USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=13 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 Set 1.1: A 6 SER OG : rot 180:sc= -0.0462 USER MOD Set 1.2: A 8 ASN : amide:sc= 0 K(o=-0.046,f=-0.92) 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 -111:sc= -2.06! (180deg=-6.74!) USER MOD Single : A 14 ASN : amide:sc= -0.8 K(o=-0.8,f=-0.0011) USER MOD Single : A 16 SER OG : rot -157:sc= 0.605 USER MOD Single : A 22 ASN : amide:sc= 0.35 K(o=0.35,f=-0.35) USER MOD Single : A 26 GLN : amide:sc= -1.37 K(o=-1.4,f=-5.9!) USER MOD Single : A 27 HIS : no HD1:sc= -0.404 X(o=-0.4,f=-0.66) USER MOD Single : A 28 SER OG : rot 180:sc=-0.000556 USER MOD Single : A 44 HIS : no HE2:sc= -0.839! C(o=-0.84!,f=-4.3!) USER MOD Single : A 52 CYS SG : rot 180:sc= -1.29 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HE2:sc= -0.0259 K(o=-0.026,f=-2.8!) USER MOD Single : A 66 LYS NZ :NH3+ -161:sc= 1.28 (180deg=1) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0192) USER MOD Single : A 74 THR OG1 : rot 43:sc= 0.623 USER MOD Single : A 80 GLN : amide:sc= -0.859 K(o=-0.86,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.683 28.024 -15.124 1.00 64.54 N ATOM 2 CA GLY A 1 -16.928 28.769 -15.409 1.00 63.31 C ATOM 3 C GLY A 1 -17.589 28.298 -16.691 1.00 45.41 C ATOM 4 O GLY A 1 -18.489 27.458 -16.650 1.00 52.30 O ATOM 0 H1 GLY A 1 -15.262 28.376 -14.240 1.00 64.54 H new ATOM 0 H2 GLY A 1 -15.899 27.011 -15.025 1.00 64.54 H new ATOM 0 H3 GLY A 1 -15.010 28.160 -15.906 1.00 64.54 H new ATOM 0 HA2 GLY A 1 -17.622 28.648 -14.577 1.00 63.31 H new ATOM 0 HA3 GLY A 1 -16.705 29.833 -15.486 1.00 63.31 H new ATOM 10 N PRO A 2 -17.146 28.812 -17.854 1.00 71.21 N ATOM 11 CA PRO A 2 -17.732 28.470 -19.154 1.00 1.44 C ATOM 12 C PRO A 2 -17.259 27.109 -19.667 1.00 72.44 C ATOM 13 O PRO A 2 -16.272 26.558 -19.173 1.00 54.42 O ATOM 14 CB PRO A 2 -17.240 29.599 -20.088 1.00 51.43 C ATOM 15 CG PRO A 2 -16.451 30.543 -19.229 1.00 23.45 C ATOM 16 CD PRO A 2 -16.041 29.767 -18.009 1.00 11.23 C ATOM 0 HA PRO A 2 -18.818 28.392 -19.098 1.00 1.44 H new ATOM 0 HB2 PRO A 2 -16.623 29.197 -20.892 1.00 51.43 H new ATOM 0 HB3 PRO A 2 -18.081 30.110 -20.556 1.00 51.43 H new ATOM 0 HG2 PRO A 2 -15.577 30.916 -19.763 1.00 23.45 H new ATOM 0 HG3 PRO A 2 -17.051 31.411 -18.954 1.00 23.45 H new ATOM 0 HD2 PRO A 2 -15.085 29.262 -18.151 1.00 11.23 H new ATOM 0 HD3 PRO A 2 -15.935 30.410 -17.135 1.00 11.23 H new ATOM 24 N GLY A 3 -17.976 26.573 -20.651 1.00 40.44 N ATOM 25 CA GLY A 3 -17.576 25.334 -21.294 1.00 52.53 C ATOM 26 C GLY A 3 -16.504 25.574 -22.340 1.00 44.43 C ATOM 27 O GLY A 3 -16.813 25.877 -23.495 1.00 41.21 O ATOM 0 H GLY A 3 -18.836 26.981 -21.017 1.00 40.44 H new ATOM 0 HA2 GLY A 3 -17.204 24.636 -20.543 1.00 52.53 H new ATOM 0 HA3 GLY A 3 -18.444 24.868 -21.761 1.00 52.53 H new ATOM 31 N SER A 4 -15.248 25.468 -21.920 1.00 41.10 N ATOM 32 CA SER A 4 -14.101 25.741 -22.783 1.00 64.44 C ATOM 33 C SER A 4 -14.164 24.968 -24.107 1.00 54.20 C ATOM 34 O SER A 4 -14.235 23.737 -24.127 1.00 10.33 O ATOM 35 CB SER A 4 -12.804 25.395 -22.043 1.00 64.41 C ATOM 36 OG SER A 4 -12.703 26.123 -20.831 1.00 10.53 O ATOM 0 H SER A 4 -14.995 25.190 -20.972 1.00 41.10 H new ATOM 0 HA SER A 4 -14.124 26.803 -23.027 1.00 64.44 H new ATOM 0 HB2 SER A 4 -12.775 24.326 -21.833 1.00 64.41 H new ATOM 0 HB3 SER A 4 -11.947 25.619 -22.679 1.00 64.41 H new ATOM 0 HG SER A 4 -11.869 25.885 -20.375 1.00 10.53 H new ATOM 42 N MET A 5 -14.143 25.710 -25.210 1.00 31.34 N ATOM 43 CA MET A 5 -14.016 25.127 -26.541 1.00 4.33 C ATOM 44 C MET A 5 -12.612 24.565 -26.721 1.00 34.52 C ATOM 45 O MET A 5 -12.416 23.521 -27.348 1.00 40.22 O ATOM 46 CB MET A 5 -14.275 26.186 -27.613 1.00 72.43 C ATOM 47 CG MET A 5 -15.727 26.625 -27.719 1.00 13.45 C ATOM 48 SD MET A 5 -16.098 27.241 -29.366 1.00 24.43 S ATOM 49 CE MET A 5 -15.595 25.815 -30.327 1.00 72.00 C ATOM 0 H MET A 5 -14.213 26.728 -25.207 1.00 31.34 H new ATOM 0 HA MET A 5 -14.751 24.328 -26.644 1.00 4.33 H new ATOM 0 HB2 MET A 5 -13.658 27.059 -27.401 1.00 72.43 H new ATOM 0 HB3 MET A 5 -13.954 25.795 -28.579 1.00 72.43 H new ATOM 0 HG2 MET A 5 -16.382 25.786 -27.485 1.00 13.45 H new ATOM 0 HG3 MET A 5 -15.930 27.402 -26.982 1.00 13.45 H new ATOM 0 HE1 MET A 5 -14.699 26.059 -30.898 1.00 72.00 H new ATOM 0 HE2 MET A 5 -15.383 24.981 -29.657 1.00 72.00 H new ATOM 0 HE3 MET A 5 -16.396 25.536 -31.011 1.00 72.00 H new ATOM 59 N SER A 6 -11.656 25.277 -26.134 1.00 74.20 N ATOM 60 CA SER A 6 -10.234 24.995 -26.279 1.00 0.11 C ATOM 61 C SER A 6 -9.867 23.557 -25.900 1.00 25.10 C ATOM 62 O SER A 6 -10.607 22.859 -25.189 1.00 15.20 O ATOM 63 CB SER A 6 -9.435 25.981 -25.415 1.00 43.50 C ATOM 64 OG SER A 6 -9.910 25.990 -24.076 1.00 53.04 O ATOM 0 H SER A 6 -11.851 26.079 -25.535 1.00 74.20 H new ATOM 0 HA SER A 6 -9.984 25.114 -27.333 1.00 0.11 H new ATOM 0 HB2 SER A 6 -8.380 25.708 -25.428 1.00 43.50 H new ATOM 0 HB3 SER A 6 -9.510 26.983 -25.837 1.00 43.50 H new ATOM 0 HG SER A 6 -9.383 26.625 -23.546 1.00 53.04 H new ATOM 70 N ILE A 7 -8.720 23.121 -26.409 1.00 31.23 N ATOM 71 CA ILE A 7 -8.118 21.853 -26.034 1.00 15.14 C ATOM 72 C ILE A 7 -6.940 22.127 -25.100 1.00 55.21 C ATOM 73 O ILE A 7 -5.898 22.624 -25.534 1.00 65.33 O ATOM 74 CB ILE A 7 -7.626 21.068 -27.278 1.00 4.15 C ATOM 75 CG1 ILE A 7 -8.780 20.852 -28.279 1.00 23.20 C ATOM 76 CG2 ILE A 7 -7.012 19.727 -26.863 1.00 34.01 C ATOM 77 CD1 ILE A 7 -8.361 20.157 -29.562 1.00 34.15 C ATOM 0 H ILE A 7 -8.180 23.644 -27.099 1.00 31.23 H new ATOM 0 HA ILE A 7 -8.870 21.244 -25.533 1.00 15.14 H new ATOM 0 HB ILE A 7 -6.854 21.659 -27.771 1.00 4.15 H new ATOM 0 HG12 ILE A 7 -9.560 20.263 -27.797 1.00 23.20 H new ATOM 0 HG13 ILE A 7 -9.218 21.819 -28.528 1.00 23.20 H new ATOM 0 HG21 ILE A 7 -6.673 19.192 -27.750 1.00 34.01 H new ATOM 0 HG22 ILE A 7 -6.165 19.904 -26.200 1.00 34.01 H new ATOM 0 HG23 ILE A 7 -7.761 19.130 -26.343 1.00 34.01 H new ATOM 0 HD11 ILE A 7 -9.228 20.042 -30.213 1.00 34.15 H new ATOM 0 HD12 ILE A 7 -7.603 20.754 -30.069 1.00 34.15 H new ATOM 0 HD13 ILE A 7 -7.951 19.175 -29.327 1.00 34.15 H new ATOM 89 N ASN A 8 -7.132 21.854 -23.817 1.00 54.12 N ATOM 90 CA ASN A 8 -6.110 22.128 -22.806 1.00 25.44 C ATOM 91 C ASN A 8 -5.013 21.051 -22.789 1.00 50.11 C ATOM 92 O ASN A 8 -3.836 21.380 -22.626 1.00 64.43 O ATOM 93 CB ASN A 8 -6.750 22.284 -21.415 1.00 20.10 C ATOM 94 CG ASN A 8 -7.726 23.453 -21.349 1.00 43.15 C ATOM 95 OD1 ASN A 8 -7.617 24.414 -22.112 1.00 32.04 O ATOM 96 ND2 ASN A 8 -8.675 23.392 -20.425 1.00 53.11 N ATOM 0 H ASN A 8 -7.988 21.441 -23.447 1.00 54.12 H new ATOM 0 HA ASN A 8 -5.630 23.069 -23.074 1.00 25.44 H new ATOM 0 HB2 ASN A 8 -7.272 21.364 -21.154 1.00 20.10 H new ATOM 0 HB3 ASN A 8 -5.966 22.427 -20.672 1.00 20.10 H new ATOM 0 HD21 ASN A 8 -9.344 24.156 -20.330 1.00 53.11 H new ATOM 0 HD22 ASN A 8 -8.736 22.581 -19.810 1.00 53.11 H new ATOM 103 N PRO A 9 -5.358 19.746 -22.931 1.00 24.42 N ATOM 104 CA PRO A 9 -4.344 18.687 -23.029 1.00 34.30 C ATOM 105 C PRO A 9 -3.574 18.737 -24.354 1.00 64.14 C ATOM 106 O PRO A 9 -4.121 18.432 -25.415 1.00 71.44 O ATOM 107 CB PRO A 9 -5.163 17.392 -22.921 1.00 41.24 C ATOM 108 CG PRO A 9 -6.526 17.762 -23.392 1.00 53.41 C ATOM 109 CD PRO A 9 -6.731 19.190 -22.962 1.00 62.43 C ATOM 0 HA PRO A 9 -3.579 18.782 -22.258 1.00 34.30 H new ATOM 0 HB2 PRO A 9 -4.734 16.600 -23.535 1.00 41.24 H new ATOM 0 HB3 PRO A 9 -5.186 17.023 -21.896 1.00 41.24 H new ATOM 0 HG2 PRO A 9 -6.606 17.664 -24.475 1.00 53.41 H new ATOM 0 HG3 PRO A 9 -7.282 17.109 -22.956 1.00 53.41 H new ATOM 0 HD2 PRO A 9 -7.367 19.732 -23.662 1.00 62.43 H new ATOM 0 HD3 PRO A 9 -7.210 19.249 -21.985 1.00 62.43 H new ATOM 117 N PHE A 10 -2.306 19.141 -24.286 1.00 40.41 N ATOM 118 CA PHE A 10 -1.447 19.198 -25.467 1.00 31.52 C ATOM 119 C PHE A 10 -0.810 17.827 -25.711 1.00 72.32 C ATOM 120 O PHE A 10 -1.299 17.037 -26.522 1.00 51.11 O ATOM 121 CB PHE A 10 -0.373 20.291 -25.285 1.00 3.43 C ATOM 122 CG PHE A 10 0.550 20.473 -26.468 1.00 33.53 C ATOM 123 CD1 PHE A 10 0.131 21.172 -27.591 1.00 15.31 C ATOM 124 CD2 PHE A 10 1.842 19.954 -26.450 1.00 51.51 C ATOM 125 CE1 PHE A 10 0.979 21.350 -28.670 1.00 50.24 C ATOM 126 CE2 PHE A 10 2.689 20.129 -27.526 1.00 54.40 C ATOM 127 CZ PHE A 10 2.258 20.826 -28.638 1.00 35.42 C ATOM 0 H PHE A 10 -1.850 19.434 -23.422 1.00 40.41 H new ATOM 0 HA PHE A 10 -2.045 19.456 -26.341 1.00 31.52 H new ATOM 0 HB2 PHE A 10 -0.870 21.239 -25.080 1.00 3.43 H new ATOM 0 HB3 PHE A 10 0.227 20.049 -24.407 1.00 3.43 H new ATOM 0 HD1 PHE A 10 -0.868 21.582 -27.623 1.00 15.31 H new ATOM 0 HD2 PHE A 10 2.186 19.408 -25.584 1.00 51.51 H new ATOM 0 HE1 PHE A 10 0.642 21.898 -29.537 1.00 50.24 H new ATOM 0 