USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 584 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl -165:sc= -5.56! (180deg=-7.01!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 14 ASN :FLIP amide:sc= -0.311 F(o=-0.89,f=-0.31) USER MOD Single : A 16 SER OG : rot -142:sc= 0.457 USER MOD Single : A 22 ASN : amide:sc= 0.197 K(o=0.2,f=-3.4!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 27 HIS : no HE2:sc= -0.184 K(o=-0.18,f=-2.4!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HE2:sc= -0.228 K(o=-0.23,f=-5!) USER MOD Single : A 52 CYS SG : rot 30:sc= 0.185 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 HIS : +bothHN:sc= -4.44 X(o=-4.4,f=-4.6!) USER MOD Single : A 66 LYS NZ :NH3+ 165:sc= -0.0519 (180deg=-0.294) USER MOD Single : A 67 SER OG : rot 65:sc= 0.74 USER MOD Single : A 71 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0052) USER MOD Single : A 74 THR OG1 : rot 40:sc= 0.275 USER MOD Single : A 80 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.408 22.447 -21.254 1.00 64.54 N ATOM 2 CA GLY A 1 -11.555 21.537 -22.417 1.00 63.31 C ATOM 3 C GLY A 1 -12.943 21.621 -23.032 1.00 45.41 C ATOM 4 O GLY A 1 -13.923 21.220 -22.399 1.00 52.30 O ATOM 0 H1 GLY A 1 -10.448 22.359 -20.864 1.00 64.54 H new ATOM 0 H2 GLY A 1 -11.570 23.428 -21.558 1.00 64.54 H new ATOM 0 H3 GLY A 1 -12.103 22.192 -20.524 1.00 64.54 H new ATOM 0 HA2 GLY A 1 -10.808 21.788 -23.171 1.00 63.31 H new ATOM 0 HA3 GLY A 1 -11.359 20.512 -22.103 1.00 63.31 H new ATOM 10 N PRO A 2 -13.064 22.166 -24.257 1.00 71.21 N ATOM 11 CA PRO A 2 -14.350 22.276 -24.953 1.00 1.44 C ATOM 12 C PRO A 2 -14.770 20.956 -25.606 1.00 72.44 C ATOM 13 O PRO A 2 -13.928 20.135 -25.974 1.00 54.42 O ATOM 14 CB PRO A 2 -14.076 23.347 -26.011 1.00 51.43 C ATOM 15 CG PRO A 2 -12.629 23.183 -26.336 1.00 23.45 C ATOM 16 CD PRO A 2 -11.956 22.726 -25.062 1.00 11.23 C ATOM 0 HA PRO A 2 -15.170 22.525 -24.279 1.00 1.44 H new ATOM 0 HB2 PRO A 2 -14.700 23.204 -26.893 1.00 51.43 H new ATOM 0 HB3 PRO A 2 -14.287 24.346 -25.630 1.00 51.43 H new ATOM 0 HG2 PRO A 2 -12.490 22.452 -27.133 1.00 23.45 H new ATOM 0 HG3 PRO A 2 -12.201 24.122 -26.687 1.00 23.45 H new ATOM 0 HD2 PRO A 2 -11.189 21.978 -25.261 1.00 11.23 H new ATOM 0 HD3 PRO A 2 -11.468 23.554 -24.549 1.00 11.23 H new ATOM 24 N GLY A 3 -16.076 20.770 -25.756 1.00 40.44 N ATOM 25 CA GLY A 3 -16.601 19.553 -26.348 1.00 52.53 C ATOM 26 C GLY A 3 -16.516 19.563 -27.864 1.00 44.43 C ATOM 27 O GLY A 3 -17.536 19.677 -28.552 1.00 41.21 O ATOM 0 H GLY A 3 -16.786 21.446 -25.476 1.00 40.44 H new ATOM 0 HA2 GLY A 3 -16.048 18.697 -25.962 1.00 52.53 H new ATOM 0 HA3 GLY A 3 -17.640 19.424 -26.046 1.00 52.53 H new ATOM 31 N SER A 4 -15.297 19.466 -28.386 1.00 41.10 N ATOM 32 CA SER A 4 -15.075 19.418 -29.826 1.00 64.44 C ATOM 33 C SER A 4 -15.576 18.085 -30.391 1.00 54.20 C ATOM 34 O SER A 4 -14.926 17.053 -30.222 1.00 10.33 O ATOM 35 CB SER A 4 -13.580 19.605 -30.132 1.00 64.41 C ATOM 36 OG SER A 4 -13.089 20.825 -29.592 1.00 10.53 O ATOM 0 H SER A 4 -14.444 19.419 -27.829 1.00 41.10 H new ATOM 0 HA SER A 4 -15.632 20.226 -30.300 1.00 64.44 H new ATOM 0 HB2 SER A 4 -13.015 18.769 -29.719 1.00 64.41 H new ATOM 0 HB3 SER A 4 -13.424 19.594 -31.211 1.00 64.41 H new ATOM 0 HG SER A 4 -12.136 20.915 -29.801 1.00 10.53 H new ATOM 42 N MET A 5 -16.747 18.119 -31.031 1.00 31.34 N ATOM 43 CA MET A 5 -17.348 16.925 -31.627 1.00 4.33 C ATOM 44 C MET A 5 -16.396 16.294 -32.637 1.00 34.52 C ATOM 45 O MET A 5 -16.036 15.123 -32.520 1.00 40.22 O ATOM 46 CB MET A 5 -18.673 17.282 -32.316 1.00 72.43 C ATOM 47 CG MET A 5 -19.754 17.788 -31.369 1.00 13.45 C ATOM 48 SD MET A 5 -20.280 16.556 -30.158 1.00 24.43 S ATOM 49 CE MET A 5 -20.718 15.187 -31.229 1.00 72.00 C ATOM 0 H MET A 5 -17.301 18.967 -31.150 1.00 31.34 H new ATOM 0 HA MET A 5 -17.543 16.207 -30.830 1.00 4.33 H new ATOM 0 HB2 MET A 5 -18.483 18.044 -33.072 1.00 72.43 H new ATOM 0 HB3 MET A 5 -19.047 16.401 -32.838 1.00 72.43 H new ATOM 0 HG2 MET A 5 -19.383 18.668 -30.844 1.00 13.45 H new ATOM 0 HG3 MET A 5 -20.618 18.105 -31.952 1.00 13.45 H new ATOM 0 HE1 MET A 5 -21.303 14.459 -30.668 1.00 72.00 H new ATOM 0 HE2 MET A 5 -21.307 15.556 -32.069 1.00 72.00 H new ATOM 0 HE3 MET A 5 -19.811 14.713 -31.603 1.00 72.00 H new ATOM 59 N SER A 6 -16.002 17.078 -33.634 1.00 74.20 N ATOM 60 CA SER A 6 -15.043 16.623 -34.626 1.00 0.11 C ATOM 61 C SER A 6 -13.630 16.748 -34.068 1.00 25.10 C ATOM 62 O SER A 6 -13.139 17.854 -33.833 1.00 15.20 O ATOM 63 CB SER A 6 -15.180 17.435 -35.917 1.00 43.50 C ATOM 64 OG SER A 6 -16.523 17.425 -36.386 1.00 53.04 O ATOM 0 H SER A 6 -16.334 18.032 -33.774 1.00 74.20 H new ATOM 0 HA SER A 6 -15.244 15.577 -34.859 1.00 0.11 H new ATOM 0 HB2 SER A 6 -14.860 18.462 -35.740 1.00 43.50 H new ATOM 0 HB3 SER A 6 -14.521 17.023 -36.681 1.00 43.50 H new ATOM 0 HG SER A 6 -16.586 17.951 -37.210 1.00 53.04 H new ATOM 70 N ILE A 7 -12.989 15.610 -33.835 1.00 31.23 N ATOM 71 CA ILE A 7 -11.657 15.588 -33.248 1.00 15.14 C ATOM 72 C ILE A 7 -10.604 15.993 -34.277 1.00 55.21 C ATOM 73 O ILE A 7 -10.260 15.213 -35.172 1.00 65.33 O ATOM 74 CB ILE A 7 -11.305 14.194 -32.659 1.00 4.15 C ATOM 75 CG1 ILE A 7 -12.295 13.817 -31.542 1.00 23.20 C ATOM 76 CG2 ILE A 7 -9.862 14.171 -32.136 1.00 34.01 C ATOM 77 CD1 ILE A 7 -12.037 12.456 -30.923 1.00 34.15 C ATOM 0 H ILE A 7 -13.372 14.688 -34.044 1.00 31.23 H new ATOM 0 HA ILE A 7 -11.658 16.310 -32.431 1.00 15.14 H new ATOM 0 HB ILE A 7 -11.387 13.455 -33.456 1.00 4.15 H new ATOM 0 HG12 ILE A 7 -12.250 14.575 -30.760 1.00 23.20 H new ATOM 0 HG13 ILE A 7 -13.307 13.835 -31.946 1.00 23.20 H new ATOM 0 HG21 ILE A 7 -9.638 13.185 -31.728 1.00 34.01 H new ATOM 0 HG22 ILE A 7 -9.175 14.390 -32.954 1.00 34.01 H new ATOM 0 HG23 ILE A 7 -9.746 14.922 -31.354 1.00 34.01 H new ATOM 0 HD11 ILE A 7 -12.776 12.264 -30.145 1.00 34.15 H new ATOM 0 HD12 ILE A 7 -12.111 11.687 -31.692 1.00 34.15 H new ATOM 0 HD13 ILE A 7 -11.038 12.438 -30.487 1.00 34.15 H new ATOM 89 N ASN A 8 -10.140 17.234 -34.170 1.00 54.12 N ATOM 90 CA ASN A 8 -8.981 17.705 -34.927 1.00 25.44 C ATOM 91 C ASN A 8 -7.767 17.705 -34.000 1.00 50.11 C ATOM 92 O ASN A 8 -7.520 18.682 -33.286 1.00 64.43 O ATOM 93 CB ASN A 8 -9.229 19.115 -35.488 1.00 20.10 C ATOM 94 CG ASN A 8 -8.067 19.630 -36.332 1.00 43.15 C ATOM 95 OD1 ASN A 8 -7.346 18.853 -36.965 1.00 32.04 O ATOM 96 ND2 ASN A 8 -7.881 20.942 -36.352 1.00 53.11 N ATOM 0 H ASN A 8 -10.553 17.940 -33.560 1.00 54.12 H new ATOM 0 HA ASN A 8 -8.804 17.042 -35.774 1.00 25.44 H new ATOM 0 HB2 ASN A 8 -10.135 19.106 -36.093 1.00 20.10 H new ATOM 0 HB3 ASN A 8 -9.405 19.804 -34.662 1.00 20.10 H new ATOM 0 HD21 ASN A 8 -7.121 21.341 -36.904 1.00 53.11 H new ATOM 0 HD22 ASN A 8 -8.497 21.553 -35.816 1.00 53.11 H new ATOM 103 N PRO A 9 -7.017 16.588 -33.966 1.00 24.42 N ATOM 104 CA PRO A 9 -5.939 16.389 -33.001 1.00 34.30 C ATOM 105 C PRO A 9 -4.613 16.993 -33.457 1.00 64.14 C ATOM 106 O PRO A 9 -4.354 17.124 -34.659 1.00 71.44 O ATOM 107 CB PRO A 9 -5.846 14.863 -32.932 1.00 41.24 C ATOM 108 CG PRO A 9 -6.197 14.402 -34.310 1.00 53.41 C ATOM 109 CD PRO A 9 -7.148 15.433 -34.881 1.00 62.43 C ATOM 0 HA PRO A 9 -6.139 16.875 -32.046 1.00 34.30 H new ATOM 0 HB2 PRO A 9 -4.845 14.539 -32.649 1.00 41.24 H new ATOM 0 HB3 PRO A 9 -6.534 14.457 -32.191 1.00 41.24 H new ATOM 0 HG2 PRO A 9 -5.304 14.314 -34.929 1.00 53.41 H new ATOM 0 HG3 PRO A 9 -6.664 13.417 -34.282 1.00 53.41 H new ATOM 0 HD2 PRO A 9 -6.879 15.701 -35.903 1.00 62.43 H new ATOM 0 HD3 PRO A 9 -8.172 15.060 -34.908 1.00 62.43 H new ATOM 117 N PHE A 10 -3.788 17.374 -32.489 1.00 40.41 N ATOM 118 CA PHE A 10 -2.437 17.864 -32.759 1.00 31.52 C ATOM 119 C PHE A 10 -1.445 17.154 -31.845 1.00 72.32 C ATOM 120 O PHE A 10 -0.739 16.241 -32.274 1.00 51.11 O ATOM 121 CB PHE A 10 -2.355 19.387 -32.575 1.00 3.43 C ATOM 122 CG PHE A 10 -3.131 20.161 -33.610 1.00 33.53 C ATOM 123 CD1 PHE A 10 -4.472 20.461 -33.416 1.00 15.31 C ATOM 124 CD2 PHE A 10 -2.518 20.583 -34.781 1.00 51.51 C ATOM 125 CE1 PHE A 10 -5.183 21.164 -34.369 1.00 50.24 C ATOM 126 CE2 PHE A 10 -3.225 21.288 -35.733 1.00 54.40 C ATOM 127 CZ PHE A 10 -4.559 21.578 -35.528 1.00 35.42 C ATOM 0 H PHE A 10 -4.033 17.353 -31.499 1.00 40.41 H new ATOM 0 HA PHE A 10 -2.185 17.645 -33.797 1.00 31.52 H new ATOM 0 HB2 PHE A 10 -2.728 19.646 -31.584 1.00 3.43 H new ATOM 0 HB3 PHE A 10 -1.310 19.694 -32.612 1.00 3.43 H new ATOM 0 HD1 PHE A 10 -4.965 20.141 -32.510 1.00 15.31 H new ATOM 0 HD2 PHE A 10 -1.475 20.357 -34.949 1.00 51.51 H new ATOM 0 HE1 PHE A 10 -6.227 21.390 -34.207 1.00 50.24 H new ATOM 0 HE2 PHE A 10 -2.735 21.613 -36.639 1.00 54.40 H new ATOM 0 HZ PHE A 10 -5.114 22.128 -36.274 1.00 35.42 H new ATOM 137 N ASP A 11 -1.420 17.552 -30.575 1.00 1.54 