USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 509 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 77 ASN : amide:sc= 0.0684 X(o=-0.56,f=-0.67) USER MOD Set 1.2: A 80 SER OG : rot -30:sc= -0.627 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.151 X(o=-0.15,f=-0.023) USER MOD Single : A 13 ASN : amide:sc= -0.131 K(o=-0.13,f=-1.5!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 44:sc= 0.228 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -75:sc= 1.27 USER MOD Single : A 38 SER OG : rot -99:sc= 0.214 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc=-0.00249 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.108 K(o=-0.11,f=-2!) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.0825 USER MOD Single : A 58 TYR OH : rot 180:sc= -0.948 USER MOD Single : A 66 TYR OH : rot 180:sc= -1.01 USER MOD Single : A 67 SER OG : rot 69:sc= 0.578 USER MOD Single : A 68 SER OG : rot 104:sc= 0.0043 USER MOD Single : A 71 SER OG : rot -48:sc= 0.272 USER MOD Single : A 78 SER OG : rot 180:sc= -0.483 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -6.79! C(o=-6.8!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 52 N GLU A 5 -6.788 3.249 -8.224 1.00 35.15 N ATOM 53 CA GLU A 5 -8.201 2.917 -8.077 1.00 42.11 C ATOM 54 C GLU A 5 -8.916 2.976 -9.424 1.00 11.22 C ATOM 55 O GLU A 5 -9.236 4.055 -9.923 1.00 3.21 O ATOM 56 CB GLU A 5 -8.872 3.873 -7.088 1.00 72.44 C ATOM 57 CG GLU A 5 -8.114 4.027 -5.781 1.00 3.31 C ATOM 58 CD GLU A 5 -8.967 4.623 -4.678 1.00 52.02 C ATOM 59 OE1 GLU A 5 -10.200 4.706 -4.862 1.00 42.13 O ATOM 60 OE2 GLU A 5 -8.403 5.006 -3.632 1.00 54.21 O ATOM 0 HA GLU A 5 -8.271 1.900 -7.692 1.00 42.11 H new ATOM 0 HB2 GLU A 5 -8.976 4.852 -7.556 1.00 72.44 H new ATOM 0 HB3 GLU A 5 -9.879 3.514 -6.874 1.00 72.44 H new ATOM 0 HG2 GLU A 5 -7.745 3.052 -5.463 1.00 3.31 H new ATOM 0 HG3 GLU A 5 -7.242 4.661 -5.944 1.00 3.31 H new ATOM 67 N VAL A 6 -9.164 1.808 -10.007 1.00 62.24 N ATOM 68 CA VAL A 6 -9.841 1.725 -11.296 1.00 14.22 C ATOM 69 C VAL A 6 -11.201 1.050 -11.159 1.00 73.12 C ATOM 70 O VAL A 6 -11.294 -0.177 -11.112 1.00 32.12 O ATOM 71 CB VAL A 6 -8.997 0.951 -12.325 1.00 71.04 C ATOM 72 CG1 VAL A 6 -9.828 0.616 -13.554 1.00 54.24 C ATOM 73 CG2 VAL A 6 -7.761 1.750 -12.709 1.00 40.32 C ATOM 0 H VAL A 6 -8.906 0.906 -9.607 1.00 62.24 H new ATOM 0 HA VAL A 6 -9.979 2.747 -11.647 1.00 14.22 H new ATOM 0 HB VAL A 6 -8.670 0.015 -11.871 1.00 71.04 H new ATOM 0 HG11 VAL A 6 -9.215 0.069 -14.270 1.00 54.24 H new ATOM 0 HG12 VAL A 6 -10.679 0.001 -13.261 1.00 54.24 H new ATOM 0 HG13 VAL A 6 -10.187 1.537 -14.013 1.00 54.24 H new ATOM 0 HG21 VAL A 6 -7.176 1.188 -13.437 1.00 40.32 H new ATOM 0 HG22 VAL A 6 -8.064 2.702 -13.144 1.00 40.32 H new ATOM 0 HG23 VAL A 6 -7.156 1.933 -11.821 1.00 40.32 H new ATOM 83 N ILE A 7 -12.254 1.859 -11.097 1.00 23.42 N ATOM 84 CA ILE A 7 -13.609 1.339 -10.967 1.00 73.13 C ATOM 85 C ILE A 7 -14.419 1.595 -12.234 1.00 35.24 C ATOM 86 O ILE A 7 -14.702 2.741 -12.582 1.00 14.35 O ATOM 87 CB ILE A 7 -14.341 1.968 -9.767 1.00 52.02 C ATOM 88 CG1 ILE A 7 -15.805 1.522 -9.744 1.00 3.14 C ATOM 89 CG2 ILE A 7 -14.245 3.485 -9.824 1.00 41.32 C ATOM 90 CD1 ILE A 7 -16.426 1.560 -8.365 1.00 2.31 C ATOM 0 H ILE A 7 -12.194 2.877 -11.135 1.00 23.42 H new ATOM 0 HA ILE A 7 -13.521 0.265 -10.805 1.00 73.13 H new ATOM 0 HB ILE A 7 -13.862 1.627 -8.849 1.00 52.02 H new ATOM 0 HG12 ILE A 7 -16.382 2.162 -10.411 1.00 3.14 H new ATOM 0 HG13 ILE A 7 -15.874 0.508 -10.137 1.00 3.14 H new ATOM 0 HG21 ILE A 7 -14.767 3.915 -8.969 1.00 41.32 H new ATOM 0 HG22 ILE A 7 -13.197 3.785 -9.797 1.00 41.32 H new ATOM 0 HG23 ILE A 7 -14.702 3.844 -10.746 1.00 41.32 H new ATOM 0 HD11 ILE A 7 -17.464 1.231 -8.424 1.00 2.31 H new ATOM 0 HD12 ILE A 7 -15.873 0.898 -7.699 1.00 2.31 H new ATOM 0 HD13 ILE A 7 -16.389 2.578 -7.977 1.00 2.31 H new ATOM 102 N VAL A 8 -14.792 0.518 -12.919 1.00 1.40 N ATOM 103 CA VAL A 8 -15.573 0.626 -14.146 1.00 23.43 C ATOM 104 C VAL A 8 -16.895 -0.124 -14.023 1.00 3.32 C ATOM 105 O VAL A 8 -16.948 -1.223 -13.472 1.00 32.42 O ATOM 106 CB VAL A 8 -14.795 0.076 -15.356 1.00 45.30 C ATOM 107 CG1 VAL A 8 -13.408 0.698 -15.427 1.00 13.51 C ATOM 108 CG2 VAL A 8 -14.704 -1.441 -15.287 1.00 11.31 C ATOM 0 H VAL A 8 -14.566 -0.438 -12.645 1.00 1.40 H new ATOM 0 HA VAL A 8 -15.773 1.686 -14.303 1.00 23.43 H new ATOM 0 HB VAL A 8 -15.335 0.344 -16.264 1.00 45.30 H new ATOM 0 HG11 VAL A 8 -12.873 0.297 -16.288 1.00 13.51 H new ATOM 0 HG12 VAL A 8 -13.499 1.780 -15.527 1.00 13.51 H new ATOM 0 HG13 VAL A 8 -12.857 0.463 -14.516 1.00 13.51 H new ATOM 0 HG21 VAL A 8 -14.151 -1.812 -16.150 1.00 11.31 H new ATOM 0 HG22 VAL A 8 -14.188 -1.733 -14.372 1.00 11.31 H new ATOM 0 HG23 VAL A 8 -15.708 -1.866 -15.289 1.00 11.31 H new ATOM 118 N TYR A 9 -17.960 0.479 -14.540 1.00 22.40 N ATOM 119 CA TYR A 9 -19.283 -0.131 -14.487 1.00 14.33 C ATOM 120 C TYR A 9 -19.605 -0.850 -15.793 1.00 61.02 C ATOM 121 O TYR A 9 -19.334 -0.338 -16.879 1.00 14.43 O ATOM 122 CB TYR A 9 -20.346 0.932 -14.202 1.00 1.12 C ATOM 123 CG TYR A 9 -20.313 1.456 -12.784 1.00 13.11 C ATOM 124 CD1 TYR A 9 -19.206 2.143 -12.302 1.00 3.02 C ATOM 125 CD2 TYR A 9 -21.389 1.264 -11.926 1.00 70.31 C ATOM 126 CE1 TYR A 9 -19.171 2.623 -11.007 1.00 0.11 C ATOM 127 CE2 TYR A 9 -21.364 1.741 -10.630 1.00 44.52 C ATOM 128 CZ TYR A 9 -20.252 2.420 -10.175 1.00 54.32 C ATOM 129 OH TYR A 9 -20.223 2.897 -8.884 1.00 63.55 O ATOM 0 H TYR A 9 -17.933 1.389 -15.000 1.00 22.40 H new ATOM 0 HA TYR A 9 -19.285 -0.864 -13.680 1.00 14.33 H new ATOM 0 HB2 TYR A 9 -20.209 1.765 -14.892 1.00 1.12 H new ATOM 0 HB3 TYR A 9 -21.331 0.511 -14.402 1.00 1.12 H new ATOM 0 HD1 TYR A 9 -18.358 2.305 -12.951 1.00 3.02 H new ATOM 0 HD2 TYR A 9 -22.260 0.732 -12.279 1.00 70.31 H new ATOM 0 HE1 TYR A 9 -18.302 3.154 -10.648 1.00 0.11 H new ATOM 0 HE2 TYR A 9 -22.209 1.584 -9.977 1.00 44.52 H new ATOM 0 HH TYR A 9 -21.063 2.671 -8.433 1.00 63.55 H new ATOM 139 N GLU A 10 -20.185 -2.041 -15.678 1.00 42.23 N ATOM 140 CA GLU A 10 -20.543 -2.831 -16.850 1.00 34.20 C ATOM 141 C GLU A 10 -21.986 -2.562 -17.267 1.00 54.00 C ATOM 142 O GLU A 10 -22.651 -3.427 -17.839 1.00 42.32 O ATOM 143 CB GLU A 10 -20.353 -4.322 -16.564 1.00 73.45 C ATOM 144 CG GLU A 10 -21.033 -4.789 -15.289 1.00 34.45 C ATOM 145 CD GLU A 10 -21.993 -5.940 -15.526 1.00 45.41 C ATOM 146 OE1 GLU A 10 -21.523 -7.093 -15.620 1.00 21.11 O ATOM 147 OE2 GLU A 10 -23.212 -5.687 -15.618 1.00 42.24 O ATOM 0 H GLU A 10 -20.417 -2.479 -14.786 1.00 42.23 H new ATOM 0 HA GLU A 10 -19.886 -2.538 -17.669 1.00 34.20 H new ATOM 0 HB2 GLU A 10 -20.742 -4.897 -17.405 1.00 73.45 H new ATOM 0 HB3 GLU A 10 -19.287 -4.537 -16.497 1.00 73.45 H new ATOM 0 HG2 GLU A 10 -20.275 -5.096 -14.569 1.00 34.45 H new ATOM 0 HG3 GLU A 10 -21.575 -3.954 -14.844 1.00 34.45 H new ATOM 154 N HIS A 11 -22.465 -1.357 -16.976 1.00 14.34 N ATOM 155 CA HIS A 11 -23.830 -0.972 -17.320 1.00 23.41 C ATOM 156 C HIS A 11 -24.081 0.496 -16.989 1.00 23.44 C ATOM 157 O HIS A 11 -23.151 1.240 -16.678 1.00 41.41 O ATOM 158 CB HIS A 11 -24.833 -1.854 -16.576 1.00 54.02 C ATOM 159 CG HIS A 11 -25.818 -2.533 -17.478 1.00 42.11 C ATOM 160 ND1 HIS A 11 -26.315 -3.796 -17.235 1.00 10.35 N ATOM 161 CD2 HIS A 11 -26.399 -2.117 -18.628 1.00 3.44 C ATOM 162 CE1 HIS A 11 -27.158 -4.128 -18.196 1.00 42.32 C ATOM 163 NE2 HIS A 11 -27.227 -3.126 -19.054 1.00 2.30 N ATOM 0 H HIS A 11 -21.929 -0.630 -16.503 1.00 14.34 H new ATOM 0 HA HIS A 11 -23.961 -1.111 -18.393 1.00 23.41 H new ATOM 0 HB2 HIS A 11 -24.289 -2.611 -16.010 1.00 54.02 H new ATOM 0 HB3 HIS A 11 -25.375 -1.244 -15.853 1.00 54.02 H new ATOM 0 HD2 HIS A 11 -26.241 -1.168 -19.119 1.00 3.44 H new ATOM 0 