HE2 PHE A 10 3.689 19.721 -27.498 1.00 54.40 H new ATOM 0 HZ PHE A 10 2.919 20.961 -29.481 1.00 35.42 H new ATOM 137 N ASP A 11 0.271 17.538 -24.992 1.00 1.54 N ATOM 138 CA ASP A 11 0.905 16.217 -25.029 1.00 3.31 C ATOM 139 C ASP A 11 0.554 15.500 -23.731 1.00 75.40 C ATOM 140 O ASP A 11 1.422 15.104 -22.952 1.00 13.31 O ATOM 141 CB ASP A 11 2.433 16.350 -25.205 1.00 60.33 C ATOM 142 CG ASP A 11 3.129 15.015 -25.459 1.00 70.42 C ATOM 143 OD1 ASP A 11 2.973 14.459 -26.570 1.00 15.20 O ATOM 144 OD2 ASP A 11 3.854 14.528 -24.563 1.00 63.02 O ATOM 0 H ASP A 11 0.731 18.204 -24.372 1.00 1.54 H new ATOM 0 HA ASP A 11 0.541 15.641 -25.880 1.00 3.31 H new ATOM 0 HB2 ASP A 11 2.639 17.023 -26.037 1.00 60.33 H new ATOM 0 HB3 ASP A 11 2.856 16.809 -24.311 1.00 60.33 H new ATOM 149 N ASP A 12 -0.750 15.365 -23.503 1.00 41.24 N ATOM 150 CA ASP A 12 -1.272 14.916 -22.214 1.00 42.44 C ATOM 151 C ASP A 12 -2.360 13.846 -22.405 1.00 73.54 C ATOM 152 O ASP A 12 -2.058 12.728 -22.825 1.00 63.12 O ATOM 153 CB ASP A 12 -1.797 16.146 -21.447 1.00 5.22 C ATOM 154 CG ASP A 12 -2.277 15.846 -20.032 1.00 31.25 C ATOM 155 OD1 ASP A 12 -1.434 15.805 -19.115 1.00 14.35 O ATOM 156 OD2 ASP A 12 -3.502 15.700 -19.836 1.00 43.52 O ATOM 0 H ASP A 12 -1.469 15.562 -24.199 1.00 41.24 H new ATOM 0 HA ASP A 12 -0.480 14.447 -21.631 1.00 42.44 H new ATOM 0 HB2 ASP A 12 -1.006 16.894 -21.399 1.00 5.22 H new ATOM 0 HB3 ASP A 12 -2.619 16.587 -22.011 1.00 5.22 H new ATOM 161 N ASP A 13 -3.617 14.208 -22.139 1.00 11.11 N ATOM 162 CA ASP A 13 -4.757 13.284 -22.222 1.00 23.12 C ATOM 163 C ASP A 13 -4.847 12.594 -23.583 1.00 30.54 C ATOM 164 O ASP A 13 -5.269 11.445 -23.685 1.00 12.41 O ATOM 165 CB ASP A 13 -6.055 14.058 -21.939 1.00 74.53 C ATOM 166 CG ASP A 13 -7.317 13.231 -22.154 1.00 12.31 C ATOM 167 OD1 ASP A 13 -7.606 12.353 -21.314 1.00 60.13 O ATOM 168 OD2 ASP A 13 -8.036 13.480 -23.153 1.00 73.14 O ATOM 0 H ASP A 13 -3.877 15.154 -21.859 1.00 11.11 H new ATOM 0 HA ASP A 13 -4.611 12.503 -21.476 1.00 23.12 H new ATOM 0 HB2 ASP A 13 -6.037 14.417 -20.910 1.00 74.53 H new ATOM 0 HB3 ASP A 13 -6.092 14.937 -22.583 1.00 74.53 H new ATOM 173 N ASN A 14 -4.420 13.296 -24.621 1.00 10.01 N ATOM 174 CA ASN A 14 -4.566 12.816 -25.995 1.00 44.32 C ATOM 175 C ASN A 14 -3.322 12.056 -26.464 1.00 62.12 C ATOM 176 O ASN A 14 -3.153 11.814 -27.660 1.00 31.00 O ATOM 177 CB ASN A 14 -4.859 14.000 -26.932 1.00 31.51 C ATOM 178 CG ASN A 14 -6.044 14.846 -26.474 1.00 23.43 C ATOM 179 OD1 ASN A 14 -6.119 16.036 -26.776 1.00 1.41 O ATOM 180 ND2 ASN A 14 -6.968 14.247 -25.732 1.00 73.33 N ATOM 0 H ASN A 14 -3.966 14.206 -24.542 1.00 10.01 H new ATOM 0 HA ASN A 14 -5.403 12.118 -26.023 1.00 44.32 H new ATOM 0 HB2 ASN A 14 -3.973 14.632 -26.998 1.00 31.51 H new ATOM 0 HB3 ASN A 14 -5.056 13.622 -27.935 1.00 31.51 H new ATOM 0 HD21 ASN A 14 -7.772 14.776 -25.394 1.00 73.33 H new ATOM 0 HD22 ASN A 14 -6.874 13.258 -25.501 1.00 73.33 H new ATOM 187 N GLY A 15 -2.462 11.673 -25.522 1.00 55.21 N ATOM 188 CA GLY A 15 -1.254 10.927 -25.862 1.00 55.10 C ATOM 189 C GLY A 15 -1.461 9.426 -25.765 1.00 5.11 C ATOM 190 O GLY A 15 -2.578 8.968 -25.520 1.00 2.02 O ATOM 0 H GLY A 15 -2.578 11.865 -24.527 1.00 55.21 H new ATOM 0 HA2 GLY A 15 -0.943 11.185 -26.874 1.00 55.10 H new ATOM 0 HA3 GLY A 15 -0.445 11.224 -25.195 1.00 55.10 H new ATOM 194 N SER A 16 -0.392 8.658 -25.979 1.00 4.14 N ATOM 195 CA SER A 16 -0.443 7.200 -25.862 1.00 63.44 C ATOM 196 C SER A 16 -0.801 6.791 -24.436 1.00 71.32 C ATOM 197 O SER A 16 -0.612 7.578 -23.505 1.00 2.12 O ATOM 198 CB SER A 16 0.905 6.596 -26.253 1.00 1.03 C ATOM 199 OG SER A 16 1.256 6.938 -27.584 1.00 70.32 O ATOM 0 H SER A 16 0.525 9.024 -26.236 1.00 4.14 H new ATOM 0 HA SER A 16 -1.212 6.825 -26.537 1.00 63.44 H new ATOM 0 HB2 SER A 16 1.676 6.949 -25.569 1.00 1.03 H new ATOM 0 HB3 SER A 16 0.863 5.511 -26.153 1.00 1.03 H new ATOM 0 HG SER A 16 1.888 6.277 -27.936 1.00 70.32 H new ATOM 205 N PHE A 17 -1.324 5.574 -24.245 1.00 33.31 N ATOM 206 CA PHE A 17 -1.541 5.106 -22.889 1.00 3.42 C ATOM 207 C PHE A 17 -0.198 4.875 -22.210 1.00 71.15 C ATOM 208 O PHE A 17 0.486 3.880 -22.445 1.00 4.05 O ATOM 209 CB PHE A 17 -2.379 3.811 -22.868 1.00 25.25 C ATOM 210 CG PHE A 17 -2.910 3.448 -21.498 1.00 23.11 C ATOM 211 CD1 PHE A 17 -2.099 2.832 -20.560 1.00 3.25 C ATOM 212 CD2 PHE A 17 -4.225 3.725 -21.156 1.00 74.21 C ATOM 213 CE1 PHE A 17 -2.586 2.500 -19.311 1.00 25.21 C ATOM 214 CE2 PHE A 17 -4.719 3.397 -19.909 1.00 70.22 C ATOM 215 CZ PHE A 17 -3.898 2.783 -18.985 1.00 45.40 C ATOM 0 H PHE A 17 -1.592 4.925 -24.985 1.00 33.31 H new ATOM 0 HA PHE A 17 -2.099 5.869 -22.347 1.00 3.42 H new ATOM 0 HB2 PHE A 17 -3.218 3.921 -23.555 1.00 25.25 H new ATOM 0 HB3 PHE A 17 -1.768 2.988 -23.240 1.00 25.25 H new ATOM 0 HD1 PHE A 17 -1.072 2.608 -20.808 1.00 3.25 H new ATOM 0 HD2 PHE A 17 -4.872 4.204 -21.876 1.00 74.21 H new ATOM 0 HE1 PHE A 17 -1.941 2.019 -18.590 1.00 25.21 H new ATOM 0 HE2 PHE A 17 -5.745 3.620 -19.657 1.00 70.22 H new ATOM 0 HZ PHE A 17 -4.281 2.524 -18.009 1.00 45.40 H new ATOM 225 N PHE A 18 0.153 5.829 -21.371 1.00 10.51 N ATOM 226 CA PHE A 18 1.270 5.718 -20.459 1.00 50.04 C ATOM 227 C PHE A 18 0.938 6.562 -19.248 1.00 10.14 C ATOM 228 O PHE A 18 0.502 7.708 -19.383 1.00 64.22 O ATOM 229 CB PHE A 18 2.596 6.161 -21.113 1.00 0.03 C ATOM 230 CG PHE A 18 2.638 7.600 -21.578 1.00 53.34 C ATOM 231 CD1 PHE A 18 2.242 7.945 -22.861 1.00 61.11 C ATOM 232 CD2 PHE A 18 3.083 8.605 -20.731 1.00 52.42 C ATOM 233 CE1 PHE A 18 2.283 9.260 -23.289 1.00 74.44 C ATOM 234 CE2 PHE A 18 3.126 9.919 -21.153 1.00 42.02 C ATOM 235 CZ PHE A 18 2.726 10.248 -22.433 1.00 11.54 C ATOM 0 H PHE A 18 -0.341 6.719 -21.304 1.00 10.51 H new ATOM 0 HA PHE A 18 1.420 4.677 -20.172 1.00 50.04 H new ATOM 0 HB2 PHE A 18 3.405 6.003 -20.399 1.00 0.03 H new ATOM 0 HB3 PHE A 18 2.794 5.514 -21.968 1.00 0.03 H new ATOM 0 HD1 PHE A 18 1.896 7.176 -23.536 1.00 61.11 H new ATOM 0 HD2 PHE A 18 3.400 8.356 -19.729 1.00 52.42 H new ATOM 0 HE1 PHE A 18 1.969 9.513 -24.291 1.00 74.44 H new ATOM 0 HE2 PHE A 18 3.473 10.690 -20.481 1.00 42.02 H new ATOM 0 HZ PHE A 18 2.760 11.276 -22.763 1.00 11.54 H new ATOM 245 N VAL A 19 1.109 6.001 -18.068 1.00 64.01 N ATOM 246 CA VAL A 19 0.614 6.642 -16.858 1.00 61.04 C ATOM 247 C VAL A 19 1.587 6.420 -15.708 1.00 43.40 C ATOM 248 O VAL A 19 2.040 5.297 -15.475 1.00 52.44 O ATOM 249 CB VAL A 19 -0.798 6.109 -16.468 1.00 53.32 C ATOM 250 CG1 VAL A 19 -1.334 6.835 -15.233 1.00 65.33 C ATOM 251 CG2 VAL A 19 -1.787 6.231 -17.639 1.00 2.33 C ATOM 0 H VAL A 19 1.582 5.110 -17.917 1.00 64.01 H new ATOM 0 HA VAL A 19 0.530 7.710 -17.059 1.00 61.04 H new ATOM 0 HB VAL A 19 -0.694 5.051 -16.227 1.00 53.32 H new ATOM 0 HG11 VAL A 19 -2.320 6.445 -14.981 1.00 65.33 H new ATOM 0 HG12 VAL A 19 -0.656 6.676 -14.395 1.00 65.33 H new ATOM 0 HG13 VAL A 19 -1.408 7.902 -15.442 1.00 65.33 H new ATOM 0 HG21 VAL A 19 -2.762 5.851 -17.333 1.00 2.33 H new ATOM 0 HG22 VAL A 19 -1.881 7.278 -17.929 1.00 2.33 H new ATOM 0 HG23 VAL A 19 -1.421 5.651 -18.486 1.00 2.33 H new ATOM 261 N LEU A 20 1.912 7.498 -15.008 1.00 71.33 N ATOM 262 CA LEU A 20 2.865 7.464 -13.906 1.00 52.24 C ATOM 263 C LEU A 20 2.177 7.944 -12.630 1.00 2.41 C ATOM 264 O LEU A 20 1.622 9.044 -12.593 1.00 61.32 O ATOM 265 CB LEU A 20 4.086 8.349 -14.252 1.00 34.34 C ATOM 266 CG LEU A 20 5.294 8.295 -13.287 1.00 23.03 C ATOM 267 CD1 LEU A 20 5.038 9.095 -12.011 1.00 45.00 C ATOM 268 CD2 LEU A 20 5.656 6.852 -12.951 1.00 31.20 C ATOM 0 H LEU A 20 1.522 8.423 -15.188 1.00 71.33 H new ATOM 0 HA LEU A 20 3.218 6.445 -13.745 1.00 52.24 H new ATOM 0 HB2 LEU A 20 4.435 8.070 -15.246 1.00 34.34 H new ATOM 0 HB3 LEU A 20 3.747 9.383 -14.312 1.00 34.34 H new ATOM 0 HG LEU A 20 6.139 8.755 -13.800 1.00 23.03 H new ATOM 0 HD11 LEU A 20 5.910 9.031 -11.360 1.00 45.00 H new ATOM 0 HD12 LEU A 20 4.851 10.138 -12.267 1.00 45.00 H new ATOM 0 HD13 LEU A 20 4.169 8.687 -11.494 1.00 45.00 H new ATOM 0 HD21 LEU A 20 6.508 6.839 -12.271 1.00 31.20 H new ATOM 0 HD22 LEU A 20 4.805 6.365 -12.475 1.00 31.20 H new ATOM 0 HD23 LEU A 20 5.914 6.319 -13.866 1.00 31.20 H new ATOM 280 N VAL A 21 2.197 7.114 -11.594 1.00 52.14 N ATOM 281 CA VAL A 21 1.663 7.503 -10.298 1.00 71.23 C ATOM 282 C VAL A 21 2.798 7.622 -9.287 1.00 12.22 C ATOM 283 O VAL A 21 3.603 6.701 -9.110 1.00 72.33 O ATOM 284 CB VAL A 21 0.576 6.513 -9.787 1.00 12.52 C ATOM 285 CG1 VAL A 21 -0.654 6.552 -10.692 1.00 73.44 C ATOM 286 CG2 VAL A 21 1.123 5.089 -9.689 1.00 14.24 C ATOM 0 H VAL A 21 2.577 6.168 -11.628 1.00 52.14 H new ATOM 0 HA VAL A 21 1.178 8.472 -10.416 1.00 71.23 H new ATOM 0 HB VAL A 21 0.283 6.829 -8.786 1.00 12.52 H new ATOM 0 HG11 VAL A 21 -1.403 5.853 -10.319 1.00 73.44 H new ATOM 0 HG12 VAL A 21 -1.069 7.560 -10.698 1.00 73.44 H new ATOM 0 HG13 VAL A 21 -0.369 6.271 -11.706 1.00 73.44 H new ATOM 0 HG21 VAL A 21 0.339 4.422 -9.329 1.00 14.24 H new ATOM 0 HG22 VAL A 21 1.457 4.759 -10.673 1.00 14.24 H new ATOM 0 HG23 VAL A 21 1.963 5.069 -8.995 1.00 14.24 H new ATOM 296 N ASN A 22 2.873 8.775 -8.646 1.00 5.53 N ATOM 297 CA ASN A 22 3.896 9.043 -7.651 1.00 74.14 C ATOM 298 C ASN A 22 3.452 8.490 -6.305 1.00 13.30 C ATOM 299 O ASN A 22 2.261 8.495 -5.993 1.00 42.42 O ATOM 300 CB ASN A 22 4.154 10.552 -7.547 1.00 33.32 C ATOM 301 CG ASN A 22 4.602 11.170 -8.863 1.00 72.42 C ATOM 302 OD1 ASN A 22 3.780 11.570 -9.687 1.00 41.10 O ATOM 303 ND2 ASN A 22 5.907 11.266 -9.067 1.00 14.32 N ATOM 0 H ASN A 22 2.228 9.550 -8.800 1.00 5.53 H new ATOM 0 HA ASN A 22 4.824 8.555 -7.950 1.00 74.14 H new ATOM 0 HB2 ASN A 22 3.244 11.048 -7.210 1.00 33.32 H new ATOM 0 HB3 ASN A 22 4.916 10.733 -6.789 1.00 33.32 H new ATOM 0 HD21 ASN A 22 6.259 11.682 -9.929 1.00 14.32 H new ATOM 0 HD22 ASN A 22 6.560 10.924 -8.362 1.00 14.32 H new ATOM 310 N ASP A 23 4.410 8.025 -5.508 1.00 70.14 N ATOM 311 CA ASP A 23 4.117 7.427 -4.203 1.00 12.10 C ATOM 312 C ASP A 23 3.328 8.392 -3.317 1.00 71.41 C ATOM 313 O ASP A 23 2.616 7.976 -2.402 1.00 71.12 O ATOM 314 CB ASP A 23 5.418 7.016 -3.502 1.00 34.54 C ATOM 315 CG ASP A 23 5.170 6.343 -2.160 1.00 42.35 C ATOM 316 OD1 ASP A 23 4.904 5.123 -2.143 1.00 1.54 O ATOM 317 OD2 ASP A 23 5.244 7.025 -1.118 1.00 24.14 O ATOM 0 H ASP A 23 5.402 8.050 -5.742 1.00 70.14 H new ATOM 0 HA ASP A 23 3.505 6.541 -4.370 1.00 12.10 H new ATOM 0 HB2 ASP A 23 5.976 6.337 -4.147 1.00 34.54 H new ATOM 0 HB3 ASP A 23 6.041 7.898 -3.353 1.00 34.54 H new ATOM 322 N GLU A 24 3.448 9.683 -3.609 1.00 62.34 N ATOM 323 CA GLU A 24 2.750 10.722 -2.856 1.00 11.53 C ATOM 324 C GLU A 24 1.344 10.967 -3.432 1.00 61.53 C ATOM 325 O GLU A 24 0.767 12.040 -3.254 1.00 72.22 O ATOM 326 CB GLU A 24 3.588 12.008 -2.875 1.00 73.32 C ATOM 327 CG GLU A 24 5.021 11.802 -2.379 1.00 13.22 C ATOM 328 CD GLU A 24 5.875 13.060 -2.456 1.00 2.14 C ATOM 329 OE1 GLU A 24 5.656 13.882 -3.369 1.00 51.24 O ATOM 330 OE2 GLU A 24 6.788 13.219 -1.619 1.00 11.22 O ATOM 0 H GLU A 24 4.028 10.038 -4.369 1.00 62.34 H new ATOM 0 HA GLU A 24 2.624 10.395 -1.824 1.00 11.53 H new ATOM 0 HB2 GLU A 24 3.615 12.401 -3.891 1.00 73.32 H new ATOM 0 HB3 GLU A 24 3.101 12.761 -2.255 1.00 73.32 H new ATOM 0 HG2 GLU A 24 4.994 11.453 -1.347 1.00 13.22 H new ATOM 0 HG3 GLU A 24 5.492 11.016 -2.969 1.00 13.22 H new ATOM 337 N GLU A 25 0.816 9.950 -4.129 1.00 62.13 N ATOM 338 CA GLU A 25 -0.550 9.955 -4.673 1.00 0.22 C ATOM 339 C GLU A 25 -0.725 10.975 -5.798 1.00 61.13 C ATOM 340 O GLU A 25 -1.848 11.372 -6.119 1.00 70.13 O ATOM 341 CB GLU A 25 -1.597 10.193 -3.570 1.00 4.34 C ATOM 342 CG GLU A 25 -1.707 9.048 -2.572 1.00 45.50 C ATOM 343 CD GLU A 25 -2.891 9.200 -1.631 1.00 73.30 C ATOM 344 OE1 GLU A 25 -4.022 8.838 -2.025 1.00 62.44 O ATOM 345 OE2 GLU A 25 -2.702 9.682 -0.497 1.00 32.12 O ATOM 0 H GLU A 25 1.330 9.093 -4.333 1.00 62.13 H new ATOM 0 HA GLU A 25 -0.713 8.964 -5.097 1.00 0.22 H new ATOM 0 HB2 GLU A 25 -1.345 11.108 -3.033 1.00 4.34 H new ATOM 0 HB3 GLU A 25 -2.570 10.354 -4.034 1.00 4.34 H new ATOM 0 HG2 GLU A 25 -1.798 8.107 -3.114 1.00 45.50 H new ATOM 0 HG3 GLU A 25 -0.789 8.992 -1.987 1.00 45.50 H new ATOM 352 N GLN A 26 0.378 11.379 -6.415 1.00 10.22 N ATOM 353 CA GLN A 26 0.315 12.281 -7.561 1.00 54.01 C ATOM 354 C GLN A 26 0.048 11.486 -8.838 1.00 30.13 C ATOM 355 O GLN A 26 0.841 10.627 -9.219 1.00 21.03 O ATOM 356 CB GLN A 26 1.616 13.087 -7.703 1.00 31.13 C ATOM 357 CG GLN A 26 1.847 14.117 -6.601 1.00 12.34 C ATOM 358 CD GLN A 26 0.854 15.273 -6.636 1.00 24.51 C ATOM 359 OE1 GLN A 26 -0.308 15.114 -7.022 1.00 3.34 O ATOM 360 NE2 GLN A 26 1.309 16.450 -6.251 1.00 4.44 N ATOM 0 H GLN A 26 1.321 11.100 -6.145 1.00 10.22 H new ATOM 0 HA GLN A 26 -0.503 12.983 -7.397 1.00 54.01 H new ATOM 0 HB2 GLN A 26 2.458 12.394 -7.717 1.00 31.13 H new ATOM 0 HB3 GLN A 26 1.608 13.599 -8.665 1.00 31.13 H new ATOM 0 HG2 GLN A 26 1.783 13.622 -5.632 1.00 12.34 H new ATOM 0 HG3 GLN A 26 2.858 14.513 -6.690 1.00 12.34 H new ATOM 0 HE21 GLN A 26 2.275 16.546 -5.938 1.00 4.44 H new ATOM 0 HE22 GLN A 26 0.695 17.264 -6.267 1.00 4.44 H new ATOM 369 N HIS A 27 -1.080 11.766 -9.480 1.00 62.23 N ATOM 370 CA HIS A 27 -1.436 11.117 -10.742 1.00 32.31 C ATOM 371 C HIS A 27 -0.950 11.973 -11.905 1.00 32.43 C ATOM 372 O HIS A 27 -1.384 13.112 -12.067 1.00 70.43 O ATOM 373 CB HIS A 27 -2.958 10.882 -10.834 1.00 4.31 C ATOM 374 CG HIS A 27 -3.790 12.121 -10.653 1.00 71.13 C ATOM 375 ND1 HIS A 27 -4.232 12.900 -11.700 1.00 63.43 N ATOM 376 CD2 HIS A 27 -4.262 12.708 -9.529 1.00 74.11 C ATOM 377 CE1 HIS A 27 -4.934 13.914 -11.227 1.00 60.13 C ATOM 378 NE2 HIS A 27 -4.968 13.821 -9.911 1.00 72.25 N ATOM 0 H HIS A 27 -1.769 12.441 -9.148 1.00 62.23 H new ATOM 0 HA HIS A 27 -0.951 10.142 -10.787 1.00 32.31 H new ATOM 0 HB2 HIS A 27 -3.188 10.444 -11.805 1.00 4.31 H new ATOM 0 HB3 HIS A 27 -3.247 10.152 -10.078 1.00 4.31 H new ATOM 0 HD2 HIS A 27 -4.111 12.364 -8.517 1.00 74.11 H new ATOM 0 HE1 HIS A 27 -5.401 14.688 -11.817 1.00 60.13 H new ATOM 0 HE2 HIS A 27 -5.441 14.469 -9.282 1.00 72.25 H new ATOM 387 N SER A 28 -0.035 11.433 -12.699 1.00 43.31 N ATOM 388 CA SER A 28 0.586 12.193 -13.772 1.00 70.43 C ATOM 389 C SER A 28 1.045 11.266 -14.897 1.00 3.04 C ATOM 390 O SER A 28 0.744 10.070 -14.903 1.00 45.11 O ATOM 391 CB SER A 28 1.778 12.989 -13.209 1.00 24.32 C ATOM 392 OG SER A 28 2.337 13.865 -14.178 1.00 33.21 O ATOM 0 H SER A 28 0.293 10.470 -12.619 1.00 43.31 H new ATOM 0 HA SER A 28 -0.146 12.885 -14.187 1.00 70.43 H new ATOM 0 HB2 SER A 28 1.453 13.566 -12.343 1.00 24.32 H new ATOM 0 HB3 SER A 28 2.545 12.297 -12.861 1.00 24.32 H new ATOM 0 HG SER A 28 3.089 14.353 -13.783 1.00 33.21 H new ATOM 398 N LEU A 29 1.757 11.838 -15.859 1.00 3.41 N ATOM 399 CA LEU A 29 2.377 11.080 -16.934 1.00 62.52 C ATOM 400 C LEU A 29 3.865 11.409 -16.986 1.00 23.32 C ATOM 401 O LEU A 29 4.372 12.136 -16.127 1.00 31.35 O ATOM 402 CB LEU A 29 1.677 11.377 -18.277 1.00 32.03 C ATOM 403 CG LEU A 29 1.443 12.866 -18.618 1.00 23.25 C ATOM 404 CD1 LEU A 29 2.751 13.587 -18.959 1.00 5.44 C ATOM 405 CD2 LEU A 29 0.450 12.993 -19.768 1.00 25.14 C ATOM 0 H LEU A 29 1.920 12.843 -15.915 1.00 3.41 H new ATOM 0 HA LEU A 29 2.267 10.012 -16.744 1.00 62.52 H new ATOM 0 HB2 LEU A 29 2.270 10.933 -19.076 1.00 32.03 H new ATOM 0 HB3 LEU A 29 0.712 10.871 -18.278 1.00 32.03 H new ATOM 0 HG LEU A 29 1.028 13.346 -17.732 1.00 23.25 H new ATOM 0 HD11 LEU A 29 2.541 14.631 -19.192 1.00 5.44 H new ATOM 0 HD12 LEU A 29 3.428 13.535 -18.106 1.00 5.44 H new ATOM 0 HD13 LEU A 29 3.216 13.109 -19.821 1.00 5.44 H new ATOM 0 HD21 LEU A 29 0.293 14.047 -19.999 1.00 25.14 H new ATOM 0 HD22 LEU A 29 0.844 12.484 -20.647 1.00 25.14 H new ATOM 0 HD23 LEU A 29 -0.499 12.540 -19.481 1.00 25.14 H new ATOM 417 N TRP A 30 4.556 10.879 -17.983 1.00 23.42 N ATOM 418 CA TRP A 30 5.984 11.119 -18.140 1.00 41.14 C ATOM 419 C TRP A 30 6.346 11.185 -19.623 1.00 34.24 C ATOM 420 O TRP A 30 5.966 10.302 -20.393 1.00 3.43 O ATOM 421 CB TRP A 30 6.787 10.015 -17.429 1.00 13.11 C ATOM 422 CG TRP A 30 6.539 8.633 -17.967 1.00 12.31 C ATOM 423 CD1 TRP A 30 5.481 7.815 -17.688 1.00 71.00 C ATOM 424 CD2 TRP A 30 7.378 7.908 -18.873 1.00 3.12 C ATOM 425 NE1 TRP A 30 5.609 6.629 -18.370 1.00 33.35 N ATOM 426 CE2 TRP A 30 6.766 6.662 -19.104 1.00 25.44 C ATOM 427 CE3 TRP A 30 8.586 8.194 -19.515 1.00 53.21 C ATOM 428 CZ2 TRP A 30 7.324 5.708 -19.948 1.00 51.20 C ATOM 429 CZ3 TRP A 30 9.137 7.244 -20.352 1.00 55.34 C ATOM 430 CH2 TRP A 30 8.507 6.012 -20.561 1.00 73.31 C ATOM 0 H TRP A 30 4.150 10.277 -18.699 1.00 23.42 H new ATOM 0 HA TRP A 30 6.237 12.076 -17.683 1.00 41.14 H new ATOM 0 HB2 TRP A 30 7.850 10.241 -17.514 1.00 13.11 H new ATOM 0 HB3 TRP A 30 6.542 10.029 -16.367 1.00 13.11 H new ATOM 0 HD1 TRP A 30 4.663 8.064 -17.028 1.00 71.00 H new ATOM 0 HE1 TRP A 30 4.950 5.851 -18.336 1.00 33.35 H new ATOM 0 HE3 TRP A 30 9.080 9.142 -19.359 1.00 53.21 H new ATOM 0 HZ2 TRP A 30 6.838 4.758 -20.114 1.00 51.20 H new ATOM 0 HZ3 TRP A 30 10.070 7.455 -20.854 1.00 55.34 H new ATOM 0 HH2 TRP A 30 8.964 5.288 -21.219 1.00 73.31 H new ATOM 441 N PRO A 31 7.057 12.248 -20.054 1.00 52.54 N ATOM 442 CA PRO A 31 7.519 12.377 -21.443 1.00 35.33 C ATOM 443 C PRO A 31 8.328 11.154 -21.877 1.00 43.41 C ATOM 444 O PRO A 31 9.249 10.737 -21.176 1.00 35.31 O ATOM 445 CB PRO A 31 8.397 13.638 -21.417 1.00 30.22 C ATOM 446 CG PRO A 31 7.892 14.425 -20.255 1.00 33.12 C ATOM 447 CD PRO A 31 7.463 13.406 -19.232 1.00 24.30 C ATOM 0 HA PRO A 31 6.696 12.447 -22.154 1.00 35.33 H new ATOM 0 HB2 PRO A 31 9.450 13.385 -21.297 1.00 30.22 H new ATOM 0 HB3 PRO A 31 8.309 14.202 -22.346 1.00 30.22 H new ATOM 0 HG2 PRO A 31 8.669 15.078 -19.856 1.00 33.12 H new ATOM 0 HG3 PRO A 31 7.058 15.063 -20.546 1.00 33.12 H new ATOM 0 HD2 PRO A 31 8.276 13.151 -18.553 1.00 24.30 H new ATOM 0 HD3 PRO A 31 6.639 13.773 -18.620 1.00 24.30 H new ATOM 455 N ALA A 32 7.983 10.599 -23.035 1.00 64.13 N ATOM 456 CA ALA A 32 8.570 9.345 -23.520 1.00 5.22 C ATOM 457 C ALA A 32 10.106 9.353 -23.490 1.00 54.03 C ATOM 458 O ALA A 32 10.732 8.301 -23.337 1.00 51.42 O ATOM 459 CB ALA A 32 8.072 9.046 -24.929 1.00 31.45 C ATOM 0 H ALA A 32 7.290 11.002 -23.666 1.00 64.13 H new ATOM 0 HA ALA A 32 8.246 8.558 -22.839 1.00 5.22 H new ATOM 0 HB1 ALA A 32 8.513 8.113 -25.281 1.00 31.45 H new ATOM 0 HB2 ALA A 32 6.986 8.953 -24.919 1.00 31.45 H new ATOM 0 HB3 ALA A 32 8.360 9.858 -25.597 1.00 31.45 H new ATOM 465 N PHE A 33 10.706 10.531 -23.646 1.00 65.24 N ATOM 466 CA PHE A 33 12.167 10.654 -23.665 1.00 41.30 C ATOM 467 C PHE A 33 12.735 10.681 -22.244 1.00 64.43 C ATOM 468 O PHE A 33 13.871 10.258 -22.011 1.00 54.03 O ATOM 469 CB PHE A 33 12.577 11.929 -24.423 1.00 70.23 C ATOM 470 CG PHE A 33 14.068 12.173 -24.458 1.00 14.54 C ATOM 471 CD1 PHE A 33 14.906 11.331 -25.174 1.00 21.21 C ATOM 472 CD2 PHE A 33 14.630 13.246 -23.776 1.00 34.35 C ATOM 473 CE1 PHE A 33 16.269 11.554 -25.212 1.00 25.54 C ATOM 474 CE2 PHE A 33 15.994 13.471 -23.812 1.00 3.51 C ATOM 475 CZ PHE A 33 16.815 12.623 -24.531 1.00 72.43 C ATOM 0 H PHE A 33 10.207 11.413 -23.761 1.00 65.24 H new ATOM 0 HA PHE A 33 12.577 9.784 -24.177 1.00 41.30 H new ATOM 0 HB2 PHE A 33 12.206 11.866 -25.446 1.00 70.23 H new ATOM 0 HB3 PHE A 33 12.090 12.787 -23.959 1.00 70.23 H new ATOM 0 HD1 PHE A 33 14.488 10.491 -25.708 1.00 21.21 H new ATOM 0 HD2 PHE A 33 13.994 13.912 -23.211 1.00 34.35 H new ATOM 0 HE1 PHE A 33 16.908 10.891 -25.776 1.00 25.54 H new ATOM 0 HE2 PHE A 33 16.418 14.309 -23.278 1.00 3.51 H new ATOM 0 HZ PHE A 33 17.881 12.796 -24.560 1.00 72.43 H new ATOM 485 N ALA A 34 11.931 11.148 -21.300 1.00 11.31 N ATOM 486 CA ALA A 34 12.372 11.309 -19.921 1.00 4.15 C ATOM 487 C ALA A 34 12.458 9.960 -19.208 1.00 15.35 C ATOM 488 O ALA A 34 11.788 8.997 -19.588 1.00 1.33 O ATOM 489 CB ALA A 34 11.432 12.249 -19.175 1.00 42.14 C ATOM 0 H ALA A 34 10.963 11.424 -21.465 1.00 11.31 H new ATOM 0 HA ALA A 34 13.371 11.745 -19.932 1.00 4.15 H new ATOM 0 HB1 ALA A 34 11.772 12.362 -18.145 1.00 42.14 H new ATOM 0 HB2 ALA A 34 11.428 13.223 -19.664 1.00 42.14 H new ATOM 0 HB3 ALA A 34 10.424 11.835 -19.181 1.00 42.14 H new ATOM 495 N ASP A 35 13.296 9.896 -18.180 1.00 65.10 N ATOM 496 CA ASP A 35 13.443 8.688 -17.374 1.00 21.44 C ATOM 497 C ASP A 35 12.543 8.773 -16.146 1.00 35.34 C ATOM 498 O ASP A 35 12.397 9.843 -15.552 1.00 10.32 O ATOM 499 CB ASP A 35 14.908 8.502 -16.955 1.00 10.33 C ATOM 500 CG ASP A 35 15.110 7.347 -15.980 1.00 71.31 C ATOM 501 OD1 ASP A 35 14.971 6.175 -16.396 1.00 74.13 O ATOM 502 OD2 ASP A 35 15.404 7.609 -14.790 1.00 62.15 O ATOM 0 H ASP A 35 13.888 10.672 -17.883 1.00 65.10 H new ATOM 0 HA ASP A 35 13.145 7.825 -17.970 1.00 21.44 H new ATOM 0 HB2 ASP A 35 15.515 8.329 -17.844 1.00 10.33 H new ATOM 0 HB3 ASP A 35 15.268 9.423 -16.497 1.00 10.33 H new ATOM 507 N VAL A 36 11.912 7.658 -15.792 1.00 51.02 N ATOM 508 CA VAL A 36 11.049 7.602 -14.616 1.00 14.20 C ATOM 509 C VAL A 36 11.897 7.450 -13.351 1.00 74.22 C ATOM 510 O VAL A 36 12.522 6.404 -13.151 1.00 4.35 O ATOM 511 CB VAL A 36 10.047 6.420 -14.699 1.00 52.15 C ATOM 512 CG1 VAL A 36 9.156 6.369 -13.458 1.00 54.14 C ATOM 513 CG2 VAL A 36 9.208 6.509 -15.973 1.00 3.12 C ATOM 0 H VAL A 36 11.982 6.779 -16.304 1.00 51.02 H new ATOM 0 HA VAL A 36 10.484 8.533 -14.579 1.00 14.20 H new ATOM 0 HB VAL A 36 10.620 5.493 -14.736 1.00 52.15 H new ATOM 0 HG11 VAL A 36 8.463 5.532 -13.542 1.00 54.14 H new ATOM 0 HG12 VAL A 36 9.775 6.240 -12.570 1.00 54.14 H new ATOM 0 HG13 VAL A 36 8.593 7.299 -13.376 1.00 54.14 H new ATOM 0 HG21 VAL A 36 8.513 5.670 -16.010 1.00 3.12 H new ATOM 0 HG22 VAL A 36 8.649 7.445 -15.976 1.00 3.12 H new ATOM 0 HG23 VAL A 36 9.863 6.476 -16.843 1.00 3.12 H new ATOM 523 N PRO A 37 11.943 8.491 -12.492 1.00 42.20 N ATOM 524 CA PRO A 37 12.729 8.461 -11.251 1.00 21.34 C ATOM 525 C PRO A 37 12.330 7.295 -10.348 1.00 1.14 C ATOM 526 O PRO A 37 11.140 7.043 -10.126 1.00 71.23 O ATOM 527 CB PRO A 37 12.406 9.808 -10.581 1.00 33.33 C ATOM 528 CG PRO A 37 11.946 10.686 -11.697 1.00 74.14 C ATOM 529 CD PRO A 37 11.235 9.777 -12.660 1.00 3.15 C ATOM 0 HA PRO A 37 13.793 8.321 -11.443 1.00 21.34 H new ATOM 0 HB2 PRO A 37 11.633 9.697 -9.820 1.00 33.33 H new ATOM 0 HB3 PRO A 37 13.283 10.224 -10.086 1.00 33.33 H new ATOM 0 HG2 PRO A 37 11.280 11.468 -11.332 1.00 74.14 H new ATOM 0 HG3 PRO A 37 12.789 11.184 -12.177 1.00 74.14 H new ATOM 0 HD2 PRO A 37 10.175 9.688 -12.422 1.00 3.15 H new ATOM 0 HD3 PRO A 37 11.302 10.143 -13.684 1.00 3.15 H new ATOM 537 N ALA A 38 13.330 6.584 -9.839 1.00 5.25 N ATOM 538 CA ALA A 38 13.097 5.426 -8.983 1.00 34.34 C ATOM 539 C ALA A 38 12.297 5.821 -7.744 1.00 32.33 C ATOM 540 O ALA A 38 12.581 6.841 -7.108 1.00 13.31 O ATOM 541 CB ALA A 38 14.423 4.781 -8.585 1.00 11.05 C ATOM 0 H ALA A 38 14.315 6.791 -10.005 1.00 5.25 H new ATOM 0 HA ALA A 38 12.514 4.696 -9.545 1.00 34.34 H new ATOM 0 HB1 ALA A 38 14.231 3.919 -7.947 1.00 11.05 H new ATOM 0 HB2 ALA A 38 14.954 4.458 -9.481 1.00 11.05 H new ATOM 0 HB3 ALA A 38 15.032 5.505 -8.043 1.00 11.05 H new ATOM 547 N GLY A 39 11.304 5.008 -7.400 1.00 34.21 N ATOM 548 CA GLY A 39 10.451 5.298 -6.260 1.00 13.01 C ATOM 549 C GLY A 39 9.024 5.585 -6.673 1.00 60.32 C ATOM 550 O GLY A 39 8.094 5.420 -5.877 1.00 53.32 O ATOM 0 H GLY A 39 11.073 4.146 -7.894 1.00 34.21 H new ATOM 0 HA2 GLY A 39 10.466 4.452 -5.573 1.00 13.01 H new ATOM 0 HA3 GLY A 39 10.850 6.155 -5.718 1.00 13.01 H new ATOM 554 N TRP A 40 8.846 6.034 -7.912 1.00 51.51 N ATOM 555 CA TRP A 40 7.514 6.241 -8.472 1.00 73.43 C ATOM 556 C TRP A 40 7.073 4.963 -9.180 1.00 13.52 C ATOM 557 O TRP A 40 7.914 4.174 -9.611 1.00 74.51 O ATOM 558 CB TRP A 40 7.504 7.428 -9.450 1.00 45.14 C ATOM 559 CG TRP A 40 8.156 8.684 -8.922 1.00 44.13 C ATOM 560 CD1 TRP A 40 8.930 9.553 -9.636 1.00 34.43 C ATOM 561 CD2 TRP A 40 8.099 9.210 -7.583 1.00 12.14 C ATOM 562 NE1 TRP A 40 9.350 10.583 -8.834 1.00 74.20 N ATOM 563 CE2 TRP A 40 8.857 10.396 -7.571 1.00 71.13 C ATOM 564 CE3 TRP A 40 7.482 8.799 -6.398 1.00 32.41 C ATOM 565 CZ2 TRP A 40 9.013 11.171 -6.426 1.00 14.53 C ATOM 566 CZ3 TRP A 40 7.637 9.567 -5.261 1.00 71.15 C ATOM 567 CH2 TRP A 40 8.398 10.743 -5.281 1.00 62.31 C ATOM 0 H TRP A 40 9.609 6.262 -8.549 1.00 51.51 H new ATOM 0 HA TRP A 40 6.819 6.475 -7.665 1.00 73.43 H new ATOM 0 HB2 TRP A 40 8.011 7.130 -10.368 1.00 45.14 H new ATOM 0 HB3 TRP A 40 6.471 7.654 -9.715 1.00 45.14 H new ATOM 0 HD1 TRP A 40 9.176 9.445 -10.682 1.00 34.43 H new ATOM 0 HE1 TRP A 40 9.936 11.363 -9.131 1.00 74.20 H new ATOM 0 HE3 TRP A 40 6.893 7.894 -6.372 1.00 32.41 H new ATOM 0 HZ2 TRP A 40 9.599 12.078 -6.440 1.00 14.53 H new ATOM 0 HZ3 TRP A 40 7.164 9.256 -4.341 1.00 71.15 H new ATOM 0 HH2 TRP A 40 8.501 11.323 -4.376 1.00 62.31 H new ATOM 578 N ARG A 41 5.765 4.750 -9.297 1.00 24.31 N ATOM 579 CA ARG A 41 5.255 3.524 -9.908 1.00 20.05 C ATOM 580 C ARG A 41 4.623 3.835 -11.261 1.00 55.23 C ATOM 581 O ARG A 41 3.743 4.691 -11.367 1.00 13.03 O ATOM 582 CB ARG A 41 4.220 2.866 -8.982 1.00 53.34 C ATOM 583 CG ARG A 41 4.665 2.782 -7.523 1.00 52.42 C ATOM 584 CD ARG A 41 5.979 2.023 -7.360 1.00 12.34 C ATOM 585 NE ARG A 41 6.487 2.105 -5.990 1.00 63.22 N ATOM 586 CZ ARG A 41 7.755 1.874 -5.639 1.00 44.45 C ATOM 587 NH1 ARG A 41 8.655 1.510 -6.548 1.00 42.12 N ATOM 588 NH2 ARG A 41 8.120 2.000 -4.371 1.00 31.14 N ATOM 0 H ARG A 41 5.046 5.401 -8.981 1.00 24.31 H new ATOM 0 HA ARG A 41 6.085 2.834 -10.058 1.00 20.05 H new ATOM 0 HB2 ARG A 41 3.288 3.428 -9.036 1.00 53.34 H new ATOM 0 HB3 ARG A 41 4.007 1.861 -9.346 1.00 53.34 H new ATOM 0 HG2 ARG A 41 4.778 3.789 -7.121 1.00 52.42 H new ATOM 0 HG3 ARG A 41 3.889 2.290 -6.937 1.00 52.42 H new ATOM 0 HD2 ARG A 41 5.831 0.978 -7.631 1.00 12.34 H new ATOM 0 HD3 ARG A 41 6.721 2.429 -8.048 1.00 12.34 H new ATOM 0 HE ARG A 41 5.828 2.356 -5.253 1.00 63.22 H new ATOM 0 HH11 ARG A 41 8.380 1.405 -7.524 1.00 42.12 H new ATOM 0 HH12 ARG A 41 9.620 1.336 -6.269 1.00 42.12 H new ATOM 0 HH21 ARG A 41 7.434 2.272 -3.667 1.00 31.14 H new ATOM 0 HH22 ARG A 41 9.087 1.824 -4.099 1.00 31.14 H new ATOM 602 N VAL A 42 5.076 3.139 -12.295 1.00 41.41 N ATOM 603 CA VAL A 42 