5.376 3.415 1.00 0.21 H new ATOM 0 HB2 PRO A 26 0.836 -5.872 6.322 1.00 0.25 H new ATOM 0 HB3 PRO A 26 0.950 -7.072 5.050 1.00 0.25 H new ATOM 0 HG2 PRO A 26 2.893 -6.765 6.922 1.00 0.28 H new ATOM 0 HG3 PRO A 26 3.245 -7.315 5.296 1.00 0.28 H new ATOM 0 HD2 PRO A 26 3.591 -4.555 6.471 1.00 0.24 H new ATOM 0 HD3 PRO A 26 4.667 -5.439 5.407 1.00 0.24 H new ATOM 386 N PHE A 27 -0.490 -3.800 4.078 1.00 0.23 N ATOM 387 CA PHE A 27 -1.454 -2.778 4.363 1.00 0.25 C ATOM 388 C PHE A 27 -2.847 -3.347 4.354 1.00 0.25 C ATOM 389 O PHE A 27 -3.095 -4.417 3.780 1.00 0.30 O ATOM 390 CB PHE A 27 -1.341 -1.582 3.395 1.00 0.27 C ATOM 391 CG PHE A 27 -1.584 -1.887 1.944 1.00 0.28 C ATOM 392 CD1 PHE A 27 -2.863 -1.809 1.400 1.00 0.29 C ATOM 393 CD2 PHE A 27 -0.535 -2.238 1.121 1.00 0.32 C ATOM 394 CE1 PHE A 27 -3.074 -2.082 0.074 1.00 0.34 C ATOM 395 CE2 PHE A 27 -0.745 -2.511 -0.206 1.00 0.36 C ATOM 396 CZ PHE A 27 -2.015 -2.435 -0.730 1.00 0.37 C ATOM 0 H PHE A 27 -0.730 -4.405 3.293 1.00 0.23 H new ATOM 0 HA PHE A 27 -1.238 -2.399 5.362 1.00 0.25 H new ATOM 0 HB2 PHE A 27 -2.051 -0.817 3.709 1.00 0.27 H new ATOM 0 HB3 PHE A 27 -0.344 -1.152 3.494 1.00 0.27 H new ATOM 0 HD1 PHE A 27 -3.696 -1.531 2.029 1.00 0.29 H new ATOM 0 HD2 PHE A 27 0.464 -2.299 1.527 1.00 0.32 H new ATOM 0 HE1 PHE A 27 -4.070 -2.020 -0.339 1.00 0.34 H new ATOM 0 HE2 PHE A 27 0.086 -2.785 -0.839 1.00 0.36 H new ATOM 0 HZ PHE A 27 -2.181 -2.653 -1.775 1.00 0.37 H new ATOM 406 N SER A 28 -3.728 -2.657 4.988 1.00 0.25 N ATOM 407 CA SER A 28 -5.099 -3.029 5.057 1.00 0.28 C ATOM 408 C SER A 28 -5.968 -1.779 4.923 1.00 0.24 C ATOM 409 O SER A 28 -5.871 -0.855 5.728 1.00 0.27 O ATOM 410 CB SER A 28 -5.347 -3.808 6.363 1.00 0.41 C ATOM 411 OG SER A 28 -4.617 -3.230 7.446 1.00 0.88 O ATOM 0 H SER A 28 -3.510 -1.794 5.487 1.00 0.25 H new ATOM 0 HA SER A 28 -5.370 -3.692 4.235 1.00 0.28 H new ATOM 0 HB2 SER A 28 -6.412 -3.807 6.595 1.00 0.41 H new ATOM 0 HB3 SER A 28 -5.050 -4.849 6.233 1.00 0.41 H new ATOM 0 HG SER A 28 -3.881 -3.826 7.699 1.00 0.88 H new ATOM 417 N VAL A 29 -6.743 -1.734 3.878 1.00 0.23 N ATOM 418 CA VAL A 29 -7.620 -0.614 3.588 1.00 0.21 C ATOM 419 C VAL A 29 -9.024 -1.144 3.392 1.00 0.21 C ATOM 420 O VAL A 29 -9.240 -2.022 2.574 1.00 0.27 O ATOM 421 CB VAL A 29 -7.133 0.191 2.316 1.00 0.22 C ATOM 422 CG1 VAL A 29 -6.821 -0.744 1.161 1.00 0.25 C ATOM 423 CG2 VAL A 29 -8.193 1.204 1.875 1.00 0.26 C ATOM 0 H VAL A 29 -6.791 -2.482 3.186 1.00 0.23 H new ATOM 0 HA VAL A 29 -7.602 0.085 4.424 1.00 0.21 H new ATOM 0 HB VAL A 29 -6.223 0.721 2.596 1.00 0.22 H new ATOM 0 HG11 VAL A 29 -6.489 -0.162 0.301 1.00 0.25 H new ATOM 0 HG12 VAL A 29 -6.033 -1.437 1.456 1.00 0.25 H new ATOM 0 HG13 VAL A 29 -7.717 -1.305 0.895 1.00 0.25 H new ATOM 0 HG21 VAL A 29 -7.836 1.746 0.999 1.00 0.26 H new ATOM 0 HG22 VAL A 29 -9.116 0.680 1.627 1.00 0.26 H new ATOM 0 HG23 VAL A 29 -8.382 1.908 2.685 1.00 0.26 H new ATOM 433 N ASP A 30 -9.960 -0.673 4.149 1.00 0.27 N ATOM 434 CA ASP A 30 -11.301 -1.186 4.003 1.00 0.35 C ATOM 435 C ASP A 30 -12.184 -0.198 3.305 1.00 0.37 C ATOM 436 O ASP A 30 -11.862 1.003 3.228 1.00 0.48 O ATOM 437 CB ASP A 30 -11.925 -1.641 5.334 1.00 0.51 C ATOM 438 CG ASP A 30 -12.501 -0.533 6.181 1.00 0.80 C ATOM 439 OD1 ASP A 30 -11.763 0.082 6.978 1.00 1.39 O ATOM 440 OD2 ASP A 30 -13.721 -0.303 6.116 1.00 1.30 O ATOM 0 H ASP A 30 -9.837 0.048 4.860 1.00 0.27 H new ATOM 0 HA ASP A 30 -11.219 -2.079 3.383 1.00 0.35 H new ATOM 0 HB2 ASP A 30 -12.714 -2.362 5.120 1.00 0.51 H new ATOM 0 HB3 ASP A 30 -11.165 -2.164 5.914 1.00 0.51 H new ATOM 445 N GLY A 31 -13.249 -0.713 2.749 1.00 0.37 N ATOM 446 CA GLY A 31 -14.215 0.077 2.070 1.00 0.42 C ATOM 447 C GLY A 31 -14.905 -0.735 1.004 1.00 0.46 C ATOM 448 O GLY A 31 -14.460 -1.840 0.671 1.00 0.60 O ATOM 0 H GLY A 31 -13.464 -1.710 2.761 1.00 0.37 H new ATOM 0 HA2 GLY A 31 -14.950 0.454 2.781 1.00 0.42 H new ATOM 0 HA3 GLY A 31 -13.733 0.945 1.620 1.00 0.42 H new ATOM 452 N GLN A 32 -16.000 -0.237 0.502 1.00 0.55 N ATOM 453 CA GLN A 32 -16.691 -0.897 -0.592 1.00 0.64 C ATOM 454 C GLN A 32 -16.526 -0.150 -1.894 1.00 0.61 C ATOM 455 O GLN A 32 -16.151 -0.771 -2.898 1.00 0.68 O ATOM 456 CB GLN A 32 -18.129 -1.308 -0.269 1.00 0.76 C ATOM 457 CG GLN A 32 -18.192 -2.550 0.606 1.00 0.99 C ATOM 458 CD GLN A 32 -17.681 -3.800 -0.114 1.00 1.82 C ATOM 459 OE1 GLN A 32 -18.452 -4.528 -0.744 1.00 2.42 O ATOM 460 NE2 GLN A 32 -16.386 -4.043 -0.058 1.00 2.61 N ATOM 0 H GLN A 32 -16.441 0.624 0.827 1.00 0.55 H new ATOM 0 HA GLN A 32 -16.191 -1.855 -0.736 1.00 0.64 H new ATOM 0 HB2 GLN A 32 -18.635 -0.485 0.236 1.00 0.76 H new ATOM 0 HB3 GLN A 32 -18.669 -1.493 -1.198 1.00 0.76 H new ATOM 0 HG2 GLN A 32 -17.601 -2.386 1.507 1.00 0.99 H new ATOM 0 HG3 GLN A 32 -19.221 -2.714 0.925 1.00 0.99 H new ATOM 0 HE21 GLN A 32 -15.773 -3.423 0.471 1.00 2.61 H new ATOM 0 HE22 GLN A 32 -15.997 -4.851 -0.544 1.00 2.61 H new ATOM 469 N PRO A 33 -16.817 1.184 -1.954 1.00 0.59 N ATOM 470 CA PRO A 33 -16.384 1.972 -3.086 1.00 0.62 C ATOM 471 C PRO A 33 -14.862 1.913 -3.104 1.00 0.53 C ATOM 472 O PRO A 33 -14.210 2.277 -2.106 1.00 0.44 O ATOM 473 CB PRO A 33 -16.865 3.402 -2.771 1.00 0.67 C ATOM 474 CG PRO A 33 -17.250 3.388 -1.330 1.00 0.78 C ATOM 475 CD PRO A 33 -17.634 1.976 -1.015 1.00 0.63 C ATOM 0 HA PRO A 33 -16.766 1.633 -4.049 1.00 0.62 H new ATOM 0 HB2 PRO A 33 -16.077 4.131 -2.959 1.00 0.67 H new ATOM 0 HB3 PRO A 33 -17.711 3.678 -3.400 1.00 0.67 H new ATOM 0 HG2 PRO A 33 -16.421 3.715 -0.702 1.00 0.78 H new ATOM 0 HG3 PRO A 33 -18.080 4.069 -1.142 1.00 0.78 H new ATOM 0 HD2 PRO A 33 -17.415 1.721 0.022 1.00 0.63 H new ATOM 0 HD3 PRO A 33 -18.700 1.806 -1.167 1.00 0.63 H new ATOM 483 N ALA A 34 -14.313 1.412 -4.186 1.00 0.62 N ATOM 484 CA ALA A 34 -12.888 1.159 -4.296 1.00 0.60 C ATOM 485 C ALA A 34 -12.072 2.435 -4.199 1.00 0.52 C ATOM 486 O ALA A 34 -12.195 3.319 -5.047 1.00 0.63 O ATOM 487 CB ALA A 34 -12.581 0.428 -5.593 1.00 0.78 C ATOM 0 H ALA A 34 -14.843 1.166 -5.022 1.00 0.62 H new ATOM 0 HA ALA A 34 -12.602 0.529 -3.454 1.00 0.60 H new ATOM 0 HB1 ALA A 34 -11.509 0.245 -5.662 1.00 0.78 H new ATOM 0 HB2 ALA A 34 -13.113 -0.523 -5.610 1.00 0.78 H new ATOM 0 HB3 ALA A 34 -12.900 1.037 -6.438 1.00 0.78 H new ATOM 493 N PRO A 35 -11.265 2.585 -3.139 1.00 0.39 N ATOM 494 CA PRO A 35 -10.410 3.737 -3.003 1.00 0.35 C ATOM 495 C PRO A 35 -9.133 3.590 -3.817 1.00 0.41 C ATOM 496 O PRO A 35 -8.575 2.476 -3.941 1.00 0.56 O ATOM 497 CB PRO A 35 -10.083 3.758 -1.520 1.00 0.29 C ATOM 498 CG PRO A 35 -10.091 2.327 -1.113 1.00 0.31 C ATOM 499 CD PRO A 35 -11.152 1.669 -1.968 1.00 0.37 C ATOM 0 HA PRO A 35 -10.887 4.649 -3.362 1.00 0.35 H new ATOM 0 HB2 PRO A 35 -9.112 4.217 -1.335 1.00 0.29 H new ATOM 0 HB3 PRO A 35 -10.820 4.334 -0.960 1.00 0.29 H new ATOM 0 HG2 PRO A 35 -9.116 1.868 -1.275 1.00 0.31 H new ATOM 0 HG3 PRO A 35 -10.321 2.222 -0.053 1.00 0.31 H new ATOM 0 HD2 PRO A 35 -10.859 0.664 -2.270 1.00 0.37 H new ATOM 0 HD3 PRO A 35 -12.099 1.578 -1.435 1.00 0.37 H new ATOM 507 N SER A 36 -8.696 4.678 -4.380 1.00 0.39 N ATOM 508 CA SER A 36 -7.472 4.723 -5.100 1.00 0.44 C ATOM 509 C SER A 36 -6.315 4.768 -4.107 1.00 0.37 C ATOM 510 O SER A 36 -6.268 5.647 -3.239 1.00 0.41 O ATOM 511 CB SER A 36 -7.497 5.945 -6.011 1.00 0.57 C ATOM 512 OG SER A 36 -8.049 7.067 -5.326 1.00 1.37 O ATOM 0 H SER A 36 -9.192 5.569 -4.347 1.00 0.39 H new ATOM 0 HA SER A 36 -7.340 3.837 -5.721 1.00 0.44 H new ATOM 0 HB2 SER A 36 -6.486 6.177 -6.346 1.00 0.57 H new ATOM 0 HB3 SER A 36 -8.086 5.730 -6.902 1.00 0.57 H new ATOM 0 HG SER A 36 -8.057 7.844 -5.924 1.00 1.37 H new ATOM 518 N LEU A 37 -5.445 3.790 -4.190 1.00 0.33 N ATOM 519 CA LEU A 37 -4.328 3.672 -3.290 1.00 0.30 C ATOM 520 C LEU A 37 -3.095 4.281 -3.899 1.00 0.32 C ATOM 521 O LEU