HE1 HIS A 11 -27.699 -5.060 -18.268 1.00 42.32 H new ATOM 0 HE2 HIS A 11 -27.802 -3.105 -19.896 1.00 2.30 H new ATOM 171 N VAL A 12 -25.343 0.905 -17.058 1.00 14.44 N ATOM 172 CA VAL A 12 -25.717 2.284 -16.765 1.00 3.12 C ATOM 173 C VAL A 12 -25.352 2.660 -15.333 1.00 60.10 C ATOM 174 O VAL A 12 -24.913 1.817 -14.552 1.00 44.01 O ATOM 175 CB VAL A 12 -27.225 2.514 -16.976 1.00 30.01 C ATOM 176 CG1 VAL A 12 -27.995 2.213 -15.699 1.00 71.21 C ATOM 177 CG2 VAL A 12 -27.486 3.938 -17.442 1.00 53.15 C ATOM 0 H VAL A 12 -26.124 0.301 -17.314 1.00 14.44 H new ATOM 0 HA VAL A 12 -25.161 2.916 -17.457 1.00 3.12 H new ATOM 0 HB VAL A 12 -27.574 1.832 -17.752 1.00 30.01 H new ATOM 0 HG11 VAL A 12 -29.059 2.381 -15.867 1.00 71.21 H new ATOM 0 HG12 VAL A 12 -27.833 1.174 -15.413 1.00 71.21 H new ATOM 0 HG13 VAL A 12 -27.646 2.868 -14.901 1.00 71.21 H new ATOM 0 HG21 VAL A 12 -28.557 4.083 -17.586 1.00 53.15 H new ATOM 0 HG22 VAL A 12 -27.123 4.639 -16.691 1.00 53.15 H new ATOM 0 HG23 VAL A 12 -26.966 4.114 -18.384 1.00 53.15 H new ATOM 187 N ASN A 13 -25.538 3.932 -14.995 1.00 61.13 N ATOM 188 CA ASN A 13 -25.228 4.420 -13.656 1.00 53.35 C ATOM 189 C ASN A 13 -26.407 4.203 -12.712 1.00 25.40 C ATOM 190 O ASN A 13 -26.713 5.054 -11.878 1.00 2.45 O ATOM 191 CB ASN A 13 -24.866 5.906 -13.704 1.00 52.11 C ATOM 192 CG ASN A 13 -23.866 6.292 -12.631 1.00 51.15 C ATOM 193 OD1 ASN A 13 -23.023 5.488 -12.235 1.00 22.40 O ATOM 194 ND2 ASN A 13 -23.956 7.529 -12.156 1.00 72.13 N ATOM 0 H ASN A 13 -25.902 4.643 -15.629 1.00 61.13 H new ATOM 0 HA ASN A 13 -24.375 3.857 -13.279 1.00 53.35 H new ATOM 0 HB2 ASN A 13 -24.454 6.145 -14.684 1.00 52.11 H new ATOM 0 HB3 ASN A 13 -25.771 6.502 -13.585 1.00 52.11 H new ATOM 0 HD21 ASN A 13 -23.310 7.846 -11.433 1.00 72.13 H new ATOM 0 HD22 ASN A 13 -24.671 8.162 -12.514 1.00 72.13 H new ATOM 201 N PHE A 14 -27.064 3.056 -12.849 1.00 64.31 N ATOM 202 CA PHE A 14 -28.209 2.725 -12.009 1.00 4.33 C ATOM 203 C PHE A 14 -28.849 1.414 -12.453 1.00 73.24 C ATOM 204 O PHE A 14 -30.068 1.255 -12.398 1.00 50.40 O ATOM 205 CB PHE A 14 -29.243 3.852 -12.053 1.00 42.12 C ATOM 206 CG PHE A 14 -29.529 4.349 -13.442 1.00 21.45 C ATOM 207 CD1 PHE A 14 -30.401 3.662 -14.271 1.00 12.20 C ATOM 208 CD2 PHE A 14 -28.926 5.502 -13.917 1.00 71.00 C ATOM 209 CE1 PHE A 14 -30.665 4.117 -15.549 1.00 74.42 C ATOM 210 CE2 PHE A 14 -29.187 5.962 -15.194 1.00 61.53 C ATOM 211 CZ PHE A 14 -30.059 5.268 -16.011 1.00 4.30 C ATOM 0 H PHE A 14 -26.823 2.340 -13.534 1.00 64.31 H new ATOM 0 HA PHE A 14 -27.855 2.606 -10.985 1.00 4.33 H new ATOM 0 HB2 PHE A 14 -30.171 3.500 -11.603 1.00 42.12 H new ATOM 0 HB3 PHE A 14 -28.889 4.684 -11.444 1.00 42.12 H new ATOM 0 HD1 PHE A 14 -30.879 2.762 -13.915 1.00 12.20 H new ATOM 0 HD2 PHE A 14 -28.244 6.048 -13.282 1.00 71.00 H new ATOM 0 HE1 PHE A 14 -31.346 3.572 -16.186 1.00 74.42 H new ATOM 0 HE2 PHE A 14 -28.710 6.862 -15.553 1.00 61.53 H new ATOM 0 HZ PHE A 14 -30.266 5.625 -17.009 1.00 4.30 H new ATOM 221 N GLY A 15 -28.017 0.475 -12.896 1.00 13.55 N ATOM 222 CA GLY A 15 -28.520 -0.810 -13.344 1.00 41.12 C ATOM 223 C GLY A 15 -27.407 -1.774 -13.704 1.00 41.15 C ATOM 224 O GLY A 15 -27.529 -2.547 -14.653 1.00 61.24 O ATOM 0 H GLY A 15 -27.004 0.582 -12.952 1.00 13.55 H new ATOM 0 HA2 GLY A 15 -29.137 -1.249 -12.560 1.00 41.12 H new ATOM 0 HA3 GLY A 15 -29.164 -0.663 -14.211 1.00 41.12 H new ATOM 228 N GLY A 16 -26.316 -1.727 -12.945 1.00 53.12 N ATOM 229 CA GLY A 16 -25.192 -2.607 -13.207 1.00 11.44 C ATOM 230 C GLY A 16 -24.278 -2.752 -12.006 1.00 35.32 C ATOM 231 O GLY A 16 -24.391 -2.003 -11.036 1.00 10.34 O ATOM 0 H GLY A 16 -26.191 -1.096 -12.154 1.00 53.12 H new ATOM 0 HA2 GLY A 16 -25.564 -3.590 -13.498 1.00 11.44 H new ATOM 0 HA3 GLY A 16 -24.620 -2.220 -14.050 1.00 11.44 H new ATOM 235 N LYS A 17 -23.371 -3.721 -12.069 1.00 13.02 N ATOM 236 CA LYS A 17 -22.434 -3.964 -10.979 1.00 30.24 C ATOM 237 C LYS A 17 -21.170 -3.128 -11.151 1.00 12.31 C ATOM 238 O LYS A 17 -20.736 -2.866 -12.273 1.00 1.25 O ATOM 239 CB LYS A 17 -22.070 -5.449 -10.913 1.00 74.30 C ATOM 240 CG LYS A 17 -21.049 -5.872 -11.954 1.00 44.13 C ATOM 241 CD LYS A 17 -19.675 -6.075 -11.337 1.00 60.23 C ATOM 242 CE LYS A 17 -19.662 -7.261 -10.385 1.00 2.12 C ATOM 243 NZ LYS A 17 -19.038 -6.915 -9.077 1.00 73.24 N ATOM 0 H LYS A 17 -23.265 -4.351 -12.864 1.00 13.02 H new ATOM 0 HA LYS A 17 -22.917 -3.673 -10.047 1.00 30.24 H new ATOM 0 HB2 LYS A 17 -21.680 -5.675 -9.921 1.00 74.30 H new ATOM 0 HB3 LYS A 17 -22.975 -6.042 -11.042 1.00 74.30 H new ATOM 0 HG2 LYS A 17 -21.375 -6.797 -12.430 1.00 44.13 H new ATOM 0 HG3 LYS A 17 -20.990 -5.115 -12.736 1.00 44.13 H new ATOM 0 HD2 LYS A 17 -18.940 -6.233 -12.126 1.00 60.23 H new ATOM 0 HD3 LYS A 17 -19.379 -5.173 -10.801 1.00 60.23 H new ATOM 0 HE2 LYS A 17 -20.683 -7.606 -10.221 1.00 2.12 H new ATOM 0 HE3 LYS A 17 -19.116 -8.087 -10.841 1.00 2.12 H new ATOM 0 HZ1 LYS A 17 -19.048 -7.749 -8.456 1.00 73.24 H new ATOM 0 HZ2 LYS A 17 -18.056 -6.610 -9.231 1.00 73.24 H new ATOM 0 HZ3 LYS A 17 -19.574 -6.144 -8.630 1.00 73.24 H new ATOM 257 N SER A 18 -20.584 -2.712 -10.033 1.00 22.44 N ATOM 258 CA SER A 18 -19.371 -1.904 -10.060 1.00 42.45 C ATOM 259 C SER A 18 -18.128 -2.788 -10.059 1.00 22.33 C ATOM 260 O SER A 18 -17.839 -3.471 -9.076 1.00 34.41 O ATOM 261 CB SER A 18 -19.337 -0.955 -8.861 1.00 33.15 C ATOM 262 OG SER A 18 -19.582 -1.653 -7.652 1.00 13.02 O ATOM 0 H SER A 18 -20.930 -2.921 -9.097 1.00 22.44 H new ATOM 0 HA SER A 18 -19.377 -1.317 -10.978 1.00 42.45 H new ATOM 0 HB2 SER A 18 -18.366 -0.463 -8.810 1.00 33.15 H new ATOM 0 HB3 SER A 18 -20.085 -0.173 -8.991 1.00 33.15 H new ATOM 0 HG SER A 18 -19.067 -2.487 -7.646 1.00 13.02 H new ATOM 268 N PHE A 19 -17.395 -2.770 -11.167 1.00 70.32 N ATOM 269 CA PHE A 19 -16.183 -3.571 -11.295 1.00 71.14 C ATOM 270 C PHE A 19 -14.962 -2.791 -10.817 1.00 14.25 C ATOM 271 O PHE A 19 -14.418 -1.960 -11.544 1.00 74.24 O ATOM 272 CB PHE A 19 -15.986 -4.007 -12.749 1.00 2.02 C ATOM 273 CG PHE A 19 -15.558 -5.440 -12.892 1.00 54.32 C ATOM 274 CD1 PHE A 19 -14.316 -5.855 -12.440 1.00 13.42 C ATOM 275 CD2 PHE A 19 -16.399 -6.372 -13.480 1.00 3.40 C ATOM 276 CE1 PHE A 19 -13.920 -7.172 -12.570 1.00 30.41 C ATOM 277 CE2 PHE A 19 -16.008 -7.691 -13.612 1.00 51.44 C ATOM 278 CZ PHE A 19 -14.767 -8.091 -13.158 1.00 22.30 C ATOM 0 H PHE A 19 -17.619 -2.210 -11.989 1.00 70.32 H new ATOM 0 HA PHE A 19 -16.295 -4.456 -10.669 1.00 71.14 H new ATOM 0 HB2 PHE A 19 -16.918 -3.858 -13.294 1.00 2.02 H new ATOM 0 HB3 PHE A 19 -15.239 -3.365 -13.215 1.00 2.02 H new ATOM 0 HD1 PHE A 19 -13.649 -5.140 -11.980 1.00 13.42 H new ATOM 0 HD2 PHE A 19 -17.370 -6.064 -13.839 1.00 3.40 H new ATOM 0 HE1 PHE A 19 -12.949 -7.483 -12.212 1.00 30.41 H new ATOM 0 HE2 PHE A 19 -16.673 -8.408 -14.070 1.00 51.44 H new ATOM 0 HZ PHE A 19 -14.459 -9.121 -13.262 1.00 22.30 H new ATOM 461 N ASP A 34 -23.977 -4.061 -25.427 1.00 3.24 N ATOM 462 CA ASP A 34 -23.164 -2.851 -25.372 1.00 21.32 C ATOM 463 C ASP A 34 -24.021 -1.635 -25.036 1.00 75.03 C ATOM 464 O ASP A 34 -24.103 -0.685 -25.816 1.00 35.43 O ATOM 465 CB ASP A 34 -22.446 -2.633 -26.705 1.00 11.24 C ATOM 466 CG ASP A 34 -20.995 -3.069 -26.659 1.00 70.30 C ATOM 467 OD1 ASP A 34 -20.430 -3.133 -25.548 1.00 22.34 O ATOM 468 OD2 ASP A 34 -20.424 -3.346 -27.735 1.00 73.20 O ATOM 0 HA ASP A 34 -22.421 -2.977 -24.584 1.00 21.32 H new ATOM 0 HB2 ASP A 34 -22.964 -3.187 -27.488 1.00 11.24 H new ATOM 0 HB3 ASP A 34 -22.497 -1.578 -26.974 1.00 11.24 H new ATOM 473 N LYS A 35 -24.660 -1.671 -23.872 1.00 12.12 N ATOM 474 CA LYS A 35 -25.512 -0.572 -23.432 1.00 30.54 C ATOM 475 C LYS A 35 -24.691 0.506 -22.732 1.00 41.35 C ATOM 476 O LYS A 35 -23.493 0.337 -22.504 1.00 62.21 O ATOM 477 CB LYS A 35 -26.601 -1.090 -22.489 1.00 60.43 C ATOM 478 CG LYS A 35 -27.917 -1.388 -23.186 1.00 72.34 C ATOM 479 CD LYS A 35 -27.730 -2.360 -24.339 1.00 72.23 C ATOM 480 CE LYS A 35 -27.665 -1.635 -25.675 1.00 34.13 C ATOM 481 NZ LYS A 35 -28.907 -1.831 -26.473 1.00 13.52 N ATOM 0 H LYS A 35 -24.604 -2.450 -23.216 1.00 12.12 H new ATOM 0 HA LYS A 35 -25.980 -0.133 -24.313 1.00 30.54 H new ATOM 0 HB2 LYS A 35 -26.245 -1.997 -22.000 1.00 60.43 H new ATOM 0 HB3 LYS A 35 -26.773 -0.352 -21.706 1.00 60.43 H new ATOM 0 HG2 LYS A 35 -28.624 -1.805 -22.468 1.00 72.34 H new ATOM 0 HG3 LYS A 35 -28.351 -0.460 -23.558 1.00 72.34 H new ATOM 0 HD2 LYS A 35 -26.814 -2.932 -24.189 1.00 72.23 H new ATOM 0 HD3 LYS A 35 -28.553 -3.074 -24.351 1.00 72.23 H new ATOM 0 HE2 LYS A 35 -27.508 -0.570 -25.503 1.00 34.13 H new ATOM 0 HE3 LYS A 35 -26.808 -1.996 -26.243 1.00 34.13 H new ATOM 0 HZ1 LYS A 35 -28.824 -1.322 -27.376 1.00 13.52 H new ATOM 0 HZ2 LYS A 35 -29.044 -2.845 -26.659 1.00 13.52 H new ATOM 0 HZ3 LYS A 35 -29.722 -1.463 -25.942 1.00 13.52 H new ATOM 495 N ILE A 36 -25.343 1.613 -22.394 1.00 40.52 N ATOM 496 CA ILE A 36 -24.673 2.718 -21.719 1.00 30.23 C ATOM 497 C ILE A 36 -23.870 2.223 -20.520 1.00 53.32 C ATOM 498 O ILE A 36 -24.412 1.584 -19.618 1.00 50.33 O ATOM 499 CB ILE A 36 -25.680 3.782 -21.244 1.00 74.31 C ATOM 500 CG1 ILE A 36 -24.973 4.846 -20.403 1.00 42.34 C ATOM 501 CG2 ILE A 36 -26.803 3.131 -20.449 1.00 43.14 C ATOM 502 CD1 ILE A 36 -25.582 6.224 -20.536 1.00 14.43 C ATOM 0 H ILE A 36 -26.334 1.769 -22.576 1.00 40.52 H new ATOM 0 HA ILE A 36 -23.997 3.169 -22.446 1.00 30.23 H new ATOM 0 HB ILE A 36 -26.113 4.266 -22.119 1.00 74.31 H new ATOM 0 HG12 ILE A 36 -24.999 4.546 -19.355 1.00 42.34 H new ATOM 0 HG13 ILE A 36 -23.924 4.891 -20.696 1.00 42.34 H new ATOM 0 HG21 ILE A 36 -27.507 3.896 -20.120 1.00 43.14 H new ATOM 0 HG22 ILE A 36 -27.321 2.407 -21.078 1.00 43.14 H new ATOM 0 HG23 ILE A 36 -26.386 2.623 -19.579 1.00 43.14 H new ATOM 0 HD11 ILE A 36 -25.030 6.927 -19.912 1.00 14.43 H new ATOM 0 HD12 ILE A 36 -25.532 6.545 -21.576 1.00 14.43 H new ATOM 0 HD13 ILE A 36 -26.623 6.194 -20.215 1.00 14.43 H new ATOM 514 N SER A 37 -22.576 2.525 -20.517 1.00 2.03 N ATOM 515 CA SER A 37 -21.697 2.110 -19.430 1.00 31.34 C ATOM 516 C SER A 37 -21.144 3.321 -18.685 1.00 51.10 C ATOM 517 O SER A 37 -21.144 4.437 -19.205 1.00 73.44 O ATOM 518 CB SER A 37 -20.546 1.261 -19.972 1.00 44.13 C ATOM 519 OG SER A 37 -20.386 0.074 -19.215 1.00 60.11 O ATOM 0 H SER A 37 -22.113 3.055 -21.255 1.00 2.03 H new ATOM 0 HA SER A 37 -22.282 1.512 -18.731 1.00 31.34 H new ATOM 0 HB2 SER A 37 -20.737 1.008 -21.015 1.00 44.13 H new ATOM 0 HB3 SER A 37 -19.622 1.838 -19.948 1.00 44.13 H new ATOM 0 HG SER A 37 -19.956 0.286 -18.361 1.00 60.11 H new ATOM 525 N SER A 38 -20.673 3.092 -17.463 1.00 51.53 N ATOM 526 CA SER A 38 -20.120 4.165 -16.644 1.00 73.31 C ATOM 527 C SER A 38 -18.666 3.878 -16.283 1.00 41.25 C ATOM 528 O SER A 38 -18.381 3.045 -15.422 1.00 52.33 O ATOM 529 CB SER A 38 -20.949 4.340 -15.370 1.00 5.42 C ATOM 530 OG SER A 38 -20.152 4.838 -14.309 1.00 12.43 O ATOM 0 H SER A 38 -20.663 2.174 -17.019 1.00 51.53 H new ATOM 0 HA SER A 38 -20.157 5.088 -17.223 1.00 73.31 H new ATOM 0 HB2 SER A 38 -21.775 5.025 -15.561 1.00 5.42 H new ATOM 0 HB3 SER A 38 -21.387 3.384 -15.083 1.00 5.42 H new ATOM 0 HG SER A 38 -19.876 4.096 -13.731 1.00 12.43 H new ATOM 536 N ILE A 39 -17.750 4.574 -16.948 1.00 40.25 N ATOM 537 CA ILE A 39 -16.325 4.396 -16.698 1.00 32.01 C ATOM 538 C ILE A 39 -15.721 5.639 -16.053 1.00 64.34 C ATOM 539 O ILE A 39 -15.520 6.659 -16.713 1.00 14.02 O ATOM 540 CB ILE A 39 -15.560 4.081 -17.997 1.00 51.41 C ATOM 541 CG1 ILE A 39 -15.647 2.588 -18.317 1.00 72.30 C ATOM 542 CG2 ILE A 39 -14.108 4.519 -17.876 1.00 31.02 C ATOM 543 CD1 ILE A 39 -17.066 2.068 -18.396 1.00 3.35 C ATOM 0 H ILE A 39 -17.969 5.266 -17.664 1.00 40.25 H new ATOM 0 HA ILE A 39 -16.227 3.552 -16.016 1.00 32.01 H new ATOM 0 HB ILE A 39 -16.019 4.636 -18.815 1.00 51.41 H new ATOM 0 HG12 ILE A 39 -15.146 2.398 -19.266 1.00 72.30 H new ATOM 0 HG13 ILE A 39 -15.106 2.029 -17.554 1.00 72.30 H new ATOM 0 HG21 ILE A 39 -13.580 4.290 -18.802 1.00 31.02 H new ATOM 0 HG22 ILE A 39 -14.066 5.592 -17.691 1.00 31.02 H new ATOM 0 HG23 ILE A 39 -13.636 3.989 -17.049 1.00 31.02 H new ATOM 0 HD11 ILE A 39 -17.051 1.003 -18.626 1.00 3.35 H new ATOM 0 HD12 ILE A 39 -17.565 2.226 -17.440 1.00 3.35 H new ATOM 0 HD13 ILE A 39 -17.606 2.601 -19.179 1.00 3.35 H new ATOM 555 N LYS A 40 -15.430 5.546 -14.760 1.00 62.23 N ATOM 556 CA LYS A 40 -14.845 6.661 -14.025 1.00 64.31 C ATOM 557 C LYS A 40 -13.501 6.268 -13.420 1.00 65.03 C ATOM 558 O LYS A 40 -13.444 5.600 -12.388 1.00 15.35 O ATOM 559 CB LYS A 40 -15.796 7.126 -12.921 1.00 34.23 C ATOM 560 CG LYS A 40 -15.519 8.537 -12.433 1.00 3.21 C ATOM 561 CD LYS A 40 -15.472 8.604 -10.916 1.00 22.44 C ATOM 562 CE LYS A 40 -16.869 8.588 -10.314 1.00 25.24 C ATOM 563 NZ LYS A 40 -16.948 7.702 -9.119 1.00 4.31 N ATOM 0 H LYS A 40 -15.590 4.709 -14.199 1.00 62.23 H new ATOM 0 HA LYS A 40 -14.683 7.480 -14.726 1.00 64.31 H new ATOM 0 HB2 LYS A 40 -16.820 7.073 -13.290 1.00 34.23 H new ATOM 0 HB3 LYS A 40 -15.724 6.439 -12.078 1.00 34.23 H new ATOM 0 HG2 LYS A 40 -14.571 8.885 -12.843 1.00 3.21 H new ATOM 0 HG3 LYS A 40 -16.293 9.209 -12.804 1.00 3.21 H new ATOM 0 HD2 LYS A 40 -14.899 7.760 -10.531 1.00 22.44 H new ATOM 0 HD3 LYS A 40 -14.952 9.510 -10.607 1.00 22.44 H new ATOM 0 HE2 LYS A 40 -17.155 9.602 -10.034 1.00 25.24 H new ATOM 0 HE3 LYS A 40 -17.584 8.250 -11.064 1.00 25.24 H new ATOM 0 HZ1 LYS A 40 -17.916 7.718 -8.738 1.00 4.31 H new ATOM 0 HZ2 LYS A 40 -16.699 6.729 -9.391 1.00 4.31 H new ATOM 0 HZ3 LYS A 40 -16.284 8.039 -8.393 1.00 4.31 H new ATOM 577 N VAL A 41 -12.419 6.688 -14.069 1.00 72.14 N ATOM 578 CA VAL A 41 -11.075 6.382 -13.594 1.00 12.21 C ATOM 579 C VAL A 41 -10.091 7.478 -13.987 1.00 2.14 C ATOM 580 O VAL A 41 -10.235 8.113 -15.032 1.00 32.23 O ATOM 581 CB VAL A 41 -10.576 5.035 -14.150 1.00 41.51 C ATOM 582 CG1 VAL A 41 -9.187 4.719 -13.617 1.00 42.40 C ATOM 583 CG2 VAL A 41 -11.554 3.922 -13.806 1.00 41.15 C ATOM 0 H VAL A 41 -12.448 7.241 -14.925 1.00 72.14 H new ATOM 0 HA VAL A 41 -11.130 6.319 -12.507 1.00 12.21 H new ATOM 0 HB VAL A 41 -10.514 5.110 -15.236 1.00 41.51 H new ATOM 0 HG11 VAL A 41 -8.851 3.764 -14.021 1.00 42.40 H new ATOM 0 HG12 VAL A 41 -8.494 5.504 -13.919 1.00 42.40 H new ATOM 0 HG13 VAL A 41 -9.219 4.662 -12.529 1.00 42.40 H new ATOM 0 HG21 VAL A 41 -11.186 2.977 -14.206 1.00 41.15 H new ATOM 0 HG22 VAL A 41 -11.650 3.844 -12.723 1.00 41.15 H new ATOM 0 HG23 VAL A 41 -12.528 4.146 -14.242 1.00 41.15 H new ATOM 593 N LYS A 42 -9.088 7.696 -13.142 1.00 74.40 N ATOM 594 CA LYS A 42 -8.077 8.714 -13.400 1.00 71.21 C ATOM 595 C LYS A 42 -6.675 8.159 -13.170 1.00 31.30 C ATOM 596 O LYS A 42 -6.126 8.269 -12.074 1.00 22.01 O ATOM 597 CB LYS A 42 -8.309 9.931 -12.502 1.00 42.23 C ATOM 598 CG LYS A 42 -9.740 10.439 -12.524 1.00 32.05 C ATOM 599 CD LYS A 42 -10.393 10.325 -11.156 1.00 24.10 C ATOM 600 CE LYS A 42 -10.545 8.873 -10.730 1.00 64.43 C ATOM 601 NZ LYS A 42 -10.988 8.753 -9.314 1.00 14.31 N ATOM 0 H LYS A 42 -8.954 7.180 -12.272 1.00 74.40 H new ATOM 0 HA LYS A 42 -8.161 9.018 -14.443 1.00 71.21 H new ATOM 0 HB2 LYS A 42 -8.040 9.673 -11.478 1.00 42.23 H new ATOM 0 HB3 LYS A 42 -7.642 10.735 -12.814 1.00 42.23 H new ATOM 0 HG2 LYS A 42 -9.753 11.479 -12.849 1.00 32.05 H new ATOM 0 HG3 LYS A 42 -10.318 9.870 -13.253 1.00 32.05 H new ATOM 0 HD2 LYS A 42 -9.793 10.860 -10.420 1.00 24.10 H new ATOM 0 HD3 LYS A 42 -11.372 10.803 -11.178 1.00 