4.531 3.322 -13.635 1.00 54.33 C ATOM 604 C VAL A 42 3.383 2.340 -13.891 1.00 41.04 C ATOM 605 O VAL A 42 3.545 1.125 -13.756 1.00 60.22 O ATOM 606 CB VAL A 42 5.631 3.185 -14.726 1.00 3.04 C ATOM 607 CG1 VAL A 42 6.236 1.782 -14.739 1.00 41.04 C ATOM 608 CG2 VAL A 42 5.084 3.564 -16.103 1.00 13.44 C ATOM 0 H VAL A 42 5.819 2.443 -12.233 1.00 41.41 H new ATOM 0 HA VAL A 42 4.137 4.337 -13.695 1.00 54.33 H new ATOM 0 HB VAL A 42 6.432 3.882 -14.478 1.00 3.04 H new ATOM 0 HG11 VAL A 42 7.001 1.723 -15.513 1.00 41.04 H new ATOM 0 HG12 VAL A 42 6.685 1.570 -13.769 1.00 41.04 H new ATOM 0 HG13 VAL A 42 5.454 1.051 -14.944 1.00 41.04 H new ATOM 0 HG21 VAL A 42 5.872 3.460 -16.849 1.00 13.44 H new ATOM 0 HG22 VAL A 42 4.254 2.906 -16.358 1.00 13.44 H new ATOM 0 HG23 VAL A 42 4.736 4.597 -16.085 1.00 13.44 H new ATOM 618 N VAL A 43 2.216 2.873 -14.229 1.00 12.04 N ATOM 619 CA VAL A 43 1.061 2.046 -14.566 1.00 4.12 C ATOM 620 C VAL A 43 1.270 1.411 -15.939 1.00 0.32 C ATOM 621 O VAL A 43 0.966 0.238 -16.153 1.00 14.03 O ATOM 622 CB VAL A 43 -0.251 2.874 -14.565 1.00 51.33 C ATOM 623 CG1 VAL A 43 -1.461 2.003 -14.909 1.00 51.05 C ATOM 624 CG2 VAL A 43 -0.448 3.563 -13.214 1.00 73.33 C ATOM 0 H VAL A 43 2.042 3.877 -14.278 1.00 12.04 H new ATOM 0 HA VAL A 43 0.968 1.269 -13.808 1.00 4.12 H new ATOM 0 HB VAL A 43 -0.164 3.639 -15.337 1.00 51.33 H new ATOM 0 HG11 VAL A 43 -2.364 2.614 -14.900 1.00 51.05 H new ATOM 0 HG12 VAL A 43 -1.327 1.569 -15.900 1.00 51.05 H new ATOM 0 HG13 VAL A 43 -1.556 1.205 -14.173 1.00 51.05 H new ATOM 0 HG21 VAL A 43 -1.373 4.139 -13.231 1.00 73.33 H new ATOM 0 HG22 VAL A 43 -0.503 2.811 -12.427 1.00 73.33 H new ATOM 0 HG23 VAL A 43 0.392 4.230 -13.020 1.00 73.33 H new ATOM 634 N HIS A 44 1.806 2.204 -16.860 1.00 64.55 N ATOM 635 CA HIS A 44 2.157 1.724 -18.194 1.00 44.42 C ATOM 636 C HIS A 44 3.148 2.688 -18.829 1.00 73.35 C ATOM 637 O HIS A 44 3.040 3.905 -18.636 1.00 2.12 O ATOM 638 CB HIS A 44 0.915 1.583 -19.086 1.00 33.41 C ATOM 639 CG HIS A 44 1.188 0.852 -20.372 1.00 64.22 C ATOM 640 ND1 HIS A 44 1.474 1.482 -21.565 1.00 63.31 N ATOM 641 CD2 HIS A 44 1.219 -0.477 -20.637 1.00 24.33 C ATOM 642 CE1 HIS A 44 1.667 0.573 -22.504 1.00 61.35 C ATOM 643 NE2 HIS A 44 1.518 -0.623 -21.968 1.00 12.24 N ATOM 0 H HIS A 44 2.009 3.192 -16.706 1.00 64.55 H new ATOM 0 HA HIS A 44 2.608 0.736 -18.098 1.00 44.42 H new ATOM 0 HB2 HIS A 44 0.137 1.055 -18.534 1.00 33.41 H new ATOM 0 HB3 HIS A 44 0.526 2.575 -19.315 1.00 33.41 H new ATOM 0 HD1 HIS A 44 1.528 2.491 -21.701 1.00 63.31 H new ATOM 0 HD2 HIS A 44 1.041 -1.274 -19.930 1.00 24.33 H new ATOM 0 HE1 HIS A 44 1.907 0.775 -23.537 1.00 61.35 H new ATOM 652 N GLY A 45 4.115 2.142 -19.560 1.00 42.11 N ATOM 653 CA GLY A 45 5.130 2.958 -20.201 1.00 12.53 C ATOM 654 C GLY A 45 4.695 3.468 -21.561 1.00 61.03 C ATOM 655 O GLY A 45 3.526 3.334 -21.932 1.00 13.13 O ATOM 0 H GLY A 45 4.214 1.140 -19.721 1.00 42.11 H new ATOM 0 HA2 GLY A 45 5.369 3.806 -19.559 1.00 12.53 H new ATOM 0 HA3 GLY A 45 6.044 2.374 -20.311 1.00 12.53 H new ATOM 659 N GLU A 46 5.643 4.061 -22.291 1.00 70.20 N ATOM 660 CA GLU A 46 5.397 4.609 -23.629 1.00 12.32 C ATOM 661 C GLU A 46 4.737 3.559 -24.528 1.00 41.42 C ATOM 662 O GLU A 46 5.094 2.379 -24.482 1.00 12.04 O ATOM 663 CB GLU A 46 6.725 5.106 -24.228 1.00 10.22 C ATOM 664 CG GLU A 46 7.829 4.048 -24.247 1.00 43.31 C ATOM 665 CD GLU A 46 9.194 4.615 -24.611 1.00 74.34 C ATOM 666 OE1 GLU A 46 9.456 4.842 -25.813 1.00 62.12 O ATOM 667 OE2 GLU A 46 10.022 4.832 -23.695 1.00 5.12 O ATOM 0 H GLU A 46 6.605 4.175 -21.971 1.00 70.20 H new ATOM 0 HA GLU A 46 4.710 5.452 -23.556 1.00 12.32 H new ATOM 0 HB2 GLU A 46 6.547 5.450 -25.247 1.00 10.22 H new ATOM 0 HB3 GLU A 46 7.070 5.968 -23.657 1.00 10.22 H new ATOM 0 HG2 GLU A 46 7.888 3.576 -23.266 1.00 43.31 H new ATOM 0 HG3 GLU A 46 7.564 3.268 -24.961 1.00 43.31 H new ATOM 674 N ALA A 47 3.778 3.991 -25.345 1.00 23.10 N ATOM 675 CA ALA A 47 2.938 3.058 -26.093 1.00 63.51 C ATOM 676 C ALA A 47 2.590 3.577 -27.491 1.00 73.41 C ATOM 677 O ALA A 47 3.021 4.661 -27.893 1.00 62.32 O ATOM 678 CB ALA A 47 1.672 2.764 -25.301 1.00 61.02 C ATOM 0 H ALA A 47 3.564 4.975 -25.505 1.00 23.10 H new ATOM 0 HA ALA A 47 3.506 2.138 -26.233 1.00 63.51 H new ATOM 0 HB1 ALA A 47 1.046 2.068 -25.860 1.00 61.02 H new ATOM 0 HB2 ALA A 47 1.938 2.322 -24.341 1.00 61.02 H new ATOM 0 HB3 ALA A 47 1.124 3.691 -25.134 1.00 61.02 H new ATOM 684 N ASP A 48 1.794 2.784 -28.213 1.00 43.44 N ATOM 685 CA ASP A 48 1.465 3.036 -29.618 1.00 51.31 C ATOM 686 C ASP A 48 0.184 3.868 -29.774 1.00 41.22 C ATOM 687 O ASP A 48 -0.463 4.240 -28.791 1.00 41.42 O ATOM 688 CB ASP A 48 1.299 1.699 -30.354 1.00 34.15 C ATOM 689 CG ASP A 48 0.066 0.931 -29.900 1.00 34.52 C ATOM 690 OD1 ASP A 48 0.016 0.511 -28.724 1.00 61.52 O ATOM 691 OD2 ASP A 48 -0.861 0.750 -30.714 1.00 44.10 O ATOM 0 H ASP A 48 1.357 1.943 -27.836 1.00 43.44 H new ATOM 0 HA ASP A 48 2.286 3.609 -30.050 1.00 51.31 H new ATOM 0 HB2 ASP A 48 1.233 1.884 -31.426 1.00 34.15 H new ATOM 0 HB3 ASP A 48 2.185 1.086 -30.191 1.00 34.15 H new ATOM 696 N ARG A 49 -0.173 4.141 -31.032 1.00 53.53 N ATOM 697 CA ARG A 49 -1.331 4.972 -31.378 1.00 35.31 C ATOM 698 C ARG A 49 -2.643 4.367 -30.853 1.00 63.41 C ATOM 699 O ARG A 49 -3.515 5.087 -30.357 1.00 64.05 O ATOM 700 CB ARG A 49 -1.376 5.164 -32.907 1.00 64.50 C ATOM 701 CG ARG A 49 -2.410 6.177 -33.413 1.00 25.32 C ATOM 702 CD ARG A 49 -3.789 5.556 -33.618 1.00 61.13 C ATOM 703 NE ARG A 49 -4.747 6.522 -34.163 1.00 44.12 N ATOM 704 CZ ARG A 49 -5.908 6.191 -34.730 1.00 64.24 C ATOM 705 NH1 ARG A 49 -6.265 4.915 -34.835 1.00 24.55 N ATOM 706 NH2 ARG A 49 -6.714 7.138 -35.194 1.00 74.33 N ATOM 0 H ARG A 49 0.335 3.790 -31.844 1.00 53.53 H new ATOM 0 HA ARG A 49 -1.223 5.944 -30.896 1.00 35.31 H new ATOM 0 HB2 ARG A 49 -0.389 5.478 -33.246 1.00 64.50 H new ATOM 0 HB3 ARG A 49 -1.580 4.199 -33.371 1.00 64.50 H new ATOM 0 HG2 ARG A 49 -2.488 6.998 -32.700 1.00 25.32 H new ATOM 0 HG3 ARG A 49 -2.064 6.604 -34.354 1.00 25.32 H new ATOM 0 HD2 ARG A 49 -3.707 4.705 -34.294 1.00 61.13 H new ATOM 0 HD3 ARG A 49 -4.160 5.173 -32.667 1.00 61.13 H new ATOM 0 HE ARG A 49 -4.510 7.512 -34.105 1.00 44.12 H new ATOM 0 HH11 ARG A 49 -5.650 4.183 -34.481 1.00 24.55 H new ATOM 0 HH12 ARG A 49 -7.154 4.668 -35.270 1.00 24.55 H new ATOM 0 HH21 ARG A 49 -6.446 8.119 -35.117 1.00 74.33 H new ATOM 0 HH22 ARG A 49 -7.602 6.885 -35.628 1.00 74.33 H new ATOM 720 N ALA A 50 -2.788 3.049 -30.958 1.00 72.03 N ATOM 721 CA ALA A 50 -3.980 2.381 -30.434 1.00 51.03 C ATOM 722 C ALA A 50 -4.056 2.574 -28.922 1.00 12.03 C ATOM 723 O ALA A 50 -5.136 2.743 -28.355 1.00 12.24 O ATOM 724 CB ALA A 50 -3.984 0.900 -30.795 1.00 12.12 C ATOM 0 H ALA A 50 -2.107 2.428 -31.394 1.00 72.03 H new ATOM 0 HA ALA A 50 -4.861 2.830 -30.892 1.00 51.03 H new ATOM 0 HB1 ALA A 50 -4.881 0.430 -30.393 1.00 12.12 H new ATOM 0 HB2 ALA A 50 -3.972 0.790 -31.879 1.00 12.12 H new ATOM 0 HB3 ALA A 50 -3.102 0.420 -30.372 1.00 12.12 H new ATOM 730 N ALA A 51 -2.891 2.569 -28.284 1.00 52.32 N ATOM 731 CA ALA A 51 -2.783 2.844 -26.857 1.00 4.44 C ATOM 732 C ALA A 51 -3.119 4.306 -26.566 1.00 42.22 C ATOM 733 O ALA A 51 -3.573 4.655 -25.471 1.00 11.11 O ATOM 734 CB ALA A 51 -1.396 2.493 -26.355 1.00 13.05 C ATOM 0 H ALA A 51 -1.999 2.375 -28.739 1.00 52.32 H new ATOM 0 HA ALA A 51 -3.503 2.222 -26.326 1.00 4.44 H new ATOM 0 HB1 ALA A 51 -1.331 2.704 -25.288 1.00 13.05 H new ATOM 0 HB2 ALA A 51 -1.204 1.434 -26.528 1.00 13.05 H new ATOM 0 HB3 ALA A 51 -0.655 3.088 -26.888 1.00 13.05 H new ATOM 740 N CYS A 52 -2.828 5.175 -27.525 1.00 32.44 N ATOM 741 CA CYS A 52 -3.276 6.560 -27.446 1.00 51.42 C ATOM 742 C CYS A 52 -4.793 6.595 -27.370 1.00 23.32 C ATOM 743 O CYS A 52 -5.368 7.264 -26.512 1.00 3.22 O ATOM 744 CB CYS A 52 -2.780 7.371 -28.650 1.00 61.32 C ATOM 745 SG CYS A 52 -3.281 9.109 -28.627 1.00 33.32 S ATOM 0 H CYS A 52 -2.288 4.949 -28.360 1.00 32.44 H new ATOM 0 HA CYS A 52 -2.857 7.014 -26.548 1.00 51.42 H new ATOM 0 HB2 CYS A 52 -1.692 7.318 -28.687 1.00 61.32 H new ATOM 0 HB3 CYS A 52 -3.153 6.909 -29.564 1.00 61.32 H new ATOM 0 HG CYS A 52 -2.814 9.709 -29.681 1.00 33.32 H new ATOM 751 N LEU A 53 -5.431 5.836 -28.258 1.00 43.35 N ATOM 752 CA LEU A 53 -6.888 5.724 -28.275 1.00 74.32 C ATOM 753 C LEU A 53 -7.407 5.215 -26.928 1.00 2.01 C ATOM 754 O LEU A 53 -8.499 5.588 -26.494 1.00 41.12 O ATOM 755 CB LEU A 53 -7.346 4.791 -29.404 1.00 44.01 C ATOM 756 CG LEU A 53 -6.941 5.221 -30.822 1.00 62.22 C ATOM 757 CD1 LEU A 53 -7.454 4.216 -31.852 1.00 70.12 C ATOM 758 CD2 LEU A 53 -7.460 6.629 -31.124 1.00 15.11 C ATOM 0 H LEU A 53 -4.960 5.288 -28.978 1.00 43.35 H new ATOM 0 HA LEU A 