A 37 -2.587 3.819 -4.938 1.00 0.50 O ATOM 522 CB LEU A 37 -4.081 2.218 -2.933 1.00 0.32 C ATOM 523 CG LEU A 37 -5.210 1.515 -2.181 1.00 0.32 C ATOM 524 CD1 LEU A 37 -4.910 0.048 -2.059 1.00 0.43 C ATOM 525 CD2 LEU A 37 -5.378 2.119 -0.797 1.00 0.27 C ATOM 0 H LEU A 37 -5.495 3.050 -4.890 1.00 0.33 H new ATOM 0 HA LEU A 37 -4.566 4.214 -2.375 1.00 0.30 H new ATOM 0 HB2 LEU A 37 -3.884 1.667 -3.852 1.00 0.32 H new ATOM 0 HB3 LEU A 37 -3.176 2.161 -2.327 1.00 0.32 H new ATOM 0 HG LEU A 37 -6.136 1.648 -2.740 1.00 0.32 H new ATOM 0 HD11 LEU A 37 -5.720 -0.446 -1.522 1.00 0.43 H new ATOM 0 HD12 LEU A 37 -4.816 -0.388 -3.054 1.00 0.43 H new ATOM 0 HD13 LEU A 37 -3.976 -0.088 -1.513 1.00 0.43 H new ATOM 0 HD21 LEU A 37 -6.186 1.608 -0.273 1.00 0.27 H new ATOM 0 HD22 LEU A 37 -4.451 2.004 -0.235 1.00 0.27 H new ATOM 0 HD23 LEU A 37 -5.618 3.178 -0.889 1.00 0.27 H new ATOM 537 N ARG A 38 -2.615 5.295 -3.258 1.00 0.23 N ATOM 538 CA ARG A 38 -1.483 6.045 -3.721 1.00 0.23 C ATOM 539 C ARG A 38 -0.440 6.106 -2.636 1.00 0.22 C ATOM 540 O ARG A 38 -0.767 6.351 -1.468 1.00 0.26 O ATOM 541 CB ARG A 38 -1.933 7.457 -4.080 1.00 0.28 C ATOM 542 CG ARG A 38 -0.840 8.366 -4.627 1.00 0.33 C ATOM 543 CD ARG A 38 -1.393 9.746 -4.916 1.00 1.28 C ATOM 544 NE ARG A 38 -2.555 9.689 -5.813 1.00 1.98 N ATOM 545 CZ ARG A 38 -3.419 10.685 -6.020 1.00 3.10 C ATOM 546 NH1 ARG A 38 -3.237 11.869 -5.439 1.00 3.72 N ATOM 547 NH2 ARG A 38 -4.456 10.492 -6.829 1.00 3.78 N ATOM 0 H ARG A 38 -3.003 5.636 -2.379 1.00 0.23 H new ATOM 0 HA ARG A 38 -1.057 5.562 -4.600 1.00 0.23 H new ATOM 0 HB2 ARG A 38 -2.731 7.390 -4.819 1.00 0.28 H new ATOM 0 HB3 ARG A 38 -2.360 7.922 -3.191 1.00 0.28 H new ATOM 0 HG2 ARG A 38 -0.025 8.438 -3.907 1.00 0.33 H new ATOM 0 HG3 ARG A 38 -0.424 7.936 -5.538 1.00 0.33 H new ATOM 0 HD2 ARG A 38 -1.679 10.227 -3.980 1.00 1.28 H new ATOM 0 HD3 ARG A 38 -0.615 10.363 -5.367 1.00 1.28 H new ATOM 0 HE ARG A 38 -2.714 8.818 -6.319 1.00 1.98 H new ATOM 0 HH11 ARG A 38 -2.433 12.020 -4.830 1.00 3.72 H new ATOM 0 HH12 ARG A 38 -3.902 12.625 -5.602 1.00 3.72 H new ATOM 0 HH21 ARG A 38 -4.586 9.589 -7.285 1.00 3.78 H new ATOM 0 HH22 ARG A 38 -5.122 11.247 -6.994 1.00 3.78 H new ATOM 561 N TRP A 39 0.789 5.878 -3.003 1.00 0.22 N ATOM 562 CA TRP A 39 1.871 5.966 -2.075 1.00 0.22 C ATOM 563 C TRP A 39 2.547 7.298 -2.214 1.00 0.20 C ATOM 564 O TRP A 39 3.093 7.631 -3.277 1.00 0.26 O ATOM 565 CB TRP A 39 2.899 4.858 -2.289 1.00 0.25 C ATOM 566 CG TRP A 39 2.399 3.485 -2.012 1.00 0.25 C ATOM 567 CD1 TRP A 39 1.958 2.583 -2.923 1.00 0.29 C ATOM 568 CD2 TRP A 39 2.293 2.851 -0.730 1.00 0.24 C ATOM 569 NE1 TRP A 39 1.595 1.424 -2.296 1.00 0.29 N ATOM 570 CE2 TRP A 39 1.785 1.560 -0.948 1.00 0.26 C ATOM 571 CE3 TRP A 39 2.580 3.250 0.580 1.00 0.25 C ATOM 572 CZ2 TRP A 39 1.559 0.661 0.090 1.00 0.26 C ATOM 573 CZ3 TRP A 39 2.356 2.358 1.611 1.00 0.26 C ATOM 574 CH2 TRP A 39 1.850 1.076 1.359 1.00 0.26 C ATOM 0 H TRP A 39 1.065 5.627 -3.952 1.00 0.22 H new ATOM 0 HA TRP A 39 1.455 5.852 -1.074 1.00 0.22 H new ATOM 0 HB2 TRP A 39 3.250 4.901 -3.320 1.00 0.25 H new ATOM 0 HB3 TRP A 39 3.761 5.052 -1.650 1.00 0.25 H new ATOM 0 HD1 TRP A 39 1.902 2.755 -3.988 1.00 0.29 H new ATOM 0 HE1 TRP A 39 1.238 0.589 -2.760 1.00 0.29 H new ATOM 0 HE3 TRP A 39 2.969 4.237 0.782 1.00 0.25 H new ATOM 0 HZ2 TRP A 39 1.168 -0.328 -0.100 1.00 0.26 H new ATOM 0 HZ3 TRP A 39 2.574 2.653 2.627 1.00 0.26 H new ATOM 0 HH2 TRP A 39 1.686 0.401 2.186 1.00 0.26 H new ATOM 585 N LEU A 40 2.481 8.068 -1.192 1.00 0.25 N ATOM 586 CA LEU A 40 3.184 9.298 -1.163 1.00 0.24 C ATOM 587 C LEU A 40 4.403 9.032 -0.309 1.00 0.27 C ATOM 588 O LEU A 40 4.288 8.516 0.798 1.00 0.34 O ATOM 589 CB LEU A 40 2.306 10.399 -0.556 1.00 0.31 C ATOM 590 CG LEU A 40 2.784 11.839 -0.710 1.00 0.49 C ATOM 591 CD1 LEU A 40 2.699 12.262 -2.159 1.00 0.66 C ATOM 592 CD2 LEU A 40 1.966 12.769 0.169 1.00 0.95 C ATOM 0 H LEU A 40 1.939 7.865 -0.352 1.00 0.25 H new ATOM 0 HA LEU A 40 3.462 9.643 -2.159 1.00 0.24 H new ATOM 0 HB2 LEU A 40 1.314 10.323 -1.001 1.00 0.31 H new ATOM 0 HB3 LEU A 40 2.194 10.193 0.508 1.00 0.31 H new ATOM 0 HG LEU A 40 3.824 11.899 -0.391 1.00 0.49 H new ATOM 0 HD11 LEU A 40 3.043 13.292 -2.258 1.00 0.66 H new ATOM 0 HD12 LEU A 40 3.327 11.610 -2.766 1.00 0.66 H new ATOM 0 HD13 LEU A 40 1.666 12.190 -2.499 1.00 0.66 H new ATOM 0 HD21 LEU A 40 2.321 13.792 0.046 1.00 0.95 H new ATOM 0 HD22 LEU A 40 0.916 12.712 -0.119 1.00 0.95 H new ATOM 0 HD23 LEU A 40 2.072 12.471 1.212 1.00 0.95 H new ATOM 604 N PHE A 41 5.535 9.329 -0.816 1.00 0.28 N ATOM 605 CA PHE A 41 6.757 9.055 -0.145 1.00 0.35 C ATOM 606 C PHE A 41 7.521 10.336 0.021 1.00 0.38 C ATOM 607 O PHE A 41 7.991 10.910 -0.967 1.00 0.41 O ATOM 608 CB PHE A 41 7.576 8.030 -0.947 1.00 0.45 C ATOM 609 CG PHE A 41 8.893 7.688 -0.324 1.00 0.58 C ATOM 610 CD1 PHE A 41 10.049 8.304 -0.750 1.00 0.75 C ATOM 611 CD2 PHE A 41 8.974 6.742 0.681 1.00 0.60 C ATOM 612 CE1 PHE A 41 11.259 7.985 -0.191 1.00 0.88 C ATOM 613 CE2 PHE A 41 10.180 6.420 1.244 1.00 0.74 C ATOM 614 CZ PHE A 41 11.318 7.075 0.842 1.00 0.86 C ATOM 0 H PHE A 41 5.648 9.778 -1.725 1.00 0.28 H new ATOM 0 HA PHE A 41 6.555 8.632 0.839 1.00 0.35 H new ATOM 0 HB2 PHE A 41 6.990 7.118 -1.059 1.00 0.45 H new ATOM 0 HB3 PHE A 41 7.750 8.422 -1.949 1.00 0.45 H new ATOM 0 HD1 PHE A 41 10.001 9.046 -1.533 1.00 0.75 H new ATOM 0 HD2 PHE A 41 8.076 6.251 1.026 1.00 0.60 H new ATOM 0 HE1 PHE A 41 12.164 8.446 -0.559 1.00 0.88 H new ATOM 0 HE2 PHE A 41 10.236 5.653 2.002 1.00 0.74 H new ATOM 0 HZ PHE A 41 12.258 6.877 1.335 1.00 0.86 H new ATOM 624 N ASN A 42 7.592 10.809 1.251 1.00 0.46 N ATOM 625 CA ASN A 42 8.328 12.032 1.600 1.00 0.57 C ATOM 626 C ASN A 42 7.782 13.242 0.856 1.00 0.53 C ATOM 627 O ASN A 42 8.531 14.151 0.465 1.00 0.69 O ATOM 628 CB ASN A 42 9.846 11.877 1.344 1.00 0.73 C ATOM 629 CG ASN A 42 10.568 11.006 2.361 1.00 1.12 C ATOM 630 OD1 ASN A 42 9.989 10.123 3.002 1.00 1.79 O ATOM 631 ND2 ASN A 42 11.841 11.219 2.491 1.00 1.72 N ATOM 0 H ASN A 42 7.141 10.360 2.048 1.00 0.46 H new ATOM 0 HA ASN A 42 8.183 12.196 2.668 1.00 0.57 H new ATOM 0 HB2 ASN A 42 9.993 11.453 0.351 1.00 0.73 H new ATOM 0 HB3 ASN A 42 10.304 12.866 1.340 1.00 0.73 H new ATOM 0 HD21 ASN A 42 12.390 10.650 3.135 1.00 1.72 H new ATOM 0 HD22 ASN A 42 12.293 11.955 1.949 1.00 1.72 H new ATOM 638 N GLY A 43 6.484 13.245 0.640 1.00 0.45 N ATOM 639 CA GLY A 43 5.840 14.341 -0.055 1.00 0.51 C ATOM 640 C GLY A 43 5.968 14.230 -1.566 1.00 0.47 C ATOM 641 O GLY A 43 5.599 15.139 -2.290 1.00 0.61 O ATOM 0 H GLY A 43 5.853 12.500 0.936 1.00 0.45 H new ATOM 0 HA2 GLY A 43 4.784 14.368 0.216 1.00 0.51 H new ATOM 0 HA3 GLY A 43 6.278 15.283 0.275 1.00 0.51 H new ATOM 645 N SER A 44 6.496 13.130 -2.028 1.00 0.38 N ATOM 646 CA SER A 44 6.666 12.883 -3.436 1.00 0.40 C ATOM 647 C SER A 44 5.819 11.708 -3.805 1.00 0.33 C ATOM 648 O SER A 44 5.599 10.820 -2.996 1.00 0.28 O ATOM 649 CB SER A 44 8.150 12.603 -3.745 1.00 0.51 C ATOM 650 OG SER A 44 8.377 12.408 -5.135 1.00 1.37 O ATOM 0 H SER A 44 6.825 12.370 -1.432 1.00 0.38 H new ATOM 0 HA SER A 44 6.362 13.754 -4.017 1.00 0.40 H new ATOM 0 HB2 SER A 44 8.757 13.436 -3.392 1.00 0.51 H new ATOM 0 HB3 SER A 44 8.474 11.718 -3.197 1.00 0.51 H new ATOM 0 HG SER A 44 9.329 12.235 -5.290 1.00 1.37 H new ATOM 656 N VAL A 45 5.315 11.719 -4.997 1.00 0.41 N ATOM 657 CA VAL A 45 4.497 10.643 -5.458 1.00 0.41 C ATOM 658 C VAL A 45 5.401 9.481 -5.810 1.00 0.39 C ATOM 659 O VAL A 45 6.231 9.590 -6.725 1.00 0.45 O ATOM 660 CB VAL A 45 3.644 11.044 -6.690 1.00 0.55 C ATOM 661 CG1 VAL A 45 2.818 9.878 -7.165 1.00 0.68 C ATOM 662 CG2 VAL A 45 2.737 12.210 -6.366 1.00 0.70 C ATOM 0 H VAL A 45 5.457 12.468 -5.675 1.00 0.41 H new ATOM 0 HA VAL A 45 3.800 10.368 -4.666 1.00 