24.10 H new ATOM 0 HE2 LYS A 42 -11.267 8.378 -11.379 1.00 64.43 H new ATOM 0 HE3 LYS A 42 -9.594 8.356 -10.858 1.00 64.43 H new ATOM 0 HZ1 LYS A 42 -11.080 7.748 -9.063 1.00 14.31 H new ATOM 0 HZ2 LYS A 42 -10.287 9.203 -8.692 1.00 14.31 H new ATOM 0 HZ3 LYS A 42 -11.908 9.224 -9.197 1.00 14.31 H new ATOM 615 N SER A 43 -6.101 7.563 -14.211 1.00 10.35 N ATOM 616 CA SER A 43 -4.764 6.989 -14.121 1.00 4.14 C ATOM 617 C SER A 43 -4.216 6.669 -15.508 1.00 24.21 C ATOM 618 O SER A 43 -4.542 5.638 -16.094 1.00 30.52 O ATOM 619 CB SER A 43 -4.786 5.722 -13.264 1.00 33.13 C ATOM 620 OG SER A 43 -6.046 5.077 -13.340 1.00 10.45 O ATOM 0 H SER A 43 -6.541 7.465 -15.126 1.00 10.35 H new ATOM 0 HA SER A 43 -4.111 7.725 -13.652 1.00 4.14 H new ATOM 0 HB2 SER A 43 -4.004 5.040 -13.598 1.00 33.13 H new ATOM 0 HB3 SER A 43 -4.566 5.977 -12.227 1.00 33.13 H new ATOM 0 HG SER A 43 -6.034 4.269 -12.785 1.00 10.45 H new ATOM 626 N GLY A 44 -3.379 7.562 -16.028 1.00 12.31 N ATOM 627 CA GLY A 44 -2.799 7.358 -17.342 1.00 64.01 C ATOM 628 C GLY A 44 -3.850 7.174 -18.418 1.00 71.12 C ATOM 629 O GLY A 44 -4.902 7.814 -18.386 1.00 43.13 O ATOM 0 H GLY A 44 -3.093 8.423 -15.562 1.00 12.31 H new ATOM 0 HA2 GLY A 44 -2.171 8.212 -17.595 1.00 64.01 H new ATOM 0 HA3 GLY A 44 -2.151 6.482 -17.318 1.00 64.01 H new ATOM 633 N THR A 45 -3.567 6.297 -19.377 1.00 2.13 N ATOM 634 CA THR A 45 -4.494 6.033 -20.469 1.00 75.41 C ATOM 635 C THR A 45 -4.856 4.553 -20.537 1.00 54.31 C ATOM 636 O THR A 45 -4.058 3.692 -20.168 1.00 70.03 O ATOM 637 CB THR A 45 -3.906 6.468 -21.824 1.00 44.11 C ATOM 638 OG1 THR A 45 -2.609 5.887 -22.004 1.00 52.33 O ATOM 639 CG2 THR A 45 -3.804 7.984 -21.908 1.00 21.31 C ATOM 0 H THR A 45 -2.702 5.758 -19.419 1.00 2.13 H new ATOM 0 HA THR A 45 -5.393 6.616 -20.268 1.00 75.41 H new ATOM 0 HB THR A 45 -4.573 6.120 -22.613 1.00 44.11 H new ATOM 0 HG1 THR A 45 -2.242 6.167 -22.869 1.00 52.33 H new ATOM 0 HG21 THR A 45 -3.386 8.268 -22.874 1.00 21.31 H new ATOM 0 HG22 THR A 45 -4.796 8.422 -21.799 1.00 21.31 H new ATOM 0 HG23 THR A 45 -3.157 8.350 -21.111 1.00 21.31 H new ATOM 647 N TRP A 46 -6.063 4.266 -21.011 1.00 32.21 N ATOM 648 CA TRP A 46 -6.530 2.889 -21.128 1.00 31.13 C ATOM 649 C TRP A 46 -7.180 2.648 -22.486 1.00 32.14 C ATOM 650 O TRP A 46 -7.888 3.510 -23.007 1.00 21.01 O ATOM 651 CB TRP A 46 -7.523 2.569 -20.009 1.00 61.21 C ATOM 652 CG TRP A 46 -7.536 3.594 -18.916 1.00 33.45 C ATOM 653 CD1 TRP A 46 -6.528 3.866 -18.035 1.00 74.02 C ATOM 654 CD2 TRP A 46 -8.611 4.481 -18.585 1.00 64.44 C ATOM 655 NE1 TRP A 46 -6.911 4.869 -17.178 1.00 34.14 N ATOM 656 CE2 TRP A 46 -8.184 5.264 -17.495 1.00 32.42 C ATOM 657 CE3 TRP A 46 -9.890 4.691 -19.106 1.00 52.11 C ATOM 658 CZ2 TRP A 46 -8.993 6.238 -16.917 1.00 53.43 C ATOM 659 CZ3 TRP A 46 -10.692 5.659 -18.532 1.00 31.25 C ATOM 660 CH2 TRP A 46 -10.241 6.423 -17.447 1.00 54.21 C ATOM 0 H TRP A 46 -6.736 4.968 -21.320 1.00 32.21 H new ATOM 0 HA TRP A 46 -5.667 2.230 -21.038 1.00 31.13 H new ATOM 0 HB2 TRP A 46 -8.524 2.488 -20.433 1.00 61.21 H new ATOM 0 HB3 TRP A 46 -7.278 1.596 -19.582 1.00 61.21 H new ATOM 0 HD1 TRP A 46 -5.571 3.366 -18.015 1.00 74.02 H new ATOM 0 HE1 TRP A 46 -6.340 5.257 -16.427 1.00 34.14 H new ATOM 0 HE3 TRP A 46 -10.246 4.107 -19.942 1.00 52.11 H new ATOM 0 HZ2 TRP A 46 -8.648 6.827 -16.080 1.00 53.43 H new ATOM 0 HZ3 TRP A 46 -11.683 5.830 -18.926 1.00 31.25 H new ATOM 0 HH2 TRP A 46 -10.891 7.173 -17.021 1.00 54.21 H new ATOM 671 N ARG A 47 -6.936 1.471 -23.053 1.00 51.44 N ATOM 672 CA ARG A 47 -7.498 1.118 -24.352 1.00 4.43 C ATOM 673 C ARG A 47 -8.764 0.283 -24.187 1.00 51.33 C ATOM 674 O ARG A 47 -8.723 -0.829 -23.661 1.00 61.13 O ATOM 675 CB ARG A 47 -6.470 0.348 -25.183 1.00 73.11 C ATOM 676 CG ARG A 47 -5.252 1.174 -25.564 1.00 33.42 C ATOM 677 CD ARG A 47 -4.017 0.730 -24.797 1.00 4.04 C ATOM 678 NE ARG A 47 -2.784 1.198 -25.425 1.00 54.44 N ATOM 679 CZ ARG A 47 -1.585 0.696 -25.156 1.00 23.13 C ATOM 680 NH1 ARG A 47 -1.456 -0.286 -24.274 1.00 14.32 N ATOM 681 NH2 ARG A 47 -0.510 1.175 -25.769 1.00 52.13 N ATOM 0 H ARG A 47 -6.353 0.746 -22.634 1.00 51.44 H new ATOM 0 HA ARG A 47 -7.757 2.040 -24.872 1.00 4.43 H new ATOM 0 HB2 ARG A 47 -6.144 -0.527 -24.621 1.00 73.11 H new ATOM 0 HB3 ARG A 47 -6.950 -0.017 -26.091 1.00 73.11 H new ATOM 0 HG2 ARG A 47 -5.069 1.083 -26.635 1.00 33.42 H new ATOM 0 HG3 ARG A 47 -5.448 2.227 -25.363 1.00 33.42 H new ATOM 0 HD2 ARG A 47 -4.069 1.108 -23.776 1.00 4.04 H new ATOM 0 HD3 ARG A 47 -4.001 -0.358 -24.734 1.00 4.04 H new ATOM 0 HE ARG A 47 -2.848 1.953 -26.108 1.00 54.44 H new ATOM 0 HH11 ARG A 47 -2.279 -0.658 -23.800 1.00 14.32 H new ATOM 0 HH12 ARG A 47 -0.533 -0.670 -24.069 1.00 14.32 H new ATOM 0 HH21 ARG A 47 -0.604 1.930 -26.448 1.00 52.13 H new ATOM 0 HH22 ARG A 47 0.411 0.788 -25.561 1.00 52.13 H new ATOM 695 N PHE A 48 -9.889 0.828 -24.640 1.00 64.33 N ATOM 696 CA PHE A 48 -11.167 0.134 -24.542 1.00 75.02 C ATOM 697 C PHE A 48 -11.572 -0.454 -25.891 1.00 22.52 C ATOM 698 O PHE A 48 -11.431 0.191 -26.930 1.00 4.24 O ATOM 699 CB PHE A 48 -12.253 1.090 -24.044 1.00 34.11 C ATOM 700 CG PHE A 48 -12.521 0.977 -22.570 1.00 74.24 C ATOM 701 CD1 PHE A 48 -13.346 -0.021 -22.077 1.00 73.45 C ATOM 702 CD2 PHE A 48 -11.948 1.868 -21.678 1.00 40.31 C ATOM 703 CE1 PHE A 48 -13.595 -0.127 -20.722 1.00 71.01 C ATOM 704 CE2 PHE A 48 -12.193 1.767 -20.321 1.00 42.35 C ATOM 705 CZ PHE A 48 -13.017 0.768 -19.843 1.00 23.41 C ATOM 0 H PHE A 48 -9.941 1.748 -25.078 1.00 64.33 H new ATOM 0 HA PHE A 48 -11.055 -0.682 -23.828 1.00 75.02 H new ATOM 0 HB2 PHE A 48 -11.958 2.114 -24.274 1.00 34.11 H new ATOM 0 HB3 PHE A 48 -13.176 0.894 -24.589 1.00 34.11 H new ATOM 0 HD1 PHE A 48 -13.800 -0.724 -22.760 1.00 73.45 H new ATOM 0 HD2 PHE A 48 -11.302 2.651 -22.047 1.00 40.31 H new ATOM 0 HE1 PHE A 48 -14.241 -0.909 -20.351 1.00 71.01 H new ATOM 0 HE2 PHE A 48 -11.740 2.469 -19.636 1.00 42.35 H new ATOM 0 HZ PHE A 48 -13.209 0.686 -18.783 1.00 23.41 H new ATOM 715 N TYR A 49 -12.075 -1.684 -25.866 1.00 44.30 N ATOM 716 CA TYR A 49 -12.497 -2.361 -27.086 1.00 22.50 C ATOM 717 C TYR A 49 -13.456 -3.505 -26.770 1.00 13.31 C ATOM 718 O TYR A 49 -13.179 -4.342 -25.911 1.00 55.43 O ATOM 719 CB TYR A 49 -11.281 -2.896 -27.844 1.00 62.23 C ATOM 720 CG TYR A 49 -10.189 -3.424 -26.942 1.00 25.12 C ATOM 721 CD1 TYR A 49 -10.267 -4.700 -26.396 1.00 54.41 C ATOM 722 CD2 TYR A 49 -9.078 -2.648 -26.634 1.00 54.50 C ATOM 723 CE1 TYR A 49 -9.272 -5.186 -25.570 1.00 73.15 C ATOM 724 CE2 TYR A 49 -8.078 -3.126 -25.811 1.00 21.34 C ATOM 725 CZ TYR A 49 -8.179 -4.396 -25.281 1.00 54.12 C ATOM 726 OH TYR A 49 -7.186 -4.876 -24.459 1.00 45.13 O ATOM 0 H TYR A 49 -12.200 -2.232 -25.015 1.00 44.30 H new ATOM 0 HA TYR A 49 -13.017 -1.636 -27.712 1.00 22.50 H new ATOM 0 HB2 TYR A 49 -11.603 -3.692 -28.515 1.00 62.23 H new ATOM 0 HB3 TYR A 49 -10.873 -2.100 -28.467 1.00 62.23 H new ATOM 0 HD1 TYR A 49 -11.120 -5.322 -26.621 1.00 54.41 H new ATOM 0 HD2 TYR A 49 -8.995 -1.653 -27.046 1.00 54.50 H new ATOM 0 HE1 TYR A 49 -9.350 -6.179 -25.153 1.00 73.15 H new ATOM 0 HE2 TYR A 49 -7.221 -2.509 -25.583 1.00 21.34 H new ATOM 0 HH TYR A 49 -6.488 -4.196 -24.358 1.00 45.13 H new ATOM 736 N GLU A 50 -14.585 -3.532 -27.471 1.00 71.44 N ATOM 737 CA GLU A 50 -15.586 -4.573 -27.266 1.00 12.52 C ATOM 738 C GLU A 50 -15.382 -5.725 -28.245 1.00 32.22 C ATOM 739 O GLU A 50 -16.216 -5.968 -29.117 1.00 53.13 O ATOM 740 CB GLU A 50 -16.994 -3.995 -27.427 1.00 31.32 C ATOM 741 CG GLU A 50 -17.522 -3.320 -26.172 1.00 51.24 C ATOM 742 CD GLU A 50 -16.481 -2.449 -25.496 1.00 62.23 C ATOM 743 OE1 GLU A 50 -15.941 -1.543 -26.165 1.00 62.34 O ATOM 744 OE2 GLU A 50 -16.206 -2.673 -24.299 1.00 