N ATOM 138 CA ASP A 11 -0.586 16.882 -29.577 1.00 3.31 C ATOM 139 C ASP A 11 -1.218 15.549 -29.183 1.00 75.40 C ATOM 140 O ASP A 11 -0.531 14.622 -28.746 1.00 13.31 O ATOM 141 CB ASP A 11 -0.389 17.776 -28.339 1.00 60.33 C ATOM 142 CG ASP A 11 -1.696 18.141 -27.647 1.00 70.42 C ATOM 143 OD1 ASP A 11 -2.355 19.114 -28.085 1.00 15.20 O ATOM 144 OD2 ASP A 11 -2.065 17.475 -26.657 1.00 63.02 O ATOM 0 H ASP A 11 -1.966 18.333 -30.212 1.00 1.54 H new ATOM 0 HA ASP A 11 0.395 16.692 -30.012 1.00 3.31 H new ATOM 0 HB2 ASP A 11 0.260 17.264 -27.629 1.00 60.33 H new ATOM 0 HB3 ASP A 11 0.124 18.690 -28.637 1.00 60.33 H new ATOM 149 N ASP A 12 -2.535 15.463 -29.372 1.00 41.24 N ATOM 150 CA ASP A 12 -3.309 14.253 -29.074 1.00 42.44 C ATOM 151 C ASP A 12 -2.739 13.045 -29.813 1.00 73.54 C ATOM 152 O ASP A 12 -2.834 11.913 -29.340 1.00 63.12 O ATOM 153 CB ASP A 12 -4.775 14.441 -29.498 1.00 5.22 C ATOM 154 CG ASP A 12 -5.383 15.739 -28.993 1.00 31.25 C ATOM 155 OD1 ASP A 12 -5.085 16.801 -29.586 1.00 14.35 O ATOM 156 OD2 ASP A 12 -6.157 15.703 -28.011 1.00 43.52 O ATOM 0 H ASP A 12 -3.098 16.231 -29.737 1.00 41.24 H new ATOM 0 HA ASP A 12 -3.251 14.079 -28.000 1.00 42.44 H new ATOM 0 HB2 ASP A 12 -4.838 14.417 -30.586 1.00 5.22 H new ATOM 0 HB3 ASP A 12 -5.364 13.603 -29.126 1.00 5.22 H new ATOM 161 N ASP A 13 -2.155 13.305 -30.979 1.00 11.11 N ATOM 162 CA ASP A 13 -1.602 12.255 -31.836 1.00 23.12 C ATOM 163 C ASP A 13 -0.535 11.441 -31.100 1.00 30.54 C ATOM 164 O ASP A 13 -0.412 10.232 -31.298 1.00 12.41 O ATOM 165 CB ASP A 13 -1.018 12.885 -33.111 1.00 74.53 C ATOM 166 CG ASP A 13 -0.231 11.904 -33.973 1.00 12.31 C ATOM 167 OD1 ASP A 13 -0.818 10.907 -34.445 1.00 73.14 O ATOM 168 OD2 ASP A 13 0.972 12.149 -34.211 1.00 60.13 O ATOM 0 H ASP A 13 -2.051 14.246 -31.358 1.00 11.11 H new ATOM 0 HA ASP A 13 -2.406 11.571 -32.108 1.00 23.12 H new ATOM 0 HB2 ASP A 13 -1.831 13.305 -33.704 1.00 74.53 H new ATOM 0 HB3 ASP A 13 -0.367 13.713 -32.831 1.00 74.53 H new ATOM 173 N ASN A 14 0.225 12.114 -30.243 1.00 10.01 N ATOM 174 CA ASN A 14 1.292 11.466 -29.478 1.00 44.32 C ATOM 175 C ASN A 14 0.792 11.098 -28.076 1.00 62.12 C ATOM 176 O ASN A 14 1.574 10.749 -27.191 1.00 31.00 O ATOM 177 CB ASN A 14 2.509 12.405 -29.384 1.00 31.51 C ATOM 178 CG ASN A 14 3.784 11.683 -28.967 1.00 23.43 C ATOM 179 OD1 ASN A 14 4.034 11.600 -27.668 1.00 1.41 O flip ATOM 180 ND2 ASN A 14 4.540 11.208 -29.811 1.00 73.33 N flip ATOM 0 H ASN A 14 0.124 13.112 -30.058 1.00 10.01 H new ATOM 0 HA ASN A 14 1.590 10.550 -29.989 1.00 44.32 H new ATOM 0 HB2 ASN A 14 2.668 12.883 -30.350 1.00 31.51 H new ATOM 0 HB3 ASN A 14 2.295 13.198 -28.667 1.00 31.51 H new ATOM 0 HD21 ASN A 14 4.315 11.291 -30.802 1.00 73.33 H new ATOM 0 HD22 ASN A 14 5.393 10.730 -29.520 1.00 73.33 H new ATOM 187 N GLY A 15 -0.524 11.162 -27.887 1.00 55.21 N ATOM 188 CA GLY A 15 -1.111 10.945 -26.575 1.00 55.10 C ATOM 189 C GLY A 15 -1.368 9.479 -26.279 1.00 5.11 C ATOM 190 O GLY A 15 -2.515 9.072 -26.081 1.00 2.02 O ATOM 0 H GLY A 15 -1.199 11.362 -28.625 1.00 55.21 H new ATOM 0 HA2 GLY A 15 -0.447 11.353 -25.813 1.00 55.10 H new ATOM 0 HA3 GLY A 15 -2.050 11.494 -26.507 1.00 55.10 H new ATOM 194 N SER A 16 -0.306 8.680 -26.272 1.00 4.14 N ATOM 195 CA SER A 16 -0.404 7.273 -25.900 1.00 63.44 C ATOM 196 C SER A 16 -0.711 7.144 -24.408 1.00 71.32 C ATOM 197 O SER A 16 -0.345 8.024 -23.624 1.00 2.12 O ATOM 198 CB SER A 16 0.902 6.545 -26.237 1.00 1.03 C ATOM 199 OG SER A 16 1.231 6.695 -27.609 1.00 70.32 O ATOM 0 H SER A 16 0.635 8.984 -26.521 1.00 4.14 H new ATOM 0 HA SER A 16 -1.215 6.815 -26.466 1.00 63.44 H new ATOM 0 HB2 SER A 16 1.711 6.938 -25.621 1.00 1.03 H new ATOM 0 HB3 SER A 16 0.804 5.486 -25.997 1.00 1.03 H new ATOM 0 HG SER A 16 1.612 5.858 -27.947 1.00 70.32 H new ATOM 205 N PHE A 17 -1.397 6.073 -24.005 1.00 33.31 N ATOM 206 CA PHE A 17 -1.609 5.840 -22.586 1.00 3.42 C ATOM 207 C PHE A 17 -0.283 5.494 -21.914 1.00 71.15 C ATOM 208 O PHE A 17 0.228 4.383 -22.041 1.00 4.05 O ATOM 209 CB PHE A 17 -2.628 4.707 -22.363 1.00 25.25 C ATOM 210 CG PHE A 17 -3.003 4.480 -20.915 1.00 23.11 C ATOM 211 CD1 PHE A 17 -3.764 5.414 -20.225 1.00 74.21 C ATOM 212 CD2 PHE A 17 -2.600 3.330 -20.249 1.00 3.25 C ATOM 213 CE1 PHE A 17 -4.112 5.208 -18.902 1.00 70.22 C ATOM 214 CE2 PHE A 17 -2.945 3.121 -18.925 1.00 25.21 C ATOM 215 CZ PHE A 17 -3.702 4.060 -18.253 1.00 45.40 C ATOM 0 H PHE A 17 -1.803 5.373 -24.626 1.00 33.31 H new ATOM 0 HA PHE A 17 -2.010 6.751 -22.142 1.00 3.42 H new ATOM 0 HB2 PHE A 17 -3.532 4.931 -22.929 1.00 25.25 H new ATOM 0 HB3 PHE A 17 -2.219 3.782 -22.769 1.00 25.25 H new ATOM 0 HD1 PHE A 17 -4.089 6.313 -20.728 1.00 74.21 H new ATOM 0 HD2 PHE A 17 -2.011 2.590 -20.770 1.00 3.25 H new ATOM 0 HE1 PHE A 17 -4.703 5.944 -18.377 1.00 70.22 H new ATOM 0 HE2 PHE A 17 -2.622 2.224 -18.418 1.00 25.21 H new ATOM 0 HZ PHE A 17 -3.973 3.897 -17.220 1.00 45.40 H new ATOM 225 N PHE A 18 0.266 6.475 -21.218 1.00 10.51 N ATOM 226 CA PHE A 18 1.403 6.284 -20.338 1.00 50.04 C ATOM 227 C PHE A 18 1.216 7.208 -19.150 1.00 10.14 C ATOM 228 O PHE A 18 0.897 8.386 -19.322 1.00 64.22 O ATOM 229 CB PHE A 18 2.743 6.555 -21.056 1.00 0.03 C ATOM 230 CG PHE A 18 2.881 7.936 -21.662 1.00 53.34 C ATOM 231 CD1 PHE A 18 3.375 8.997 -20.914 1.00 52.42 C ATOM 232 CD2 PHE A 18 2.522 8.168 -22.983 1.00 61.11 C ATOM 233 CE1 PHE A 18 3.506 10.256 -21.471 1.00 42.02 C ATOM 234 CE2 PHE A 18 2.653 9.426 -23.544 1.00 74.44 C ATOM 235 CZ PHE A 18 3.143 10.472 -22.786 1.00 11.54 C ATOM 0 H PHE A 18 -0.070 7.437 -21.250 1.00 10.51 H new ATOM 0 HA PHE A 18 1.448 5.245 -20.011 1.00 50.04 H new ATOM 0 HB2 PHE A 18 3.555 6.405 -20.345 1.00 0.03 H new ATOM 0 HB3 PHE A 18 2.870 5.815 -21.846 1.00 0.03 H new ATOM 0 HD1 PHE A 18 3.660 8.837 -19.885 1.00 52.42 H new ATOM 0 HD2 PHE A 18 2.135 7.356 -23.581 1.00 61.11 H new ATOM 0 HE1 PHE A 18 3.893 11.071 -20.877 1.00 42.02 H new ATOM 0 HE2 PHE A 18 2.372 9.590 -24.574 1.00 74.44 H new ATOM 0 HZ PHE A 18 3.242 11.456 -23.220 1.00 11.54 H new ATOM 245 N VAL A 19 1.378 6.679 -17.949 1.00 64.01 N ATOM 246 CA VAL A 19 1.012 7.422 -16.749 1.00 61.04 C ATOM 247 C VAL A 19 2.019 7.175 -15.622 1.00 43.40 C ATOM 248 O VAL A 19 2.284 6.027 -15.236 1.00 52.44 O ATOM 249 CB VAL A 19 -0.425 7.054 -16.272 1.00 53.32 C ATOM 250 CG1 VAL A 19 -0.825 7.888 -15.054 1.00 65.33 C ATOM 251 CG2 VAL A 19 -1.453 7.221 -17.407 1.00 2.33 C ATOM 0 H VAL A 19 1.756 5.748 -17.777 1.00 64.01 H new ATOM 0 HA VAL A 19 1.028 8.481 -17.005 1.00 61.04 H new ATOM 0 HB VAL A 19 -0.417 6.004 -15.981 1.00 53.32 H new ATOM 0 HG11 VAL A 19 -1.832 7.613 -14.740 1.00 65.33 H new ATOM 0 HG12 VAL A 19 -0.126 7.700 -14.239 1.00 65.33 H new ATOM 0 HG13 VAL A 19 -0.802 8.946 -15.314 1.00 65.33 H new ATOM 0 HG21 VAL A 19 -2.445 6.956 -17.041 1.00 2.33 H new ATOM 0 HG22 VAL A 19 -1.456 8.257 -17.746 1.00 2.33 H new ATOM 0 HG23 VAL A 19 -1.187 6.568 -18.238 1.00 2.33 H new ATOM 261 N LEU A 20 2.589 8.267 -15.123 1.00 71.33 N ATOM 262 CA LEU A 20 3.539 8.231 -14.019 1.00 52.24 C ATOM 263 C LEU A 20 2.802 8.442 -12.702 1.00 2.41 C ATOM 264 O LEU A 20 2.042 9.399 -12.556 1.00 61.32 O ATOM 265 CB LEU A 20 4.599 9.325 -14.208 1.00 34.34 C ATOM 266 CG LEU A 20 5.730 9.343 -13.164 1.00 23.03 C ATOM 267 CD1 LEU A 20 6.531 8.046 -13.216 1.00 45.00 C ATOM 268 CD2 LEU A 20 6.642 10.553 -13.373 1.00 31.20 C ATOM 0 H LEU A 20 2.403 9.206 -15.475 1.00 71.33 H new ATOM 0 HA LEU A 20 4.033 7.259 -14.001 1.00 52.24 H new ATOM 0 HB2 LEU A 20 5.043 9.208 -15.197 1.00 34.34 H new ATOM 0 HB3 LEU A 20 4.101 10.295 -14.195 1.00 34.34 H new ATOM 0 HG LEU A 20 5.280 9.426 -12.175 1.00 23.03 H new ATOM 0 HD11 LEU A 20 7.325 8.079 -12.470 1.00 45.00 H new ATOM 0 HD12 LEU A 20 5.872 7.203 -13.007 1.00 45.00 H new ATOM 0 HD13 LEU A 20 6.968 7.928 -14.207 1.00 45.00 H new ATOM 0 HD21 LEU A 20 7.434 10.545 -12.624 1.00 31.20 H new ATOM 0 HD22 LEU A 20 7.084 10.508 -14.369 1.00 31.20 H new ATOM 0 HD23 LEU A 20 6.059 11.469 -13.275 1.00 31.20 H new ATOM 280 N VAL A 21 3.025 7.544 -11.755 1.00 52.14 N ATOM 281 CA VAL A 21 2.350 7.600 -10.463 1.00 71.23 C ATOM 282 C VAL A 21 3.362 7.697 -9.323 1.00 12.22 C ATOM 283 O VAL A 21 4.320 6.924 -9.251 1.00 72.33 O ATOM 284 CB VAL A 21 1.446 6.358 -10.238 1.00 12.52 C ATOM 285 CG1 VAL A 21 0.715 6.442 -8.896 1.00 73.44 C ATOM 286 CG2 VAL A 21 0.453 6.202 -11.386 1.00 14.24 C ATOM 0 H VAL A 21 3.672 6.762 -11.856 1.00 52.14 H new ATOM 0 HA VAL A 21 1.724 8.493 -10.469 1.00 71.23 H new ATOM 0 HB VAL A 21 2.086 5.476 -10.214 1.00 12.52 H new ATOM 0 HG11 VAL A 21 0.090 5.559 -8.766 1.00 73.44 H new ATOM 0 HG12 VAL A 21 1.444 6.493 -8.087 1.00 73.44 H new ATOM 0 HG13 VAL A 21 0.090 7.335 -8.877 1.00 73.44 H new ATOM 0 HG21 VAL A 21 -0.172 5.326 -11.210 1.00 14.24 H new ATOM 