0.41 H new ATOM 0 HB VAL A 45 4.329 11.344 -7.483 1.00 0.55 H new ATOM 0 HG11 VAL A 45 2.227 10.179 -8.030 1.00 0.68 H new ATOM 0 HG12 VAL A 45 3.476 9.055 -7.444 1.00 0.68 H new ATOM 0 HG13 VAL A 45 2.152 9.554 -6.365 1.00 0.68 H new ATOM 0 HG21 VAL A 45 2.150 12.470 -7.247 1.00 0.70 H new ATOM 0 HG22 VAL A 45 2.066 11.934 -5.552 1.00 0.70 H new ATOM 0 HG23 VAL A 45 3.340 13.067 -6.065 1.00 0.70 H new ATOM 672 N LEU A 46 5.275 8.404 -5.078 1.00 0.37 N ATOM 673 CA LEU A 46 6.088 7.244 -5.305 1.00 0.40 C ATOM 674 C LEU A 46 5.575 6.526 -6.526 1.00 0.44 C ATOM 675 O LEU A 46 4.409 6.095 -6.565 1.00 0.51 O ATOM 676 CB LEU A 46 6.056 6.314 -4.090 1.00 0.44 C ATOM 677 CG LEU A 46 6.880 5.026 -4.196 1.00 0.51 C ATOM 678 CD1 LEU A 46 8.370 5.330 -4.300 1.00 0.57 C ATOM 679 CD2 LEU A 46 6.592 4.119 -3.017 1.00 0.61 C ATOM 0 H LEU A 46 4.608 8.309 -4.312 1.00 0.37 H new ATOM 0 HA LEU A 46 7.122 7.551 -5.463 1.00 0.40 H new ATOM 0 HB2 LEU A 46 6.406 6.873 -3.222 1.00 0.44 H new ATOM 0 HB3 LEU A 46 5.019 6.041 -3.896 1.00 0.44 H new ATOM 0 HG LEU A 46 6.587 4.509 -5.110 1.00 0.51 H new ATOM 0 HD11 LEU A 46 8.928 4.396 -4.374 1.00 0.57 H new ATOM 0 HD12 LEU A 46 8.557 5.935 -5.187 1.00 0.57 H new ATOM 0 HD13 LEU A 46 8.693 5.876 -3.414 1.00 0.57 H new ATOM 0 HD21 LEU A 46 7.184 3.208 -3.106 1.00 0.61 H new ATOM 0 HD22 LEU A 46 6.852 4.632 -2.091 1.00 0.61 H new ATOM 0 HD23 LEU A 46 5.532 3.863 -3.005 1.00 0.61 H new ATOM 691 N ASN A 47 6.404 6.428 -7.523 1.00 0.54 N ATOM 692 CA ASN A 47 6.013 5.774 -8.726 1.00 0.59 C ATOM 693 C ASN A 47 6.147 4.278 -8.552 1.00 0.53 C ATOM 694 O ASN A 47 7.247 3.765 -8.324 1.00 0.64 O ATOM 695 CB ASN A 47 6.848 6.240 -9.924 1.00 0.79 C ATOM 696 CG ASN A 47 6.369 5.637 -11.245 1.00 1.54 C ATOM 697 OD1 ASN A 47 5.075 5.464 -11.386 1.00 2.47 O flip ATOM 698 ND2 ASN A 47 7.168 5.371 -12.151 1.00 1.94 N flip ATOM 0 H ASN A 47 7.356 6.795 -7.522 1.00 0.54 H new ATOM 0 HA ASN A 47 4.974 6.033 -8.930 1.00 0.59 H new ATOM 0 HB2 ASN A 47 6.808 7.327 -9.989 1.00 0.79 H new ATOM 0 HB3 ASN A 47 7.891 5.969 -9.762 1.00 0.79 H new ATOM 0 HD21 ASN A 47 8.167 5.517 -12.009 1.00 1.94 H new ATOM 0 HD22 ASN A 47 6.827 5.006 -13.040 1.00 1.94 H new ATOM 705 N GLU A 48 5.035 3.603 -8.600 1.00 0.49 N ATOM 706 CA GLU A 48 5.000 2.172 -8.504 1.00 0.53 C ATOM 707 C GLU A 48 5.543 1.587 -9.801 1.00 0.53 C ATOM 708 O GLU A 48 4.916 1.678 -10.868 1.00 0.70 O ATOM 709 CB GLU A 48 3.577 1.727 -8.229 1.00 0.69 C ATOM 710 CG GLU A 48 3.025 2.286 -6.920 1.00 0.74 C ATOM 711 CD GLU A 48 1.531 2.220 -6.857 1.00 1.12 C ATOM 712 OE1 GLU A 48 0.856 3.172 -7.274 1.00 1.56 O ATOM 713 OE2 GLU A 48 0.999 1.211 -6.347 1.00 1.74 O ATOM 0 H GLU A 48 4.117 4.035 -8.708 1.00 0.49 H new ATOM 0 HA GLU A 48 5.621 1.816 -7.682 1.00 0.53 H new ATOM 0 HB2 GLU A 48 2.937 2.043 -9.052 1.00 0.69 H new ATOM 0 HB3 GLU A 48 3.541 0.638 -8.197 1.00 0.69 H new ATOM 0 HG2 GLU A 48 3.446 1.728 -6.084 1.00 0.74 H new ATOM 0 HG3 GLU A 48 3.345 3.322 -6.806 1.00 0.74 H new ATOM 720 N THR A 49 6.711 1.050 -9.699 1.00 0.53 N ATOM 721 CA THR A 49 7.453 0.523 -10.793 1.00 0.58 C ATOM 722 C THR A 49 7.390 -1.002 -10.769 1.00 0.60 C ATOM 723 O THR A 49 6.495 -1.574 -10.153 1.00 0.65 O ATOM 724 CB THR A 49 8.924 0.988 -10.684 1.00 0.71 C ATOM 725 OG1 THR A 49 9.447 0.630 -9.386 1.00 1.57 O ATOM 726 CG2 THR A 49 9.036 2.495 -10.870 1.00 0.98 C ATOM 0 H THR A 49 7.198 0.962 -8.807 1.00 0.53 H new ATOM 0 HA THR A 49 7.027 0.882 -11.730 1.00 0.58 H new ATOM 0 HB THR A 49 9.498 0.497 -11.470 1.00 0.71 H new ATOM 0 HG1 THR A 49 10.380 0.923 -9.317 1.00 1.57 H new ATOM 0 HG21 THR A 49 10.081 2.795 -10.789 1.00 0.98 H new ATOM 0 HG22 THR A 49 8.655 2.769 -11.854 1.00 0.98 H new ATOM 0 HG23 THR A 49 8.452 3.001 -10.101 1.00 0.98 H new ATOM 734 N SER A 50 8.270 -1.662 -11.472 1.00 0.68 N ATOM 735 CA SER A 50 8.337 -3.090 -11.373 1.00 0.78 C ATOM 736 C SER A 50 9.148 -3.465 -10.116 1.00 0.72 C ATOM 737 O SER A 50 8.928 -4.511 -9.503 1.00 0.86 O ATOM 738 CB SER A 50 8.977 -3.686 -12.637 1.00 0.96 C ATOM 739 OG SER A 50 8.982 -5.108 -12.603 1.00 1.52 O ATOM 0 H SER A 50 8.942 -1.238 -12.112 1.00 0.68 H new ATOM 0 HA SER A 50 7.331 -3.501 -11.287 1.00 0.78 H new ATOM 0 HB2 SER A 50 8.431 -3.345 -13.517 1.00 0.96 H new ATOM 0 HB3 SER A 50 9.999 -3.321 -12.734 1.00 0.96 H new ATOM 0 HG SER A 50 9.394 -5.453 -13.422 1.00 1.52 H new ATOM 745 N PHE A 51 10.043 -2.567 -9.713 1.00 0.64 N ATOM 746 CA PHE A 51 10.935 -2.807 -8.586 1.00 0.68 C ATOM 747 C PHE A 51 10.200 -2.584 -7.277 1.00 0.55 C ATOM 748 O PHE A 51 10.376 -3.333 -6.311 1.00 0.61 O ATOM 749 CB PHE A 51 12.154 -1.878 -8.667 1.00 0.87 C ATOM 750 CG PHE A 51 12.912 -1.981 -9.966 1.00 1.08 C ATOM 751 CD1 PHE A 51 13.864 -2.974 -10.151 1.00 1.39 C ATOM 752 CD2 PHE A 51 12.680 -1.084 -10.993 1.00 1.16 C ATOM 753 CE1 PHE A 51 14.567 -3.067 -11.333 1.00 1.59 C ATOM 754 CE2 PHE A 51 13.382 -1.175 -12.181 1.00 1.37 C ATOM 755 CZ PHE A 51 14.293 -2.170 -12.367 1.00 1.52 C ATOM 0 H PHE A 51 10.169 -1.657 -10.157 1.00 0.64 H new ATOM 0 HA PHE A 51 11.276 -3.842 -8.627 1.00 0.68 H new ATOM 0 HB2 PHE A 51 11.824 -0.848 -8.530 1.00 0.87 H new ATOM 0 HB3 PHE A 51 12.830 -2.108 -7.843 1.00 0.87 H new ATOM 0 HD1 PHE A 51 14.056 -3.683 -9.359 1.00 1.39 H new ATOM 0 HD2 PHE A 51 11.943 -0.305 -10.866 1.00 1.16 H new ATOM 0 HE1 PHE A 51 15.324 -3.828 -11.458 1.00 1.59 H new ATOM 0 HE2 PHE A 51 13.207 -0.453 -12.965 1.00 1.37 H new ATOM 0 HZ PHE A 51 14.803 -2.265 -13.314 1.00 1.52 H new ATOM 765 N ILE A 52 9.386 -1.556 -7.259 1.00 0.46 N ATOM 766 CA ILE A 52 8.568 -1.221 -6.115 1.00 0.39 C ATOM 767 C ILE A 52 7.132 -1.275 -6.604 1.00 0.37 C ATOM 768 O ILE A 52 6.699 -0.379 -7.315 1.00 0.43 O ATOM 769 CB ILE A 52 8.883 0.236 -5.647 1.00 0.41 C ATOM 770 CG1 ILE A 52 10.388 0.408 -5.395 1.00 0.46 C ATOM 771 CG2 ILE A 52 8.096 0.592 -4.391 1.00 0.41 C ATOM 772 CD1 ILE A 52 10.786 1.816 -5.010 1.00 0.50 C ATOM 0 H ILE A 52 9.271 -0.920 -8.048 1.00 0.46 H new ATOM 0 HA ILE A 52 8.751 -1.901 -5.283 1.00 0.39 H new ATOM 0 HB ILE A 52 8.580 0.915 -6.444 1.00 0.41 H new ATOM 0 HG12 ILE A 52 10.695 -0.276 -4.603 1.00 0.46 H new ATOM 0 HG13 ILE A 52 10.933 0.119 -6.294 1.00 0.46 H new ATOM 0 HG21 ILE A 52 8.335 1.611 -4.088 1.00 0.41 H new ATOM 0 HG22 ILE A 52 7.028 0.516 -4.597 1.00 0.41 H new ATOM 0 HG23 ILE A 52 8.361 -0.096 -3.588 1.00 0.41 H new ATOM 0 HD11 ILE A 52 11.863 1.858 -4.848 1.00 0.50 H new ATOM 0 HD12 ILE A 52 10.512 2.503 -5.810 1.00 0.50 H new ATOM 0 HD13 ILE A 52 10.270 2.102 -4.093 1.00 0.50 H new ATOM 784 N PHE A 53 6.398 -2.297 -6.236 1.00 0.33 N ATOM 785 CA PHE A 53 5.074 -2.489 -6.799 1.00 0.37 C ATOM 786 C PHE A 53 4.077 -2.944 -5.737 1.00 0.31 C ATOM 787 O PHE A 53 4.411 -3.746 -4.853 1.00 0.29 O ATOM 788 CB PHE A 53 5.180 -3.511 -7.944 1.00 0.48 C ATOM 789 CG PHE A 53 3.916 -3.773 -8.706 1.00 1.06 C ATOM 790 CD1 PHE A 53 3.398 -2.822 -9.557 1.00 1.95 C ATOM 791 CD2 PHE A 53 3.262 -4.980 -8.583 1.00 1.15 C ATOM 792 CE1 PHE A 53 2.247 -3.070 -10.268 1.00 2.87 C ATOM 793 CE2 PHE A 53 2.108 -5.235 -9.289 1.00 2.02 C ATOM 794 CZ PHE A 53 1.599 -4.279 -10.133 1.00 2.89 C ATOM 0 H PHE A 53 6.686 -3.003 -5.558 1.00 0.33 H new ATOM 0 HA PHE A 53 4.700 -1.541 -7.187 1.00 0.37 H new ATOM 0 HB2 PHE A 53 5.939 -3.165 -8.645 1.00 0.48 H new ATOM 0 HB3 PHE A 53 5.535 -4.455 -7.531 1.00 0.48 H new ATOM 0 HD1 PHE A 53 3.900 -1.872 -9.667 1.00 1.95 H new ATOM 0 HD2 PHE A 53 3.661 -5.737 -7.923 1.00 1.15 H new ATOM 0 HE1 PHE A 53 1.851 -2.317 -10.933 1.00 2.87 H new ATOM 0 HE2 PHE A 53 1.605 -6.184 -9.179 1.00 2.02 H new ATOM 0 HZ PHE A 53 0.694 -4.474 -10.689 1.00 2.89 H new ATOM 804 N THR A 54 2.876 -2.423 -5.815 1.00 0.35 N ATOM 805 CA THR A 54 1.827 -2.755 -4.885 1.00 0.35 C ATOM 806 C THR A 54 1.078 -4.004 -5.354 1.00 