53 -7.301 6.717 -28.454 1.00 74.32 H new ATOM 0 HB2 LEU A 53 -6.943 3.796 -29.216 1.00 44.01 H new ATOM 0 HB3 LEU A 53 -8.432 4.707 -29.365 1.00 44.01 H new ATOM 0 HG LEU A 53 -5.853 5.242 -30.882 1.00 62.22 H new ATOM 0 HD11 LEU A 53 -7.158 4.536 -32.851 1.00 70.12 H new ATOM 0 HD12 LEU A 53 -7.029 3.234 -31.645 1.00 70.12 H new ATOM 0 HD13 LEU A 53 -8.541 4.160 -31.796 1.00 70.12 H new ATOM 0 HD21 LEU A 53 -7.164 6.917 -32.133 1.00 15.11 H new ATOM 0 HD22 LEU A 53 -8.547 6.640 -31.048 1.00 15.11 H new ATOM 0 HD23 LEU A 53 -7.039 7.334 -30.407 1.00 15.11 H new ATOM 770 N GLU A 54 -6.616 4.365 -26.272 1.00 54.41 N ATOM 771 CA GLU A 54 -6.989 3.825 -24.967 1.00 14.33 C ATOM 772 C GLU A 54 -6.968 4.921 -23.902 1.00 52.22 C ATOM 773 O GLU A 54 -7.960 5.143 -23.211 1.00 22.30 O ATOM 774 CB GLU A 54 -6.038 2.695 -24.539 1.00 0.25 C ATOM 775 CG GLU A 54 -6.061 1.459 -25.438 1.00 41.53 C ATOM 776 CD GLU A 54 -5.203 0.324 -24.886 1.00 73.12 C ATOM 777 OE1 GLU A 54 -5.728 -0.497 -24.098 1.00 65.32 O ATOM 778 OE2 GLU A 54 -4.004 0.251 -25.223 1.00 55.44 O ATOM 0 H GLU A 54 -5.716 4.037 -26.623 1.00 54.41 H new ATOM 0 HA GLU A 54 -7.999 3.425 -25.060 1.00 14.33 H new ATOM 0 HB2 GLU A 54 -5.021 3.087 -24.511 1.00 0.25 H new ATOM 0 HB3 GLU A 54 -6.291 2.392 -23.523 1.00 0.25 H new ATOM 0 HG2 GLU A 54 -7.089 1.113 -25.550 1.00 41.53 H new ATOM 0 HG3 GLU A 54 -5.706 1.729 -26.432 1.00 41.53 H new ATOM 785 N TYR A 55 -5.842 5.626 -23.794 1.00 63.34 N ATOM 786 CA TYR A 55 -5.654 6.607 -22.718 1.00 53.30 C ATOM 787 C TYR A 55 -6.634 7.772 -22.829 1.00 12.43 C ATOM 788 O TYR A 55 -7.225 8.185 -21.829 1.00 25.40 O ATOM 789 CB TYR A 55 -4.203 7.100 -22.698 1.00 54.33 C ATOM 790 CG TYR A 55 -3.887 8.149 -21.652 1.00 33.53 C ATOM 791 CD1 TYR A 55 -4.115 7.905 -20.300 1.00 42.04 C ATOM 792 CD2 TYR A 55 -3.329 9.371 -22.012 1.00 54.33 C ATOM 793 CE1 TYR A 55 -3.798 8.848 -19.344 1.00 5.14 C ATOM 794 CE2 TYR A 55 -3.014 10.320 -21.059 1.00 14.43 C ATOM 795 CZ TYR A 55 -3.249 10.054 -19.727 1.00 71.24 C ATOM 796 OH TYR A 55 -2.926 10.993 -18.774 1.00 1.32 O ATOM 0 H TYR A 55 -5.050 5.540 -24.431 1.00 63.34 H new ATOM 0 HA TYR A 55 -5.865 6.109 -21.771 1.00 53.30 H new ATOM 0 HB2 TYR A 55 -3.548 6.243 -22.538 1.00 54.33 H new ATOM 0 HB3 TYR A 55 -3.962 7.507 -23.680 1.00 54.33 H new ATOM 0 HD1 TYR A 55 -4.547 6.963 -19.995 1.00 42.04 H new ATOM 0 HD2 TYR A 55 -3.139 9.581 -23.054 1.00 54.33 H new ATOM 0 HE1 TYR A 55 -3.979 8.643 -18.299 1.00 5.14 H new ATOM 0 HE2 TYR A 55 -2.586 11.266 -21.356 1.00 14.43 H new ATOM 0 HH TYR A 55 -2.549 11.785 -19.210 1.00 1.32 H new ATOM 806 N ILE A 56 -6.822 8.287 -24.040 1.00 72.14 N ATOM 807 CA ILE A 56 -7.741 9.404 -24.256 1.00 54.34 C ATOM 808 C ILE A 56 -9.179 9.000 -23.932 1.00 35.30 C ATOM 809 O ILE A 56 -9.943 9.774 -23.348 1.00 14.25 O ATOM 810 CB ILE A 56 -7.673 9.949 -25.711 1.00 50.34 C ATOM 811 CG1 ILE A 56 -8.692 11.083 -25.910 1.00 13.53 C ATOM 812 CG2 ILE A 56 -7.920 8.835 -26.728 1.00 54.41 C ATOM 813 CD1 ILE A 56 -8.612 11.755 -27.268 1.00 32.34 C ATOM 0 H ILE A 56 -6.355 7.953 -24.883 1.00 72.14 H new ATOM 0 HA ILE A 56 -7.426 10.199 -23.580 1.00 54.34 H new ATOM 0 HB ILE A 56 -6.670 10.344 -25.874 1.00 50.34 H new ATOM 0 HG12 ILE A 56 -9.697 10.683 -25.773 1.00 13.53 H new ATOM 0 HG13 ILE A 56 -8.540 11.834 -25.135 1.00 13.53 H new ATOM 0 HG21 ILE A 56 -7.867 9.245 -27.737 1.00 54.41 H new ATOM 0 HG22 ILE A 56 -7.162 8.060 -26.610 1.00 54.41 H new ATOM 0 HG23 ILE A 56 -8.908 8.404 -26.563 1.00 54.41 H new ATOM 0 HD11 ILE A 56 -9.363 12.543 -27.329 1.00 32.34 H new ATOM 0 HD12 ILE A 56 -7.620 12.187 -27.402 1.00 32.34 H new ATOM 0 HD13 ILE A 56 -8.795 11.018 -28.050 1.00 32.34 H new ATOM 825 N GLU A 57 -9.543 7.780 -24.313 1.00 31.32 N ATOM 826 CA GLU A 57 -10.904 7.292 -24.121 1.00 13.01 C ATOM 827 C GLU A 57 -11.158 6.977 -22.646 1.00 51.21 C ATOM 828 O GLU A 57 -12.267 7.175 -22.140 1.00 71.31 O ATOM 829 CB GLU A 57 -11.156 6.064 -24.999 1.00 52.35 C ATOM 830 CG GLU A 57 -12.634 5.785 -25.251 1.00 14.33 C ATOM 831 CD GLU A 57 -13.341 6.960 -25.916 1.00 72.01 C ATOM 832 OE1 GLU A 57 -13.248 7.098 -27.157 1.00 53.13 O ATOM 833 OE2 GLU A 57 -13.986 7.757 -25.203 1.00 43.21 O ATOM 0 H GLU A 57 -8.914 7.111 -24.757 1.00 31.32 H new ATOM 0 HA GLU A 57 -11.602 8.073 -24.421 1.00 13.01 H new ATOM 0 HB2 GLU A 57 -10.653 6.203 -25.956 1.00 52.35 H new ATOM 0 HB3 GLU A 57 -10.706 5.191 -24.526 1.00 52.35 H new ATOM 0 HG2 GLU A 57 -12.732 4.901 -25.882 1.00 14.33 H new ATOM 0 HG3 GLU A 57 -13.125 5.557 -24.305 1.00 14.33 H new ATOM 840 N GLU A 58 -10.127 6.481 -21.962 1.00 12.22 N ATOM 841 CA GLU A 58 -10.178 6.305 -20.510 1.00 60.15 C ATOM 842 C GLU A 58 -10.284 7.668 -19.842 1.00 33.10 C ATOM 843 O GLU A 58 -10.996 7.840 -18.849 1.00 31.32 O ATOM 844 CB GLU A 58 -8.923 5.580 -19.998 1.00 74.11 C ATOM 845 CG GLU A 58 -8.833 4.117 -20.412 1.00 63.14 C ATOM 846 CD GLU A 58 -9.971 3.282 -19.853 1.00 0.13 C ATOM 847 OE1 GLU A 58 -10.059 3.144 -18.614 1.00 52.44 O ATOM 848 OE2 GLU A 58 -10.785 2.766 -20.645 1.00 74.42 O ATOM 0 H GLU A 58 -9.247 6.194 -22.390 1.00 12.22 H new ATOM 0 HA GLU A 58 -11.049 5.698 -20.265 1.00 60.15 H new ATOM 0 HB2 GLU A 58 -8.040 6.104 -20.364 1.00 74.11 H new ATOM 0 HB3 GLU A 58 -8.901 5.640 -18.910 1.00 74.11 H new ATOM 0 HG2 GLU A 58 -8.838 4.050 -21.500 1.00 63.14 H new ATOM 0 HG3 GLU A 58 -7.883 3.705 -20.072 1.00 63.14 H new ATOM 855 N HIS A 59 -9.556 8.626 -20.413 1.00 11.51 N ATOM 856 CA HIS A 59 -9.529 10.005 -19.941 1.00 45.14 C ATOM 857 C HIS A 59 -9.167 10.058 -18.459 1.00 52.43 C ATOM 858 O HIS A 59 -9.898 10.635 -17.646 1.00 13.30 O ATOM 859 CB HIS A 59 -10.876 10.700 -20.207 1.00 40.10 C ATOM 860 CG HIS A 59 -10.717 12.130 -20.621 1.00 63.15 C ATOM 861 ND1 HIS A 59 -10.461 13.150 -19.736 1.00 32.20 N ATOM 862 CD2 HIS A 59 -10.719 12.695 -21.849 1.00 71.52 C ATOM 863 CE1 HIS A 59 -10.314 14.278 -20.400 1.00 40.20 C ATOM 864 NE2 HIS A 59 -10.460 14.036 -21.692 1.00 25.42 N ATOM 0 H HIS A 59 -8.962 8.462 -21.226 1.00 11.51 H new ATOM 0 HA HIS A 59 -8.760 10.543 -20.496 1.00 45.14 H new ATOM 0 HB2 HIS A 59 -11.412 10.158 -20.986 1.00 40.10 H new ATOM 0 HB3 HIS A 59 -11.489 10.653 -19.307 1.00 40.10 H new ATOM 0 HD1 HIS A 59 -10.395 13.049 -18.723 1.00 32.20 H new ATOM 0 HD2 HIS A 59 -10.893 12.185 -22.785 1.00 71.52 H new ATOM 0 HE1 HIS A 59 -10.108 15.243 -19.961 1.00 40.20 H new ATOM 873 N TRP A 60 -8.028 9.448 -18.124 1.00 72.13 N ATOM 874 CA TRP A 60 -7.558 9.379 -16.739 1.00 71.34 C ATOM 875 C TRP A 60 -7.506 10.786 -16.114 1.00 40.15 C ATOM 876 O TRP A 60 -7.948 10.974 -14.978 1.00 70.12 O ATOM 877 CB TRP A 60 -6.182 8.685 -16.664 1.00 31.04 C ATOM 878 CG TRP A 60 -5.894 8.038 -15.336 1.00 11.01 C ATOM 879 CD1 TRP A 60 -6.012 8.603 -14.100 1.00 44.10 C ATOM 880 CD2 TRP A 60 -5.422 6.701 -15.120 1.00 62.15 C ATOM 881 NE1 TRP A 60 -5.658 7.698 -13.130 1.00 64.53 N ATOM 882 CE2 TRP A 60 -5.287 6.526 -13.730 1.00 60.21 C ATOM 883 CE3 TRP A 60 -5.102 5.633 -15.968 1.00 74.23 C ATOM 884 CZ2 TRP A 60 -4.848 5.328 -13.169 1.00 64.01 C ATOM 885 CZ3 TRP A 60 -4.666 4.445 -15.409 1.00 24.12 C ATOM 886 CH2 TRP A 60 -4.542 4.302 -14.019 1.00 3.21 C ATOM 0 H TRP A 60 -7.411 8.993 -18.797 1.00 72.13 H new ATOM 0 HA TRP A 60 -8.265 8.781 -16.164 1.00 71.34 H new ATOM 0 HB2 TRP A 60 -6.126 7.927 -17.445 1.00 31.04 H new ATOM 0 HB3 TRP A 60 -5.404 9.419 -16.875 1.00 31.04 H new ATOM 0 HD1 TRP A 60 -6.337 9.616 -13.912 1.00 44.10 H new ATOM 0 HE1 TRP A 60 -5.670 7.871 -12.125 1.00 64.53 H new ATOM 0 HE3 TRP A 60 -5.194 5.735 -17.039 1.00 74.23 H new ATOM 0 HZ2 TRP A 60 -4.753 5.214 -12.099 1.00 64.01 H new ATOM 0 HZ3 TRP A 60 -4.417 3.614 -16.053 1.00 24.12 H new ATOM 0 HH2 TRP A 60 -4.198 3.363 -13.612 1.00 3.21 H new ATOM 897 N PRO A 61 -6.961 11.800 -16.829 1.00 53.15 N ATOM 898 CA PRO A 61 -7.070 13.190 -16.394 1.00 60.42 C ATOM 899 C PRO A 61 -8.497 13.704 -16.585 1.00 63.32 C ATOM 900 O PRO A 61 -8.915 13.992 -17.708 1.00 74.04 O ATOM 901 CB PRO A 61 -6.087 13.958 -17.303 1.00 23.13 C ATOM 902 CG PRO A 61 -5.303 12.907 -18.020 1.00 54.12 C ATOM 903 CD PRO A 61 -6.189 11.694 -18.079 1.00 12.01 C ATOM 0 HA PRO A 61 -6.838 13.313 -15.336 1.00 60.42 H new ATOM 0 HB2 PRO A 61 -6.621 14.598 -18.006 1.00 23.13 H new ATOM 0 HB3 PRO A 61 -5.433 14.604 -16.717 1.00 23.13 H new ATOM 0 HG2 PRO A 61 -5.030 13.240 -19.022 1.00 54.12 H new ATOM 0 HG3 PRO A 61 -4.374 12.686 -17.494 1.00 54.12 H new ATOM 0 HD2 PRO A 61 -6.835 11.706 -18.957 1.00 12.01 H new ATOM 0 HD3 PRO A 61 -5.611 10.771 -18.121 1.00 12.01 H new ATOM 911 N ASP A 62 -9.251 13.776 -15.494 1.00 32.11 N ATOM 912 CA ASP A 62 -10.640 14.226 -15.544 1.00 14.31 C ATOM 913 C ASP A 62 -10.724 15.627 -16.143 