0 HG22 VAL A 21 -0.176 7.090 -11.446 1.00 14.24 H new ATOM 0 HG23 VAL A 21 0.996 6.078 -12.323 1.00 14.24 H new ATOM 296 N ASN A 22 3.151 8.668 -8.451 1.00 5.53 N ATOM 297 CA ASN A 22 3.938 8.800 -7.233 1.00 74.14 C ATOM 298 C ASN A 22 3.224 8.068 -6.101 1.00 13.30 C ATOM 299 O ASN A 22 1.997 7.958 -6.114 1.00 42.42 O ATOM 300 CB ASN A 22 4.132 10.287 -6.886 1.00 33.32 C ATOM 301 CG ASN A 22 4.880 10.507 -5.579 1.00 72.42 C ATOM 302 OD1 ASN A 22 5.688 9.677 -5.159 1.00 41.10 O ATOM 303 ND2 ASN A 22 4.624 11.631 -4.930 1.00 14.32 N ATOM 0 H ASN A 22 2.434 9.384 -8.565 1.00 5.53 H new ATOM 0 HA ASN A 22 4.924 8.358 -7.379 1.00 74.14 H new ATOM 0 HB2 ASN A 22 4.677 10.774 -7.695 1.00 33.32 H new ATOM 0 HB3 ASN A 22 3.156 10.769 -6.824 1.00 33.32 H new ATOM 0 HD21 ASN A 22 5.102 11.833 -4.052 1.00 14.32 H new ATOM 0 HD22 ASN A 22 3.949 12.296 -5.308 1.00 14.32 H new ATOM 310 N ASP A 23 3.990 7.581 -5.123 1.00 70.14 N ATOM 311 CA ASP A 23 3.442 6.787 -4.010 1.00 12.10 C ATOM 312 C ASP A 23 2.309 7.544 -3.301 1.00 71.41 C ATOM 313 O ASP A 23 1.473 6.949 -2.623 1.00 71.12 O ATOM 314 CB ASP A 23 4.564 6.434 -3.012 1.00 34.54 C ATOM 315 CG ASP A 23 4.142 5.389 -1.982 1.00 42.35 C ATOM 316 OD1 ASP A 23 4.272 4.176 -2.262 1.00 24.14 O ATOM 317 OD2 ASP A 23 3.690 5.770 -0.881 1.00 1.54 O ATOM 0 H ASP A 23 4.999 7.721 -5.075 1.00 70.14 H new ATOM 0 HA ASP A 23 3.026 5.864 -4.415 1.00 12.10 H new ATOM 0 HB2 ASP A 23 5.429 6.064 -3.563 1.00 34.54 H new ATOM 0 HB3 ASP A 23 4.879 7.340 -2.494 1.00 34.54 H new ATOM 322 N GLU A 24 2.281 8.864 -3.490 1.00 62.34 N ATOM 323 CA GLU A 24 1.243 9.725 -2.921 1.00 11.53 C ATOM 324 C GLU A 24 -0.028 9.729 -3.787 1.00 61.53 C ATOM 325 O GLU A 24 -0.836 10.659 -3.703 1.00 72.22 O ATOM 326 CB GLU A 24 1.780 11.153 -2.787 1.00 73.32 C ATOM 327 CG GLU A 24 3.013 11.264 -1.898 1.00 13.22 C ATOM 328 CD GLU A 24 3.542 12.684 -1.827 1.00 2.14 C ATOM 329 OE1 GLU A 24 2.992 13.488 -1.051 1.00 11.22 O ATOM 330 OE2 GLU A 24 4.497 13.010 -2.563 1.00 51.24 O ATOM 0 H GLU A 24 2.977 9.366 -4.041 1.00 62.34 H new ATOM 0 HA GLU A 24 0.978 9.331 -1.940 1.00 11.53 H new ATOM 0 HB2 GLU A 24 2.023 11.535 -3.779 1.00 73.32 H new ATOM 0 HB3 GLU A 24 0.994 11.791 -2.383 1.00 73.32 H new ATOM 0 HG2 GLU A 24 2.767 10.919 -0.894 1.00 13.22 H new ATOM 0 HG3 GLU A 24 3.794 10.606 -2.279 1.00 13.22 H new ATOM 337 N GLU A 25 -0.187 8.699 -4.622 1.00 62.13 N ATOM 338 CA GLU A 25 -1.366 8.545 -5.488 1.00 0.22 C ATOM 339 C GLU A 25 -1.445 9.652 -6.547 1.00 61.13 C ATOM 340 O GLU A 25 -2.466 9.814 -7.218 1.00 70.13 O ATOM 341 CB GLU A 25 -2.657 8.506 -4.654 1.00 4.34 C ATOM 342 CG GLU A 25 -2.733 7.316 -3.703 1.00 45.50 C ATOM 343 CD GLU A 25 -4.018 7.296 -2.897 1.00 73.30 C ATOM 344 OE1 GLU A 25 -5.033 6.768 -3.398 1.00 62.44 O ATOM 345 OE2 GLU A 25 -4.020 7.802 -1.755 1.00 32.12 O ATOM 0 H GLU A 25 0.495 7.947 -4.719 1.00 62.13 H new ATOM 0 HA GLU A 25 -1.260 7.595 -6.011 1.00 0.22 H new ATOM 0 HB2 GLU A 25 -2.735 9.427 -4.077 1.00 4.34 H new ATOM 0 HB3 GLU A 25 -3.514 8.478 -5.327 1.00 4.34 H new ATOM 0 HG2 GLU A 25 -2.653 6.392 -4.276 1.00 45.50 H new ATOM 0 HG3 GLU A 25 -1.882 7.344 -3.023 1.00 45.50 H new ATOM 352 N GLN A 26 -0.356 10.401 -6.703 1.00 10.22 N ATOM 353 CA GLN A 26 -0.279 11.442 -7.724 1.00 54.01 C ATOM 354 C GLN A 26 -0.066 10.795 -9.091 1.00 30.13 C ATOM 355 O GLN A 26 0.947 10.139 -9.317 1.00 21.03 O ATOM 356 CB GLN A 26 0.862 12.421 -7.399 1.00 31.13 C ATOM 357 CG GLN A 26 1.098 13.484 -8.468 1.00 12.34 C ATOM 358 CD GLN A 26 2.163 14.488 -8.069 1.00 24.51 C ATOM 359 OE1 GLN A 26 3.353 14.289 -8.320 1.00 3.34 O ATOM 360 NE2 GLN A 26 1.745 15.575 -7.443 1.00 4.44 N ATOM 0 H GLN A 26 0.486 10.306 -6.135 1.00 10.22 H new ATOM 0 HA GLN A 26 -1.212 12.005 -7.741 1.00 54.01 H new ATOM 0 HB2 GLN A 26 0.643 12.916 -6.453 1.00 31.13 H new ATOM 0 HB3 GLN A 26 1.782 11.854 -7.257 1.00 31.13 H new ATOM 0 HG2 GLN A 26 1.392 12.999 -9.399 1.00 12.34 H new ATOM 0 HG3 GLN A 26 0.164 14.010 -8.664 1.00 12.34 H new ATOM 0 HE21 GLN A 26 0.751 15.704 -7.253 1.00 4.44 H new ATOM 0 HE22 GLN A 26 2.416 16.285 -7.150 1.00 4.44 H new ATOM 369 N HIS A 27 -1.022 10.985 -9.996 1.00 62.23 N ATOM 370 CA HIS A 27 -0.995 10.322 -11.302 1.00 32.31 C ATOM 371 C HIS A 27 -1.026 11.337 -12.439 1.00 32.43 C ATOM 372 O HIS A 27 -2.055 11.963 -12.704 1.00 70.43 O ATOM 373 CB HIS A 27 -2.167 9.330 -11.428 1.00 4.31 C ATOM 374 CG HIS A 27 -3.485 9.865 -10.946 1.00 71.13 C ATOM 375 ND1 HIS A 27 -4.223 10.813 -11.626 1.00 63.43 N ATOM 376 CD2 HIS A 27 -4.198 9.571 -9.832 1.00 74.11 C ATOM 377 CE1 HIS A 27 -5.328 11.074 -10.952 1.00 60.13 C ATOM 378 NE2 HIS A 27 -5.337 10.333 -9.862 1.00 72.25 N ATOM 0 H HIS A 27 -1.828 11.593 -9.851 1.00 62.23 H new ATOM 0 HA HIS A 27 -0.060 9.767 -11.377 1.00 32.31 H new ATOM 0 HB2 HIS A 27 -2.268 9.036 -12.473 1.00 4.31 H new ATOM 0 HB3 HIS A 27 -1.926 8.428 -10.865 1.00 4.31 H new ATOM 0 HD1 HIS A 27 -3.956 11.244 -12.511 1.00 63.43 H new ATOM 0 HD2 HIS A 27 -3.920 8.866 -9.062 1.00 74.11 H new ATOM 0 HE1 HIS A 27 -6.095 11.776 -11.244 1.00 60.13 H new ATOM 387 N SER A 28 0.111 11.482 -13.108 1.00 43.31 N ATOM 388 CA SER A 28 0.264 12.413 -14.220 1.00 70.43 C ATOM 389 C SER A 28 0.942 11.697 -15.392 1.00 3.04 C ATOM 390 O SER A 28 1.056 10.472 -15.387 1.00 45.11 O ATOM 391 CB SER A 28 1.103 13.618 -13.771 1.00 24.32 C ATOM 392 OG SER A 28 0.549 14.232 -12.620 1.00 33.21 O ATOM 0 H SER A 28 0.957 10.955 -12.894 1.00 43.31 H new ATOM 0 HA SER A 28 -0.715 12.769 -14.541 1.00 70.43 H new ATOM 0 HB2 SER A 28 2.122 13.295 -13.558 1.00 24.32 H new ATOM 0 HB3 SER A 28 1.161 14.345 -14.581 1.00 24.32 H new ATOM 0 HG SER A 28 1.105 14.995 -12.356 1.00 33.21 H new ATOM 398 N LEU A 29 1.380 12.452 -16.396 1.00 3.41 N ATOM 399 CA LEU A 29 2.145 11.883 -17.508 1.00 62.52 C ATOM 400 C LEU A 29 3.610 12.290 -17.371 1.00 23.32 C ATOM 401 O LEU A 29 3.924 13.243 -16.656 1.00 31.35 O ATOM 402 CB LEU A 29 1.582 12.319 -18.879 1.00 32.03 C ATOM 403 CG LEU A 29 1.597 13.831 -19.183 1.00 23.25 C ATOM 404 CD1 LEU A 29 1.382 14.078 -20.677 1.00 5.44 C ATOM 405 CD2 LEU A 29 0.530 14.566 -18.369 1.00 25.14 C ATOM 0 H LEU A 29 1.220 13.457 -16.465 1.00 3.41 H new ATOM 0 HA LEU A 29 2.061 10.797 -17.463 1.00 62.52 H new ATOM 0 HB2 LEU A 29 2.149 11.809 -19.658 1.00 32.03 H new ATOM 0 HB3 LEU A 29 0.553 11.967 -18.952 1.00 32.03 H new ATOM 0 HG LEU A 29 2.574 14.221 -18.897 1.00 23.25 H new ATOM 0 HD11 LEU A 29 1.395 15.150 -20.874 1.00 5.44 H new ATOM 0 HD12 LEU A 29 2.178 13.595 -21.244 1.00 5.44 H new ATOM 0 HD13 LEU A 29 0.419 13.666 -20.979 1.00 5.44 H new ATOM 0 HD21 LEU A 29 0.563 15.630 -18.603 1.00 25.14 H new ATOM 0 HD22 LEU A 29 -0.455 14.170 -18.618 1.00 25.14 H new ATOM 0 HD23 LEU A 29 0.721 14.422 -17.305 1.00 25.14 H new ATOM 417 N TRP A 30 4.503 11.577 -18.054 1.00 23.42 N ATOM 418 CA TRP A 30 5.942 11.787 -17.891 1.00 41.14 C ATOM 419 C TRP A 30 6.644 11.908 -19.247 1.00 34.24 C ATOM 420 O TRP A 30 6.248 11.261 -20.219 1.00 3.43 O ATOM 421 CB TRP A 30 6.552 10.636 -17.075 1.00 13.11 C ATOM 422 CG TRP A 30 6.370 9.278 -17.701 1.00 12.31 C ATOM 423 CD1 TRP A 30 5.213 8.557 -17.778 1.00 71.00 C ATOM 424 CD2 TRP A 30 7.383 8.475 -18.319 1.00 3.12 C ATOM 425 NE1 TRP A 30 5.442 7.363 -18.417 1.00 33.35 N ATOM 426 CE2 TRP A 30 6.767 7.289 -18.757 1.00 25.44 C ATOM 427 CE3 TRP A 30 8.751 8.649 -18.549 1.00 53.21 C ATOM 428 CZ2 TRP A 30 7.473 6.281 -19.409 1.00 51.20 C ATOM 429 CZ3 TRP A 30 9.449 7.647 -19.195 1.00 55.34 C ATOM 430 CH2 TRP A 30 8.810 6.477 -19.619 1.00 73.31 C ATOM 0 H TRP A 30 4.257 10.849 -18.725 1.00 23.42 H new ATOM 0 HA TRP A 30 6.090 12.724 -17.354 1.00 41.14 H new ATOM 0 HB2 TRP A 30 7.617 10.824 -16.942 1.00 13.11 H new ATOM 0 HB3 TRP A 30 6.103 10.630 -16.082 1.00 13.11 H new ATOM 0 HD1 TRP A 30 4.257 8.879 -17.392 1.00 71.00 H new ATOM 0 HE1 TRP A 30 4.740 6.648 -18.607 1.00 33.35 H new ATOM 0 HE3 TRP A 30 9.253 9.550 -18.228 1.00 53.21 H new ATOM 0 HZ2 TRP A 30 6.982 5.377 -19.737 1.00 51.20 H new ATOM 0 HZ3 TRP A 30 10.507 7.769 -19.376 1.00 55.34 H new ATOM 0 HH2 TRP A 30 9.384 5.713 -20.122 1.00 73.31 H new ATOM 441 N PRO A 31 7.687 12.755 -19.333 1.00 52.54 N ATOM 442 CA PRO A 31 8.484 12.909 -20.553 1.00 35.33 C ATOM 443 C PRO A 31 9.328 11.663 -20.826 1.00 43.41 C ATOM 444 O PRO A 31 10.348 11.438 -20.173 1.00 35.31 O ATOM 445 CB PRO A 31 9.382 14.131 -20.262 1.00 30.22 C ATOM 446 CG PRO A 31 8.815 14.757 -19.027 1.00 33.12 C ATOM 447 CD PRO A 31 8.168 13.639 -18.260 1.00 24.30 C ATOM 0 HA PRO A 31 7.864 13.044 -21.439 1.00 35.33 H new ATOM 0 HB2 PRO A 31 10.418 13.829 -20.109 1.00 30.22 H new ATOM 0 HB3 PRO A 31 9.374 14.832 -21.097 1.00 30.22 H new ATOM 0 HG2 PRO A 31 9.597 15.235 -18.437 1.00 33.12 H new ATOM 0 HG3 PRO A 31 8.089 15.530 -19.279 1.00 33.12 H new ATOM 0 HD2 PRO A 31 8.877 13.133 -17.604 1.00 24.30 H new ATOM 0 HD3 PRO A 31 7.352 13.996 -17.632 1.00 24.30 H new ATOM 455 N ALA A 32 8.887 10.855 -21.788 1.00 64.13 N ATOM 456 CA ALA A 32 9.561 9.600 -22.127 1.00 5.22 C ATOM 457 C ALA A 32 11.008 9.828 -22.577 1.00 54.03 C ATOM 458 O ALA A 32 11.843 8.925 -22.494 1.00 51.42 O ATOM 459 CB ALA A 32 8.771 8.866 -23.206 1.00 31.45 C ATOM 0 H ALA A 32 8.059 11.048 -22.352 1.00 64.13 H new ATOM 0 HA ALA A 32 9.601 8.986 -21.227 1.00 5.22 H new ATOM 0 HB1 ALA A 32 9.276 7.933 -23.455 1.00 31.45 H new ATOM 0 HB2 ALA A 32 7.768 8.649 -22.838 1.00 31.45 H new ATOM 0 HB3 ALA A 32 8.704 9.491 -24.096 1.00 31.45 H new ATOM 465 N PHE A 33 11.304 11.038 -23.039 1.00 65.24 N ATOM 466 CA PHE A 33 12.643 11.371 -23.528 1.00 41.30 C ATOM 467 C PHE A 33 13.570 11.787 -22.382 1.00 64.43 C ATOM 468 O PHE A 33 14.720 12.170 -22.612 1.00 54.03 O ATOM 469 CB PHE A 33 12.569 12.483 -24.588 1.00 70.23 C ATOM 470 CG PHE A 33 11.999 13.792 -24.086 1.00 14.54 C ATOM 471 CD1 PHE A 33 10.631 14.030 -24.121 1.00 34.35 C ATOM 472 CD2 PHE A 33 12.833 14.787 -23.587 1.00 21.21 C ATOM 473 CE1 PHE A 33 10.108 15.227 -23.668 1.00 3.51 C ATOM 474 CE2 PHE A 33 12.313 15.986 -23.134 1.00 25.54 C ATOM 475 CZ PHE A 33 10.950 16.207 -23.175 1.00 72.43 C ATOM 0 H PHE A 33 10.636 11.807 -23.086 1.00 65.24 H new ATOM 0 HA PHE A 33 13.061 10.475 -23.987 1.00 41.30 H new ATOM 0 HB2 PHE A 33 13.571 12.663 -24.978 1.00 70.23 H new ATOM 0 HB3 PHE A 33 11.961 12.133 -25.422 1.00 70.23 H new ATOM 0 HD1 PHE A 33 9.967 13.270 -24.507 1.00 34.35 H new ATOM 0 HD2 PHE A 33 13.900 14.621 -23.553 1.00 21.21 H new ATOM 0 HE1 PHE A 33 9.042 15.397 -23.699 1.00 3.51 H new ATOM 0 HE2 PHE A 33 12.973 16.749 -22.748 1.00 25.54 H new ATOM 0 HZ PHE A 33 10.543 17.143 -22.823 1.00 72.43 H new ATOM 485 N ALA A 34 13.071 11.701 -21.151 1.00 11.31 N ATOM 486 CA ALA A 34 13.841 12.086 -19.970 1.00 4.15 C ATOM 487 C ALA A 34 13.942 10.922 -18.988 1.00 15.35 C ATOM 488 O ALA A 34 13.174 9.959 -19.068 1.00 1.33 O ATOM 489 CB ALA A 34 13.204 13.299 -19.299 1.00 42.14 C ATOM 0 H ALA A 34 12.130 11.366 -20.945 1.00 11.31 H new ATOM 0 HA ALA A 34 14.850 12.351 -20.286 1.00 4.15 H new ATOM 0 HB1 ALA A 34 13.786 13.576 -18.420 1.00 42.14 H new ATOM 0 HB2 ALA A 34 13.184 14.134 -20.000 1.00 42.14 H new ATOM 0 HB3 ALA A 34 12.186 13.055 -18.997 1.00 42.14 H new ATOM 495 N ASP A 35 14.896 11.018 -18.069 1.00 65.10 N ATOM 496 CA ASP A 35 15.107 9.989 -17.053 1.00 21.44 C ATOM 497 C ASP A 35 14.151 10.188 -15.881 1.00 35.34 C ATOM 498 O ASP A 35 14.002 11.304 -15.375 1.00 10.32 O ATOM 499 CB ASP A 35 16.560 10.017 -16.551 1.00 10.33 C ATOM 500 CG ASP A 35 16.796 9.051 -15.397 1.00 71.31 C ATOM 501 OD1 ASP A 35 16.906 7.832 -15.645 1.00 62.15 O ATOM 502 OD2 ASP A 35 16.874 9.503 -14.236 1.00 74.13 O ATOM 0 H ASP A 35 15.542 11.805 -18.005 1.00 65.10 H new ATOM 0 HA ASP A 35 14.909 9.018 -17.508 1.00 21.44 H new ATOM 0 HB2 ASP A 35 17.230 9.767 -17.373 1.00 10.33 H new ATOM 0 HB3 ASP A 35 16.811 11.028 -16.232 1.00 10.33 H new ATOM 507 N VAL A 36 13.508 9.105 -15.455 1.00 51.02 N ATOM 508 CA VAL A 36 12.581 9.146 -14.328 1.00 14.20 C ATOM 509 C VAL A 36 13.347 9.022 -13.009 1.00 74.22 C ATOM 510 O VAL A 36 13.990 8.000 -12.759 1.00 4.35 O ATOM 511 CB VAL A 36 11.532 8.006 -14.420 1.00 52.15 C ATOM 512 CG1 VAL A 36 10.544 8.076 -13.256 1.00 54.14 C ATOM 513 CG2 VAL A 36 10.796 8.056 -15.758 1.00 3.12 C ATOM 0 H VAL A 36 13.613 8.182 -15.876 1.00 51.02 H new ATOM 0 HA VAL A 36 12.060 10.103 -14.363 1.00 14.20 H new ATOM 0 HB VAL A 36 12.061 7.055 -14.356 1.00 52.15 H new ATOM 0 HG11 VAL A 36 9.820 7.266 -13.344 1.00 54.14 H new ATOM 0 HG12 VAL A 36 11.084 7.979 -12.314 1.00 54.14 H new ATOM 0 HG13 VAL A 36 10.023 9.033 -13.278 1.00 54.14 H new ATOM 0 HG21 VAL A 36 10.065 7.248 -15.802 1.00 3.12 H new ATOM 0 HG22 VAL A 36 10.285 9.014 -15.856 1.00 3.12 H new ATOM 0 HG23 VAL A 36 11.512 7.942 -16.572 1.00 3.12 H new ATOM 523 N PRO A 37 13.315 10.066 -12.157 1.00 42.20 N ATOM 524 CA PRO A 37 14.005 10.043 -10.857 1.00 21.34 C ATOM 525 C PRO A 37 13.486 8.926 -9.947 1.00 1.14 C ATOM 526 O PRO A 37 12.302 8.573 -9.990 1.00 71.23 O ATOM 527 CB PRO A 37 13.699 11.427 -10.253 1.00 33.33 C ATOM 528 CG PRO A 37 13.302 12.276 -11.414 1.00 74.14 C ATOM 529 CD PRO A 37 12.623 11.349 -12.386 1.00 3.15 C ATOM 0 HA PRO A 37 15.072 9.847 -10.966 1.00 21.34 H new ATOM 0 HB2 PRO A 37 12.899 11.368 -9.516 1.00 33.33 H new ATOM 0 HB3 PRO A 37 14.571 11.837 -9.744 1.00 33.33 H new ATOM 0 HG2 PRO A 37 12.630 13.076 -11.102 1.00 74.14 H new ATOM 0 HG3 PRO A 37 14.172 12.750 -11.868 1.00 74.14 H new ATOM 0 HD2 PRO A 37 11.553 11.272 -12.190 1.00 3.15 H new ATOM 0 HD3 PRO A 37 12.735 11.690 -13.415 1.00 3.15 H new ATOM 537 N ALA A 38 14.377 8.374 -9.128 1.00 5.25 N ATOM 538 CA ALA A 38 14.021 7.314 -8.195 1.00 34.34 C ATOM 539 C ALA A 38 12.918 7.779 -7.245 1.00 32.33 C ATOM 540 O ALA A 38 12.943 8.914 -6.754 1.00 13.31 O ATOM 541 CB ALA A 38 15.252 6.872 -7.414 1.00 11.05 C ATOM 0 H ALA A 38 15.359 8.648 -9.094 1.00 5.25 H new ATOM 0 HA ALA A 38 13.642 6.463 -8.761 1.00 34.34 H new ATOM 0 HB1 ALA A 38 14.976 6.079 -6.719 1.00 11.05 H new ATOM 0 HB2 ALA A 38 16.008 6.501 -8.106 1.00 11.05 H new ATOM 0 HB3 ALA A 38 15.653 7.719 -6.858 1.00 11.05 H new ATOM 547 N GLY A 39 11.952 6.902 -6.999 1.00 34.21 N ATOM 548 CA GLY A 39 10.823 7.234 -6.148 1.00 13.01 C ATOM 549 C GLY A 39 9.528 7.276 -6.937 1.00 60.32 C ATOM 550 O GLY A 39 8.470 6.890 -6.437 1.00 53.32 O ATOM 0 H GLY A 39 11.931 5.956 -7.379 1.00 34.21 H new ATOM 0 HA2 GLY A 39 10.740 6.498 -5.348 1.00 13.01 H new ATOM 0 HA3 GLY A 39 10.994 8.201 -5.675 1.00 13.01 H new ATOM 554 N TRP A 40 9.621 7.737 -8.181 1.00 51.51 N ATOM 555 CA TRP A 40 8.472 7.780 -9.080 1.00 73.43 C ATOM 556 C TRP A 40 8.257 6.402 -9.702 1.00 13.52 C ATOM 557 O TRP A 40 9.219 5.719 -10.051 1.00 74.51 O ATOM 558 CB TRP A 40 8.696 8.818 -10.186 1.00 45.14 C ATOM 559 CG TRP A 40 8.931 10.210 -9.682 1.00 44.13 C ATOM 560 CD1 TRP A 40 10.109 10.732 -9.230 1.00 34.43 C ATOM 561 CD2 TRP A 40 7.967 11.263 -9.594 1.00 12.14 C ATOM 562 NE1 TRP A 40 9.931 12.039 -8.860 1.00 74.20 N ATOM 563 CE2 TRP A 40 8.629 12.390 -9.078 1.00 71.13 C ATOM 564 CE3 TRP A 40 6.609 11.361 -9.905 1.00 32.41 C ATOM 565 CZ2 TRP A 40 7.981 13.599 -8.863 1.00 14.53 C ATOM 566 CZ3 TRP A 40 5.966 12.564 -9.692 1.00 71.15 C ATOM 567 CH2 TRP A 40 6.654 13.669 -9.177 1.00 62.31 C ATOM 0 H TRP A 40 10.486 8.088 -8.591 1.00 51.51 H new ATOM 0 HA TRP A 40 7.588 8.064 -8.508 1.00 73.43 H new ATOM 0 HB2 TRP A 40 9.551 8.512 -10.788 1.00 45.14 H new ATOM 0 HB3 TRP A 40 7.828 8.824 -10.845 1.00 45.14 H new ATOM 0 HD1 TRP A 40 11.044 10.194 -9.173 1.00 34.43 H new ATOM 0 HE1 TRP A 40 10.654 12.651 -8.483 1.00 74.20 H new ATOM 0 HE3 TRP A 40 6.073 10.513 -10.304 1.00 32.41 H new ATOM 0 HZ2 TRP A 40 8.507 14.453 -8.462 1.00 14.53 H new ATOM 0 HZ3 TRP A 40 4.916 12.654 -9.926 1.00 71.15 H new ATOM 0 HH2 TRP A 40 6.124 14.597 -9.025 1.00 62.31 H new ATOM 578 N ARG A 41 7.002 5.992 -9.844 1.00 24.31 N ATOM 579 CA ARG A 41 6.684 4.673 -10.375 1.00 20.05 C ATOM 580 C ARG A 41 5.695 4.796 -11.531 1.00 55.23 C ATOM 581 O ARG A 41 4.639 5.396 -11.386 1.00 13.03 O ATOM 582 CB ARG A 41 6.094 3.819 -9.245 1.00 53.34 C ATOM 583 CG ARG A 41 5.948 2.335 -9.564 1.00 52.42 C ATOM 584 CD ARG A 41 5.409 1.570 -8.358 1.00 12.34 C ATOM 585 NE ARG A 41 5.431 0.122 -8.559 1.00 63.22 N ATOM 586 CZ ARG A 41 5.256 -0.769 -7.580 1.00 44.45 C ATOM 587 NH1 ARG A 41 5.008 -0.367 -6.337 1.00 42.12 N ATOM 588 NH2 ARG A 41 5.322 -2.063 -7.848 1.00 31.14 N ATOM 0 H ARG A 41 6.188 6.555 -9.598 1.00 24.31 H new ATOM 0 HA ARG A 41 7.587 4.197 -10.756 1.00 20.05 H new ATOM 0 HB2 ARG A 41 6.726 3.925 -8.363 1.00 53.34 H new ATOM 0 HB3 ARG A 41 5.113 4.217 -8.984 1.00 53.34 H new ATOM 0 HG2 ARG A 41 5.276 2.206 -10.412 1.00 52.42 H new ATOM 0 HG3 ARG A 41 6.914 1.925 -9.858 1.00 52.42 H new ATOM 0 HD2 ARG A 41 6.002 1.821 -7.478 1.00 12.34 H new ATOM 0 HD3 ARG A 41 4.387 1.890 -8.156 1.00 12.34 H new ATOM 0 HE ARG A 41 5.590 -0.229 -9.504 1.00 63.22 H new ATOM 0 HH11 ARG A 41 4.950 0.629 -6.125 1.00 42.12 H new ATOM 0 HH12 ARG A 41 4.876 -1.055 -5.595 1.00 42.12 H new ATOM 0 HH21 ARG A 41 5.506 -2.378 -8.801 1.00 31.14 H new ATOM 0 HH22 ARG A 41 5.189 -2.746 -7.102 1.00 31.14 H new ATOM 602 N VAL A 42 6.035 4.225 -12.676 1.00 41.41 N ATOM 603 CA VAL A 42 5.157 4.271 -13.841 1.00 54.33 C ATOM 604 C VAL A 42 4.146 3.133 -13.764 1.00 41.04 C ATOM 605 O VAL A 42 4.524 1.983 -13.516 1.00 60.22 O ATOM 606 CB VAL A 42 5.958 4.164 -15.165 1.00 3.04 C ATOM 607 CG1 VAL A 42 5.047 4.367 -16.374 1.00 41.04 C ATOM 608 CG2 VAL A 42 7.116 5.160 -15.188 1.00 13.44 C ATOM 0 H