0.35 C ATOM 807 O THR A 54 0.391 -3.984 -6.383 1.00 0.40 O ATOM 808 CB THR A 54 0.833 -1.584 -4.765 1.00 0.39 C ATOM 809 OG1 THR A 54 1.544 -0.392 -4.432 1.00 0.43 O ATOM 810 CG2 THR A 54 -0.200 -1.848 -3.690 1.00 0.44 C ATOM 0 H THR A 54 2.599 -1.752 -6.531 1.00 0.35 H new ATOM 0 HA THR A 54 2.279 -2.949 -3.912 1.00 0.35 H new ATOM 0 HB THR A 54 0.323 -1.474 -5.722 1.00 0.39 H new ATOM 0 HG1 THR A 54 1.716 0.125 -5.247 1.00 0.43 H new ATOM 0 HG21 THR A 54 -0.887 -1.004 -3.630 1.00 0.44 H new ATOM 0 HG22 THR A 54 -0.757 -2.752 -3.935 1.00 0.44 H new ATOM 0 HG23 THR A 54 0.299 -1.979 -2.730 1.00 0.44 H new ATOM 818 N GLU A 55 1.222 -5.073 -4.621 1.00 0.36 N ATOM 819 CA GLU A 55 0.536 -6.297 -4.930 1.00 0.42 C ATOM 820 C GLU A 55 -0.510 -6.553 -3.875 1.00 0.44 C ATOM 821 O GLU A 55 -0.383 -6.088 -2.745 1.00 0.57 O ATOM 822 CB GLU A 55 1.509 -7.460 -5.045 1.00 0.60 C ATOM 823 CG GLU A 55 2.446 -7.326 -6.226 1.00 1.21 C ATOM 824 CD GLU A 55 3.383 -8.485 -6.381 1.00 1.38 C ATOM 825 OE1 GLU A 55 2.911 -9.632 -6.535 1.00 1.67 O ATOM 826 OE2 GLU A 55 4.611 -8.275 -6.391 1.00 2.04 O ATOM 0 H GLU A 55 1.817 -5.121 -3.794 1.00 0.36 H new ATOM 0 HA GLU A 55 0.047 -6.202 -5.899 1.00 0.42 H new ATOM 0 HB2 GLU A 55 2.095 -7.530 -4.128 1.00 0.60 H new ATOM 0 HB3 GLU A 55 0.948 -8.390 -5.136 1.00 0.60 H new ATOM 0 HG2 GLU A 55 1.857 -7.221 -7.137 1.00 1.21 H new ATOM 0 HG3 GLU A 55 3.028 -6.411 -6.116 1.00 1.21 H new ATOM 833 N PHE A 56 -1.542 -7.242 -4.235 1.00 0.52 N ATOM 834 CA PHE A 56 -2.642 -7.467 -3.333 1.00 0.62 C ATOM 835 C PHE A 56 -2.822 -8.932 -3.067 1.00 0.73 C ATOM 836 O PHE A 56 -2.293 -9.778 -3.799 1.00 0.87 O ATOM 837 CB PHE A 56 -3.933 -6.876 -3.910 1.00 0.68 C ATOM 838 CG PHE A 56 -3.901 -5.383 -4.064 1.00 0.63 C ATOM 839 CD1 PHE A 56 -4.452 -4.558 -3.098 1.00 0.69 C ATOM 840 CD2 PHE A 56 -3.322 -4.807 -5.175 1.00 0.61 C ATOM 841 CE1 PHE A 56 -4.427 -3.192 -3.237 1.00 0.69 C ATOM 842 CE2 PHE A 56 -3.292 -3.441 -5.319 1.00 0.59 C ATOM 843 CZ PHE A 56 -3.835 -2.631 -4.348 1.00 0.61 C ATOM 0 H PHE A 56 -1.654 -7.666 -5.156 1.00 0.52 H new ATOM 0 HA PHE A 56 -2.415 -6.970 -2.390 1.00 0.62 H new ATOM 0 HB2 PHE A 56 -4.125 -7.328 -4.883 1.00 0.68 H new ATOM 0 HB3 PHE A 56 -4.767 -7.147 -3.262 1.00 0.68 H new ATOM 0 HD1 PHE A 56 -4.908 -4.995 -2.222 1.00 0.69 H new ATOM 0 HD2 PHE A 56 -2.888 -5.435 -5.939 1.00 0.61 H new ATOM 0 HE1 PHE A 56 -4.869 -2.561 -2.480 1.00 0.69 H new ATOM 0 HE2 PHE A 56 -2.841 -3.002 -6.197 1.00 0.59 H new ATOM 0 HZ PHE A 56 -3.797 -1.557 -4.456 1.00 0.61 H new ATOM 853 N LEU A 57 -3.540 -9.243 -2.030 1.00 0.77 N ATOM 854 CA LEU A 57 -3.857 -10.595 -1.726 1.00 0.93 C ATOM 855 C LEU A 57 -5.354 -10.659 -1.653 1.00 1.04 C ATOM 856 O LEU A 57 -5.995 -9.715 -1.177 1.00 1.04 O ATOM 857 CB LEU A 57 -3.140 -11.092 -0.422 1.00 1.01 C ATOM 858 CG LEU A 57 -3.657 -10.630 0.949 1.00 0.99 C ATOM 859 CD1 LEU A 57 -4.826 -11.501 1.418 1.00 1.25 C ATOM 860 CD2 LEU A 57 -2.539 -10.647 1.976 1.00 1.16 C ATOM 0 H LEU A 57 -3.920 -8.561 -1.373 1.00 0.77 H new ATOM 0 HA LEU A 57 -3.491 -11.277 -2.493 1.00 0.93 H new ATOM 0 HB2 LEU A 57 -3.166 -12.182 -0.430 1.00 1.01 H new ATOM 0 HB3 LEU A 57 -2.093 -10.797 -0.492 1.00 1.01 H new ATOM 0 HG LEU A 57 -4.017 -9.606 0.844 1.00 0.99 H new ATOM 0 HD11 LEU A 57 -5.172 -11.152 2.391 1.00 1.25 H new ATOM 0 HD12 LEU A 57 -5.641 -11.435 0.697 1.00 1.25 H new ATOM 0 HD13 LEU A 57 -4.498 -12.537 1.500 1.00 1.25 H new ATOM 0 HD21 LEU A 57 -2.926 -10.317 2.940 1.00 1.16 H new ATOM 0 HD22 LEU A 57 -2.147 -11.660 2.070 1.00 1.16 H new ATOM 0 HD23 LEU A 57 -1.741 -9.977 1.656 1.00 1.16 H new ATOM 872 N GLU A 58 -5.896 -11.723 -2.156 1.00 1.18 N ATOM 873 CA GLU A 58 -7.318 -11.897 -2.268 1.00 1.31 C ATOM 874 C GLU A 58 -7.984 -11.944 -0.893 1.00 1.24 C ATOM 875 O GLU A 58 -7.717 -12.854 -0.097 1.00 1.32 O ATOM 876 CB GLU A 58 -7.591 -13.180 -3.006 1.00 1.61 C ATOM 877 CG GLU A 58 -9.047 -13.424 -3.319 1.00 2.01 C ATOM 878 CD GLU A 58 -9.267 -14.801 -3.848 1.00 2.65 C ATOM 879 OE1 GLU A 58 -9.719 -15.670 -3.074 1.00 3.36 O ATOM 880 OE2 GLU A 58 -8.949 -15.060 -5.026 1.00 2.90 O ATOM 0 H GLU A 58 -5.356 -12.513 -2.508 1.00 1.18 H new ATOM 0 HA GLU A 58 -7.733 -11.048 -2.811 1.00 1.31 H new ATOM 0 HB2 GLU A 58 -7.028 -13.175 -3.939 1.00 1.61 H new ATOM 0 HB3 GLU A 58 -7.216 -14.013 -2.412 1.00 1.61 H new ATOM 0 HG2 GLU A 58 -9.643 -13.279 -2.418 1.00 2.01 H new ATOM 0 HG3 GLU A 58 -9.391 -12.692 -4.050 1.00 2.01 H new ATOM 887 N PRO A 59 -8.852 -10.977 -0.600 1.00 1.21 N ATOM 888 CA PRO A 59 -9.572 -10.931 0.652 1.00 1.25 C ATOM 889 C PRO A 59 -10.780 -11.868 0.613 1.00 1.26 C ATOM 890 O PRO A 59 -11.146 -12.401 -0.455 1.00 1.35 O ATOM 891 CB PRO A 59 -10.016 -9.469 0.740 1.00 1.37 C ATOM 892 CG PRO A 59 -10.150 -9.010 -0.671 1.00 1.39 C ATOM 893 CD PRO A 59 -9.207 -9.848 -1.490 1.00 1.30 C ATOM 0 HA PRO A 59 -8.976 -11.249 1.507 1.00 1.25 H new ATOM 0 HB2 PRO A 59 -10.962 -9.377 1.274 1.00 1.37 H new ATOM 0 HB3 PRO A 59 -9.285 -8.868 1.281 1.00 1.37 H new ATOM 0 HG2 PRO A 59 -11.176 -9.128 -1.021 1.00 1.39 H new ATOM 0 HG3 PRO A 59 -9.903 -7.952 -0.759 1.00 1.39 H new ATOM 0 HD2 PRO A 59 -9.681 -10.198 -2.407 1.00 1.30 H new ATOM 0 HD3 PRO A 59 -8.324 -9.281 -1.784 1.00 1.30 H new ATOM 901 N ALA A 60 -11.379 -12.083 1.750 1.00 1.29 N ATOM 902 CA ALA A 60 -12.543 -12.922 1.849 1.00 1.40 C ATOM 903 C ALA A 60 -13.746 -12.110 1.431 1.00 1.40 C ATOM 904 O ALA A 60 -13.828 -10.922 1.721 1.00 1.33 O ATOM 905 CB ALA A 60 -12.705 -13.412 3.278 1.00 1.53 C ATOM 0 H ALA A 60 -11.075 -11.681 2.637 1.00 1.29 H new ATOM 0 HA ALA A 60 -12.441 -13.792 1.201 1.00 1.40 H new ATOM 0 HB1 ALA A 60 -13.588 -14.047 3.347 1.00 1.53 H new ATOM 0 HB2 ALA A 60 -11.824 -13.984 3.569 1.00 1.53 H new ATOM 0 HB3 ALA A 60 -12.820 -12.557 3.945 1.00 1.53 H new ATOM 911 N ALA A 61 -14.669 -12.746 0.738 1.00 1.55 N ATOM 912 CA ALA A 61 -15.862 -12.081 0.199 1.00 1.65 C ATOM 913 C ALA A 61 -16.784 -11.552 1.296 1.00 1.59 C ATOM 914 O ALA A 61 -17.651 -10.723 1.039 1.00 1.70 O ATOM 915 CB ALA A 61 -16.619 -13.020 -0.727 1.00 1.91 C ATOM 0 H ALA A 61 -14.622 -13.743 0.526 1.00 1.55 H new ATOM 0 HA ALA A 61 -15.517 -11.217 -0.369 1.00 1.65 H new ATOM 0 HB1 ALA A 61 -17.501 -12.512 -1.118 1.00 1.91 H new ATOM 0 HB2 ALA A 61 -15.973 -13.315 -1.554 1.00 1.91 H new ATOM 0 HB3 ALA A 61 -16.927 -13.907 -0.173 1.00 1.91 H new ATOM 921 N ASN A 62 -16.571 -12.016 2.511 1.00 1.52 N ATOM 922 CA ASN A 62 -17.381 -11.610 3.657 1.00 1.56 C ATOM 923 C ASN A 62 -16.685 -10.513 4.471 1.00 1.33 C ATOM 924 O ASN A 62 -17.129 -10.165 5.572 1.00 1.40 O ATOM 925 CB ASN A 62 -17.694 -12.816 4.557 1.00 1.82 C ATOM 926 CG ASN A 62 -16.456 -13.415 5.195 1.00 2.72 C ATOM 927 OD1 ASN A 62 -15.792 -14.253 4.601 1.00 3.49 O ATOM 928 ND2 ASN A 62 -16.154 -13.021 6.399 1.00 3.19 N ATOM 0 H ASN A 62 -15.835 -12.684 2.738 1.00 1.52 H new ATOM 0 HA ASN A 62 -18.317 -11.206 3.271 1.00 1.56 H new ATOM 0 HB2 ASN A 62 -18.387 -12.508 5.340 1.00 1.82 H new ATOM 0 HB3 ASN A 62 -18.199 -13.581 3.967 1.00 1.82 H new ATOM 0 HD21 ASN A 62 -15.342 -13.413 6.875 1.00 3.19 H new ATOM 0 HD22 ASN A 62 -16.730 -12.320 6.866 1.00 3.19 H new ATOM 935 N GLU A 63 -15.588 -9.987 3.963 1.00 1.20 N ATOM 936 CA GLU A 63 -14.925 -8.898 4.638 1.00 1.07 C ATOM 937 C GLU A 63 -14.940 -7.691 3.724 1.00 0.90 C ATOM 938 O GLU A 63 -15.060 -7.825 2.500 1.00 0.97 O ATOM 939 CB GLU A 63 -13.480 -9.254 5.068 1.00 1.16 C ATOM 940 CG GLU A 63 -12.465 -9.343 3.944 1.00 1.31 C ATOM 941 CD GLU A 63 -11.087 -9.709 4.430 1.00 1.42 C ATOM 942 OE1 GLU A 63 -10.520 -8.969 5.270 1.00 1.48 O ATOM 943 OE2 GLU A 63 -10.536 -10.731 3.977 1.00 1.89 O ATOM 0 H GLU A 63 -15.145 -10.293 3.097 1.00 1.20 H new ATOM 0 HA GLU A 63 -15.463 -8.680 5.560 1.00 1.07 H new ATOM 0 HB2 GLU A 63 -13.138 -8.506 5.784 1.00 1.16 H new ATOM 0 HB3 GLU A 63 -13.501 -10.210 5.591 1.00 1.16 H new ATOM 0 HG2 GLU A 63 -12.798 -10.084 3.218 1.00 1.31 H new ATOM 0 HG3 GLU A 63 -12.420 -8.386 3.425 1.00 1.31 H new ATOM 950 N THR A 64 -14.852 -6.540 4.297 1.00 0.80 N ATOM 951 CA THR A 64 -14.883 -5.311 3.554 1.00 0.74 C ATOM 952 C THR A 64 -13.501 -4.680 3.492 1.00 0.59 C ATOM 953 O THR A 64 -13.333 -3.557 3.014 1.00 0.61 O ATOM 954 CB THR A 64 -15.891 -4.351 4.207 1.00 0.90 C ATOM 955 OG1 THR A 64 -15.708 -4.368 5.643 1.00 1.30 O ATOM 956 CG2 THR A 64 -17.316 -4.767 3.873 1.00 1.15 C ATOM 0 H THR A 64 -14.755 -6.416 5.305 1.00 0.80 H new ATOM 0 HA THR A 64 -15.195 -5.520 2.531 1.00 0.74 H new ATOM 0 HB THR A 64 -15.720 -3.345 3.823 1.00 0.90 H new ATOM 0 HG1 THR A 64 -16.348 -3.755 6.062 1.00 1.30 H new ATOM 0 HG21 THR A 64 -18.016 -4.077 4.343 1.00 1.15 H new ATOM 0 HG22 THR A 64 -17.457 -4.747 2.792 1.00 1.15 H new ATOM 0 HG23 THR A 64 -17.497 -5.776 4.244 1.00 1.15 H new ATOM 964 N VAL A 65 -12.517 -5.424 3.957 1.00 0.53 N ATOM 965 CA VAL A 65 -11.162 -4.949 4.025 1.00 0.45 C ATOM 966 C VAL A 65 -10.365 -5.493 2.849 1.00 0.42 C ATOM 967 O VAL A 65 -10.482 -6.666 2.503 1.00 0.49 O ATOM 968 CB VAL A 65 -10.480 -5.384 5.353 1.00 0.52 C ATOM 969 CG1 VAL A 65 -9.106 -4.757 5.505 1.00 0.50 C ATOM 970 CG2 VAL A 65 -11.356 -5.061 6.551 1.00 0.61 C ATOM 0 H VAL A 65 -12.642 -6.377 4.298 1.00 0.53 H new ATOM 0 HA VAL A 65 -11.184 -3.860 3.987 1.00 0.45 H new ATOM 0 HB VAL A 65 -10.348 -6.465 5.311 1.00 0.52 H new ATOM 0 HG11 VAL A 65 -8.659 -5.083 6.444 1.00 0.50 H new ATOM 0 HG12 VAL A 65 -8.471 -5.066 4.675 1.00 0.50 H new ATOM 0 HG13 VAL A 65 -9.200 -3.671 5.506 1.00 0.50 H new ATOM 0 HG21 VAL A 65 -10.853 -5.377 7.465 1.00 0.61 H new ATOM 0 HG22 VAL A 65 -11.538 -3.987 6.589 1.00 0.61 H new ATOM 0 HG23 VAL A 65 -12.306 -5.587 6.459 1.00 0.61 H new ATOM 980 N ARG A 66 -9.606 -4.641 2.221 1.00 0.37 N ATOM 981 CA ARG A 66 -8.737 -5.019 1.130 1.00 0.36 C ATOM 982 C ARG A 66 -7.376 -5.306 1.719 1.00 0.34 C ATOM 983 O ARG A 66 -6.941 -4.619 2.655 1.00 0.41 O ATOM 984 CB ARG A 66 -8.617 -3.887 0.116 1.00 0.42 C ATOM 985 CG ARG A 66 -9.925 -3.465 -0.534 1.00 1.13 C ATOM 986 CD ARG A 66 -9.718 -2.256 -1.443 1.00 1.10 C ATOM 987 NE ARG A 66 -8.734 -2.522 -2.502 1.00 0.82 N ATOM 988 CZ ARG A 66 -8.277 -1.630 -3.398 1.00 1.15 C ATOM 989 NH1 ARG A 66 -8.633 -0.341 -3.316 1.00 1.61 N ATOM 990 NH2 ARG A 66 -7.463 -2.031 -4.358 1.00 1.84 N ATOM 0 H ARG A 66 -9.569 -3.648 2.452 1.00 0.37 H new ATOM 0 HA ARG A 66 -9.142 -5.891 0.616 1.00 0.36 H new ATOM 0 HB2 ARG A 66 -8.179 -3.021 0.611 1.00 0.42 H new ATOM 0 HB3 ARG A 66 -7.922 -4.192 -0.666 1.00 0.42 H new ATOM 0 HG2 ARG A 66 -10.332 -4.294 -1.113 1.00 1.13 H new ATOM 0 HG3 ARG A 66 -10.657 -3.224 0.237 1.00 1.13 H new ATOM 0 HD2 ARG A 66 -10.669 -1.976 -1.895 1.00 1.10 H new ATOM 0 HD3 ARG A 66 -9.386 -1.407 -0.846 1.00 1.10 H new ATOM 0 HE ARG A 66 -8.364 -3.471 -2.563 1.00 0.82 H new ATOM 0 HH11 ARG A 66 -9.255 -0.030 -2.570 1.00 1.61 H new ATOM 0 HH12 ARG A 66 -8.282 0.330 -4.000 1.00 1.61 H new ATOM 0 HH21 ARG A 66 -7.186 -3.011 -4.415 1.00 1.84 H new ATOM 0 HH22 ARG A 66 -7.112 -1.361 -5.042 1.00 1.84 H new ATOM 1004 N HIS A 67 -6.712 -6.299 1.205 1.00 0.35 N ATOM 1005 CA HIS A 67 -5.436 -6.718 1.750 1.00 0.39 C ATOM 1006 C HIS A 67 -4.386 -6.699 0.671 1.00 0.35 C ATOM 1007 O HIS A 67 -4.651 -7.094 -0.464 1.00 0.46 O ATOM 1008 CB HIS A 67 -5.528 -8.131 2.350 1.00 0.53 C ATOM 1009 CG HIS A 67 -6.384 -8.268 3.573 1.00 0.69 C ATOM 1010 ND1 HIS A 67 -5.909 -8.717 4.782 1.00 1.08 N ATOM 1011 CD2 HIS A 67 -7.701 -8.065 3.752 1.00 0.72 C ATOM 1012 CE1 HIS A 67 -6.901 -8.787 5.639 1.00 1.16 C ATOM 1013 NE2 HIS A 67 -7.998 -8.391 5.034 1.00 0.90 N ATOM 0 H HIS A 67 -7.029 -6.843 0.403 1.00 0.35 H new ATOM 0 HA HIS A 67 -5.162 -6.022 2.543 1.00 0.39 H new ATOM 0 HB2 HIS A 67 -5.911 -8.806 1.584 1.00 0.53 H new ATOM 0 HB3 HIS A 67 -4.521 -8.467 2.596 1.00 0.53 H new ATOM 0 HD2 HIS A 67 -8.397 -7.707 3.008 1.00 0.72 H new ATOM 0 HE1 HIS A 67 -6.828 -9.114 6.666 1.00 1.16 H new ATOM 0 HE2 HIS A 67 -8.923 -8.338 5.460 1.00 0.90 H new ATOM 1022 N GLY A 68 -3.211 -6.251 1.009 1.00 0.30 N ATOM 1023 CA GLY A 68 -2.156 -6.195 0.053 1.00 0.31 C ATOM 1024 C GLY A 68 -0.853 -5.849 0.695 1.00 0.24 C ATOM 1025 O GLY A 68 -0.789 -5.645 1.914 1.00 0.26 O ATOM 0 H GLY A 68 -2.965 -5.920 1.942 1.00 0.30 H new ATOM 0 HA2 GLY A 68 -2.070 -7.157 -0.452 1.00 0.31 H new ATOM 0 HA3 GLY A 68 -2.394 -5.455 -0.711 1.00 0.31 H new ATOM 1029 N CYS A 69 0.168 -5.763 -0.098 1.00 0.21 N ATOM 1030 CA CYS A 69 1.484 -5.464 0.369 1.00 0.20 C ATOM 1031 C CYS A 69 2.277 -4.720 -0.688 1.00 0.19 C ATOM 1032 O CYS A 69 2.198 -5.037 -1.886 1.00 0.22 O ATOM 1033 CB CYS A 69 2.221 -6.757 0.743 1.00 0.25 C ATOM 1034 SG CYS A 69 4.005 -6.515 1.027 1.00 0.36 S ATOM 0 H CYS A 69 0.109 -5.901 -1.107 1.00 0.21 H new ATOM 0 HA CYS A 69 1.392 -4.830 1.251 1.00 0.20 H new ATOM 0 HB2 CYS A 69 1.771 -7.176 1.643 1.00 0.25 H new ATOM 0 HB3 CYS A 69 2.083 -7.489 -0.053 1.00 0.25 H new ATOM 1039 N LEU A 70 3.011 -3.719 -0.265 1.00 0.20 N ATOM 1040 CA LEU A 70 3.923 -3.049 -1.143 1.00 0.22 C ATOM 1041 C LEU A 70 5.163 -3.918 -1.210 1.00 0.23 C ATOM 1042 O LEU A 70 5.915 -4.031 -0.228 1.00 0.24 O ATOM 1043 CB LEU A 70 4.272 -1.648 -0.633 1.00 0.24 C ATOM 1044 CG LEU A 70 5.173 -0.798 -1.545 1.00 0.25 C ATOM 1045 CD1 LEU A 70 4.520 -0.565 -2.888 1.00 0.26 C ATOM 1046 CD2 LEU A 70 5.497 0.528 -0.893 1.00 0.28 C ATOM 0 H LEU A 70 2.990 -3.354 0.687 1.00 0.20 H new ATOM 0 HA LEU A 70 3.476 -2.911 -2.128 1.00 0.22 H new ATOM 0 HB2 LEU A 70 3.343 -1.103 -0.465 1.00 0.24 H new ATOM 0 HB3 LEU A 70 4.762 -1.748 0.335 1.00 0.24 H new ATOM 0 HG LEU A 70 6.100 -1.350 -1.701 1.00 0.25 H new ATOM 0 HD11 LEU A 70 5.178 0.039 -3.513 1.00 0.26 H new ATOM 0 HD12 LEU A 70 4.336 -1.523 -3.374 1.00 0.26 H new ATOM 0 HD13 LEU A 70 3.574 -0.042 -2.747 1.00 0.26 H new ATOM 0 HD21 LEU A 70 6.135 1.113 -1.555 1.00 0.28 H new ATOM 0 HD22 LEU A 70 4.574 1.075 -0.702 1.00 0.28 H new ATOM 0 HD23 LEU A 70 6.016 0.353 0.049 1.00 0.28 H new ATOM 1058 N ARG A 71 5.331 -4.568 -2.320 1.00 0.30 N ATOM 1059 CA ARG A 71 6.392 -5.512 -2.514 1.00 0.35 C ATOM 1060 C ARG A 71 7.569 -4.831 -3.159 1.00 0.36 C ATOM 1061 O ARG A 71 7.543 -4.533 -4.365 1.00 0.42 O ATOM 1062 CB ARG A 71 5.916 -6.662 -3.411 1.00 0.51 C ATOM 1063 CG ARG A 71 4.824 -7.543 -2.822 1.00 1.20 C ATOM 1064 CD ARG A 71 5.345 -8.398 -1.679 1.00 1.20 C ATOM 1065 NE ARG A 71 4.295 -9.254 -1.121 1.00 1.43 N ATOM 1066 CZ ARG A 71 4.485 -10.329 -0.329 1.00 1.80 C ATOM 1067 NH1 ARG A 71 5.720 -10.783 -0.066 1.00 1.98 N ATOM 1068 NH2 ARG A 71 3.437 -10.968 0.161 1.00 2.68 N ATOM 0 H ARG A 71 4.724 -4.456 -3.132 1.00 0.30 H new ATOM 0 HA ARG A 71 6.689 -5.911 -1.544 1.00 0.35 H new ATOM 0 HB2 ARG A 71 5.553 -6.242 -4.349 1.00 0.51 H new ATOM 0 HB3 ARG A 71 6.774 -7.289 -3.653 1.00 0.51 H new ATOM 0 HG2 ARG A 71 4.006 -6.918 -2.465 1.00 1.20 H new ATOM 0 HG3 ARG A 71 4.416 -8.187 -3.601 1.00 1.20 H new ATOM 0 HD2 ARG A 71 6.169 -9.017 -2.034 1.00 1.20 H new ATOM 0 HD3 ARG A 71 5.744 -7.754 -0.895 1.00 1.20 H new ATOM 0 HE ARG A 71 3.331 -9.015 -1.353 1.00 1.43 H new ATOM 0 HH11 ARG A 71 6.532 -10.314 -0.467 1.00 1.98 H new ATOM 0 HH12 ARG A 71 5.847 -11.597 0.535 1.00 1.98 H new ATOM 0 HH21 ARG A 71 2.495 -10.647 -0.061 1.00 2.68 H new ATOM 0 HH22 ARG A 71 3.571 -11.782 0.761 1.00 2.68 H new ATOM 1082 N LEU A 72 8.582 -4.556 -2.379 1.00 0.37 N ATOM 1083 CA LEU A 72 9.777 -3.996 -2.930 1.00 0.42 C ATOM 1084 C LEU A 72 10.720 -5.126 -3.209 1.00 0.44 C ATOM 1085 O LEU A 72 11.206 -5.806 -2.289 1.00 0.49 O ATOM 1086 CB LEU A 72 10.453 -2.927 -2.037 1.00 0.50 C ATOM 1087 CG LEU A 72 9.600 -1.708 -1.654 1.00 0.70 C