1.00 34.34 C ATOM 914 O ASP A 62 -11.425 15.841 -17.131 1.00 74.44 O ATOM 915 CB ASP A 62 -11.257 14.211 -14.139 1.00 44.51 C ATOM 916 CG ASP A 62 -12.745 14.528 -14.152 1.00 24.42 C ATOM 917 OD1 ASP A 62 -13.533 13.674 -14.615 1.00 14.01 O ATOM 918 OD2 ASP A 62 -13.140 15.616 -13.683 1.00 61.41 O ATOM 0 H ASP A 62 -8.924 13.528 -14.560 1.00 32.11 H new ATOM 0 HA ASP A 62 -11.203 13.542 -16.179 1.00 14.31 H new ATOM 0 HB2 ASP A 62 -11.102 13.231 -13.688 1.00 44.51 H new ATOM 0 HB3 ASP A 62 -10.740 14.936 -13.511 1.00 44.51 H new ATOM 923 N ILE A 63 -9.951 16.548 -15.545 1.00 0.00 N ATOM 924 CA ILE A 63 -9.852 17.964 -15.955 1.00 44.50 C ATOM 925 C ILE A 63 -11.211 18.602 -16.308 1.00 32.32 C ATOM 926 O ILE A 63 -11.725 19.423 -15.548 1.00 13.12 O ATOM 927 CB ILE A 63 -8.800 18.199 -17.092 1.00 41.40 C ATOM 928 CG1 ILE A 63 -9.066 17.317 -18.329 1.00 23.02 C ATOM 929 CG2 ILE A 63 -7.386 17.952 -16.557 1.00 3.52 C ATOM 930 CD1 ILE A 63 -8.085 17.533 -19.464 1.00 43.03 C ATOM 0 H ILE A 63 -9.362 16.326 -14.743 1.00 0.00 H new ATOM 0 HA ILE A 63 -9.489 18.482 -15.067 1.00 44.50 H new ATOM 0 HB ILE A 63 -8.893 19.237 -17.413 1.00 41.40 H new ATOM 0 HG12 ILE A 63 -9.034 16.270 -18.029 1.00 23.02 H new ATOM 0 HG13 ILE A 63 -10.075 17.514 -18.692 1.00 23.02 H new ATOM 0 HG21 ILE A 63 -6.661 18.118 -17.354 1.00 3.52 H new ATOM 0 HG22 ILE A 63 -7.183 18.638 -15.734 1.00 3.52 H new ATOM 0 HG23 ILE A 63 -7.306 16.925 -16.201 1.00 3.52 H new ATOM 0 HD11 ILE A 63 -8.340 16.876 -20.296 1.00 43.03 H new ATOM 0 HD12 ILE A 63 -8.133 18.571 -19.794 1.00 43.03 H new ATOM 0 HD13 ILE A 63 -7.075 17.308 -19.120 1.00 43.03 H new ATOM 942 N ARG A 64 -11.785 18.229 -17.446 1.00 63.13 N ATOM 943 CA ARG A 64 -13.070 18.759 -17.877 1.00 42.30 C ATOM 944 C ARG A 64 -13.682 17.834 -18.928 1.00 24.20 C ATOM 945 O ARG A 64 -13.380 17.951 -20.123 1.00 71.42 O ATOM 946 CB ARG A 64 -12.914 20.177 -18.450 1.00 5.01 C ATOM 947 CG ARG A 64 -14.242 20.825 -18.823 1.00 72.23 C ATOM 948 CD ARG A 64 -14.057 22.118 -19.606 1.00 23.51 C ATOM 949 NE ARG A 64 -13.333 23.142 -18.849 1.00 24.12 N ATOM 950 CZ ARG A 64 -13.896 24.243 -18.354 1.00 51.34 C ATOM 951 NH1 ARG A 64 -15.214 24.384 -18.366 1.00 21.41 N ATOM 952 NH2 ARG A 64 -13.138 25.174 -17.793 1.00 1.45 N ATOM 0 H ARG A 64 -11.374 17.554 -18.092 1.00 63.13 H new ATOM 0 HA ARG A 64 -13.731 18.812 -17.012 1.00 42.30 H new ATOM 0 HB2 ARG A 64 -12.405 20.803 -17.718 1.00 5.01 H new ATOM 0 HB3 ARG A 64 -12.276 20.137 -19.333 1.00 5.01 H new ATOM 0 HG2 ARG A 64 -14.831 20.125 -19.416 1.00 72.23 H new ATOM 0 HG3 ARG A 64 -14.810 21.031 -17.916 1.00 72.23 H new ATOM 0 HD2 ARG A 64 -13.517 21.905 -20.528 1.00 23.51 H new ATOM 0 HD3 ARG A 64 -15.034 22.507 -19.892 1.00 23.51 H new ATOM 0 HE ARG A 64 -12.335 23.003 -18.691 1.00 24.12 H new ATOM 0 HH11 ARG A 64 -15.802 23.647 -18.756 1.00 21.41 H new ATOM 0 HH12 ARG A 64 -15.640 25.229 -17.986 1.00 21.41 H new ATOM 0 HH21 ARG A 64 -12.127 25.046 -17.741 1.00 1.45 H new ATOM 0 HH22 ARG A 64 -13.565 26.019 -17.413 1.00 1.45 H new ATOM 966 N PRO A 65 -14.512 16.866 -18.501 1.00 13.42 N ATOM 967 CA PRO A 65 -15.209 15.956 -19.415 1.00 21.15 C ATOM 968 C PRO A 65 -16.248 16.691 -20.259 1.00 52.11 C ATOM 969 O PRO A 65 -17.424 16.767 -19.893 1.00 62.12 O ATOM 970 CB PRO A 65 -15.883 14.929 -18.483 1.00 31.52 C ATOM 971 CG PRO A 65 -15.228 15.118 -17.155 1.00 32.30 C ATOM 972 CD PRO A 65 -14.828 16.565 -17.094 1.00 31.11 C ATOM 0 HA PRO A 65 -14.529 15.494 -20.130 1.00 21.15 H new ATOM 0 HB2 PRO A 65 -16.958 15.100 -18.420 1.00 31.52 H new ATOM 0 HB3 PRO A 65 -15.743 13.912 -18.850 1.00 31.52 H new ATOM 0 HG2 PRO A 65 -15.911 14.867 -16.344 1.00 32.30 H new ATOM 0 HG3 PRO A 65 -14.359 14.468 -17.052 1.00 32.30 H new ATOM 0 HD2 PRO A 65 -15.634 17.194 -16.715 1.00 31.11 H new ATOM 0 HD3 PRO A 65 -13.969 16.722 -16.442 1.00 31.11 H new ATOM 980 N LYS A 66 -15.797 17.260 -21.374 1.00 32.35 N ATOM 981 CA LYS A 66 -16.678 18.007 -22.276 1.00 12.54 C ATOM 982 C LYS A 66 -17.510 17.059 -23.139 1.00 64.54 C ATOM 983 O LYS A 66 -18.387 17.503 -23.884 1.00 64.34 O ATOM 984 CB LYS A 66 -15.856 18.929 -23.193 1.00 13.42 C ATOM 985 CG LYS A 66 -14.882 19.845 -22.459 1.00 20.12 C ATOM 986 CD LYS A 66 -14.249 20.877 -23.395 1.00 14.20 C ATOM 987 CE LYS A 66 -13.539 20.236 -24.588 1.00 34.20 C ATOM 988 NZ LYS A 66 -12.932 21.253 -25.497 1.00 63.22 N ATOM 0 H LYS A 66 -14.824 17.219 -21.678 1.00 32.35 H new ATOM 0 HA LYS A 66 -17.347 18.607 -21.659 1.00 12.54 H new ATOM 0 HB2 LYS A 66 -15.296 18.314 -23.898 1.00 13.42 H new ATOM 0 HB3 LYS A 66 -16.541 19.542 -23.779 1.00 13.42 H new ATOM 0 HG2 LYS A 66 -15.405 20.359 -21.653 1.00 20.12 H new ATOM 0 HG3 LYS A 66 -14.098 19.245 -21.998 1.00 20.12 H new ATOM 0 HD2 LYS A 66 -15.022 21.554 -23.759 1.00 14.20 H new ATOM 0 HD3 LYS A 66 -13.535 21.480 -22.834 1.00 14.20 H new ATOM 0 HE2 LYS A 66 -12.761 19.564 -24.227 1.00 34.20 H new ATOM 0 HE3 LYS A 66 -14.250 19.629 -25.148 1.00 34.20 H new ATOM 0 HZ1 LYS A 66 -12.751 20.824 -26.427 1.00 63.22 H new ATOM 0 HZ2 LYS A 66 -13.586 22.054 -25.607 1.00 63.22 H new ATOM 0 HZ3 LYS A 66 -12.036 21.590 -25.091 1.00 63.22 H new ATOM 1002 N SER A 67 -17.226 15.760 -23.024 1.00 62.31 N ATOM 1003 CA SER A 67 -17.798 14.745 -23.906 1.00 54.23 C ATOM 1004 C SER A 67 -17.355 15.009 -25.346 1.00 53.41 C ATOM 1005 O SER A 67 -16.462 14.332 -25.862 1.00 22.22 O ATOM 1006 CB SER A 67 -19.328 14.706 -23.789 1.00 60.21 C ATOM 1007 OG SER A 67 -19.729 14.376 -22.469 1.00 72.44 O ATOM 0 H SER A 67 -16.594 15.384 -22.317 1.00 62.31 H new ATOM 0 HA SER A 67 -17.430 13.765 -23.601 1.00 54.23 H new ATOM 0 HB2 SER A 67 -19.742 15.675 -24.067 1.00 60.21 H new ATOM 0 HB3 SER A 67 -19.731 13.974 -24.489 1.00 60.21 H new ATOM 0 HG SER A 67 -20.708 14.359 -22.419 1.00 72.44 H new ATOM 1013 N LEU A 68 -17.961 16.013 -25.981 1.00 64.11 N ATOM 1014 CA LEU A 68 -17.505 16.482 -27.281 1.00 43.11 C ATOM 1015 C LEU A 68 -16.137 17.139 -27.112 1.00 71.30 C ATOM 1016 O LEU A 68 -16.016 18.203 -26.494 1.00 53.54 O ATOM 1017 CB LEU A 68 -18.509 17.477 -27.898 1.00 3.52 C ATOM 1018 CG LEU A 68 -19.841 16.878 -28.400 1.00 74.14 C ATOM 1019 CD1 LEU A 68 -19.591 15.793 -29.446 1.00 65.05 C ATOM 1020 CD2 LEU A 68 -20.679 16.336 -27.241 1.00 63.42 C ATOM 0 H LEU A 68 -18.769 16.515 -25.612 1.00 64.11 H new ATOM 0 HA LEU A 68 -17.428 15.634 -27.961 1.00 43.11 H new ATOM 0 HB2 LEU A 68 -18.736 18.241 -27.154 1.00 3.52 H new ATOM 0 HB3 LEU A 68 -18.023 17.980 -28.734 1.00 3.52 H new ATOM 0 HG LEU A 68 -20.408 17.680 -28.872 1.00 74.14 H new ATOM 0 HD11 LEU A 68 -20.544 15.387 -29.784 1.00 65.05 H new ATOM 0 HD12 LEU A 68 -19.058 16.222 -30.295 1.00 65.05 H new ATOM 0 HD13 LEU A 68 -18.992 14.995 -29.007 1.00 65.05 H new ATOM 0 HD21 LEU A 68 -21.610 15.921 -27.628 1.00 63.42 H new ATOM 0 HD22 LEU A 68 -20.122 15.555 -26.723 1.00 63.42 H new ATOM 0 HD23 LEU A 68 -20.903 17.144 -26.545 1.00 63.42 H new ATOM 1032 N ARG A 69 -15.109 16.484 -27.639 1.00 72.54 N ATOM 1033 CA ARG A 69 -13.733 16.944 -27.478 1.00 51.11 C ATOM 1034 C ARG A 69 -13.554 18.322 -28.116 1.00 31.31 C ATOM 1035 O ARG A 69 -12.823 19.174 -27.595 1.00 25.43 O ATOM 1036 CB ARG A 69 -12.771 15.905 -28.074 1.00 23.24 C ATOM 1037 CG ARG A 69 -12.857 14.549 -27.366 1.00 3.32 C ATOM 1038 CD ARG A 69 -12.103 13.447 -28.101 1.00 63.15 C ATOM 1039 NE ARG A 69 -12.144 12.178 -27.354 1.00 63.40 N ATOM 1040 CZ ARG A 69 -12.541 11.001 -27.861 1.00 21.44 C ATOM 1041 NH1 ARG A 69 -12.968 10.918 -29.114 1.00 44.15 N ATOM 1042 NH2 ARG A 69 -12.522 9.909 -27.102 1.00 11.13 N ATOM 0 H ARG A 69 -15.203 15.627 -28.185 1.00 72.54 H new ATOM 0 HA ARG A 69 -13.502 17.048 -26.418 1.00 51.11 H new ATOM 0 HB2 ARG A 69 -12.995 15.773 -29.133 1.00 23.24 H new ATOM 0 HB3 ARG A 69 -11.750 16.281 -28.009 1.00 23.24 H new ATOM 0 HG2 ARG A 69 -12.456 14.646 -26.357 1.00 3.32 H new ATOM 0 HG3 ARG A 69 -13.904 14.262 -27.267 1.00 3.32 H new ATOM 0 HD2 ARG A 69 -12.538 13.303 -29.090 1.00 63.15 H new ATOM 0 HD3 ARG A 69 -11.067 13.750 -28.250 1.00 63.15 H new ATOM 0 HE ARG A 69 -11.848 12.195 -26.378 1.00 63.40 H new ATOM 0 HH11 ARG A 69 -12.996 11.753 -29.700 1.00 44.15 H new ATOM 0 HH12 ARG A 69 -13.268 10.019 -29.492 1.00 44.15 H new ATOM 0 HH21 ARG A 69 -12.206 9.966 -26.134 1.00 11.13 H new ATOM 0 HH22 ARG A 69 -12.824 9.014 -27.488 1.00 11.13 H new ATOM 1056 N ASP A 70 -14.250 18.542 -29.227 1.00 3.11 N ATOM 1057 CA ASP A 70 -14.334 19.861 -29.843 1.00 55.45 C ATOM 1058 C ASP A 70 -15.800 20.227 -30.047 1.00 61.12 C ATOM 1059 O ASP A 70 -16.669 19.356 -30.026 1.00 62.15 O ATOM 1060 CB ASP A 70 -13.577 19.916 -31.185 1.00 35.03 C ATOM 1061 CG ASP A 70 -14.303 19.210 -32.326 1.00 22.05 C ATOM 1062 