VAL A 42 6.911 3.724 -12.826 1.00 41.41 H new ATOM 0 HA VAL A 42 4.642 5.231 -13.836 1.00 54.33 H new ATOM 0 HB VAL A 42 6.376 3.159 -15.220 1.00 3.04 H new ATOM 0 HG11 VAL A 42 5.634 4.287 -17.289 1.00 41.04 H new ATOM 0 HG12 VAL A 42 4.268 3.605 -16.375 1.00 41.04 H new ATOM 0 HG13 VAL A 42 4.588 5.354 -16.322 1.00 41.04 H new ATOM 0 HG21 VAL A 42 7.660 5.063 -16.127 1.00 13.44 H new ATOM 0 HG22 VAL A 42 6.726 6.174 -15.097 1.00 13.44 H new ATOM 0 HG23 VAL A 42 7.789 4.955 -14.356 1.00 13.44 H new ATOM 618 N VAL A 43 2.865 3.445 -13.951 1.00 12.04 N ATOM 619 CA VAL A 43 1.822 2.420 -13.909 1.00 4.12 C ATOM 620 C VAL A 43 1.682 1.760 -15.281 1.00 0.32 C ATOM 621 O VAL A 43 1.374 0.571 -15.390 1.00 14.03 O ATOM 622 CB VAL A 43 0.453 2.996 -13.444 1.00 51.33 C ATOM 623 CG1 VAL A 43 -0.098 4.009 -14.447 1.00 51.05 C ATOM 624 CG2 VAL A 43 -0.554 1.871 -13.199 1.00 73.33 C ATOM 0 H VAL A 43 2.526 4.390 -14.131 1.00 12.04 H new ATOM 0 HA VAL A 43 2.124 1.673 -13.175 1.00 4.12 H new ATOM 0 HB VAL A 43 0.618 3.520 -12.503 1.00 51.33 H new ATOM 0 HG11 VAL A 43 -1.055 4.391 -14.090 1.00 51.05 H new ATOM 0 HG12 VAL A 43 0.605 4.835 -14.554 1.00 51.05 H new ATOM 0 HG13 VAL A 43 -0.238 3.525 -15.413 1.00 51.05 H new ATOM 0 HG21 VAL A 43 -1.504 2.297 -12.875 1.00 73.33 H new ATOM 0 HG22 VAL A 43 -0.704 1.310 -14.121 1.00 73.33 H new ATOM 0 HG23 VAL A 43 -0.173 1.204 -12.426 1.00 73.33 H new ATOM 634 N HIS A 44 1.947 2.541 -16.324 1.00 64.55 N ATOM 635 CA HIS A 44 1.908 2.057 -17.699 1.00 44.42 C ATOM 636 C HIS A 44 2.823 2.924 -18.554 1.00 73.35 C ATOM 637 O HIS A 44 2.659 4.146 -18.591 1.00 2.12 O ATOM 638 CB HIS A 44 0.474 2.107 -18.248 1.00 33.41 C ATOM 639 CG HIS A 44 0.314 1.472 -19.600 1.00 64.22 C ATOM 640 ND1 HIS A 44 0.675 2.092 -20.778 1.00 63.31 N ATOM 641 CD2 HIS A 44 -0.187 0.265 -19.955 1.00 24.33 C ATOM 642 CE1 HIS A 44 0.402 1.294 -21.792 1.00 61.35 C ATOM 643 NE2 HIS A 44 -0.121 0.180 -21.322 1.00 12.24 N ATOM 0 H HIS A 44 2.195 3.527 -16.239 1.00 64.55 H new ATOM 0 HA HIS A 44 2.247 1.021 -17.726 1.00 44.42 H new ATOM 0 HB2 HIS A 44 -0.191 1.609 -17.543 1.00 33.41 H new ATOM 0 HB3 HIS A 44 0.155 3.148 -18.307 1.00 33.41 H new ATOM 0 HD1 HIS A 44 1.088 3.022 -20.853 1.00 63.31 H new ATOM 0 HD2 HIS A 44 -0.568 -0.491 -19.285 1.00 24.33 H new ATOM 0 HE1 HIS A 44 0.578 1.517 -22.834 1.00 61.35 H new ATOM 652 N GLY A 45 3.794 2.298 -19.216 1.00 42.11 N ATOM 653 CA GLY A 45 4.743 3.033 -20.039 1.00 12.53 C ATOM 654 C GLY A 45 4.168 3.413 -21.390 1.00 61.03 C ATOM 655 O GLY A 45 2.971 3.230 -21.633 1.00 13.13 O ATOM 0 H GLY A 45 3.941 1.289 -19.197 1.00 42.11 H new ATOM 0 HA2 GLY A 45 5.052 3.936 -19.513 1.00 12.53 H new ATOM 0 HA3 GLY A 45 5.637 2.427 -20.186 1.00 12.53 H new ATOM 659 N GLU A 46 5.018 3.950 -22.266 1.00 70.20 N ATOM 660 CA GLU A 46 4.603 4.340 -23.612 1.00 12.32 C ATOM 661 C GLU A 46 4.113 3.120 -24.388 1.00 41.42 C ATOM 662 O GLU A 46 4.512 1.989 -24.097 1.00 12.04 O ATOM 663 CB GLU A 46 5.759 5.018 -24.361 1.00 10.22 C ATOM 664 CG GLU A 46 7.028 4.173 -24.431 1.00 43.31 C ATOM 665 CD GLU A 46 8.087 4.770 -25.344 1.00 74.34 C ATOM 666 OE1 GLU A 46 8.862 5.630 -24.882 1.00 62.12 O ATOM 667 OE2 GLU A 46 8.154 4.374 -26.529 1.00 5.12 O ATOM 0 H GLU A 46 6.003 4.125 -22.065 1.00 70.20 H new ATOM 0 HA GLU A 46 3.784 5.054 -23.526 1.00 12.32 H new ATOM 0 HB2 GLU A 46 5.434 5.253 -25.374 1.00 10.22 H new ATOM 0 HB3 GLU A 46 5.991 5.964 -23.872 1.00 10.22 H new ATOM 0 HG2 GLU A 46 7.441 4.062 -23.428 1.00 43.31 H new ATOM 0 HG3 GLU A 46 6.774 3.173 -24.783 1.00 43.31 H new ATOM 674 N ALA A 47 3.250 3.351 -25.371 1.00 23.10 N ATOM 675 CA ALA A 47 2.636 2.261 -26.115 1.00 63.51 C ATOM 676 C ALA A 47 2.077 2.734 -27.453 1.00 73.41 C ATOM 677 O ALA A 47 2.180 3.913 -27.807 1.00 62.32 O ATOM 678 CB ALA A 47 1.536 1.617 -25.287 1.00 61.02 C ATOM 0 H ALA A 47 2.961 4.282 -25.670 1.00 23.10 H new ATOM 0 HA ALA A 47 3.412 1.524 -26.322 1.00 63.51 H new ATOM 0 HB1 ALA A 47 1.084 0.803 -25.853 1.00 61.02 H new ATOM 0 HB2 ALA A 47 1.959 1.225 -24.362 1.00 61.02 H new ATOM 0 HB3 ALA A 47 0.775 2.361 -25.051 1.00 61.02 H new ATOM 684 N ASP A 48 1.469 1.796 -28.169 1.00 43.44 N ATOM 685 CA ASP A 48 0.952 2.025 -29.514 1.00 51.31 C ATOM 686 C ASP A 48 -0.255 2.965 -29.509 1.00 41.22 C ATOM 687 O ASP A 48 -0.734 3.399 -28.451 1.00 41.42 O ATOM 688 CB ASP A 48 0.541 0.684 -30.144 1.00 34.15 C ATOM 689 CG ASP A 48 1.627 -0.374 -30.030 1.00 34.52 C ATOM 690 OD1 ASP A 48 1.758 -0.979 -28.945 1.00 61.52 O ATOM 691 OD2 ASP A 48 2.358 -0.605 -31.015 1.00 44.10 O ATOM 0 H ASP A 48 1.319 0.846 -27.830 1.00 43.44 H new ATOM 0 HA ASP A 48 1.745 2.494 -30.096 1.00 51.31 H new ATOM 0 HB2 ASP A 48 -0.366 0.322 -29.659 1.00 34.15 H new ATOM 0 HB3 ASP A 48 0.300 0.840 -31.196 1.00 34.15 H new ATOM 696 N ARG A 49 -0.762 3.247 -30.704 1.00 53.53 N ATOM 697 CA ARG A 49 -1.941 4.088 -30.868 1.00 35.31 C ATOM 698 C ARG A 49 -3.141 3.455 -30.170 1.00 63.41 C ATOM 699 O ARG A 49 -4.056 4.153 -29.745 1.00 64.05 O ATOM 700 CB ARG A 49 -2.241 4.329 -32.352 1.00 64.50 C ATOM 701 CG ARG A 49 -3.433 5.252 -32.595 1.00 25.32 C ATOM 702 CD ARG A 49 -3.626 5.549 -34.077 1.00 61.13 C ATOM 703 NE ARG A 49 -2.487 6.276 -34.650 1.00 44.12 N ATOM 704 CZ ARG A 49 -2.256 6.403 -35.960 1.00 64.24 C ATOM 705 NH1 ARG A 49 -3.063 5.824 -36.840 1.00 24.55 N ATOM 706 NH2 ARG A 49 -1.215 7.111 -36.385 1.00 74.33 N ATOM 0 H ARG A 49 -0.370 2.902 -31.580 1.00 53.53 H new ATOM 0 HA ARG A 49 -1.740 5.055 -30.407 1.00 35.31 H new ATOM 0 HB2 ARG A 49 -1.358 4.757 -32.827 1.00 64.50 H new ATOM 0 HB3 ARG A 49 -2.430 3.371 -32.836 1.00 64.50 H new ATOM 0 HG2 ARG A 49 -4.337 4.791 -32.196 1.00 25.32 H new ATOM 0 HG3 ARG A 49 -3.286 6.186 -32.053 1.00 25.32 H new ATOM 0 HD2 ARG A 49 -3.767 4.613 -34.618 1.00 61.13 H new ATOM 0 HD3 ARG A 49 -4.535 6.136 -34.213 1.00 61.13 H new ATOM 0 HE ARG A 49 -1.828 6.713 -34.006 1.00 44.12 H new ATOM 0 HH11 ARG A 49 -3.863 5.280 -36.517 1.00 24.55 H new ATOM 0 HH12 ARG A 49 -2.883 5.923 -37.839 1.00 24.55 H new ATOM 0 HH21 ARG A 49 -0.593 7.557 -35.711 1.00 74.33 H new ATOM 0 HH22 ARG A 49 -1.038 7.208 -37.385 1.00 74.33 H new ATOM 720 N ALA A 50 -3.132 2.126 -30.064 1.00 72.03 N ATOM 721 CA ALA A 50 -4.139 1.413 -29.284 1.00 51.03 C ATOM 722 C ALA A 50 -4.229 2.006 -27.881 1.00 12.03 C ATOM 723 O ALA A 50 -5.318 2.267 -27.368 1.00 12.24 O ATOM 724 CB ALA A 50 -3.805 -0.074 -29.217 1.00 12.12 C ATOM 0 H ALA A 50 -2.439 1.524 -30.508 1.00 72.03 H new ATOM 0 HA ALA A 50 -5.107 1.524 -29.773 1.00 51.03 H new ATOM 0 HB1 ALA A 50 -4.565 -0.592 -28.632 1.00 12.12 H new ATOM 0 HB2 ALA A 50 -3.779 -0.487 -30.225 1.00 12.12 H new ATOM 0 HB3 ALA A 50 -2.831 -0.207 -28.746 1.00 12.12 H new ATOM 730 N ALA A 51 -3.065 2.245 -27.287 1.00 52.32 N ATOM 731 CA ALA A 51 -2.975 2.850 -25.964 1.00 4.44 C ATOM 732 C ALA A 51 -3.253 4.345 -26.032 1.00 42.22 C ATOM 733 O ALA A 51 -3.729 4.949 -25.069 1.00 11.11 O ATOM 734 CB ALA A 51 -1.607 2.600 -25.371 1.00 13.05 C ATOM 0 H ALA A 51 -2.162 2.026 -27.707 1.00 52.32 H new ATOM 0 HA ALA A 51 -3.729 2.391 -25.324 1.00 4.44 H new ATOM 0 HB1 ALA A 51 -1.550 3.056 -24.383 1.00 13.05 H new ATOM 0 HB2 ALA A 51 -1.438 1.527 -25.286 1.00 13.05 H new ATOM 0 HB3 ALA A 51 -0.845 3.037 -26.017 1.00 13.05 H new ATOM 740 N CYS A 52 -2.887 4.954 -27.149 1.00 32.44 N ATOM 741 CA CYS A 52 -3.288 6.338 -27.417 1.00 51.42 C ATOM 742 C CYS A 52 -4.808 6.476 -27.302 1.00 23.32 C ATOM 743 O CYS A 52 -5.315 7.432 -26.710 1.00 3.22 O ATOM 744 CB CYS A 52 -2.807 6.794 -28.800 1.00 61.32 C ATOM 745 SG CYS A 52 -3.229 8.505 -29.198 1.00 33.32 S ATOM 0 H CYS A 52 -2.320 4.524 -27.880 1.00 32.44 H new ATOM 0 HA CYS A 52 -2.819 6.982 -26.673 1.00 51.42 H new ATOM 0 HB2 CYS A 52 -1.725 6.676 -28.854 1.00 61.32 H new ATOM 0 HB3 CYS A 52 -3.238 6.139 -29.557 1.00 61.32 H new ATOM 0 HG CYS A 52 -3.275 9.206 -28.104 1.00 33.32 H new ATOM 751 N LEU A 53 -5.527 5.492 -27.839 1.00 43.35 N ATOM 752 CA LEU A 53 -6.986 5.475 -27.785 1.00 74.32 C ATOM 753 C LEU A 53 -7.471 5.268 -26.348 1.00 2.01 C ATOM 754 O LEU A 53 -8.539 5.748 -25.969 1.00 41.12 O ATOM 755 CB LEU A 53 -7.547 4.374 -28.700 1.00 44.01 C ATOM 756 CG LEU A 53 -7.222 4.528 -30.199 1.00 62.22 C ATOM 757 CD1 LEU A 53 -7.797 3.363 -31.003 1.00 70.12 C ATOM 758 CD2 LEU A 53 -7.744 5.862 -30.734 1.00 15.11 C ATOM 0 H LEU A 53 -5.118 4.691 -28.320 1.00 43.35 H new ATOM 0 HA LEU A 53 -7.351 6.440 -28.137 1.00 74.32 H new ATOM 0 HB2 LEU A 53 -7.163 3.412 -28.360 1.00 44.01 H new ATOM 0 HB3 LEU A 53 -8.630 4.345 -28.582 1.00 44.01 H new ATOM 0 HG LEU A 53 -6.138 4.516 -30.311 1.00 62.22 H new ATOM 0 HD11 LEU A 53 -7.555 3.494 -32.058 1.00 70.12 H new ATOM 0 HD12 LEU A 53 -7.367 2.427 -30.646 1.00 70.12 H new ATOM 0 HD13 LEU A 53 -8.880 3.335 -30.880 1.00 70.12 H new ATOM 0 HD21 LEU A 53 -7.503 5.948 -31.794 1.00 15.11 H new ATOM 0 HD22 LEU A 53 -8.825 5.909 -30.603 1.00 15.11 H new ATOM 0 HD23 LEU A 53 -7.276 6.681 -30.188 1.00 15.11 H new ATOM 770 N GLU A 54 -6.674 4.560 -25.549 1.00 54.41 N ATOM 771 CA GLU A 54 -7.024 4.286 -24.154 1.00 14.33 C ATOM 772 C GLU A 54 -6.948 5.558 -23.309 1.00 52.22 C ATOM 773 O GLU A 54 -7.900 5.900 -22.606 1.00 22.30 O ATOM 774 CB GLU A 54 -6.099 3.211 -23.565 1.00 0.25 C ATOM 775 CG GLU A 54 -6.158 1.877 -24.301 1.00 41.53 C ATOM 776 CD GLU A 54 -5.160 0.857 -23.772 1.00 73.12 C ATOM 777 OE1 GLU A 54 -4.201 1.252 -23.077 1.00 55.44 O ATOM 778 OE2 GLU A 54 -5.321 -0.347 -24.068 1.00 65.32 O ATOM 0 H GLU A 54 -5.781 4.165 -25.843 1.00 54.41 H new ATOM 0 HA GLU A 54 -8.050 3.919 -24.135 1.00 14.33 H new ATOM 0 HB2 GLU A 54 -5.073 3.579 -23.581 1.00 0.25 H new ATOM 0 HB3 GLU A 54 -6.363 3.051 -22.520 1.00 0.25 H new ATOM 0 HG2 GLU A 54 -7.165 1.468 -24.218 1.00 41.53 H new ATOM 0 HG3 GLU A 54 -5.969 2.045 -25.361 1.00 41.53 H new ATOM 785 N TYR A 55 -5.817 6.260 -23.387 1.00 63.34 N ATOM 786 CA TYR A 55 -5.613 7.469 -22.581 1.00 53.30 C ATOM 787 C TYR A 55 -6.689 8.523 -22.859 1.00 12.43 C ATOM 788 O TYR A 55 -7.196 9.148 -21.928 1.00 25.40 O ATOM 789 CB TYR A 55 -4.196 8.045 -22.793 1.00 54.33 C ATOM 790 CG TYR A 55 -4.085 9.551 -22.602 1.00 33.53 C ATOM 791 CD1 TYR A 55 -3.996 10.107 -21.332 1.00 42.04 C ATOM 792 CD2 TYR A 55 -4.068 10.415 -23.696 1.00 54.33 C ATOM 793 CE1 TYR A 55 -3.899 11.474 -21.156 1.00 5.14 C ATOM 794 CE2 TYR A 55 -3.971 11.783 -23.524 1.00 14.43 C ATOM 795 CZ TYR A 55 -3.887 12.306 -22.254 1.00 71.24 C ATOM 796 OH TYR A 55 -3.787 13.668 -22.076 1.00 1.32 O ATOM 0 H TYR A 55 -5.034 6.017 -23.993 1.00 63.34 H new ATOM 0 HA TYR A 55 -5.705 7.183 -21.533 1.00 53.30 H new ATOM 0 HB2 TYR A 55 -3.512 7.554 -22.101 1.00 54.33 H new ATOM 0 HB3 TYR A 55 -3.864 7.795 -23.801 1.00 54.33 H new ATOM 0 HD1 TYR A 55 -4.003 9.460 -20.468 1.00 42.04 H new ATOM 0 HD2 TYR A 55 -4.132 10.009 -24.695 1.00 54.33 H new ATOM 0 HE1 TYR A 55 -3.833 11.889 -20.161 1.00 5.14 H new ATOM 0 HE2 TYR A 55 -3.961 12.438 -24.382 1.00 14.43 H new ATOM 0 HH TYR A 55 -3.791 14.113 -22.949 1.00 1.32 H new ATOM 806 N ILE A 56 -7.050 8.713 -24.127 1.00 72.14 N ATOM 807 CA ILE A 56 -8.055 9.717 -24.485 1.00 54.34 C ATOM 808 C ILE A 56 -9.455 9.284 -24.033 1.00 35.30 C ATOM 809 O ILE A 56 -10.195 10.073 -23.439 1.00 14.25 O ATOM 810 CB ILE A 56 -8.063 10.029 -26.009 1.00 50.34 C ATOM 811 CG1 ILE A 56 -9.200 11.008 -26.355 1.00 13.53 C ATOM 812 CG2 ILE A 56 -8.189 8.751 -26.830 1.00 54.41 C ATOM 813 CD1 ILE A 56 -9.235 11.427 -27.811 1.00 32.34 C ATOM 0 H ILE A 56 -6.668 8.193 -24.917 1.00 72.14 H new ATOM 0 HA ILE A 56 -7.778 10.631 -23.960 1.00 54.34 H new ATOM 0 HB ILE A 56 -7.112 10.499 -26.261 1.00 50.34 H new ATOM 0 HG12 ILE A 56 -10.153 10.546 -26.098 1.00 13.53 H new ATOM 0 HG13 ILE A 56 -9.100 11.898 -25.734 1.00 13.53 H new ATOM 0 HG21 ILE A 56 -8.192 8.999 -27.891 1.00 54.41 H new ATOM 0 HG22 ILE A 56 -7.346 8.095 -26.613 1.00 54.41 H new ATOM 0 HG23 ILE A 56 -9.119 8.244 -26.573 1.00 54.41 H new ATOM 0 HD11 ILE A 56 -10.064 12.116 -27.971 1.00 32.34 H new ATOM 0 HD12 ILE A 56 -8.298 11.920 -28.070 1.00 32.34 H new ATOM 0 HD13 ILE A 56 -9.368 10.547 -28.440 1.00 32.34 H new ATOM 825 N GLU A 57 -9.799 8.022 -24.294 1.00 31.32 N ATOM 826 CA GLU A 57 -11.125 7.501 -23.968 1.00 13.01 C ATOM 827 C GLU A 57 -11.338 7.503 -22.456 1.00 51.21 C ATOM 828 O GLU A 57 -12.314 8.067 -21.956 1.00 71.31 O ATOM 829 CB GLU A 57 -11.294 6.083 -24.541 1.00 52.35 C ATOM 830 CG GLU A 57 -12.713 5.521 -24.427 1.00 14.33 C ATOM 831 CD GLU A 57 -12.861 4.127 -25.030 1.00 72.01 C ATOM 832 OE1 GLU A 57 -12.229 3.851 -26.073 1.00 53.13 O ATOM 833 OE2 GLU A 57 -13.615 3.299 -24.465 1.00 43.21 O ATOM 0 H GLU A 57 -9.176 7.342 -24.731 1.00 31.32 H new ATOM 0 HA GLU A 57 -11.878 8.146 -24.420 1.00 13.01 H new ATOM 0 HB2 GLU A 57 -11.003 6.091 -25.591 1.00 52.35 H new ATOM 0 HB3 GLU A 57 -10.608 5.411 -24.025 1.00 52.35 H new ATOM 0 HG2 GLU A 57 -12.999 5.487 -23.376 1.00 14.33 H new ATOM 0 HG3 GLU A 57 -13.406 6.200 -24.924 1.00 14.33 H new ATOM 840 N GLU A 58 -10.395 6.901 -21.734 1.00 12.22 N ATOM 841 CA GLU A 58 -10.473 6.808 -20.278 1.00 60.15 C ATOM 842 C GLU A 58 -10.249 8.184 -19.644 1.00 33.10 C ATOM 843 O GLU A 58 -10.838 8.505 -18.609 1.00 31.32 O ATOM 844 CB GLU A 58 -9.432 5.808 -19.753 1.00 74.11 C ATOM 845 CG GLU A 58 -9.686 5.344 -18.320 1.00 63.14 C ATOM 846 CD GLU A 58 -10.946 4.495 -18.198 1.00 0.13 C ATOM 847 OE1 GLU A 58 -10.971 3.385 -18.775 1.00 74.42 O ATOM 848 OE2 GLU A 58 -11.910 4.919 -17.525 1.00 52.44 O ATOM 0 H GLU A 58 -9.564 6.468 -22.137 1.00 12.22 H new ATOM 0 HA GLU A 58 -11.468 6.455 -20.005 1.00 60.15 H new ATOM 0 HB2 GLU A 58 -9.416 4.937 -20.409 1.00 74.11 H new ATOM 0 HB3 GLU A 58 -8.444 6.265 -19.806 1.00 74.11 H new ATOM 0 HG2 GLU A 58 -8.829 4.769 -17.970 1.00 63.14 H new ATOM 0 HG3 GLU A 58 -9.773 6.214 -17.669 1.00 63.14 H new ATOM 855 N HIS A 59 -9.401 8.992 -20.299 1.00 11.51 N ATOM 856 CA HIS A 59 -9.036 10.342 -19.840 1.00 45.14 C ATOM 857 C HIS A 59 -8.806 10.386 -18.327 1.00 52.43 C ATOM 858 O HIS A 59 -9.501 11.090 -17.590 1.00 13.30 O ATOM 859 CB HIS A 59 -10.071 11.398 -20.293 1.00 40.10 C ATOM 860 CG HIS A 59 -11.490 11.101 -19.909 1.00 63.15 C ATOM 861 ND1 HIS A 59 -12.387 10.498 -20.763 1.00 32.20 N ATOM 862 CD2 HIS A 59 -12.168 11.328 -18.759 1.00 71.52 C ATOM 863 CE1 HIS A 59 -13.548 10.371 -20.156 1.00 40.20 C ATOM 864 NE2 HIS A 59 -13.447 10.864 -18.934 1.00 25.42 N ATOM 0 H HIS A 59 -8.945 8.724 -21.171 1.00 11.51 H new ATOM 0 HA HIS A 59 -8.088 10.596 -20.314 1.00 45.14 H new ATOM 0 HB2 HIS A 59 -9.791 12.363 -19.871 1.00 40.10 H new ATOM 0 HB3 HIS A 59 -10.017 11.496 -21.377 1.00 40.10 H new ATOM 0 HD1 HIS A 59 -12.183 10.197 -21.716 1.00 32.20 H new ATOM 0 HD2 HIS A 59 -11.773 11.790 -17.866 1.00 71.52 H new ATOM 0 HE1 HIS A 59 -14.438 9.935 -20.586 1.00 40.20 H new ATOM 0 HE2 HIS A 59 -14.193 10.894 -18.239 1.00 25.42 H new ATOM 873 N TRP A 60 -7.821 9.611 -17.879 1.00 72.13 N ATOM 874 CA TRP A 60 -7.484 9.510 -16.460 1.00 71.34 C ATOM 875 C TRP A 60 -6.506 10.624 -16.031 1.00 40.15 C ATOM 876 O TRP A 60 -6.774 11.334 -15.060 1.00 70.12 O ATOM 877 CB TRP A 60 -6.916 8.108 -16.159 1.00 31.04 C ATOM 878 CG TRP A 60 -6.556 7.871 -14.717 1.00 11.01 C ATOM 879 CD1 TRP A 60 -7.216 8.334 -13.616 1.00 44.10 C ATOM 880 CD2 TRP A 60 -5.463 7.084 -14.229 1.00 62.15 C ATOM 881 NE1 TRP A 60 -6.593 7.895 -12.473 1.00 64.53 N ATOM 882 CE2 TRP A 60 -5.515 7.124 -12.822 1.00 60.21 C ATOM 883 CE3 TRP A 60 -4.447 6.352 -14.846 1.00 74.23 C ATOM 884 CZ2 TRP A 60 -4.586 6.459 -12.025 1.00 64.01 C ATOM 885 CZ3 TRP A 60 -3.526 5.692 -14.055 1.00 24.12 C ATOM 886 CH2 TRP A 60 -3.601 5.749 -12.657 1.00 3.21 C ATOM 0 H TRP A 60 -7.236 9.037 -18.486 1.00 72.13 H new ATOM 0 HA TRP A 60 -8.393 9.649 -15.874 1.00 71.34 H new ATOM 0 HB2 TRP A 60 -7.649 7.361 -16.464 1.00 31.04 H new ATOM 0 HB3 TRP A 60 -6.028 7.952 -16.771 1.00 31.04 H new ATOM 0 HD1 TRP A 60 -8.099 8.955 -13.640 1.00 44.10 H new ATOM 0 HE1 TRP A 60 -6.885 8.108 -11.519 1.00 64.53 H new ATOM 0 HE3 TRP A 60 -4.382 6.302 -15.923 1.00 74.23 H new ATOM 0 HZ2 TRP A 60 -4.641 6.502 -10.947 1.00 64.01 H new ATOM 0 HZ3 TRP A 60 -2.736 5.123 -14.522 1.00 24.12 H new ATOM 0 HH2 TRP A 60 -2.867 5.222 -12.066 1.00 3.21 H new ATOM 897 N PRO A 61 -5.354 10.801 -16.727 1.00 53.15 N ATOM 898 CA PRO A 61 -4.391 11.862 -16.390 1.00 60.42 C ATOM 899 C PRO A 61 -4.957 13.260 -16.663 1.00 63.32 C ATOM 900 O PRO A 61 -4.944 14.130 -15.788 1.00 74.04 O ATOM 901 CB PRO A 61 -3.179 11.574 -17.295 1.00 23.13 C ATOM 902 CG PRO A 61 -3.389 10.180 -17.788 1.00 54.12 C ATOM 903 CD PRO A 61 -4.878 9.996 -17.864 1.00 12.01 C ATOM 0 HA PRO A 61 -4.139 11.857 -15.330 1.00 60.42 H new ATOM 0 HB2 PRO A 61 -3.127 12.282 -18.122 1.00 23.13 H new ATOM 0 HB3 PRO A 61 -2.244 11.661 -16.742 1.00 23.13 H new ATOM 0 HG2 PRO A 61 -2.926 10.036 -18.764 1.00 54.12 H new ATOM 0 HG3 PRO A 61 -2.939 9.453 -17.112 1.00 54.12 H new ATOM 0 HD2 PRO A 61 -5.283 10.351 -18.811 1.00 12.01 H new ATOM 0 HD3 PRO A 61 -5.163 8.948 -17.768 1.00 12.01 H new ATOM 911 N ASP A 62 -5.450 13.470 -17.883 1.00 32.11 N ATOM 912 CA ASP A 62 -6.051 14.747 -18.263 1.00 14.31 C ATOM 913 C ASP A 62 -7.566 14.602 -18.335 1.00 34.34 C ATOM 914 O ASP A 62 -8.079 13.651 -18.933 1.00 74.44 O ATOM 915 CB ASP A 62 -5.504 15.241 -19.608 1.00 44.51 C ATOM 916 CG ASP A 62 -5.950 16.663 -19.921 1.00 24.42 C ATOM 917 OD1 ASP A 62 -5.262 17.615 -19.490 1.00 14.01 O ATOM 918 OD2 ASP A 62 -6.992 16.842 -20.585 1.00 61.41 O ATOM 0 H ASP A 62 -5.445 12.771 -18.626 1.00 32.11 H new ATOM 0 HA ASP A 62 -5.792 15.486 -17.504 1.00 14.31 H new ATOM 0 HB2 ASP A 62 -4.415 15.198 -19.594 1.00 44.51 H new ATOM 0 HB3 ASP A 62 -5.839 14.574 -20.402 1.00 44.51 H new ATOM 923 N ILE A 63 -8.275 15.543 -17.728 1.00 0.00 N ATOM 924 CA ILE A 63 -9.722 15.455 -17.605 1.00 44.50 C ATOM 925 C ILE A 63 -10.409 15.966 -18.871 1.00 32.32 C ATOM 926 O ILE A 63 -10.660 17.167 -19.016 1.00 13.12 O ATOM 927 CB ILE A 63 -10.257 16.236 -16.364 1.00 41.40 C ATOM 928 CG1 ILE A 63 -9.688 15.658 -15.047 1.00 23.02 C ATOM 929 CG2 ILE A 63 -11.788 16.217 -16.333 1.00 3.52 C ATOM 930 CD1 ILE A 63 -8.211 15.929 -14.822 1.00 43.03 C ATOM 0 H ILE A 63 -7.868 16.380 -17.311 1.00 0.00 H new ATOM 0 HA ILE A 63 -9.960 14.400 -17.466 1.00 44.50 H new ATOM 0 HB ILE A 63 -9.920 17.269 -16.453 1.00 41.40 H new ATOM 0 HG12 ILE A 63 -10.251 16.072 -14.211 1.00 23.02 H new ATOM 0 HG13 ILE A 63 -9.851 14.580 -15.038 1.00 23.02 H new ATOM 0 HG21 ILE A 63 -12.141 16.767 -15.460 1.00 3.52 H new ATOM 0 HG22 ILE A 63 -12.176 16.685 -17.238 1.00 3.52 H new ATOM 0 HG23 ILE A 63 -12.138 15.186 -16.278 1.00 3.52 H new ATOM 0 HD11 ILE A 63 -7.900 15.487 -13.875 1.00 43.03 H new ATOM 0 HD12 ILE A 63 -7.633 15.490 -15.635 1.00 43.03 H new ATOM 0 HD13 ILE A 63 -8.039 17.005 -14.794 1.00 43.03 H new ATOM 942 N ARG A 64 -10.654 15.054 -19.810 1.00 63.13 N ATOM 943 CA ARG A 64 -11.515 15.337 -20.957 1.00 42.30 C ATOM 944 C ARG A 64 -12.977 15.203 -20.505 1.00 24.20 C ATOM 945 O ARG A 64 -13.482 14.089 -20.333 1.00 71.42 O ATOM 946 CB ARG A 64 -11.190 14.379 -22.123 1.00 5.01 C ATOM 947 CG ARG A 64 -12.018 14.606 -23.392 1.00 72.23 C ATOM 948 CD ARG A 64 -11.568 13.687 -24.531 1.00 23.51 C ATOM 949 NE ARG A 64 -12.493 13.708 -25.672 1.00 24.12 N ATOM 950 CZ ARG A 64 -12.215 14.231 -26.870 1.00 51.34 C ATOM 951 NH1 ARG A 64 -11.050 14.834 -27.093 1.00 21.41 N ATOM 952 NH2 ARG A 64 -13.106 14.146 -27.849 1.00 1.45 N ATOM 0 H ARG A 64 -10.267 14.110 -19.799 1.00 63.13 H new ATOM 0 HA ARG A 64 -11.344 16.350 -21.321 1.00 42.30 H new ATOM 0 HB2 ARG A 64 -10.134 14.479 -22.373 1.00 5.01 H new ATOM 0 HB3 ARG A 64 -11.342 13.354 -21.785 1.00 5.01 H new ATOM 0 HG2 ARG A 64 -13.072 14.429 -23.176 1.00 72.23 H new ATOM 0 HG3 ARG A 64 -11.927 15.646 -23.705 1.00 72.23 H new ATOM 0 HD2 ARG A 64 -10.576 13.989 -24.867 1.00 23.51 H new ATOM 0 HD3 ARG A 64 -11.481 12.667 -24.157 1.00 23.51 H new ATOM 0 HE ARG A 64 -13.415 13.293 -25.540 1.00 24.12 H new ATOM 0 HH11 ARG A 64 -10.359 14.900 -26.346 1.00 21.41 H new ATOM 0 HH12 ARG A 64 -10.848 15.230 -28.011 1.00 21.41 H new ATOM 0 HH21 ARG A 64 -14.000 13.683 -27.686 1.00 1.45 H new ATOM 0 HH22 ARG A 64 -12.897 14.544 -28.765 1.00 1.45 H new ATOM 966 N PRO A 65 -13.663 16.341 -20.272 1.00 13.42 N ATOM 967 CA PRO A 65 -14.966 16.363 -19.592 1.00 21.15 C ATOM 968 C PRO A 65 -16.100 15.780 -20.434 1.00 52.11 C ATOM 969 O PRO A 65 -16.119 15.925 -21.656 1.00 62.12 O ATOM 970 CB PRO A 65 -15.198 17.857 -19.328 1.00 31.52 C ATOM 971 CG PRO A 65 -14.455 18.546 -20.422 1.00 32.30 C ATOM 972 CD PRO A 65 -13.240 17.697 -20.692 1.00 31.11 C ATOM 0 HA PRO A 65 -14.959 15.747 -18.693 1.00 21.15 H new ATOM 0 HB2 PRO A 65 -16.259 18.105 -19.351 1.00 31.52 H new ATOM 0 HB3 PRO A 65 -14.824 18.150 -18.347 1.00 31.52 H new ATOM 0 HG2 PRO A 65 -15.073 18.640 -21.315 1.00 32.30 H new ATOM 0 HG3 PRO A 65 -14.169 19.555 -20.125 1.00 32.30 H new ATOM 0 HD2 PRO A 65 -12.960 17.721 -21.745 1.00 31.11 H new ATOM 0 HD3 PRO A 65 -12.376 18.041 -20.124 1.00 31.11 H new ATOM 980 N LYS A 66 -17.029 15.098 -19.753 1.00 32.35 N ATOM 981 CA LYS A 66 -18.251 14.568 -20.369 1.00 12.54 C ATOM 982 C LYS A 66 -17.947 13.615 -21.528 1.00 64.54 C ATOM 983 O LYS A 66 -18.838 13.271 -22.312 1.00 64.34 O ATOM 984 CB LYS A 66 -19.151 15.720 -20.845 1.00 13.42 C ATOM 985 CG LYS A 66 -19.484 16.729 -19.746 1.00 20.12 C ATOM 986 CD LYS A 66 -20.483 17.782 -20.219 1.00 14.20 C ATOM 987 CE LYS A 66 -21.858 17.180 -20.491 1.00 34.20 C ATOM 988 NZ LYS A 66 -22.455 16.566 -19.274 1.00 63.22 N ATOM 0 H LYS A 66 -16.954 14.898 -18.756 1.00 32.35 H new ATOM 0 HA LYS A 66 -18.776 13.993 -19.607 1.00 12.54 H new ATOM 0 HB2 LYS A 66 -18.658 16.240 -21.667 1.00 13.42 H new ATOM 0 HB3 LYS A 66 -20.079 15.306 -21.240 1.00 13.42 H new ATOM 0 HG2 LYS A 66 -19.893 16.203 -18.883 1.00 20.12 H new ATOM 0 HG3 LYS A 66 -18.569 17.220 -19.416 1.00 20.12 H new ATOM 0 HD2 LYS A 66 -20.572 18.563 -19.464 1.00 14.20 H new ATOM 0 HD3 LYS A 66 -20.108 18.256 -21.126 1.00 14.20 H new ATOM 0 HE2 LYS A 66 -22.524 17.956 -20.868 1.00 34.20 H new ATOM 0 HE3 LYS A 66 -21.774 16.425 -21.273 1.00 34.20 H new ATOM 0 HZ1 LYS A 66 -23.470 16.401 -19.431 1.00 63.22 H new ATOM 0 HZ2 LYS A 66 -21.983 15.661 -19.075 1.00 63.22 H new ATOM 0 HZ3 LYS A 66 -22.330 17.207 -18.465 1.00 63.22 H new ATOM 1002 N SER A 67 -16.701 13.165 -21.612 1.00 62.31 N ATOM 1003 CA SER A 67 -16.278 12.272 -22.677 1.00 54.23 C ATOM 1004 C SER A 67 -16.682 10.834 -22.355 1.00 53.41 C ATOM 1005 O SER A 67 -15.849 9.989 -22.030 1.00 22.22 O ATOM 1006 CB SER A 67 -14.761 12.392 -22.886 1.00 60.21 C ATOM 1007 OG SER A 67 -14.313 11.631 -23.996 1.00 72.44 O ATOM 0 H SER A 67 -15.964 13.407 -20.950 1.00 62.31 H new ATOM 0 HA SER A 67 -16.774 12.557 -23.605 1.00 54.23 H new ATOM 0 HB2 SER A 67 -14.498 13.439 -23.035 1.00 60.21 H new ATOM 0 HB3 SER A 67 -14.244 12.059 -21.986 1.00 60.21 H new ATOM 0 HG SER A 67 -14.700 11.994 -24.820 1.00 72.44 H new ATOM 1013 N LEU A 68 -17.987 10.585 -22.382 1.00 64.11 N ATOM 1014 CA LEU A 68 -18.519 9.235 -22.242 1.00 43.11 C ATOM 1015 C LEU A 68 -18.914 8.726 -23.623 1.00 71.30 C ATOM 1016 O LEU A 68 -18.221 7.899 -24.210 1.00 53.54 O ATOM 1017 CB LEU A 68 -19.723 9.194 -21.278 1.00 3.52 C ATOM 1018 CG LEU A 68 -19.398 9.395 -19.783 1.00 74.14 C ATOM 1019 CD1 LEU A 68 -18.922 10.817 -19.500 1.00 65.05 C ATOM 1020 CD2 LEU A 68 -20.609 9.050 -18.918 1.00 63.42 C ATOM 0 H LEU A 68 -18.699 11.306 -22.500 1.00 64.11 H new ATOM 0 HA LEU A 68 -17.751 8.591 -21.812 1.00 43.11 H new ATOM 0 HB2 LEU A 68 -20.433 9.963 -21.582 1.00 3.52 H new ATOM 0 HB3 LEU A 68 -20.224 8.233 -21.395 1.00 3.52 H new ATOM 0 HG LEU A 68 -18.584 8.717 -19.527 1.00 74.14 H new ATOM 0 HD11 LEU A 68 -18.702 10.922 -18.438 1.00 65.05 H new ATOM 0 HD12 LEU A 68 -18.021 11.021 -20.079 1.00 65.05 H new ATOM 0 HD13 LEU A 68 -19.702 11.525 -19.781 1.00 65.05 H new ATOM 0 HD21 LEU A 68 -20.360 9.198 -17.867 1.00 63.42 H new ATOM 0 HD22 LEU A 68 -21.444 9.696 -19.187 1.00 63.42 H new ATOM 0 HD23 LEU A 68 -20.888 8.009 -19.081 1.00 63.42 H new ATOM 1032 N ARG A 69 -20.018 9.247 -24.152 1.00 72.54 N ATOM 1033 CA ARG A 69 -20.403 8.973 -25.530 1.00 51.11 C ATOM 1034 C ARG A 69 -19.797 10.043 -26.432 1.00 31.31 C ATOM 1035 O ARG A 69 -20.503 10.919 -26.942 1.00 25.43 O ATOM 1036 CB ARG A 69 -21.937 8.926 -25.688 1.00 23.24 C ATOM 1037 CG ARG A 69 -22.622 7.861 -24.832 1.00 3.32 C ATOM 1038 CD ARG A 69 -22.011 6.474 -25.033 1.00 63.15 C ATOM 1039 NE ARG A 69 -22.804 5.421 -24.384 1.00 63.40 N ATOM 1040 CZ ARG A 69 -22.825 5.189 -23.068 1.00 21.44 C ATOM 1041 NH1 ARG A 69 -22.082 5.920 -22.243 1.00 44.15 N ATOM 1042 NH2 ARG A 69 -23.585 4.216 -22.580 1.00 11.13 N ATOM 0 H ARG A 69 -20.659 9.859 -23.647 1.00 72.54 H new ATOM 0 HA ARG A 69 -20.023 7.993 -25.818 1.00 51.11 H new ATOM 0 HB2 ARG A 69 -22.348 9.902 -25.431 1.00 23.24 H new ATOM 0 HB3 ARG A 69 -22.178 8.745 -26.735 1.00 23.24 H new ATOM 0 HG2 ARG A 69 -22.547 8.140 -23.781 1.00 3.32 H new ATOM 0 HG3 ARG A 69 -23.683 7.827 -25.078 1.00 3.32 H new ATOM 0 HD2 ARG A 69 -21.934 6.264 -26.100 1.00 63.15 H new ATOM 0 HD3 ARG A 69 -20.998 6.463 -24.632 1.00 63.15 H new ATOM 0 HE ARG A 69 -23.379 4.825 -24.980 1.00 63.40 H new ATOM 0 HH11 ARG A 69 -21.491 6.664 -22.613 1.00 44.15 H new ATOM 0 HH12 ARG A 69 -22.103 5.737 -21.240 1.00 44.15 H new ATOM 0 HH21 ARG A 69 -24.151 3.647 -23.209 1.00 11.13 H new ATOM 0 HH22 ARG A 69 -23.602 4.037 -21.576 1.00 11.13 H new ATOM 1056 N ASP A 70 -18.474 9.987 -26.587 1.00 3.11 N ATOM 1057 CA ASP A 70 -17.738 11.003 -27.335 1.00 55.45 C ATOM 1058 C ASP A 70 -18.226 11.035 -28.780 1.00 61.12 C ATOM 1059 O ASP A 70 -17.976 10.108 -29.552 1.00 62.15 O ATOM 1060 CB ASP A 70 -16.229 10.726 -27.278 1.00 35.03 C ATOM 1061 CG ASP A 70 -15.399 11.974 -27.555 1.00 22.05 C ATOM 1062 OD1 ASP A 70 -15.096 12.257 -28.732 1.00 32.01 O ATOM 1063 OD2 ASP A 70 -15.049 12.682 -26.581 1.00 72.12 O ATOM 0 H ASP A 70 -17.889 9.245 -26.202 1.00 3.11 H new ATOM 0 HA ASP A 70 -17.919 11.977 -26.881 1.00 55.45 H new ATOM 0 HB2 ASP A 70 -15.971 10.332 -26.295 1.00 35.03 H new ATOM 0 HB3 ASP A 70 -15.976 9.955 -28.006 1.00 35.03 H new ATOM 1068 N LYS A 71 -18.966 12.088 -29.117 1.00 32.23 N ATOM 1069 CA LYS A 71 -19.587 12.224 -30.432 1.00 5.13 C ATOM 1070 C