ATOM 1088 CD1 LEU A 72 8.712 -1.974 -0.453 1.00 1.23 C ATOM 1089 CD2 LEU A 72 10.455 -0.474 -1.453 1.00 0.61 C ATOM 0 H LEU A 72 8.599 -4.711 -1.371 1.00 0.37 H new ATOM 0 HA LEU A 72 9.506 -3.461 -3.841 1.00 0.42 H new ATOM 0 HB2 LEU A 72 10.786 -3.411 -1.119 1.00 0.50 H new ATOM 0 HB3 LEU A 72 11.346 -2.570 -2.550 1.00 0.50 H new ATOM 0 HG LEU A 72 8.934 -1.516 -2.495 1.00 0.70 H new ATOM 0 HD11 LEU A 72 8.131 -1.080 -0.225 1.00 1.23 H new ATOM 0 HD12 LEU A 72 8.036 -2.799 -0.676 1.00 1.23 H new ATOM 0 HD13 LEU A 72 9.330 -2.234 0.406 1.00 1.23 H new ATOM 0 HD21 LEU A 72 9.819 0.369 -1.183 1.00 0.61 H new ATOM 0 HD22 LEU A 72 11.175 -0.656 -0.655 1.00 0.61 H new ATOM 0 HD23 LEU A 72 10.987 -0.246 -2.376 1.00 0.61 H new ATOM 1101 N ASN A 73 10.903 -5.379 -4.464 1.00 0.56 N ATOM 1102 CA ASN A 73 11.775 -6.439 -4.925 1.00 0.72 C ATOM 1103 C ASN A 73 13.204 -5.992 -4.821 1.00 0.73 C ATOM 1104 O ASN A 73 14.047 -6.682 -4.228 1.00 0.87 O ATOM 1105 CB ASN A 73 11.421 -6.845 -6.355 1.00 0.90 C ATOM 1106 CG ASN A 73 10.019 -7.396 -6.459 1.00 1.41 C ATOM 1107 OD1 ASN A 73 9.490 -7.972 -5.498 1.00 2.18 O ATOM 1108 ND2 ASN A 73 9.412 -7.259 -7.598 1.00 1.84 N ATOM 0 H ASN A 73 10.452 -4.857 -5.215 1.00 0.56 H new ATOM 0 HA ASN A 73 11.639 -7.318 -4.295 1.00 0.72 H new ATOM 0 HB2 ASN A 73 11.520 -5.981 -7.012 1.00 0.90 H new ATOM 0 HB3 ASN A 73 12.131 -7.594 -6.705 1.00 0.90 H new ATOM 0 HD21 ASN A 73 8.470 -7.631 -7.722 1.00 1.84 H new ATOM 0 HD22 ASN A 73 9.876 -6.779 -8.369 1.00 1.84 H new ATOM 1115 N GLN A 74 13.482 -4.834 -5.367 1.00 0.66 N ATOM 1116 CA GLN A 74 14.769 -4.242 -5.228 1.00 0.72 C ATOM 1117 C GLN A 74 14.612 -3.009 -4.356 1.00 0.66 C ATOM 1118 O GLN A 74 14.095 -1.987 -4.813 1.00 0.69 O ATOM 1119 CB GLN A 74 15.366 -3.855 -6.583 1.00 0.86 C ATOM 1120 CG GLN A 74 16.779 -3.296 -6.451 1.00 1.58 C ATOM 1121 CD GLN A 74 17.418 -2.886 -7.758 1.00 2.11 C ATOM 1122 OE1 GLN A 74 17.077 -3.554 -8.839 1.00 2.82 O flip ATOM 1123 NE2 GLN A 74 18.241 -1.974 -7.789 1.00 2.58 N flip ATOM 0 H GLN A 74 12.819 -4.286 -5.916 1.00 0.66 H new ATOM 0 HA GLN A 74 15.453 -4.960 -4.776 1.00 0.72 H new ATOM 0 HB2 GLN A 74 15.382 -4.729 -7.234 1.00 0.86 H new ATOM 0 HB3 GLN A 74 14.727 -3.113 -7.061 1.00 0.86 H new ATOM 0 HG2 GLN A 74 16.753 -2.432 -5.787 1.00 1.58 H new ATOM 0 HG3 GLN A 74 17.409 -4.046 -5.973 1.00 1.58 H new ATOM 0 HE21 GLN A 74 18.483 -1.476 -6.932 1.00 2.58 H new ATOM 0 HE22 GLN A 74 18.682 -1.715 -8.671 1.00 2.58 H new ATOM 1132 N PRO A 75 14.977 -3.104 -3.085 1.00 0.75 N ATOM 1133 CA PRO A 75 14.899 -1.988 -2.176 1.00 0.84 C ATOM 1134 C PRO A 75 16.118 -1.093 -2.348 1.00 0.81 C ATOM 1135 O PRO A 75 17.244 -1.572 -2.371 1.00 0.83 O ATOM 1136 CB PRO A 75 14.926 -2.647 -0.782 1.00 1.06 C ATOM 1137 CG PRO A 75 15.006 -4.123 -1.029 1.00 1.25 C ATOM 1138 CD PRO A 75 15.509 -4.292 -2.421 1.00 0.93 C ATOM 0 HA PRO A 75 14.017 -1.368 -2.338 1.00 0.84 H new ATOM 0 HB2 PRO A 75 15.782 -2.301 -0.202 1.00 1.06 H new ATOM 0 HB3 PRO A 75 14.032 -2.394 -0.212 1.00 1.06 H new ATOM 0 HG2 PRO A 75 15.676 -4.600 -0.314 1.00 1.25 H new ATOM 0 HG3 PRO A 75 14.028 -4.590 -0.910 1.00 1.25 H new ATOM 0 HD2 PRO A 75 16.598 -4.327 -2.459 1.00 0.93 H new ATOM 0 HD3 PRO A 75 15.144 -5.212 -2.877 1.00 0.93 H new ATOM 1146 N THR A 76 15.901 0.171 -2.486 1.00 0.86 N ATOM 1147 CA THR A 76 16.988 1.104 -2.630 1.00 0.90 C ATOM 1148 C THR A 76 17.052 1.945 -1.359 1.00 0.84 C ATOM 1149 O THR A 76 16.055 2.100 -0.666 1.00 0.79 O ATOM 1150 CB THR A 76 16.776 1.997 -3.884 1.00 1.07 C ATOM 1151 OG1 THR A 76 15.489 2.623 -3.843 1.00 1.17 O ATOM 1152 CG2 THR A 76 16.905 1.183 -5.166 1.00 1.22 C ATOM 0 H THR A 76 14.973 0.594 -2.503 1.00 0.86 H new ATOM 0 HA THR A 76 17.930 0.574 -2.770 1.00 0.90 H new ATOM 0 HB THR A 76 17.550 2.764 -3.878 1.00 1.07 H new ATOM 0 HG1 THR A 76 14.841 2.012 -3.435 1.00 1.17 H new ATOM 0 HG21 THR A 76 16.752 1.834 -6.027 1.00 1.22 H new ATOM 0 HG22 THR A 76 17.900 0.741 -5.218 1.00 1.22 H new ATOM 0 HG23 THR A 76 16.156 0.392 -5.171 1.00 1.22 H new ATOM 1160 N HIS A 77 18.225 2.489 -1.031 1.00 0.92 N ATOM 1161 CA HIS A 77 18.375 3.213 0.240 1.00 0.94 C ATOM 1162 C HIS A 77 17.701 4.574 0.206 1.00 0.81 C ATOM 1163 O HIS A 77 17.659 5.260 1.205 1.00 0.85 O ATOM 1164 CB HIS A 77 19.839 3.294 0.774 1.00 1.20 C ATOM 1165 CG HIS A 77 20.741 4.314 0.133 1.00 1.36 C ATOM 1166 ND1 HIS A 77 21.329 5.342 0.832 1.00 1.98 N ATOM 1167 CD2 HIS A 77 21.177 4.433 -1.124 1.00 1.62 C ATOM 1168 CE1 HIS A 77 22.085 6.044 0.022 1.00 2.03 C ATOM 1169 NE2 HIS A 77 22.010 5.513 -1.176 1.00 1.72 N ATOM 0 H HIS A 77 19.066 2.447 -1.607 1.00 0.92 H new ATOM 0 HA HIS A 77 17.848 2.601 0.972 1.00 0.94 H new ATOM 0 HB2 HIS A 77 19.799 3.500 1.844 1.00 1.20 H new ATOM 0 HB3 HIS A 77 20.298 2.313 0.656 1.00 1.20 H new ATOM 0 HD2 HIS A 77 20.917 3.790 -1.951 1.00 1.62 H new ATOM 0 HE1 HIS A 77 22.669 6.911 0.294 1.00 2.03 H new ATOM 0 HE2 HIS A 77 22.494 5.851 -2.008 1.00 1.72 H new ATOM 1178 N VAL A 78 17.187 4.958 -0.959 1.00 0.83 N ATOM 1179 CA VAL A 78 16.405 6.178 -1.061 1.00 0.92 C ATOM 1180 C VAL A 78 14.971 5.923 -0.618 1.00 0.90 C ATOM 1181 O VAL A 78 14.186 6.848 -0.461 1.00 1.08 O ATOM 1182 CB VAL A 78 16.405 6.822 -2.467 1.00 1.15 C ATOM 1183 CG1 VAL A 78 17.752 7.403 -2.784 1.00 1.33 C ATOM 1184 CG2 VAL A 78 15.995 5.825 -3.536 1.00 1.14 C ATOM 0 H VAL A 78 17.298 4.446 -1.834 1.00 0.83 H new ATOM 0 HA VAL A 78 16.893 6.893 -0.398 1.00 0.92 H new ATOM 0 HB VAL A 78 15.669 7.626 -2.460 1.00 1.15 H new ATOM 0 HG11 VAL A 78 17.730 7.851 -3.777 1.00 1.33 H new ATOM 0 HG12 VAL A 78 18.002 8.166 -2.047 1.00 1.33 H new ATOM 0 HG13 VAL A 78 18.504 6.614 -2.758 1.00 1.33 H new ATOM 0 HG21 VAL A 78 16.006 6.312 -4.511 1.00 1.14 H new ATOM 0 HG22 VAL A 78 16.694 4.988 -3.540 1.00 1.14 H new ATOM 0 HG23 VAL A 78 14.991 5.458 -3.325 1.00 1.14 H new ATOM 1194 N ASN A 79 14.643 4.641 -0.436 1.00 0.78 N ATOM 1195 CA ASN A 79 13.321 4.190 0.027 1.00 0.90 C ATOM 1196 C ASN A 79 13.263 4.259 1.536 1.00 0.78 C ATOM 1197 O ASN A 79 12.255 3.954 2.155 1.00 0.96 O ATOM 1198 CB ASN A 79 13.058 2.741 -0.422 1.00 1.13 C ATOM 1199 CG ASN A 79 12.931 2.574 -1.925 1.00 1.40 C ATOM 1200 OD1 ASN A 79 13.355 1.552 -2.491 1.00 2.19 O ATOM 1201 ND2 ASN A 79 12.314 3.526 -2.577 1.00 1.22 N ATOM 0 H ASN A 79 15.294 3.875 -0.607 1.00 0.78 H new ATOM 0 HA ASN A 79 12.560 4.840 -0.406 1.00 0.90 H new ATOM 0 HB2 ASN A 79 13.869 2.108 -0.064 1.00 1.13 H new ATOM 0 HB3 ASN A 79 12.143 2.385 0.051 1.00 1.13 H new ATOM 0 HD21 ASN A 79 12.168 3.443 -3.583 1.00 1.22 H new ATOM 0 HD22 ASN A 79 11.979 4.351 -2.079 1.00 1.22 H new ATOM 1208 N ASN A 80 14.363 4.656 2.110 1.00 0.64 N ATOM 1209 CA ASN A 80 14.502 4.790 3.534 1.00 0.59 C ATOM 1210 C ASN A 80 13.848 6.113 3.946 1.00 0.56 C ATOM 1211 O ASN A 80 14.522 7.152 4.057 1.00 0.88 O ATOM 1212 CB ASN A 80 16.001 4.790 3.871 1.00 0.72 C ATOM 1213 CG ASN A 80 16.320 4.651 5.341 1.00 1.05 C ATOM 1214 OD1 ASN A 80 15.555 5.048 6.209 1.00 1.96 O ATOM 1215 ND2 ASN A 80 17.465 4.086 5.629 1.00 1.43 N ATOM 0 H ASN A 80 15.206 4.901 1.591 1.00 0.64 H new ATOM 0 HA ASN A 80 14.021 3.971 4.069 1.00 0.59 H new ATOM 0 HB2 ASN A 80 16.480 3.974 3.331 1.00 0.72 H new ATOM 0 HB3 ASN A 80 16.442 5.717 3.504 1.00 0.72 H new ATOM 0 HD21 ASN A 80 17.743 3.965 6.603 1.00 1.43 H new ATOM 0 HD22 ASN A 80 18.079 3.766 4.880 1.00 1.43 H new ATOM 1222 N GLY A 81 12.546 6.080 4.122 1.00 0.46 N ATOM 1223 CA GLY A 81 11.801 7.265 4.445 1.00 0.49 C ATOM 1224 C GLY A 81 10.389 6.941 4.874 1.00 0.43 C ATOM 1225 O GLY A 81 10.126 5.844 5.388 1.00 0.40 O ATOM 0 H GLY A 81 11.981 5.234 4.045 1.00 0.46 H new ATOM 0 HA2 GLY A 81 12.308 7.807 5.243 1.00 0.49 H new ATOM 0 HA3 GLY A 81 11.775 7.925 3.578 1.00 0.49 H new ATOM 1229 N ASN A 82 9.473 7.851 