63.42 O ATOM 0 H GLU A 50 -14.829 -2.846 -28.185 1.00 71.44 H new ATOM 0 HA GLU A 50 -15.472 -4.957 -26.252 1.00 12.52 H new ATOM 0 HB2 GLU A 50 -16.990 -3.273 -28.244 1.00 31.32 H new ATOM 0 HB3 GLU A 50 -17.676 -4.796 -27.713 1.00 31.32 H new ATOM 0 HG2 GLU A 50 -18.389 -2.711 -26.429 1.00 51.24 H new ATOM 0 HG3 GLU A 50 -17.864 -4.081 -25.471 1.00 51.24 H new ATOM 751 N TYR A 51 -14.267 -6.431 -28.094 1.00 34.44 N ATOM 752 CA TYR A 51 -13.951 -7.557 -28.965 1.00 53.44 C ATOM 753 C TYR A 51 -12.571 -8.123 -28.646 1.00 11.45 C ATOM 754 O TYR A 51 -11.955 -7.757 -27.644 1.00 41.42 O ATOM 755 CB TYR A 51 -14.010 -7.125 -30.432 1.00 35.03 C ATOM 756 CG TYR A 51 -15.048 -7.870 -31.241 1.00 13.34 C ATOM 757 CD1 TYR A 51 -15.155 -9.253 -31.166 1.00 13.14 C ATOM 758 CD2 TYR A 51 -15.923 -7.190 -32.079 1.00 41.44 C ATOM 759 CE1 TYR A 51 -16.101 -9.937 -31.904 1.00 35.24 C ATOM 760 CE2 TYR A 51 -16.873 -7.866 -32.820 1.00 12.41 C ATOM 761 CZ TYR A 51 -16.958 -9.239 -32.729 1.00 73.30 C ATOM 762 OH TYR A 51 -17.903 -9.917 -33.465 1.00 32.23 O ATOM 0 H TYR A 51 -13.567 -6.243 -27.376 1.00 34.44 H new ATOM 0 HA TYR A 51 -14.692 -8.337 -28.791 1.00 53.44 H new ATOM 0 HB2 TYR A 51 -14.222 -6.057 -30.479 1.00 35.03 H new ATOM 0 HB3 TYR A 51 -13.031 -7.276 -30.886 1.00 35.03 H new ATOM 0 HD1 TYR A 51 -14.487 -9.803 -30.520 1.00 13.14 H new ATOM 0 HD2 TYR A 51 -15.859 -6.114 -32.152 1.00 41.44 H new ATOM 0 HE1 TYR A 51 -16.169 -11.013 -31.835 1.00 35.24 H new ATOM 0 HE2 TYR A 51 -17.545 -7.322 -33.467 1.00 12.41 H new ATOM 0 HH TYR A 51 -18.426 -9.278 -33.993 1.00 32.23 H new ATOM 772 N ILE A 52 -12.092 -9.017 -29.504 1.00 13.22 N ATOM 773 CA ILE A 52 -10.785 -9.633 -29.315 1.00 2.44 C ATOM 774 C ILE A 52 -9.679 -8.582 -29.302 1.00 71.55 C ATOM 775 O ILE A 52 -9.830 -7.501 -29.869 1.00 14.13 O ATOM 776 CB ILE A 52 -10.484 -10.666 -30.417 1.00 12.53 C ATOM 777 CG1 ILE A 52 -9.266 -11.509 -30.037 1.00 24.23 C ATOM 778 CG2 ILE A 52 -10.257 -9.967 -31.749 1.00 72.33 C ATOM 779 CD1 ILE A 52 -9.391 -12.964 -30.431 1.00 71.04 C ATOM 0 H ILE A 52 -12.590 -9.331 -30.337 1.00 13.22 H new ATOM 0 HA ILE A 52 -10.812 -10.141 -28.351 1.00 2.44 H new ATOM 0 HB ILE A 52 -11.343 -11.329 -30.518 1.00 12.53 H new ATOM 0 HG12 ILE A 52 -8.380 -11.087 -30.512 1.00 24.23 H new ATOM 0 HG13 ILE A 52 -9.112 -11.445 -28.960 1.00 24.23 H new ATOM 0 HG21 ILE A 52 -10.045 -10.710 -32.518 1.00 72.33 H new ATOM 0 HG22 ILE A 52 -11.151 -9.406 -32.022 1.00 72.33 H new ATOM 0 HG23 ILE A 52 -9.412 -9.284 -31.662 1.00 72.33 H new ATOM 0 HD11 ILE A 52 -8.491 -13.501 -30.131 1.00 71.04 H new ATOM 0 HD12 ILE A 52 -10.257 -13.402 -29.935 1.00 71.04 H new ATOM 0 HD13 ILE A 52 -9.515 -13.039 -31.511 1.00 71.04 H new ATOM 791 N ASN A 53 -8.566 -8.910 -28.654 1.00 72.41 N ATOM 792 CA ASN A 53 -7.433 -7.996 -28.569 1.00 55.32 C ATOM 793 C ASN A 53 -6.933 -7.618 -29.960 1.00 74.44 C ATOM 794 O ASN A 53 -6.342 -6.555 -30.152 1.00 33.51 O ATOM 795 CB ASN A 53 -6.299 -8.630 -27.762 1.00 1.53 C ATOM 796 CG ASN A 53 -5.423 -7.594 -27.084 1.00 0.31 C ATOM 797 OD1 ASN A 53 -5.681 -6.393 -27.172 1.00 22.12 O ATOM 798 ND2 ASN A 53 -4.380 -8.055 -26.403 1.00 14.01 N ATOM 0 H ASN A 53 -8.425 -9.802 -28.180 1.00 72.41 H new ATOM 0 HA ASN A 53 -7.767 -7.090 -28.064 1.00 55.32 H new ATOM 0 HB2 ASN A 53 -6.721 -9.295 -27.008 1.00 1.53 H new ATOM 0 HB3 ASN A 53 -5.686 -9.244 -28.422 1.00 1.53 H new ATOM 0 HD21 ASN A 53 -3.755 -7.405 -25.926 1.00 14.01 H new ATOM 0 HD22 ASN A 53 -4.204 -9.059 -26.357 1.00 14.01 H new ATOM 805 N TYR A 54 -7.175 -8.496 -30.928 1.00 12.12 N ATOM 806 CA TYR A 54 -6.748 -8.256 -32.301 1.00 72.32 C ATOM 807 C TYR A 54 -7.918 -8.404 -33.269 1.00 71.22 C ATOM 808 O TYR A 54 -7.887 -9.234 -34.177 1.00 21.34 O ATOM 809 CB TYR A 54 -5.628 -9.225 -32.686 1.00 13.34 C ATOM 810 CG TYR A 54 -5.936 -10.668 -32.357 1.00 13.03 C ATOM 811 CD1 TYR A 54 -5.774 -11.156 -31.066 1.00 35.50 C ATOM 812 CD2 TYR A 54 -6.388 -11.543 -33.336 1.00 72.34 C ATOM 813 CE1 TYR A 54 -6.054 -12.475 -30.761 1.00 10.42 C ATOM 814 CE2 TYR A 54 -6.672 -12.862 -33.040 1.00 64.41 C ATOM 815 CZ TYR A 54 -6.503 -13.323 -31.751 1.00 63.41 C ATOM 816 OH TYR A 54 -6.783 -14.637 -31.452 1.00 64.12 O ATOM 0 H TYR A 54 -7.664 -9.380 -30.787 1.00 12.12 H new ATOM 0 HA TYR A 54 -6.374 -7.234 -32.365 1.00 72.32 H new ATOM 0 HB2 TYR A 54 -5.435 -9.138 -33.755 1.00 13.34 H new ATOM 0 HB3 TYR A 54 -4.713 -8.931 -32.172 1.00 13.34 H new ATOM 0 HD1 TYR A 54 -5.424 -10.494 -30.288 1.00 35.50 H new ATOM 0 HD2 TYR A 54 -6.520 -11.186 -34.347 1.00 72.34 H new ATOM 0 HE1 TYR A 54 -5.922 -12.839 -29.753 1.00 10.42 H new ATOM 0 HE2 TYR A 54 -7.024 -13.528 -33.813 1.00 64.41 H new ATOM 0 HH TYR A 54 -7.090 -15.098 -32.260 1.00 64.12 H new ATOM 826 N GLY A 55 -8.951 -7.591 -33.068 1.00 43.21 N ATOM 827 CA GLY A 55 -10.117 -7.646 -33.930 1.00 41.51 C ATOM 828 C GLY A 55 -11.345 -7.037 -33.283 1.00 32.30 C ATOM 829 O GLY A 55 -12.349 -7.718 -33.078 1.00 30.31 O ATOM 0 H GLY A 55 -9.001 -6.895 -32.324 1.00 43.21 H new ATOM 0 HA2 GLY A 55 -9.902 -7.121 -34.861 1.00 41.51 H new ATOM 0 HA3 GLY A 55 -10.324 -8.684 -34.190 1.00 41.51 H new ATOM 833 N GLY A 56 -11.266 -5.750 -32.959 1.00 24.25 N ATOM 834 CA GLY A 56 -12.386 -5.072 -32.332 1.00 63.43 C ATOM 835 C GLY A 56 -12.300 -3.565 -32.467 1.00 22.02 C ATOM 836 O GLY A 56 -11.368 -3.042 -33.078 1.00 0.32 O ATOM 0 H GLY A 56 -10.446 -5.165 -33.119 1.00 24.25 H new ATOM 0 HA2 GLY A 56 -13.316 -5.421 -32.781 1.00 63.43 H new ATOM 0 HA3 GLY A 56 -12.422 -5.338 -31.275 1.00 63.43 H new ATOM 840 N ARG A 57 -13.275 -2.865 -31.896 1.00 60.22 N ATOM 841 CA ARG A 57 -13.307 -1.409 -31.958 1.00 11.11 C ATOM 842 C ARG A 57 -12.348 -0.800 -30.939 1.00 62.33 C ATOM 843 O ARG A 57 -12.622 -0.796 -29.739 1.00 24.02 O ATOM 844 CB ARG A 57 -14.727 -0.898 -31.706 1.00 41.21 C ATOM 845 CG ARG A 57 -15.349 -1.432 -30.426 1.00 65.22 C ATOM 846 CD ARG A 57 -15.495 -0.339 -29.379 1.00 65.02 C ATOM 847 NE ARG A 57 -16.711 -0.499 -28.586 1.00 65.34 N ATOM 848 CZ ARG A 57 -17.219 0.459 -27.820 1.00 34.55 C ATOM 849 NH1 ARG A 57 -16.621 1.639 -27.743 1.00 2.03 N ATOM 850 NH2 ARG A 57 -18.330 0.237 -27.128 1.00 21.41 N ATOM 0 H ARG A 57 -14.053 -3.283 -31.385 1.00 60.22 H new ATOM 0 HA ARG A 57 -12.990 -1.106 -32.956 1.00 11.11 H new ATOM 0 HB2 ARG A 57 -14.710 0.191 -31.665 1.00 41.21 H new ATOM 0 HB3 ARG A 57 -15.359 -1.175 -32.550 1.00 41.21 H new ATOM 0 HG2 ARG A 57 -16.327 -1.859 -30.646 1.00 65.22 H new ATOM 0 HG3 ARG A 57 -14.732 -2.238 -30.029 1.00 65.22 H new ATOM 0 HD2 ARG A 57 -14.628 -0.351 -28.719 1.00 65.02 H new ATOM 0 HD3 ARG A 57 -15.508 0.634 -29.870 1.00 65.02 H new ATOM 0 HE ARG A 57 -17.196 -1.395 -28.623 1.00 65.34 H new ATOM 0 HH11 ARG A 57 -15.767 1.814 -28.273 1.00 2.03 H new ATOM 0 HH12 ARG A 57 -17.014 2.373 -27.153 1.00 2.03 H new ATOM 0 HH21 ARG A 57 -18.794 -0.670 -27.185 1.00 21.41 H new ATOM 0 HH22 ARG A 57 -18.720 0.973 -26.540 1.00 21.41 H new ATOM 864 N TYR A 58 -11.223 -0.288 -31.426 1.00 72.13 N ATOM 865 CA TYR A 58 -10.222 0.320 -30.558 1.00 42.45 C ATOM 866 C TYR A 58 -10.639 1.730 -30.150 1.00 43.14 C ATOM 867 O TYR A 58 -10.967 2.562 -30.997 1.00 24.32 O ATOM 868 CB TYR A 58 -8.864 0.362 -31.262 1.00 32.41 C ATOM 869 CG TYR A 58 -7.862 1.274 -30.592 1.00 13.33 C ATOM 870 CD1 TYR A 58 -7.697 1.264 -29.212 1.00 75.02 C ATOM 871 CD2 TYR A 58 -7.080 2.147 -31.338 1.00 63.44 C ATOM 872 CE1 TYR A 58 -6.784 2.097 -28.596 1.00 21.23 C ATOM 873 CE2 TYR A 58 -6.163 2.982 -30.731 1.00 24.05 C ATOM 874 CZ TYR A 58 -6.019 2.954 -29.359 1.00 63.21 C ATOM 875 OH TYR A 58 -5.107 3.784 -28.749 1.00 25.11 O ATOM 0 H TYR A 58 -10.982 -0.282 -32.417 1.00 72.13 H new ATOM 0 HA TYR A 58 -10.139 -0.290 -29.658 1.00 42.45 H new ATOM 0 HB2 TYR A 58 -8.454 -0.647 -31.302 1.00 32.41 H new ATOM 0 HB3 TYR A 58 -9.008 0.689 -32.292 1.00 32.41 H new ATOM 0 HD1 TYR A 58 -8.293 0.593 -28.611 1.00 75.02 H new ATOM 0 HD2 TYR A 58 -7.191 2.173 -32.412 1.00 63.44 H new ATOM 0 HE1 TYR A 58 -6.670 2.077 -27.522 1.00 21.23 H new ATOM 0 HE2 TYR A 58 -5.562 3.653 -31.327 1.00 24.05 H new ATOM 0 HH TYR A 58 -4.650 4.323 -29.428 1.00 25.11 H new ATOM 885 N TRP A 59 -10.623 1.991 -28.848 1.00 63.34 N ATOM 886 CA TRP A 59 -10.998 3.300 -28.326 1.00 73.15 C ATOM 887 C TRP A 59 -10.330 3.562 -26.981 1.00 63.05 C ATOM 888 O TRP A 59 -10.755 3.035 -25.953 1.00 53.43 O ATOM 889 CB TRP A 59 -12.518 3.397 -28.182 1.00 41.32 C ATOM 890 CG TRP A 59 -12.953 4.359 -27.118 1.00 31.42 C ATOM 891 CD1 TRP A 59 -12.603 5.674 -27.009 1.00 11.21 C ATOM 892 CD2 TRP A 59 -13.818 4.078 -26.011 1.00 44.45 C ATOM 893 NE1 TRP A 59 -13.198 6.229 -25.901 1.00 70.23 N ATOM 894 CE2 TRP A 59 -13.949 5.271 -25.273 1.00 21.20 C ATOM 895 CE3 TRP A 59 -14.495 2.937 -25.574 1.00 11.31 C ATOM 896 CZ2 TRP A 59 -14.729 5.351 -24.122 1.00 43.34 C ATOM 897 CZ3 TRP A 59 -15.268 3.019 -24.432 1.00 33.34 C ATOM 898 CH2 TRP A 59 -15.381 4.219 -23.717 1.00 22.32 C ATOM 0 H TRP A 59 -10.354 1.314 -28.134 1.00 63.34 H new ATOM 0 HA TRP A 59 -10.657 4.057 -29.033 1.00 73.15 H new ATOM 0 HB2 TRP A 59 -12.948 3.703 -29.136 1.00 41.32 H new ATOM 0 HB3 TRP A 59 -12.918 2.409 -27.954 1.00 41.32 H new ATOM 0 HD1 TRP A 59 -11.954 6.201 -27.693 1.00 11.21 H new ATOM 0 HE1 TRP A 59 -13.097 7.197 -25.596 1.00 70.23 H new ATOM 0 HE3 TRP A 59 -14.416 2.008 -26.119 1.00 11.31 H new ATOM 0 HZ2 TRP A 59 -14.816 6.274 -23.569 1.00 43.34 H new ATOM 0 HZ3 TRP A 59 -15.795 2.143 -24.084 1.00 33.34 H new ATOM 0 HH2 TRP A 59 -15.995 4.250 -22.829 1.00 22.32 H new ATOM 909 N ASP A 60 -9.282 4.378 -26.996 1.00 2.32 N ATOM 910 CA ASP A 60 -8.555 4.711 -25.776 1.00 52.20 C ATOM 911 C ASP A 60 -8.945 6.098 -25.273 1.00 24.43 C ATOM 912 O ASP A 60 -9.443 6.929 -26.033 1.00 71.52 O ATOM 913 CB ASP A 60 -7.047 4.649 -26.022 1.00 40.45 C ATOM 914 CG ASP A 60 -6.603 5.584 -27.130 1.00 44.04 C ATOM 915 OD1 ASP A 60 -7.083 5.422 -28.271 1.00 71.33 O ATOM 916 OD2 ASP A 60 -5.774 6.477 -26.857 1.00 4.33 O ATOM 0 H ASP A 60 -8.917 4.821 -27.839 1.00 2.32 H new ATOM 0 HA ASP A 60 -8.820 3.979 -25.013 1.00 52.20 H new ATOM 0 HB2 ASP A 60 -6.521 4.904 -25.102 1.00 40.45 H new ATOM 0 HB3 ASP A 60 -6.765 3.628 -26.277 1.00 40.45 H new ATOM 921 N LEU A 61 -8.715 6.341 -23.987 1.00 70.41 N ATOM 922 CA LEU A 61 -9.043 7.627 -23.381 1.00 64.51 C ATOM 923 C LEU A 61 -8.265 7.831 -22.085 1.00 15.33 C ATOM 924 O LEU A 61 -7.779 6.875 -21.483 1.00 64.01 O ATOM 925 CB LEU A 61 -10.545 7.716 -23.108 1.00 31.11 C ATOM 926 CG LEU A 61 -11.041 7.007 -21.847 1.00 54.21 C ATOM 927 CD1 LEU A 61 -11.633 8.010 -20.869 1.00 0.21 C ATOM 928 CD2 LEU A 61 -12.065 5.939 -22.204 1.00 13.45 C ATOM 0 H LEU A 61 -8.303 5.665 -23.344 1.00 70.41 H new ATOM 0 HA LEU A 61 -8.761 8.414 -24.080 1.00 64.51 H new ATOM 0 HB2 LEU A 61 -10.820 8.769 -23.041 1.00 31.11 H new ATOM 0 HB3 LEU A 61 -11.075 7.302 -23.966 1.00 31.11 H new ATOM 0 HG LEU A 61 -10.191 6.521 -21.368 1.00 54.21 H new ATOM 0 HD11 LEU A 61 -11.981 7.488 -19.978 1.00 0.21 H new ATOM 0 HD12 LEU A 61 -10.872 8.738 -20.589 1.00 0.21 H new ATOM 0 HD13 LEU A 61 -12.472 8.524 -21.338 1.00 0.21 H new ATOM 0 HD21 LEU A 61 -12.407 5.445 -21.295 1.00 13.45 H new ATOM 0 HD22 LEU A 61 -12.914 6.402 -22.707 1.00 13.45 H new ATOM 0 HD23 LEU A 61 -11.608 5.204 -22.867 1.00 13.45 H new ATOM 940 N GLY A 62 -8.155 9.086 -21.659 1.00 11.05 N ATOM 941 CA GLY A 62 -7.438 9.394 -20.435 1.00 30.51 C ATOM 942 C GLY A 62 -8.362 9.540 -19.242 1.00 72.44 C ATOM 943 O GLY A 62 -9.522 9.127 -19.274 1.00 63.23 O ATOM 0 H GLY A 62 -8.550 9.895 -22.140 1.00 11.05 H new ATOM 0 HA2 GLY A 62 -6.713 8.605 -20.234 1.00 30.51 H new ATOM 0 HA3 GLY A 62 -6.875 10.318 -20.570 1.00 30.51 H new ATOM 947 N PRO A 63 -7.846 10.138 -18.159 1.00 13.52 N ATOM 948 CA PRO A 63 -8.616 10.351 -16.930 1.00 33.55 C ATOM 949 C PRO A 63 -9.912 11.114 -17.181 1.00 41.25 C ATOM 950 O PRO A 63 -9.907 12.337 -17.319 1.00 24.33 O ATOM 951 CB PRO A 63 -7.669 11.177 -16.056 1.00 54.30 C ATOM 952 CG PRO A 63 -6.307 10.864 -16.572 1.00 34.32 C ATOM 953 CD PRO A 63 -6.472 10.655 -18.050 1.00 43.23 C ATOM 0 HA PRO A 63 -8.925 9.410 -16.476 1.00 33.55 H new ATOM 0 HB2 PRO A 63 -7.887 12.242 -16.134 1.00 54.30 H new ATOM 0 HB3 PRO A 63 -7.765 10.908 -15.004 1.00 54.30 H new ATOM 0 HG2 PRO A 63 -5.613 11.679 -16.367 1.00 34.32 H new ATOM 0 HG3 PRO A 63 -5.902 9.973 -16.093 1.00 34.32 H new ATOM 0 HD2 PRO A 63 -6.345 11.584 -18.606 1.00 43.23 H new ATOM 0 HD3 PRO A 63 -5.742 9.947 -18.442 1.00 43.23 H new ATOM 961 N GLY A 64 -11.022 10.384 -17.241 1.00 1.52 N ATOM 962 CA GLY A 64 -12.310 11.011 -17.476 1.00 23.22 C ATOM 963 C GLY A 64 -13.469 10.079 -17.185 1.00 13.14 C ATOM 964 O GLY A 64 -13.301 8.861 -17.152 1.00 30.41 O ATOM 0 H GLY A 64 -11.052 9.370 -17.131 1.00 1.52 H new ATOM 0 HA2 GLY A 64 -12.397 11.900 -16.852 1.00 23.22 H new ATOM 0 HA3 GLY A 64 -12.366 11.343 -18.513 1.00 23.22 H new ATOM 968 N GLU A 65 -14.649 10.654 -16.971 1.00 60.41 N ATOM 969 CA GLU A 65 -15.840 9.865 -16.678 1.00 51.14 C ATOM 970 C GLU A 65 -16.690 9.678 -17.932 1.00 32.12 C ATOM 971 O GLU A 65 -17.255 10.636 -18.460 1.00 74.54 O ATOM 972 CB GLU A 65 -16.669 10.539 -15.583 1.00 3.31 C ATOM 973 CG GLU A 65 -17.885 9.734 -15.157 1.00 41.10 C ATOM 974 CD GLU A 65 -19.172 10.530 -15.246 1.00 53.34 C ATOM 975 OE1 GLU A 65 -19.125 11.759 -15.028 1.00 14.11 O ATOM 976 OE2 GLU A 65 -20.226 9.925 -15.534 1.00 41.43 O ATOM 0 H GLU A 65 -14.805 11.662 -16.995 1.00 60.41 H new ATOM 0 HA GLU A 65 -15.518 8.884 -16.328 1.00 51.14 H new ATOM 0 HB2 GLU A 65 -16.035 10.711 -14.713 1.00 3.31 H new ATOM 0 HB3 GLU A 65 -16.997 11.516 -15.937 1.00 3.31 H new ATOM 0 HG2 GLU A 65 -17.967 8.847 -15.785 1.00 41.10 H new ATOM 0 HG3 GLU A 65 -17.746 9.388 -14.133 1.00 41.10 H new ATOM 983 N TYR A 66 -16.775 8.439 -18.402 1.00 31.50 N ATOM 984 CA TYR A 66 -17.553 8.125 -19.595 1.00 10.13 C ATOM 985 C TYR A 66 -18.950 7.638 -19.222 1.00 23.34 C ATOM 986 O TYR A 66 -19.112 6.814 -18.321 1.00 12.40 O ATOM 987 CB TYR A 66 -16.837 7.064 -20.432 1.00 31.22 C ATOM 988 CG TYR A 66 -17.748 6.337 -21.395 1.00 63.14 C ATOM 989 CD1 TYR A 66 -18.008 6.853 -22.659 1.00 32.20 C ATOM 990 CD2 TYR A 66 -18.348 5.135 -21.042 1.00 74.11 C ATOM 991 CE1 TYR A 66 -18.840 6.193 -23.543 1.00 31.44 C ATOM 992 CE2 TYR A 66 -19.180 4.467 -21.920 1.00 13.13 C ATOM 993 CZ TYR A 66 -19.423 5.000 -23.169 1.00 33.05 C ATOM 994 OH TYR A 66 -20.253 4.339 -24.045 1.00 64.50 O ATOM 0 H TYR A 66 -16.315 7.635 -17.975 1.00 31.50 H new ATOM 0 HA TYR A 66 -17.651 9.037 -20.184 1.00 10.13 H new ATOM 0 HB2 TYR A 66 -16.032 7.538 -20.994 1.00 31.22 H new ATOM 0 HB3 TYR A 66 -16.374 6.338 -19.764 1.00 31.22 H new ATOM 0 HD1 TYR A 66 -17.552 7.786 -22.955 1.00 32.20 H new ATOM 0 HD2 TYR A 66 -18.161 4.715 -20.065 1.00 74.11 H new ATOM 0 HE1 TYR A 66 -19.033 6.609 -24.521 1.00 31.44 H new ATOM 0 HE2 TYR A 66 -19.638 3.533 -21.630 1.00 13.13 H new ATOM 0 HH TYR A 66 -20.580 3.515 -23.627 1.00 64.50 H new ATOM 1004 N SER A 67 -19.956 8.152 -19.922 1.00 4.33 N ATOM 1005 CA SER A 67 -21.340 7.773 -19.663 1.00 63.03 C ATOM 1006 C SER A 67 -22.226 8.102 -20.861 1.00 22.11 C ATOM 1007 O SER A 67 -23.287 8.707 -20.714 1.00 15.30 O ATOM 1008 CB SER A 67 -21.862 8.488 -18.416 1.00 54.40 C ATOM 1009 OG SER A 67 -22.076 9.866 -18.670 1.00 41.02 O ATOM 0 H SER A 67 -19.839 8.832 -20.673 1.00 4.33 H new ATOM 0 HA SER A 67 -21.371 6.696 -19.495 1.00 63.03 H