LYS A 71 -20.447 10.991 -30.744 1.00 53.24 C ATOM 1071 O LYS A 71 -20.316 10.345 -31.785 1.00 70.21 O ATOM 1072 CB LYS A 71 -18.512 12.513 -31.511 1.00 1.23 C ATOM 1073 CG LYS A 71 -19.030 12.672 -32.954 1.00 12.31 C ATOM 1074 CD LYS A 71 -18.669 11.466 -33.829 1.00 64.40 C ATOM 1075 CE LYS A 71 -19.205 11.607 -35.249 1.00 71.42 C ATOM 1076 NZ LYS A 71 -18.476 12.648 -36.020 1.00 55.15 N ATOM 0 H LYS A 71 -19.152 12.869 -28.488 1.00 32.23 H new ATOM 0 HA LYS A 71 -20.261 13.081 -30.433 1.00 5.13 H new ATOM 0 HB2 LYS A 71 -17.983 13.425 -31.233 1.00 1.23 H new ATOM 0 HB3 LYS A 71 -17.782 11.703 -31.495 1.00 1.23 H new ATOM 0 HG2 LYS A 71 -20.113 12.798 -32.939 1.00 12.31 H new ATOM 0 HG3 LYS A 71 -18.610 13.577 -33.393 1.00 12.31 H new ATOM 0 HD2 LYS A 71 -17.585 11.353 -33.861 1.00 64.40 H new ATOM 0 HD3 LYS A 71 -19.071 10.559 -33.379 1.00 64.40 H new ATOM 0 HE2 LYS A 71 -19.122 10.650 -35.764 1.00 71.42 H new ATOM 0 HE3 LYS A 71 -20.265 11.859 -35.213 1.00 71.42 H new ATOM 0 HZ1 LYS A 71 -18.850 12.687 -36.990 1.00 55.15 H new ATOM 0 HZ2 LYS A 71 -18.604 13.573 -35.562 1.00 55.15 H new ATOM 0 HZ3 LYS A 71 -17.463 12.413 -36.049 1.00 55.15 H new ATOM 1090 N LEU A 72 -21.311 10.651 -29.785 1.00 31.23 N ATOM 1091 CA LEU A 72 -22.335 9.620 -29.967 1.00 75.41 C ATOM 1092 C LEU A 72 -21.710 8.215 -30.015 1.00 62.01 C ATOM 1093 O LEU A 72 -22.416 7.214 -30.148 1.00 24.31 O ATOM 1094 CB LEU A 72 -23.154 9.913 -31.247 1.00 44.43 C ATOM 1095 CG LEU A 72 -24.684 9.737 -31.135 1.00 35.43 C ATOM 1096 CD1 LEU A 72 -25.372 10.228 -32.407 1.00 41.32 C ATOM 1097 CD2 LEU A 72 -25.060 8.283 -30.852 1.00 22.35 C ATOM 0 H LEU A 72 -21.320 11.082 -28.861 1.00 31.23 H new ATOM 0 HA LEU A 72 -23.008 9.643 -29.110 1.00 75.41 H new ATOM 0 HB2 LEU A 72 -22.949 10.938 -31.557 1.00 44.43 H new ATOM 0 HB3 LEU A 72 -22.792 9.261 -32.042 1.00 44.43 H new ATOM 0 HG LEU A 72 -25.028 10.339 -30.294 1.00 35.43 H new ATOM 0 HD11 LEU A 72 -26.450 10.097 -32.311 1.00 41.32 H new ATOM 0 HD12 LEU A 72 -25.147 11.284 -32.558 1.00 41.32 H new ATOM 0 HD13 LEU A 72 -25.011 9.654 -33.261 1.00 41.32 H new ATOM 0 HD21 LEU A 72 -26.144 8.195 -30.779 1.00 22.35 H new ATOM 0 HD22 LEU A 72 -24.698 7.649 -31.662 1.00 22.35 H new ATOM 0 HD23 LEU A 72 -24.606 7.966 -29.913 1.00 22.35 H new ATOM 1109 N ALA A 73 -20.387 8.140 -29.890 1.00 21.05 N ATOM 1110 CA ALA A 73 -19.684 6.860 -29.919 1.00 32.42 C ATOM 1111 C ALA A 73 -19.769 6.166 -28.562 1.00 24.44 C ATOM 1112 O ALA A 73 -19.861 6.821 -27.525 1.00 3.22 O ATOM 1113 CB ALA A 73 -18.230 7.066 -30.324 1.00 13.24 C ATOM 0 H ALA A 73 -19.780 8.951 -29.768 1.00 21.05 H new ATOM 0 HA ALA A 73 -20.164 6.219 -30.659 1.00 32.42 H new ATOM 0 HB1 ALA A 73 -17.717 6.104 -30.342 1.00 13.24 H new ATOM 0 HB2 ALA A 73 -18.189 7.517 -31.315 1.00 13.24 H new ATOM 0 HB3 ALA A 73 -17.742 7.724 -29.605 1.00 13.24 H new ATOM 1119 N THR A 74 -19.755 4.839 -28.573 1.00 10.11 N ATOM 1120 CA THR A 74 -19.810 4.060 -27.345 1.00 74.24 C ATOM 1121 C THR A 74 -18.461 4.093 -26.621 1.00 61.13 C ATOM 1122 O THR A 74 -17.441 3.696 -27.188 1.00 15.44 O ATOM 1123 CB THR A 74 -20.196 2.595 -27.649 1.00 41.53 C ATOM 1124 OG1 THR A 74 -19.324 2.067 -28.662 1.00 14.22 O ATOM 1125 CG2 THR A 74 -21.646 2.489 -28.115 1.00 11.04 C ATOM 0 H THR A 74 -19.706 4.279 -29.424 1.00 10.11 H new ATOM 0 HA THR A 74 -20.569 4.504 -26.701 1.00 74.24 H new ATOM 0 HB THR A 74 -20.091 2.018 -26.730 1.00 41.53 H new ATOM 0 HG1 THR A 74 -18.409 2.379 -28.501 1.00 14.22 H new ATOM 0 HG21 THR A 74 -21.887 1.446 -28.321 1.00 11.04 H new ATOM 0 HG22 THR A 74 -22.307 2.867 -27.335 1.00 11.04 H new ATOM 0 HG23 THR A 74 -21.781 3.078 -29.022 1.00 11.04 H new ATOM 1133 N GLY A 75 -18.460 4.570 -25.378 1.00 52.32 N ATOM 1134 CA GLY A 75 -17.235 4.634 -24.601 1.00 72.52 C ATOM 1135 C GLY A 75 -17.483 5.043 -23.165 1.00 42.43 C ATOM 1136 O GLY A 75 -18.598 5.442 -22.807 1.00 43.23 O ATOM 0 H GLY A 75 -19.290 4.914 -24.895 1.00 52.32 H new ATOM 0 HA2 GLY A 75 -16.745 3.660 -24.619 1.00 72.52 H new ATOM 0 HA3 GLY A 75 -16.550 5.344 -25.065 1.00 72.52 H new ATOM 1140 N ARG A 76 -16.444 4.927 -22.346 1.00 35.04 N ATOM 1141 CA ARG A 76 -16.481 5.345 -20.950 1.00 4.50 C ATOM 1142 C ARG A 76 -15.099 5.817 -20.524 1.00 12.31 C ATOM 1143 O ARG A 76 -14.087 5.422 -21.107 1.00 73.20 O ATOM 1144 CB ARG A 76 -16.935 4.207 -20.018 1.00 60.21 C ATOM 1145 CG ARG A 76 -18.423 3.884 -20.086 1.00 70.14 C ATOM 1146 CD ARG A 76 -18.830 2.898 -18.995 1.00 54.54 C ATOM 1147 NE ARG A 76 -20.275 2.665 -18.971 1.00 2.04 N ATOM 1148 CZ ARG A 76 -21.018 2.634 -17.859 1.00 41.13 C ATOM 1149 NH1 ARG A 76 -20.457 2.821 -16.666 1.00 34.14 N ATOM 1150 NH2 ARG A 76 -22.321 2.412 -17.942 1.00 60.43 N ATOM 0 H ARG A 76 -15.546 4.538 -22.634 1.00 35.04 H new ATOM 0 HA ARG A 76 -17.205 6.156 -20.868 1.00 4.50 H new ATOM 0 HB2 ARG A 76 -16.370 3.308 -20.263 1.00 60.21 H new ATOM 0 HB3 ARG A 76 -16.681 4.473 -18.992 1.00 60.21 H new ATOM 0 HG2 ARG A 76 -19.001 4.802 -19.982 1.00 70.14 H new ATOM 0 HG3 ARG A 76 -18.662 3.466 -21.064 1.00 70.14 H new ATOM 0 HD2 ARG A 76 -18.314 1.951 -19.152 1.00 54.54 H new ATOM 0 HD3 ARG A 76 -18.509 3.279 -18.025 1.00 54.54 H new ATOM 0 HE ARG A 76 -20.747 2.516 -19.863 1.00 2.04 H new ATOM 0 HH11 ARG A 76 -19.454 2.989 -16.595 1.00 34.14 H new ATOM 0 HH12 ARG A 76 -21.031 2.796 -15.823 1.00 34.14 H new ATOM 0 HH21 ARG A 76 -22.756 2.265 -18.853 1.00 60.43 H new ATOM 0 HH22 ARG A 76 -22.889 2.388 -17.095 1.00 60.43 H new ATOM 1164 N GLY A 77 -15.071 6.656 -19.504 1.00 43.11 N ATOM 1165 CA GLY A 77 -13.821 7.145 -18.962 1.00 54.42 C ATOM 1166 C GLY A 77 -14.020 7.828 -17.628 1.00 15.24 C ATOM 1167 O GLY A 77 -14.631 8.900 -17.561 1.00 61.11 O ATOM 0 H GLY A 77 -15.904 7.012 -19.035 1.00 43.11 H new ATOM 0 HA2 GLY A 77 -13.125 6.314 -18.845 1.00 54.42 H new ATOM 0 HA3 GLY A 77 -13.368 7.844 -19.665 1.00 54.42 H new ATOM 1171 N PHE A 78 -13.520 7.209 -16.563 1.00 22.23 N ATOM 1172 CA PHE A 78 -13.685 7.733 -15.210 1.00 73.44 C ATOM 1173 C PHE A 78 -12.792 6.958 -14.236 1.00 12.01 C ATOM 1174 O PHE A 78 -12.317 5.865 -14.557 1.00 2.23 O ATOM 1175 CB PHE A 78 -15.162 7.642 -14.778 1.00 60.31 C ATOM 1176 CG PHE A 78 -15.480 8.382 -13.501 1.00 23.21 C ATOM 1177 CD1 PHE A 78 -15.426 9.769 -13.459 1.00 23.21 C ATOM 1178 CD2 PHE A 78 -15.831 7.696 -12.345 1.00 25.02 C ATOM 1179 CE1 PHE A 78 -15.716 10.454 -12.292 1.00 21.11 C ATOM 1180 CE2 PHE A 78 -16.121 8.378 -11.180 1.00 31.41 C ATOM 1181 CZ PHE A 78 -16.063 9.758 -11.152 1.00 42.13 C ATOM 0 H PHE A 78 -12.993 6.337 -16.611 1.00 22.23 H new ATOM 0 HA PHE A 78 -13.387 8.782 -15.198 1.00 73.44 H new ATOM 0 HB2 PHE A 78 -15.788 8.036 -15.579 1.00 60.31 H new ATOM 0 HB3 PHE A 78 -15.428 6.592 -14.652 1.00 60.31 H new ATOM 0 HD1 PHE A 78 -15.154 10.320 -14.348 1.00 23.21 H new ATOM 0 HD2 PHE A 78 -15.878 6.617 -12.358 1.00 25.02 H new ATOM 0 HE1 PHE A 78 -15.671 11.533 -12.273 1.00 21.11 H new ATOM 0 HE2 PHE A 78 -16.394 7.832 -10.289 1.00 31.41 H new ATOM 0 HZ PHE A 78 -16.289 10.291 -10.240 1.00 42.13 H new ATOM 1191 N ASP A 79 -12.575 7.524 -13.050 1.00 52.44 N ATOM 1192 CA ASP A 79 -11.715 6.916 -12.038 1.00 4.14 C ATOM 1193 C ASP A 79 -12.156 7.347 -10.645 1.00 34.43 C ATOM 1194 O ASP A 79 -12.041 8.520 -10.281 1.00 22.44 O ATOM 1195 CB ASP A 79 -10.247 7.304 -12.273 1.00 50.33 C ATOM 1196 CG ASP A 79 -9.331 6.870 -11.134 1.00 31.15 C ATOM 1197 OD1 ASP A 79 -9.122 5.650 -10.963 1.00 63.52 O ATOM 1198 OD2 ASP A 79 -8.803 7.749 -10.413 1.00 74.11 O ATOM 0 H ASP A 79 -12.988 8.412 -12.765 1.00 52.44 H new ATOM 0 HA ASP A 79 -11.803 5.832 -12.116 1.00 4.14 H new ATOM 0 HB2 ASP A 79 -9.901 6.853 -13.203 1.00 50.33 H new ATOM 0 HB3 ASP A 79 -10.177 8.385 -12.398 1.00 50.33 H new ATOM 1203 N GLN A 80 -12.689 6.400 -9.888 1.00 32.33 N ATOM 1204 CA GLN A 80 -13.087 6.640 -8.504 1.00 51.35 C ATOM 1205 C GLN A 80 -12.543 5.508 -7.626 1.00 60.12 C ATOM 1206 O GLN A 80 -11.414 5.647 -7.112 1.00 14.05 O ATOM 1207 CB GLN A 80 -14.623 6.742 -8.383 1.00 42.55 C ATOM 1208 CG GLN A 80 -15.103 7.758 -7.345 1.00 4.25 C ATOM 1209 CD GLN A 80 -14.495 7.552 -5.966 1.00 22.13 C ATOM 1210 OE1 GLN A 80 -13.447 8.121 -5.643 1.00 60.13 O ATOM 1211 NE2 GLN A 80 -15.144 6.746 -5.142 1.00 63.52 N ATOM 1212 OXT GLN A 80 -13.223 4.471 -7.486 1.00 0.00 O ATOM 0 H GLN A 80 -12.858 5.447 -10.211 1.00 32.33 H new ATOM 0 HA GLN A 80 -12.671 7.589 -8.168 1.00 51.35 H new ATOM 0 HB2 GLN A 80 -15.036 7.010 -9.355 1.00 42.55 H new ATOM 0 HB3 GLN A 80 -15.022 5.761 -8.126 1.00 42.55 H new ATOM 0 HG2 GLN A 80 -14.862 8.762 -7.693 1.00 4.25 H new ATOM 0 HG3 GLN A 80 -16.189 7.700 -7.267 1.00 4.25 H new ATOM 0 HE21 GLN A 80 -16.007 6.294 -5.445 1.00 63.52 H new ATOM 0 HE22 GLN A 80 -14.782 6.577 -4.204 1.00 63.52 H new TER 1221 GLN A 80