4.626 1.00 0.45 N ATOM 1230 CA ASN A 82 8.107 7.698 5.090 1.00 0.44 C ATOM 1231 C ASN A 82 7.162 7.384 3.942 1.00 0.37 C ATOM 1232 O ASN A 82 7.088 8.135 2.961 1.00 0.46 O ATOM 1233 CB ASN A 82 7.619 8.967 5.800 1.00 0.56 C ATOM 1234 CG ASN A 82 6.211 8.813 6.371 1.00 1.27 C ATOM 1235 OD1 ASN A 82 5.212 9.048 5.691 1.00 2.23 O ATOM 1236 ND2 ASN A 82 6.126 8.448 7.622 1.00 1.65 N ATOM 0 H ASN A 82 9.648 8.709 4.103 1.00 0.45 H new ATOM 0 HA ASN A 82 8.105 6.865 5.793 1.00 0.44 H new ATOM 0 HB2 ASN A 82 8.309 9.217 6.606 1.00 0.56 H new ATOM 0 HB3 ASN A 82 7.634 9.801 5.098 1.00 0.56 H new ATOM 0 HD21 ASN A 82 5.212 8.350 8.064 1.00 1.65 H new ATOM 0 HD22 ASN A 82 6.974 8.261 8.157 1.00 1.65 H new ATOM 1243 N TYR A 83 6.453 6.293 4.068 1.00 0.29 N ATOM 1244 CA TYR A 83 5.462 5.887 3.102 1.00 0.27 C ATOM 1245 C TYR A 83 4.092 6.264 3.623 1.00 0.28 C ATOM 1246 O TYR A 83 3.645 5.747 4.645 1.00 0.47 O ATOM 1247 CB TYR A 83 5.503 4.372 2.888 1.00 0.34 C ATOM 1248 CG TYR A 83 6.767 3.847 2.268 1.00 0.38 C ATOM 1249 CD1 TYR A 83 6.824 3.505 0.924 1.00 0.60 C ATOM 1250 CD2 TYR A 83 7.913 3.712 3.027 1.00 0.49 C ATOM 1251 CE1 TYR A 83 7.988 3.045 0.362 1.00 0.69 C ATOM 1252 CE2 TYR A 83 9.079 3.252 2.470 1.00 0.55 C ATOM 1253 CZ TYR A 83 9.065 2.842 1.113 1.00 0.60 C ATOM 1254 OH TYR A 83 10.277 2.474 0.601 1.00 0.69 O ATOM 0 H TYR A 83 6.548 5.651 4.855 1.00 0.29 H new ATOM 0 HA TYR A 83 5.669 6.385 2.155 1.00 0.27 H new ATOM 0 HB2 TYR A 83 5.358 3.881 3.850 1.00 0.34 H new ATOM 0 HB3 TYR A 83 4.662 4.088 2.256 1.00 0.34 H new ATOM 0 HD1 TYR A 83 5.940 3.602 0.312 1.00 0.60 H new ATOM 0 HD2 TYR A 83 7.891 3.973 4.075 1.00 0.49 H new ATOM 0 HE1 TYR A 83 8.029 2.846 -0.699 1.00 0.69 H new ATOM 0 HE2 TYR A 83 9.987 3.203 3.052 1.00 0.55 H new ATOM 0 HH TYR A 83 10.742 1.897 1.243 1.00 0.69 H new ATOM 1264 N THR A 84 3.461 7.169 2.972 1.00 0.22 N ATOM 1265 CA THR A 84 2.146 7.585 3.327 1.00 0.23 C ATOM 1266 C THR A 84 1.166 6.951 2.333 1.00 0.22 C ATOM 1267 O THR A 84 1.302 7.134 1.123 1.00 0.26 O ATOM 1268 CB THR A 84 2.054 9.116 3.240 1.00 0.27 C ATOM 1269 OG1 THR A 84 3.176 9.701 3.931 1.00 0.34 O ATOM 1270 CG2 THR A 84 0.757 9.626 3.852 1.00 0.33 C ATOM 0 H THR A 84 3.846 7.654 2.162 1.00 0.22 H new ATOM 0 HA THR A 84 1.907 7.275 4.344 1.00 0.23 H new ATOM 0 HB THR A 84 2.070 9.403 2.189 1.00 0.27 H new ATOM 0 HG1 THR A 84 3.540 9.054 4.571 1.00 0.34 H new ATOM 0 HG21 THR A 84 0.721 10.713 3.775 1.00 0.33 H new ATOM 0 HG22 THR A 84 -0.091 9.196 3.318 1.00 0.33 H new ATOM 0 HG23 THR A 84 0.711 9.335 4.901 1.00 0.33 H new ATOM 1278 N LEU A 85 0.229 6.193 2.825 1.00 0.20 N ATOM 1279 CA LEU A 85 -0.727 5.555 1.968 1.00 0.19 C ATOM 1280 C LEU A 85 -2.016 6.340 1.969 1.00 0.18 C ATOM 1281 O LEU A 85 -2.620 6.568 3.029 1.00 0.19 O ATOM 1282 CB LEU A 85 -0.979 4.098 2.386 1.00 0.20 C ATOM 1283 CG LEU A 85 -1.941 3.299 1.497 1.00 0.20 C ATOM 1284 CD1 LEU A 85 -1.421 3.244 0.092 1.00 0.21 C ATOM 1285 CD2 LEU A 85 -2.122 1.899 2.026 1.00 0.22 C ATOM 0 H LEU A 85 0.107 6.001 3.819 1.00 0.20 H new ATOM 0 HA LEU A 85 -0.319 5.535 0.957 1.00 0.19 H new ATOM 0 HB2 LEU A 85 -0.022 3.577 2.411 1.00 0.20 H new ATOM 0 HB3 LEU A 85 -1.370 4.095 3.404 1.00 0.20 H new ATOM 0 HG LEU A 85 -2.908 3.802 1.505 1.00 0.20 H new ATOM 0 HD11 LEU A 85 -2.112 2.674 -0.530 1.00 0.21 H new ATOM 0 HD12 LEU A 85 -1.329 4.256 -0.302 1.00 0.21 H new ATOM 0 HD13 LEU A 85 -0.444 2.761 0.084 1.00 0.21 H new ATOM 0 HD21 LEU A 85 -2.808 1.352 1.380 1.00 0.22 H new ATOM 0 HD22 LEU A 85 -1.158 1.390 2.046 1.00 0.22 H new ATOM 0 HD23 LEU A 85 -2.531 1.942 3.036 1.00 0.22 H new ATOM 1297 N LEU A 86 -2.386 6.794 0.808 1.00 0.20 N ATOM 1298 CA LEU A 86 -3.603 7.527 0.605 1.00 0.22 C ATOM 1299 C LEU A 86 -4.601 6.616 -0.061 1.00 0.22 C ATOM 1300 O LEU A 86 -4.241 5.871 -0.976 1.00 0.27 O ATOM 1301 CB LEU A 86 -3.393 8.767 -0.312 1.00 0.28 C ATOM 1302 CG LEU A 86 -2.505 9.934 0.186 1.00 0.32 C ATOM 1303 CD1 LEU A 86 -2.991 10.474 1.506 1.00 0.36 C ATOM 1304 CD2 LEU A 86 -1.036 9.557 0.254 1.00 0.32 C ATOM 0 H LEU A 86 -1.839 6.663 -0.043 1.00 0.20 H new ATOM 0 HA LEU A 86 -3.953 7.875 1.577 1.00 0.22 H new ATOM 0 HB2 LEU A 86 -2.971 8.412 -1.252 1.00 0.28 H new ATOM 0 HB3 LEU A 86 -4.377 9.177 -0.539 1.00 0.28 H new ATOM 0 HG LEU A 86 -2.594 10.729 -0.554 1.00 0.32 H new ATOM 0 HD11 LEU A 86 -2.344 11.291 1.825 1.00 0.36 H new ATOM 0 HD12 LEU A 86 -4.012 10.841 1.396 1.00 0.36 H new ATOM 0 HD13 LEU A 86 -2.969 9.681 2.254 1.00 0.36 H new ATOM 0 HD21 LEU A 86 -0.458 10.410 0.609 1.00 0.32 H new ATOM 0 HD22 LEU A 86 -0.907 8.720 0.940 1.00 0.32 H new ATOM 0 HD23 LEU A 86 -0.688 9.270 -0.738 1.00 0.32 H new ATOM 1316 N ALA A 87 -5.815 6.648 0.405 1.00 0.21 N ATOM 1317 CA ALA A 87 -6.890 5.911 -0.209 1.00 0.23 C ATOM 1318 C ALA A 87 -8.027 6.867 -0.421 1.00 0.29 C ATOM 1319 O ALA A 87 -8.511 7.460 0.538 1.00 0.31 O ATOM 1320 CB ALA A 87 -7.329 4.766 0.690 1.00 0.24 C ATOM 0 H ALA A 87 -6.093 7.187 1.225 1.00 0.21 H new ATOM 0 HA ALA A 87 -6.565 5.483 -1.157 1.00 0.23 H new ATOM 0 HB1 ALA A 87 -8.142 4.219 0.212 1.00 0.24 H new ATOM 0 HB2 ALA A 87 -6.488 4.093 0.859 1.00 0.24 H new ATOM 0 HB3 ALA A 87 -7.672 5.164 1.645 1.00 0.24 H new ATOM 1326 N ALA A 88 -8.443 7.039 -1.644 1.00 0.36 N ATOM 1327 CA ALA A 88 -9.495 7.983 -1.928 1.00 0.45 C ATOM 1328 C ALA A 88 -10.687 7.337 -2.602 1.00 0.37 C ATOM 1329 O ALA A 88 -10.591 6.822 -3.720 1.00 0.37 O ATOM 1330 CB ALA A 88 -8.965 9.139 -2.767 1.00 0.61 C ATOM 0 H ALA A 88 -8.076 6.544 -2.457 1.00 0.36 H new ATOM 0 HA ALA A 88 -9.843 8.370 -0.970 1.00 0.45 H new ATOM 0 HB1 ALA A 88 -9.773 9.841 -2.971 1.00 0.61 H new ATOM 0 HB2 ALA A 88 -8.170 9.649 -2.223 1.00 0.61 H new ATOM 0 HB3 ALA A 88 -8.572 8.755 -3.708 1.00 0.61 H new ATOM 1336 N ASN A 89 -11.786 7.323 -1.909 1.00 0.49 N ATOM 1337 CA ASN A 89 -13.049 6.893 -2.472 1.00 0.58 C ATOM 1338 C ASN A 89 -14.040 8.005 -2.206 1.00 0.57 C ATOM 1339 O ASN A 89 -13.734 8.854 -1.375 1.00 0.55 O ATOM 1340 CB ASN A 89 -13.540 5.503 -1.929 1.00 0.86 C ATOM 1341 CG ASN A 89 -13.804 5.386 -0.428 1.00 0.59 C ATOM 1342 OD1 ASN A 89 -14.118 6.354 0.268 1.00 0.71 O ATOM 1343 ND2 ASN A 89 -13.755 4.167 0.060 1.00 1.18 N ATOM 0 H ASN A 89 -11.841 7.609 -0.932 1.00 0.49 H new ATOM 0 HA ASN A 89 -12.937 6.720 -3.542 1.00 0.58 H new ATOM 0 HB2 ASN A 89 -14.459 5.242 -2.454 1.00 0.86 H new ATOM 0 HB3 ASN A 89 -12.795 4.754 -2.199 1.00 0.86 H new ATOM 0 HD21 ASN A 89 -13.980 4.001 1.041 1.00 1.18 H new ATOM 0 HD22 ASN A 89 -13.492 3.387 -0.542 1.00 1.18 H new ATOM 1350 N PRO A 90 -15.194 8.074 -2.918 1.00 0.64 N ATOM 1351 CA PRO A 90 -16.199 9.149 -2.759 1.00 0.68 C ATOM 1352 C PRO A 90 -16.470 9.590 -1.306 1.00 0.56 C ATOM 1353 O PRO A 90 -16.603 10.782 -1.039 1.00 0.63 O ATOM 1354 CB PRO A 90 -17.478 8.547 -3.378 1.00 0.81 C ATOM 1355 CG PRO A 90 -17.097 7.178 -3.871 1.00 1.00 C ATOM 1356 CD PRO A 90 -15.605 7.172 -4.001 1.00 0.74 C ATOM 0 HA PRO A 90 -15.841 10.062 -3.235 1.00 0.68 H new ATOM 0 HB2 PRO A 90 -18.278 8.487 -2.640 1.00 0.81 H new ATOM 0 HB3 PRO A 90 -17.845 9.168 -4.195 1.00 0.81 H new ATOM 0 HG2 PRO A 90 -17.429 6.409 -3.174 1.00 1.00 H new ATOM 0 HG3 PRO A 90 -17.571 6.965 -4.829 1.00 1.00 H new ATOM 0 HD2 PRO A 90 -15.190 6.172 -3.877 1.00 0.74 H new ATOM 0 HD3 PRO A 90 -15.280 7.533 -4.977 1.00 0.74 H new ATOM 1364 N CYS A 91 -16.494 8.643 -0.379 1.00 0.50 N ATOM 1365 CA CYS A 91 -16.806 8.954 1.004 1.00 0.50 C ATOM 1366 C CYS A 91 -15.706 9.784 1.682 1.00 0.46 C ATOM 1367 O CYS A 91 -16.006 10.653 2.517 1.00 0.61 O ATOM 1368 CB CYS A 91 -17.097 7.692 1.819 1.00 0.61 C ATOM 1369 SG CYS A 91 -17.603 8.043 3.541 1.00 1.10 S ATOM 0 H CYS A 91 -16.302 7.658 -0.561 1.00 0.50 H new ATOM 0 HA CYS A 91 -17.710 9.562 0.978 1.00 0.50 H new ATOM 0 HB2 CYS A 91 -17.884 7.123 