new ATOM 0 HB2 SER A 67 -22.794 8.026 -18.091 1.00 54.40 H new ATOM 0 HB3 SER A 67 -21.148 8.372 -17.601 1.00 54.40 H new ATOM 0 HG SER A 67 -22.830 9.972 -19.287 1.00 41.02 H new ATOM 1015 N SER A 68 -21.781 7.698 -22.047 1.00 0.33 N ATOM 1016 CA SER A 68 -22.531 7.953 -23.271 1.00 65.23 C ATOM 1017 C SER A 68 -23.579 6.869 -23.502 1.00 20.42 C ATOM 1018 O SER A 68 -23.641 5.882 -22.768 1.00 4.22 O ATOM 1019 CB SER A 68 -21.582 8.024 -24.470 1.00 21.35 C ATOM 1020 OG SER A 68 -20.640 9.071 -24.313 1.00 21.31 O ATOM 0 H SER A 68 -20.906 7.193 -22.186 1.00 0.33 H new ATOM 0 HA SER A 68 -23.041 8.910 -23.162 1.00 65.23 H new ATOM 0 HB2 SER A 68 -21.059 7.074 -24.581 1.00 21.35 H new ATOM 0 HB3 SER A 68 -22.156 8.181 -25.383 1.00 21.35 H new ATOM 0 HG SER A 68 -19.773 8.695 -24.054 1.00 21.31 H new ATOM 1026 N VAL A 69 -24.403 7.059 -24.527 1.00 42.44 N ATOM 1027 CA VAL A 69 -25.449 6.098 -24.857 1.00 3.52 C ATOM 1028 C VAL A 69 -25.821 6.176 -26.333 1.00 54.41 C ATOM 1029 O VAL A 69 -26.890 5.720 -26.738 1.00 21.20 O ATOM 1030 CB VAL A 69 -26.712 6.330 -24.007 1.00 10.52 C ATOM 1031 CG1 VAL A 69 -27.455 7.570 -24.481 1.00 42.22 C ATOM 1032 CG2 VAL A 69 -27.616 5.108 -24.051 1.00 62.45 C ATOM 0 H VAL A 69 -24.367 7.870 -25.144 1.00 42.44 H new ATOM 0 HA VAL A 69 -25.050 5.108 -24.638 1.00 3.52 H new ATOM 0 HB VAL A 69 -26.408 6.491 -22.973 1.00 10.52 H new ATOM 0 HG11 VAL A 69 -28.344 7.718 -23.868 1.00 42.22 H new ATOM 0 HG12 VAL A 69 -26.805 8.440 -24.392 1.00 42.22 H new ATOM 0 HG13 VAL A 69 -27.749 7.442 -25.523 1.00 42.22 H new ATOM 0 HG21 VAL A 69 -28.503 5.290 -23.445 1.00 62.45 H new ATOM 0 HG22 VAL A 69 -27.914 4.913 -25.081 1.00 62.45 H new ATOM 0 HG23 VAL A 69 -27.079 4.244 -23.659 1.00 62.45 H new ATOM 1042 N GLU A 70 -24.932 6.758 -27.132 1.00 74.44 N ATOM 1043 CA GLU A 70 -25.169 6.895 -28.565 1.00 0.33 C ATOM 1044 C GLU A 70 -23.990 7.583 -29.247 1.00 61.23 C ATOM 1045 O GLU A 70 -24.162 8.303 -30.231 1.00 10.15 O ATOM 1046 CB GLU A 70 -26.453 7.689 -28.818 1.00 65.41 C ATOM 1047 CG GLU A 70 -26.569 8.945 -27.972 1.00 3.14 C ATOM 1048 CD GLU A 70 -27.345 10.047 -28.666 1.00 70.14 C ATOM 1049 OE1 GLU A 70 -28.361 9.733 -29.322 1.00 11.45 O ATOM 1050 OE2 GLU A 70 -26.937 11.222 -28.555 1.00 60.34 O ATOM 0 H GLU A 70 -24.043 7.142 -26.812 1.00 74.44 H new ATOM 0 HA GLU A 70 -25.279 5.896 -28.987 1.00 0.33 H new ATOM 0 HB2 GLU A 70 -26.497 7.965 -29.871 1.00 65.41 H new ATOM 0 HB3 GLU A 70 -27.312 7.047 -28.620 1.00 65.41 H new ATOM 0 HG2 GLU A 70 -27.058 8.700 -27.029 1.00 3.14 H new ATOM 0 HG3 GLU A 70 -25.570 9.307 -27.728 1.00 3.14 H new ATOM 1057 N SER A 71 -22.792 7.355 -28.718 1.00 12.13 N ATOM 1058 CA SER A 71 -21.585 7.956 -29.272 1.00 64.52 C ATOM 1059 C SER A 71 -20.357 7.113 -28.940 1.00 30.23 C ATOM 1060 O SER A 71 -19.227 7.598 -28.985 1.00 61.32 O ATOM 1061 CB SER A 71 -21.403 9.376 -28.735 1.00 2.24 C ATOM 1062 OG SER A 71 -20.470 10.102 -29.516 1.00 62.14 O ATOM 0 H SER A 71 -22.632 6.758 -27.906 1.00 12.13 H new ATOM 0 HA SER A 71 -21.694 7.997 -30.356 1.00 64.52 H new ATOM 0 HB2 SER A 71 -22.362 9.894 -28.735 1.00 2.24 H new ATOM 0 HB3 SER A 71 -21.062 9.336 -27.700 1.00 2.24 H new ATOM 0 HG SER A 71 -19.667 9.558 -29.657 1.00 62.14 H new ATOM 1068 N ALA A 72 -20.589 5.848 -28.605 1.00 64.42 N ATOM 1069 CA ALA A 72 -19.503 4.936 -28.267 1.00 21.12 C ATOM 1070 C ALA A 72 -19.728 3.560 -28.885 1.00 53.31 C ATOM 1071 O ALA A 72 -19.174 2.563 -28.424 1.00 43.44 O ATOM 1072 CB ALA A 72 -19.362 4.821 -26.756 1.00 44.03 C ATOM 0 H ALA A 72 -21.519 5.432 -28.560 1.00 64.42 H new ATOM 0 HA ALA A 72 -18.579 5.343 -28.678 1.00 21.12 H new ATOM 0 HB1 ALA A 72 -18.548 4.137 -26.518 1.00 44.03 H new ATOM 0 HB2 ALA A 72 -19.146 5.803 -26.335 1.00 44.03 H new ATOM 0 HB3 ALA A 72 -20.291 4.441 -26.332 1.00 44.03 H new ATOM 1078 N GLY A 73 -20.547 3.514 -29.932 1.00 32.33 N ATOM 1079 CA GLY A 73 -20.832 2.255 -30.595 1.00 71.12 C ATOM 1080 C GLY A 73 -21.605 1.296 -29.712 1.00 73.10 C ATOM 1081 O GLY A 73 -21.109 0.862 -28.672 1.00 63.32 O ATOM 0 H GLY A 73 -21.018 4.326 -30.332 1.00 32.33 H new ATOM 0 HA2 GLY A 73 -21.403 2.448 -31.504 1.00 71.12 H new ATOM 0 HA3 GLY A 73 -19.895 1.788 -30.900 1.00 71.12 H new ATOM 1085 N ILE A 74 -22.824 0.966 -30.125 1.00 73.20 N ATOM 1086 CA ILE A 74 -23.667 0.053 -29.363 1.00 73.22 C ATOM 1087 C ILE A 74 -23.949 -1.222 -30.151 1.00 52.02 C ATOM 1088 O ILE A 74 -25.078 -1.490 -30.563 1.00 31.01 O ATOM 1089 CB ILE A 74 -25.005 0.711 -28.978 1.00 32.04 C ATOM 1090 CG1 ILE A 74 -24.758 2.051 -28.283 1.00 4.52 C ATOM 1091 CG2 ILE A 74 -25.812 -0.216 -28.081 1.00 13.44 C ATOM 1092 CD1 ILE A 74 -26.026 2.820 -27.983 1.00 25.12 C ATOM 0 H ILE A 74 -23.250 1.317 -30.983 1.00 73.20 H new ATOM 0 HA ILE A 74 -23.120 -0.198 -28.454 1.00 73.22 H new ATOM 0 HB ILE A 74 -25.578 0.895 -29.887 1.00 32.04 H new ATOM 0 HG12 ILE A 74 -24.221 1.874 -27.351 1.00 4.52 H new ATOM 0 HG13 ILE A 74 -24.112 2.663 -28.912 1.00 4.52 H new ATOM 0 HG21 ILE A 74 -26.755 0.263 -27.817 1.00 13.44 H new ATOM 0 HG22 ILE A 74 -26.014 -1.148 -28.609 1.00 13.44 H new ATOM 0 HG23 ILE A 74 -25.246 -0.428 -27.174 1.00 13.44 H new ATOM 0 HD11 ILE A 74 -25.774 3.759 -27.490 1.00 25.12 H new ATOM 0 HD12 ILE A 74 -26.554 3.029 -28.914 1.00 25.12 H new ATOM 0 HD13 ILE A 74 -26.665 2.227 -27.329 1.00 25.12 H new ATOM 1104 N PRO A 75 -22.900 -2.029 -30.366 1.00 23.34 N ATOM 1105 CA PRO A 75 -23.009 -3.291 -31.104 1.00 35.15 C ATOM 1106 C PRO A 75 -23.311 -4.473 -30.189 1.00 33.22 C ATOM 1107 O PRO A 75 -24.356 -5.113 -30.310 1.00 14.34 O ATOM 1108 CB PRO A 75 -21.628 -3.449 -31.743 1.00 61.23 C ATOM 1109 CG PRO A 75 -20.983 -2.115 -31.588 1.00 35.13 C ATOM 1110 CD PRO A 75 -21.525 -1.773 -29.904 1.00 13.43 C ATOM 0 HA PRO A 75 -23.827 -3.273 -31.824 1.00 35.15 H new ATOM 0 HB2 PRO A 75 -21.049 -4.228 -31.247 1.00 61.23 H new ATOM 0 HB3 PRO A 75 -21.708 -3.730 -32.793 1.00 61.23 H new ATOM 0 HG2 PRO A 75 -19.898 -2.152 -31.687 1.00 35.13 H new ATOM 0 HG3 PRO A 75 -21.344 -1.381 -32.309 1.00 35.13 H new ATOM 0 HD2 PRO A 75 -21.151 -2.458 -29.143 1.00 13.43 H new ATOM 0 HD3 PRO A 75 -21.332 -0.762 -29.546 1.00 13.43 H new ATOM 1118 N ASP A 76 -22.391 -4.758 -29.274 1.00 43.24 N ATOM 1119 CA ASP A 76 -22.559 -5.863 -28.338 1.00 14.44 C ATOM 1120 C ASP A 76 -21.393 -5.926 -27.357 1.00 23.42 C ATOM 1121 O ASP A 76 -20.232 -5.990 -27.761 1.00 35.13 O ATOM 1122 CB ASP A 76 -22.679 -7.187 -29.094 1.00 11.32 C ATOM 1123 CG ASP A 76 -23.928 -7.958 -28.716 1.00 31.42 C ATOM 1124 OD1 ASP A 76 -25.039 -7.470 -29.011 1.00 63.10 O ATOM 1125 OD2 ASP A 76 -23.795 -9.050 -28.124 1.00 31.22 O ATOM 0 H ASP A 76 -21.521 -4.238 -29.161 1.00 43.24 H new ATOM 0 HA ASP A 76 -23.476 -5.692 -27.774 1.00 14.44 H new ATOM 0 HB2 ASP A 76 -22.687 -6.990 -30.166 1.00 11.32 H new ATOM 0 HB3 ASP A 76 -21.801 -7.800 -28.889 1.00 11.32 H new ATOM 1130 N ASN A 77 -21.710 -5.908 -26.066 1.00 44.42 N ATOM 1131 CA ASN A 77 -20.687 -5.962 -25.027 1.00 54.43 C ATOM 1132 C ASN A 77 -20.172 -7.386 -24.845 1.00 11.03 C ATOM 1133 O ASN A 77 -20.220 -7.938 -23.746 1.00 34.43 O ATOM 1134 CB ASN A 77 -21.247 -5.436 -23.704 1.00 33.21 C ATOM 1135 CG ASN A 77 -20.217 -4.657 -22.909 1.00 32.52 C ATOM 1136 OD1 ASN A 77 -20.343 -3.446 -22.727 1.00 31.43 O ATOM 1137 ND2 ASN A 77 -19.191 -5.351 -22.431 1.00 64.31 N ATOM 0 H ASN A 77 -22.666 -5.856 -25.714 1.00 44.42 H new ATOM 0 HA ASN A 77 -19.854 -5.331 -25.338 1.00 54.43 H new ATOM 0 HB2 ASN A 77 -22.106 -4.796 -23.905 1.00 33.21 H new ATOM 0 HB3 ASN A 77 -21.606 -6.274 -23.106 1.00 33.21 H new ATOM 0 HD21 ASN A 77 -18.466 -4.881 -21.888 1.00 64.31 H new ATOM 0 HD22 ASN A 77 -19.128 -6.354 -22.607 1.00 64.31 H new ATOM 1144 N