1.325 1.00 0.61 H new ATOM 0 HB3 CYS A 91 -16.207 7.062 1.830 1.00 0.61 H new ATOM 1374 N GLY A 92 -14.457 9.551 1.325 1.00 0.46 N ATOM 1375 CA GLY A 92 -13.389 10.292 1.937 1.00 0.58 C ATOM 1376 C GLY A 92 -12.030 9.770 1.551 1.00 0.49 C ATOM 1377 O GLY A 92 -11.916 8.713 0.904 1.00 0.59 O ATOM 0 H GLY A 92 -14.168 8.866 0.627 1.00 0.46 H new ATOM 0 HA2 GLY A 92 -13.467 11.340 1.649 1.00 0.58 H new ATOM 0 HA3 GLY A 92 -13.496 10.250 3.021 1.00 0.58 H new ATOM 1381 N GLN A 93 -11.017 10.504 1.920 1.00 0.46 N ATOM 1382 CA GLN A 93 -9.657 10.143 1.661 1.00 0.42 C ATOM 1383 C GLN A 93 -8.993 9.788 2.979 1.00 0.41 C ATOM 1384 O GLN A 93 -9.051 10.559 3.944 1.00 0.56 O ATOM 1385 CB GLN A 93 -8.913 11.305 0.992 1.00 0.53 C ATOM 1386 CG GLN A 93 -7.481 10.976 0.572 1.00 0.58 C ATOM 1387 CD GLN A 93 -6.752 12.172 -0.014 1.00 0.92 C ATOM 1388 OE1 GLN A 93 -7.000 13.314 0.359 1.00 1.57 O ATOM 1389 NE2 GLN A 93 -5.859 11.922 -0.933 1.00 1.33 N ATOM 0 H GLN A 93 -11.119 11.388 2.419 1.00 0.46 H new ATOM 0 HA GLN A 93 -9.626 9.288 0.986 1.00 0.42 H new ATOM 0 HB2 GLN A 93 -9.474 11.622 0.112 1.00 0.53 H new ATOM 0 HB3 GLN A 93 -8.893 12.151 1.679 1.00 0.53 H new ATOM 0 HG2 GLN A 93 -6.929 10.607 1.437 1.00 0.58 H new ATOM 0 HG3 GLN A 93 -7.498 10.171 -0.162 1.00 0.58 H new ATOM 0 HE21 GLN A 93 -5.678 10.960 -1.220 1.00 1.33 H new ATOM 0 HE22 GLN A 93 -5.343 12.689 -1.364 1.00 1.33 H new ATOM 1398 N ALA A 94 -8.403 8.637 3.026 1.00 0.30 N ATOM 1399 CA ALA A 94 -7.715 8.174 4.203 1.00 0.33 C ATOM 1400 C ALA A 94 -6.230 8.331 4.010 1.00 0.31 C ATOM 1401 O ALA A 94 -5.747 8.343 2.867 1.00 0.30 O ATOM 1402 CB ALA A 94 -8.037 6.726 4.456 1.00 0.37 C ATOM 0 H ALA A 94 -8.381 7.981 2.245 1.00 0.30 H new ATOM 0 HA ALA A 94 -8.039 8.765 5.060 1.00 0.33 H new ATOM 0 HB1 ALA A 94 -7.511 6.387 5.348 1.00 0.37 H new ATOM 0 HB2 ALA A 94 -9.111 6.612 4.603 1.00 0.37 H new ATOM 0 HB3 ALA A 94 -7.722 6.128 3.600 1.00 0.37 H new ATOM 1408 N SER A 95 -5.516 8.440 5.099 1.00 0.36 N ATOM 1409 CA SER A 95 -4.100 8.606 5.075 1.00 0.37 C ATOM 1410 C SER A 95 -3.465 8.010 6.332 1.00 0.38 C ATOM 1411 O SER A 95 -3.910 8.271 7.455 1.00 0.57 O ATOM 1412 CB SER A 95 -3.766 10.098 4.937 1.00 0.43 C ATOM 1413 OG SER A 95 -4.471 10.879 5.908 1.00 0.50 O ATOM 0 H SER A 95 -5.914 8.415 6.038 1.00 0.36 H new ATOM 0 HA SER A 95 -3.688 8.073 4.218 1.00 0.37 H new ATOM 0 HB2 SER A 95 -2.693 10.246 5.058 1.00 0.43 H new ATOM 0 HB3 SER A 95 -4.024 10.440 3.935 1.00 0.43 H new ATOM 0 HG SER A 95 -4.422 10.437 6.781 1.00 0.50 H new ATOM 1419 N ALA A 96 -2.482 7.185 6.133 1.00 0.27 N ATOM 1420 CA ALA A 96 -1.712 6.603 7.209 1.00 0.27 C ATOM 1421 C ALA A 96 -0.287 6.555 6.739 1.00 0.23 C ATOM 1422 O ALA A 96 -0.049 6.614 5.527 1.00 0.26 O ATOM 1423 CB ALA A 96 -2.214 5.206 7.542 1.00 0.30 C ATOM 0 H ALA A 96 -2.181 6.887 5.205 1.00 0.27 H new ATOM 0 HA ALA A 96 -1.806 7.197 8.118 1.00 0.27 H new ATOM 0 HB1 ALA A 96 -1.619 4.789 8.354 1.00 0.30 H new ATOM 0 HB2 ALA A 96 -3.259 5.258 7.848 1.00 0.30 H new ATOM 0 HB3 ALA A 96 -2.125 4.568 6.663 1.00 0.30 H new ATOM 1429 N SER A 97 0.651 6.453 7.628 1.00 0.26 N ATOM 1430 CA SER A 97 2.020 6.457 7.227 1.00 0.28 C ATOM 1431 C SER A 97 2.847 5.404 7.953 1.00 0.25 C ATOM 1432 O SER A 97 2.574 5.047 9.106 1.00 0.38 O ATOM 1433 CB SER A 97 2.599 7.863 7.388 1.00 0.41 C ATOM 1434 OG SER A 97 2.292 8.396 8.666 1.00 1.26 O ATOM 0 H SER A 97 0.494 6.366 8.632 1.00 0.26 H new ATOM 0 HA SER A 97 2.066 6.182 6.173 1.00 0.28 H new ATOM 0 HB2 SER A 97 3.680 7.833 7.253 1.00 0.41 H new ATOM 0 HB3 SER A 97 2.199 8.516 6.612 1.00 0.41 H new ATOM 0 HG SER A 97 2.674 9.295 8.746 1.00 1.26 H new ATOM 1440 N ILE A 98 3.815 4.880 7.256 1.00 0.25 N ATOM 1441 CA ILE A 98 4.725 3.919 7.790 1.00 0.28 C ATOM 1442 C ILE A 98 6.129 4.321 7.359 1.00 0.28 C ATOM 1443 O ILE A 98 6.397 4.520 6.175 1.00 0.30 O ATOM 1444 CB ILE A 98 4.324 2.439 7.347 1.00 0.36 C ATOM 1445 CG1 ILE A 98 5.220 1.326 7.980 1.00 0.72 C ATOM 1446 CG2 ILE A 98 4.263 2.283 5.825 1.00 0.39 C ATOM 1447 CD1 ILE A 98 6.607 1.155 7.383 1.00 0.37 C ATOM 0 H ILE A 98 3.993 5.117 6.280 1.00 0.25 H new ATOM 0 HA ILE A 98 4.686 3.907 8.879 1.00 0.28 H new ATOM 0 HB ILE A 98 3.320 2.294 7.745 1.00 0.36 H new ATOM 0 HG12 ILE A 98 5.330 1.539 9.043 1.00 0.72 H new ATOM 0 HG13 ILE A 98 4.693 0.375 7.898 1.00 0.72 H new ATOM 0 HG21 ILE A 98 3.986 1.259 5.575 1.00 0.39 H new ATOM 0 HG22 ILE A 98 3.520 2.969 5.418 1.00 0.39 H new ATOM 0 HG23 ILE A 98 5.239 2.510 5.397 1.00 0.39 H new ATOM 0 HD11 ILE A 98 7.132 0.355 7.905 1.00 0.37 H new ATOM 0 HD12 ILE A 98 6.520 0.903 6.326 1.00 0.37 H new ATOM 0 HD13 ILE A 98 7.166 2.085 7.489 1.00 0.37 H new ATOM 1459 N MET A 99 6.992 4.528 8.309 1.00 0.34 N ATOM 1460 CA MET A 99 8.347 4.887 7.996 1.00 0.41 C ATOM 1461 C MET A 99 9.218 3.664 8.120 1.00 0.40 C ATOM 1462 O MET A 99 9.241 3.022 9.168 1.00 0.51 O ATOM 1463 CB MET A 99 8.847 6.015 8.897 1.00 0.59 C ATOM 1464 CG MET A 99 10.199 6.540 8.470 1.00 0.85 C ATOM 1465 SD MET A 99 10.730 7.990 9.378 1.00 1.25 S ATOM 1466 CE MET A 99 12.141 8.434 8.378 1.00 1.18 C ATOM 0 H MET A 99 6.785 4.455 9.305 1.00 0.34 H new ATOM 0 HA MET A 99 8.391 5.259 6.972 1.00 0.41 H new ATOM 0 HB2 MET A 99 8.124 6.831 8.887 1.00 0.59 H new ATOM 0 HB3 MET A 99 8.908 5.655 9.924 1.00 0.59 H new ATOM 0 HG2 MET A 99 10.941 5.752 8.596 1.00 0.85 H new ATOM 0 HG3 MET A 99 10.166 6.780 7.407 1.00 0.85 H new ATOM 0 HE1 MET A 99 12.633 9.306 8.810 1.00 1.18 H new ATOM 0 HE2 MET A 99 12.842 7.600 8.347 1.00 1.18 H new ATOM 0 HE3 MET A 99 11.811 8.668 7.366 1.00 1.18 H new ATOM 1476 N ALA A 100 9.905 3.331 7.068 1.00 0.42 N ATOM 1477 CA ALA A 100 10.717 2.145 7.044 1.00 0.48 C ATOM 1478 C ALA A 100 12.106 2.477 6.578 1.00 0.48 C ATOM 1479 O ALA A 100 12.290 3.313 5.686 1.00 0.57 O ATOM 1480 CB ALA A 100 10.090 1.091 6.146 1.00 0.58 C ATOM 0 H ALA A 100 9.920 3.871 6.203 1.00 0.42 H new ATOM 0 HA ALA A 100 10.777 1.742 8.055 1.00 0.48 H new ATOM 0 HB1 ALA A 100 10.717 0.199 6.139 1.00 0.58 H new ATOM 0 HB2 ALA A 100 9.100 0.835 6.522 1.00 0.58 H new ATOM 0 HB3 ALA A 100 10.003 1.482 5.132 1.00 0.58 H new ATOM 1486 N ALA A 101 13.071 1.854 7.189 1.00 0.56 N ATOM 1487 CA ALA A 101 14.447 2.059 6.847 1.00 0.65 C ATOM 1488 C ALA A 101 14.908 0.962 5.901 1.00 0.66 C ATOM 1489 O ALA A 101 14.512 -0.203 6.048 1.00 0.77 O ATOM 1490 CB ALA A 101 15.296 2.082 8.107 1.00 0.84 C ATOM 0 H ALA A 101 12.924 1.184 7.944 1.00 0.56 H new ATOM 0 HA ALA A 101 14.558 3.019 6.343 1.00 0.65 H new ATOM 0 HB1 ALA A 101 16.341 2.238 7.839 1.00 0.84 H new ATOM 0 HB2 ALA A 101 14.963 2.892 8.756 1.00 0.84 H new ATOM 0 HB3 ALA A 101 15.194 1.132 8.632 1.00 0.84 H new ATOM 1496 N PHE A 102 15.741 1.317 4.948 1.00 0.75 N ATOM 1497 CA PHE A 102 16.240 0.390 3.962 1.00 0.87 C ATOM 1498 C PHE A 102 17.699 0.662 3.713 1.00 1.20 C ATOM 1499 O PHE A 102 18.074 1.768 3.323 1.00 2.05 O ATOM 1500 CB PHE A 102 15.469 0.495 2.632 1.00 0.97 C ATOM 1501 CG PHE A 102 14.036 0.049 2.698 1.00 1.69 C ATOM 1502 CD1 PHE A 102 13.702 -1.282 2.572 1.00 2.20 C ATOM 1503 CD2 PHE A 102 13.028 0.970 2.887 1.00 2.45 C ATOM 1504 CE1 PHE A 102 12.388 -1.689 2.634 1.00 3.25 C ATOM 1505 CE2 PHE A 102 11.712 0.567 2.950 1.00 3.51 C ATOM 1506 CZ PHE A 102 11.397 -0.784 2.814 1.00 3.86 C ATOM 0 H PHE A 102 16.093 2.268 4.836 1.00 0.75 H new ATOM 0 HA PHE A 102 16.101 -0.618 4.352 1.00 0.87 H new ATOM 0 HB2 PHE A 102 15.497 1.530 2.293 1.00 0.97 H new ATOM 0 HB3 PHE A 102 15.986 -0.101 1.880 1.00 0.97 H new ATOM 0 HD1 PHE A 102 14.481 -2.015 2.423 1.00 2.20 H new ATOM 0 HD2 PHE A 102 13.272 2.017 2.987 1.00 2.45 H new ATOM 0 HE1 PHE A 102 12.146 -2.737 2.538 1.00 3.25 H new ATOM 0 HE2 PHE A 102 10.928 1.294 3.104 1.00 3.51 H new ATOM 0 HZ PHE A 102 10.367 -1.107 2.852 1.00 3.86 H new