SER A 78 -19.679 -7.975 -25.929 1.00 44.45 N ATOM 1145 CA SER A 78 -19.157 -9.336 -25.890 1.00 50.22 C ATOM 1146 C SER A 78 -17.655 -9.350 -26.155 1.00 44.30 C ATOM 1147 O SER A 78 -17.147 -8.561 -26.953 1.00 62.42 O ATOM 1148 CB SER A 78 -19.876 -10.210 -26.920 1.00 1.14 C ATOM 1149 OG SER A 78 -19.398 -11.543 -26.879 1.00 63.24 O ATOM 0 H SER A 78 -19.630 -7.531 -26.846 1.00 44.45 H new ATOM 0 HA SER A 78 -19.336 -9.739 -24.893 1.00 50.22 H new ATOM 0 HB2 SER A 78 -20.949 -10.199 -26.726 1.00 1.14 H new ATOM 0 HB3 SER A 78 -19.728 -9.798 -27.918 1.00 1.14 H new ATOM 0 HG SER A 78 -19.874 -12.082 -27.545 1.00 63.24 H new ATOM 1155 N ILE A 79 -16.950 -10.251 -25.480 1.00 4.14 N ATOM 1156 CA ILE A 79 -15.506 -10.369 -25.642 1.00 41.21 C ATOM 1157 C ILE A 79 -14.822 -9.015 -25.481 1.00 32.31 C ATOM 1158 O ILE A 79 -13.799 -8.746 -26.111 1.00 34.03 O ATOM 1159 CB ILE A 79 -15.140 -10.955 -27.018 1.00 73.35 C ATOM 1160 CG1 ILE A 79 -16.110 -12.078 -27.393 1.00 14.31 C ATOM 1161 CG2 ILE A 79 -13.707 -11.466 -27.013 1.00 33.32 C ATOM 1162 CD1 ILE A 79 -15.804 -12.722 -28.727 1.00 4.42 C ATOM 0 H ILE A 79 -17.355 -10.910 -24.815 1.00 4.14 H new ATOM 0 HA ILE A 79 -15.156 -11.046 -24.863 1.00 41.21 H new ATOM 0 HB ILE A 79 -15.221 -10.165 -27.765 1.00 73.35 H new ATOM 0 HG12 ILE A 79 -16.086 -12.842 -26.616 1.00 14.31 H new ATOM 0 HG13 ILE A 79 -17.124 -11.679 -27.416 1.00 14.31 H new ATOM 0 HG21 ILE A 79 -13.464 -11.877 -27.993 1.00 33.32 H new ATOM 0 HG22 ILE A 79 -13.028 -10.644 -26.786 1.00 33.32 H new ATOM 0 HG23 ILE A 79 -13.601 -12.244 -26.257 1.00 33.32 H new ATOM 0 HD11 ILE A 79 -16.532 -13.509 -28.927 1.00 4.42 H new ATOM 0 HD12 ILE A 79 -15.857 -11.970 -29.515 1.00 4.42 H new ATOM 0 HD13 ILE A 79 -14.803 -13.152 -28.702 1.00 4.42 H new ATOM 1174 N SER A 80 -15.393 -8.167 -24.632 1.00 34.34 N ATOM 1175 CA SER A 80 -14.840 -6.840 -24.388 1.00 73.23 C ATOM 1176 C SER A 80 -13.707 -6.903 -23.369 1.00 44.43 C ATOM 1177 O SER A 80 -13.695 -7.762 -22.488 1.00 74.45 O ATOM 1178 CB SER A 80 -15.934 -5.891 -23.894 1.00 20.50 C ATOM 1179 OG SER A 80 -17.142 -6.091 -24.607 1.00 13.40 O ATOM 0 H SER A 80 -16.239 -8.375 -24.101 1.00 34.34 H new ATOM 0 HA SER A 80 -14.439 -6.462 -25.328 1.00 73.23 H new ATOM 0 HB2 SER A 80 -16.105 -6.051 -22.830 1.00 20.50 H new ATOM 0 HB3 SER A 80 -15.605 -4.859 -24.012 1.00 20.50 H new ATOM 0 HG SER A 80 -16.939 -6.396 -25.516 1.00 13.40 H new ATOM 1185 N SER A 81 -12.754 -5.985 -23.497 1.00 2.54 N ATOM 1186 CA SER A 81 -11.613 -5.936 -22.590 1.00 23.31 C ATOM 1187 C SER A 81 -10.946 -4.564 -22.628 1.00 35.33 C ATOM 1188 O SER A 81 -10.981 -3.872 -23.645 1.00 71.44 O ATOM 1189 CB SER A 81 -10.597 -7.020 -22.957 1.00 44.40 C ATOM 1190 OG SER A 81 -10.375 -7.901 -21.869 1.00 51.45 O ATOM 0 H SER A 81 -12.749 -5.265 -24.220 1.00 2.54 H new ATOM 0 HA SER A 81 -11.977 -6.115 -21.578 1.00 23.31 H new ATOM 0 HB2 SER A 81 -10.957 -7.584 -23.818 1.00 44.40 H new ATOM 0 HB3 SER A 81 -9.656 -6.556 -23.251 1.00 44.40 H new ATOM 0 HG SER A 81 -9.724 -8.585 -22.130 1.00 51.45 H new ATOM 1196 N PHE A 82 -10.340 -4.177 -21.510 1.00 61.24 N ATOM 1197 CA PHE A 82 -9.666 -2.888 -21.414 1.00 1.32 C ATOM 1198 C PHE A 82 -8.491 -2.959 -20.443 1.00 31.52 C ATOM 1199 O PHE A 82 -8.601 -3.535 -19.360 1.00 12.31 O ATOM 1200 CB PHE A 82 -10.650 -1.807 -20.962 1.00 50.42 C ATOM 1201 CG PHE A 82 -10.988 -1.876 -19.500 1.00 63.24 C ATOM 1202 CD1 PHE A 82 -11.694 -2.953 -18.989 1.00 61.35 C ATOM 1203 CD2 PHE A 82 -10.599 -0.865 -18.637 1.00 4.20 C ATOM 1204 CE1 PHE A 82 -12.007 -3.019 -17.645 1.00 25.31 C ATOM 1205 CE2 PHE A 82 -10.908 -0.926 -17.291 1.00 51.42 C ATOM 1206 CZ PHE A 82 -11.612 -2.005 -16.794 1.00 51.15 C ATOM 0 H PHE A 82 -10.302 -4.738 -20.659 1.00 61.24 H new ATOM 0 HA PHE A 82 -9.283 -2.632 -22.402 1.00 1.32 H new ATOM 0 HB2 PHE A 82 -10.227 -0.827 -21.183 1.00 50.42 H new ATOM 0 HB3 PHE A 82 -11.568 -1.897 -21.543 1.00 50.42 H new ATOM 0 HD1 PHE A 82 -12.003 -3.750 -19.649 1.00 61.35 H new ATOM 0 HD2 PHE A 82 -10.048 -0.019 -19.020 1.00 4.20 H new ATOM 0 HE1 PHE A 82 -12.560 -3.863 -17.260 1.00 25.31 H new ATOM 0 HE2 PHE A 82 -10.599 -0.131 -16.629 1.00 51.42 H new ATOM 0 HZ PHE A 82 -11.853 -2.056 -15.743 1.00 51.15 H new ATOM 1216 N ARG A 83 -7.367 -2.372 -20.839 1.00 42.12 N ATOM 1217 CA ARG A 83 -6.171 -2.370 -20.006 1.00 24.32 C ATOM 1218 C ARG A 83 -5.754 -0.945 -19.656 1.00 1.15 C ATOM 1219 O ARG A 83 -5.605 -0.098 -20.536 1.00 63.21 O ATOM 1220 CB ARG A 83 -5.024 -3.087 -20.721 1.00 61.10 C ATOM 1221 CG ARG A 83 -5.328 -4.538 -21.057 1.00 51.13 C ATOM 1222 CD ARG A 83 -5.084 -5.449 -19.865 1.00 33.14 C ATOM 1223 NE ARG A 83 -4.669 -6.788 -20.274 1.00 51.05 N ATOM 1224 CZ ARG A 83 -5.504 -7.700 -20.761 1.00 1.41 C ATOM 1225 NH1 ARG A 83 -6.792 -7.418 -20.898 1.00 12.42 N ATOM 1226 NH2 ARG A 83 -5.050 -8.896 -21.112 1.00 34.10 N ATOM 0 H ARG A 83 -7.259 -1.891 -21.732 1.00 42.12 H new ATOM 0 HA ARG A 83 -6.402 -2.900 -19.082 1.00 24.32 H new ATOM 0 HB2 ARG A 83 -4.789 -2.551 -21.641 1.00 61.10 H new ATOM 0 HB3 ARG A 83 -4.134 -3.047 -20.093 1.00 61.10 H new ATOM 0 HG2 ARG A 83 -6.365 -4.628 -21.379 1.00 51.13 H new ATOM 0 HG3 ARG A 83 -4.706 -4.857 -21.893 1.00 51.13 H new ATOM 0 HD2 ARG A 83 -4.317 -5.012 -19.226 1.00 33.14 H new ATOM 0 HD3 ARG A 83 -5.994 -5.518 -19.269 1.00 33.14 H new ATOM 0 HE ARG A 83 -3.684 -7.037 -20.181 1.00 51.05 H new ATOM 0 HH11 ARG A 83 -7.144 -6.499 -20.629 1.00 12.42 H new ATOM 0 HH12 ARG A 83 -7.431 -8.120 -21.272 1.00 12.42 H new ATOM 0 HH21 ARG A 83 -4.059 -9.116 -21.008 1.00 34.10 H new ATOM 0 HH22 ARG A 83 -5.691 -9.595 -21.486 1.00 34.10 H new ATOM 1240 N GLN A 84 -5.569 -0.688 -18.365 1.00 24.33 N ATOM 1241 CA GLN A 84 -5.170 0.635 -17.899 1.00 35.22 C ATOM 1242 C GLN A 84 -3.652 0.754 -17.831 1.00 25.21 C ATOM 1243 O GLN A 84 -2.973 -0.129 -17.304 1.00 53.24 O ATOM 1244 CB GLN A 84 -5.778 0.919 -16.524 1.00 72.11 C ATOM 1245 CG GLN A 84 -7.270 0.636 -16.448 1.00 62.10 C ATOM 1246 CD GLN A 84 -7.588 -0.604 -15.636 1.00 21.10 C ATOM 1247 OE1 GLN A 84 -7.365 -0.641 -14.425 1.00 75.55 O ATOM 1248 NE2 GLN A 84 -8.112 -1.628 -16.299 1.00 62.24 N ATOM 0 H GLN A 84 -5.689 -1.378 -17.624 1.00 24.33 H new ATOM 0 HA GLN A 84 -5.542 1.371 -18.612 1.00 35.22 H new ATOM 0 HB2 GLN A 84 -5.264 0.315 -15.777 1.00 72.11 H new ATOM 0 HB3 GLN A 84 -5.601 1.963 -16.266 1.00 72.11 H new ATOM 0 HG2 GLN A 84 -7.777 1.494 -16.007 1.00 62.10 H new ATOM 0 HG3 GLN A 84 -7.665 0.516 -17.457 1.00 62.10 H new ATOM 0 HE21 GLN A 84 -8.280 -1.554 -17.302 1.00 62.24 H new ATOM 0 HE22 GLN A 84 -8.347 -2.489 -15.805 1.00 62.24 H new ATOM 1257 N ILE A 85 -3.124 1.849 -18.367 1.00 13.43 N ATOM 1258 CA ILE A 85 -1.686 2.083 -18.366 1.00 4.31 C ATOM 1259 C ILE A 85 -1.296 3.112 -17.309 1.00 75.42 C ATOM 1260 O ILE A 85 -1.463 4.308 -17.543 1.00 24.24 O ATOM 1261 CB ILE A 85 -1.193 2.567 -19.743 1.00 11.14 C ATOM 1262 CG1 ILE A 85 -1.798 1.709 -20.855 1.00 71.24 C ATOM 1263 CG2 ILE A 85 0.327 2.530 -19.804 1.00 74.14 C ATOM 1264 CD1 ILE A 85 -1.495 0.234 -20.713 1.00 73.41 C ATOM 0 H ILE A 85 -3.671 2.588 -18.808 1.00 13.43 H new ATOM 0 HA ILE A 85 -1.212 1.129 -18.134 1.00 4.31 H new ATOM 0 HB ILE A 85 -1.518 3.597 -19.888 1.00 11.14 H new ATOM 0 HG12 ILE A 85 -2.879 1.850 -20.865 1.00 71.24 H new ATOM 0 HG13 ILE A 85 -1.422 2.058 -21.817 1.00 71.24 H new ATOM 0 HG21 ILE A 85 0.660 2.875 -20.783 1.00 74.14 H new ATOM 0 HG22 ILE A 85 0.738 3.180 -19.031 1.00 74.14 H new ATOM 0 HG23 ILE A 85 0.673 1.509 -19.642 1.00 74.14 H new ATOM 0 HD11 ILE A 85 -1.955 -0.313 -21.536 1.00 73.41 H new ATOM 0 HD12 ILE A 85 -0.416 0.081 -20.734 1.00 73.41 H new ATOM 0 HD13 ILE A 85 -1.895 -0.130 -19.767 1.00 73.41 H new