OD1 ASP A 70 -15.184 19.834 -32.955 1.00 72.12 O ATOM 1063 OD2 ASP A 70 -13.974 18.041 -32.619 1.00 32.01 O ATOM 0 H ASP A 70 -14.768 17.816 -29.722 1.00 3.11 H new ATOM 0 HA ASP A 70 -13.861 20.582 -29.176 1.00 55.45 H new ATOM 0 HB2 ASP A 70 -13.415 20.959 -31.459 1.00 35.03 H new ATOM 0 HB3 ASP A 70 -12.594 19.464 -31.056 1.00 35.03 H new ATOM 1068 N LYS A 71 -16.073 21.513 -30.221 1.00 32.23 N ATOM 1069 CA LYS A 71 -17.430 21.996 -30.443 1.00 5.13 C ATOM 1070 C LYS A 71 -17.552 22.592 -31.844 1.00 53.24 C ATOM 1071 O LYS A 71 -17.932 23.754 -32.012 1.00 70.21 O ATOM 1072 CB LYS A 71 -17.793 23.039 -29.372 1.00 1.23 C ATOM 1073 CG LYS A 71 -17.992 22.455 -27.975 1.00 12.31 C ATOM 1074 CD LYS A 71 -18.256 23.545 -26.934 1.00 64.40 C ATOM 1075 CE LYS A 71 -19.484 24.390 -27.270 1.00 71.42 C ATOM 1076 NZ LYS A 71 -20.735 23.584 -27.297 1.00 55.15 N ATOM 0 H LYS A 71 -15.365 22.247 -30.212 1.00 32.23 H new ATOM 0 HA LYS A 71 -18.127 21.161 -30.365 1.00 5.13 H new ATOM 0 HB2 LYS A 71 -17.005 23.791 -29.331 1.00 1.23 H new ATOM 0 HB3 LYS A 71 -18.707 23.551 -29.674 1.00 1.23 H new ATOM 0 HG2 LYS A 71 -18.828 21.756 -27.989 1.00 12.31 H new ATOM 0 HG3 LYS A 71 -17.107 21.887 -27.689 1.00 12.31 H new ATOM 0 HD2 LYS A 71 -18.393 23.083 -25.956 1.00 64.40 H new ATOM 0 HD3 LYS A 71 -17.382 24.193 -26.861 1.00 64.40 H new ATOM 0 HE2 LYS A 71 -19.585 25.188 -26.535 1.00 71.42 H new ATOM 0 HE3 LYS A 71 -19.340 24.866 -28.240 1.00 71.42 H new ATOM 0 HZ1 LYS A 71 -21.548 24.211 -27.462 1.00 55.15 H new ATOM 0 HZ2 LYS A 71 -20.679 22.881 -28.062 1.00 55.15 H new ATOM 0 HZ3 LYS A 71 -20.853 23.096 -26.386 1.00 55.15 H new ATOM 1090 N LEU A 72 -17.196 21.800 -32.849 1.00 31.23 N ATOM 1091 CA LEU A 72 -17.262 22.240 -34.241 1.00 75.41 C ATOM 1092 C LEU A 72 -17.802 21.123 -35.137 1.00 62.01 C ATOM 1093 O LEU A 72 -18.538 21.382 -36.096 1.00 24.31 O ATOM 1094 CB LEU A 72 -15.870 22.684 -34.718 1.00 44.43 C ATOM 1095 CG LEU A 72 -15.819 23.278 -36.133 1.00 35.43 C ATOM 1096 CD1 LEU A 72 -16.682 24.534 -36.222 1.00 41.32 C ATOM 1097 CD2 LEU A 72 -14.378 23.577 -36.549 1.00 22.35 C ATOM 0 H LEU A 72 -16.857 20.846 -32.727 1.00 31.23 H new ATOM 0 HA LEU A 72 -17.945 23.087 -34.306 1.00 75.41 H new ATOM 0 HB2 LEU A 72 -15.483 23.424 -34.017 1.00 44.43 H new ATOM 0 HB3 LEU A 72 -15.200 21.826 -34.678 1.00 44.43 H new ATOM 0 HG LEU A 72 -16.221 22.539 -36.825 1.00 35.43 H new ATOM 0 HD11 LEU A 72 -16.632 24.939 -37.233 1.00 41.32 H new ATOM 0 HD12 LEU A 72 -17.715 24.283 -35.982 1.00 41.32 H new ATOM 0 HD13 LEU A 72 -16.316 25.278 -35.514 1.00 41.32 H new ATOM 0 HD21 LEU A 72 -14.369 23.997 -37.555 1.00 22.35 H new ATOM 0 HD22 LEU A 72 -13.939 24.292 -35.853 1.00 22.35 H new ATOM 0 HD23 LEU A 72 -13.797 22.655 -36.536 1.00 22.35 H new ATOM 1109 N ALA A 73 -17.434 19.885 -34.819 1.00 21.05 N ATOM 1110 CA ALA A 73 -17.886 18.725 -35.583 1.00 32.42 C ATOM 1111 C ALA A 73 -19.375 18.461 -35.362 1.00 24.44 C ATOM 1112 O ALA A 73 -19.769 17.787 -34.406 1.00 3.22 O ATOM 1113 CB ALA A 73 -17.064 17.493 -35.221 1.00 13.24 C ATOM 0 H ALA A 73 -16.822 19.658 -34.035 1.00 21.05 H new ATOM 0 HA ALA A 73 -17.739 18.943 -36.641 1.00 32.42 H new ATOM 0 HB1 ALA A 73 -17.415 16.639 -35.800 1.00 13.24 H new ATOM 0 HB2 ALA A 73 -16.014 17.677 -35.446 1.00 13.24 H new ATOM 0 HB3 ALA A 73 -17.175 17.281 -34.158 1.00 13.24 H new ATOM 1119 N THR A 74 -20.199 19.024 -36.240 1.00 10.11 N ATOM 1120 CA THR A 74 -21.641 18.819 -36.188 1.00 74.24 C ATOM 1121 C THR A 74 -22.001 17.443 -36.756 1.00 61.13 C ATOM 1122 O THR A 74 -22.085 17.267 -37.975 1.00 15.44 O ATOM 1123 CB THR A 74 -22.395 19.922 -36.975 1.00 41.53 C ATOM 1124 OG1 THR A 74 -21.901 19.984 -38.325 1.00 14.22 O ATOM 1125 CG2 THR A 74 -22.232 21.283 -36.301 1.00 11.04 C ATOM 0 H THR A 74 -19.889 19.629 -37.000 1.00 10.11 H new ATOM 0 HA THR A 74 -21.947 18.872 -35.143 1.00 74.24 H new ATOM 0 HB THR A 74 -23.455 19.670 -36.987 1.00 41.53 H new ATOM 0 HG1 THR A 74 -21.790 19.075 -38.675 1.00 14.22 H new ATOM 0 HG21 THR A 74 -22.770 22.039 -36.873 1.00 11.04 H new ATOM 0 HG22 THR A 74 -22.635 21.238 -35.289 1.00 11.04 H new ATOM 0 HG23 THR A 74 -21.175 21.544 -36.260 1.00 11.04 H new ATOM 1133 N GLY A 75 -22.172 16.466 -35.874 1.00 52.32 N ATOM 1134 CA GLY A 75 -22.499 15.118 -36.302 1.00 72.52 C ATOM 1135 C GLY A 75 -23.247 14.349 -35.235 1.00 42.43 C ATOM 1136 O GLY A 75 -23.610 14.914 -34.198 1.00 43.23 O ATOM 0 H GLY A 75 -22.090 16.584 -34.864 1.00 52.32 H new ATOM 0 HA2 GLY A 75 -23.104 15.162 -37.208 1.00 72.52 H new ATOM 0 HA3 GLY A 75 -21.582 14.586 -36.556 1.00 72.52 H new ATOM 1140 N ARG A 76 -23.477 13.061 -35.485 1.00 35.04 N ATOM 1141 CA ARG A 76 -24.196 12.202 -34.547 1.00 4.50 C ATOM 1142 C ARG A 76 -23.351 11.941 -33.301 1.00 12.31 C ATOM 1143 O ARG A 76 -22.648 10.929 -33.216 1.00 73.20 O ATOM 1144 CB ARG A 76 -24.580 10.866 -35.208 1.00 60.21 C ATOM 1145 CG ARG A 76 -25.575 10.045 -34.390 1.00 70.14 C ATOM 1146 CD ARG A 76 -25.696 8.612 -34.903 1.00 54.54 C ATOM 1147 NE ARG A 76 -24.534 7.793 -34.536 1.00 2.04 N ATOM 1148 CZ ARG A 76 -24.235 6.616 -35.093 1.00 41.13 C ATOM 1149 NH1 ARG A 76 -24.973 6.134 -36.085 1.00 34.14 N ATOM 1150 NH2 ARG A 76 -23.193 5.923 -34.653 1.00 60.43 N ATOM 0 H ARG A 76 -23.173 12.587 -36.336 1.00 35.04 H new ATOM 0 HA ARG A 76 -25.109 12.719 -34.253 1.00 4.50 H new ATOM 0 HB2 ARG A 76 -25.007 11.066 -36.191 1.00 60.21 H new ATOM 0 HB3 ARG A 76 -23.678 10.276 -35.367 1.00 60.21 H new ATOM 0 HG2 ARG A 76 -25.261 10.031 -33.346 1.00 70.14 H new ATOM 0 HG3 ARG A 76 -26.553 10.525 -34.422 1.00 70.14 H new ATOM 0 HD2 ARG A 76 -26.601 8.158 -34.499 1.00 54.54 H new ATOM 0 HD3 ARG A 76 -25.802 8.624 -35.988 1.00 54.54 H new ATOM 0 HE ARG A 76 -23.914 8.146 -33.807 1.00 2.04 H new ATOM 0 HH11 ARG A 76 -25.775 6.663 -36.428 1.00 34.14 H new ATOM 0 HH12 ARG A 76 -24.738 5.235 -36.505 1.00 34.14 H new ATOM 0 HH21 ARG A 76 -22.622 6.289 -33.891 1.00 60.43 H new ATOM 0 HH22 ARG A 76 -22.963 5.024 -35.077 1.00 60.43 H new ATOM 1164 N GLY A 77 -23.390 12.877 -32.361 1.00 43.11 N ATOM 1165 CA GLY A 77 -22.679 12.709 -31.107 1.00 54.42 C ATOM 1166 C GLY A 77 -23.394 11.736 -30.188 1.00 15.24 C ATOM 1167 O GLY A 77 -22.806 10.750 -29.735 1.00 61.11 O ATOM 0 H GLY A 77 -23.904 13.754 -32.445 1.00 43.11 H new ATOM 0 HA2 GLY A 77 -21.670 12.349 -31.305 1.00 54.42 H new ATOM 0 HA3 GLY A 77 -22.581 13.675 -30.611 1.00 54.42 H new ATOM 1171 N PHE A 78 -24.667 12.035 -29.914 1.00 22.23 N ATOM 1172 CA PHE A 78 -25.546 11.187 -29.100 1.00 73.44 C ATOM 1173 C PHE A 78 -25.185 11.234 -27.606 1.00 12.01 C ATOM 1174 O PHE A 78 -26.071 11.240 -26.750 1.00 2.23 O ATOM 1175 CB PHE A 78 -25.529 9.738 -29.616 1.00 60.31 C ATOM 1176 CG PHE A 78 -26.539 8.841 -28.945 1.00 23.21 C ATOM 1177 CD1 PHE A 78 -27.862 8.836 -29.363 1.00 23.21 C ATOM 1178 CD2 PHE A 78 -26.171 8.013 -27.893 1.00 25.02 C ATOM 1179 CE1 PHE A 78 -28.794 8.022 -28.752 1.00 21.11 C ATOM 1180 CE2 PHE A 78 -27.102 7.197 -27.279 1.00 31.41 C ATOM 1181 CZ PHE A 78 -28.413 7.203 -27.709 1.00 42.13 C ATOM 0 H PHE A 78 -25.122 12.882 -30.254 1.00 22.23 H new ATOM 0 HA PHE A 78 -26.556 11.586 -29.197 1.00 73.44 H new ATOM 0 HB2 PHE A 78 -25.717 9.742 -30.690 1.00 60.31 H new ATOM 0 HB3 PHE A 78 -24.533 9.321 -29.469 1.00 60.31 H new ATOM 0 HD1 PHE A 78 -28.166 9.477 -30.177 1.00 23.21 H new ATOM 0 HD2 PHE A 78 -25.147 8.007 -27.551 1.00 25.02 H new ATOM 0 HE1 PHE A 78 -29.820 8.026 -29.090 1.00 21.11 H new ATOM 0 HE2 PHE A 78 -26.804 6.555 -26.463 1.00 31.41 H new ATOM 0 HZ PHE A 78 -29.141 6.566 -27.229 1.00 42.13 H new ATOM 1191 N ASP A 79 -23.892 11.281 -27.303 1.00 52.44 N ATOM 1192 CA ASP A 79 -23.405 11.274 -25.925 1.00 4.14 C ATOM 1193 C ASP A 79 -23.697 12.604 -25.240 1.00 34.43 C ATOM 1194 O ASP A 79 -22.859 13.505 -25.177 1.00 22.44 O ATOM 1195 CB ASP A 79 -21.907 10.958 -25.883 1.00 50.33 C ATOM 1196 CG ASP A 79 -21.318 11.012 -24.477 1.00 31.15 C ATOM 1197 OD1 ASP A 79 -21.866 10.351 -23.568 1.00 63.52 O ATOM 1198 OD2 ASP A 79 -20.295 11.699 -24.279 1.00 74.11 O ATOM 0 H ASP A 79 -23.152 11.325 -28.003 1.00 52.44 H new ATOM 0 HA ASP A 79 -23.934 10.491 -25.381 1.00 4.14 H new ATOM 0 HB2 ASP A 79 -21.740 9.965 -26.301 1.00 50.33 H new ATOM 0 HB3 ASP A 79 -21.376 11.666 -26.519 1.00 50.33 H new ATOM 1203 N GLN A 80 -24.929 12.721 -24.794 1.00 32.33 N ATOM 1204 CA GLN A 80 -25.388 13.857 -24.001 1.00 51.35 C ATOM 1205 C GLN A 80 -25.691 13.401 -22.574 1.00 60.12 C ATOM 1206 O GLN A 80 -24.917 13.742 -21.655 1.00 14.05 O ATOM 1207 CB GLN A 80 -26.636 14.494 -24.640 1.00 42.55 C ATOM 1208 CG GLN A 80 -26.359 15.242 -25.943 1.00 4.25 C ATOM 1209 CD GLN A 80 -25.600 16.548 -25.739 1.00 22.13 C ATOM 1210 OE1 GLN A 80 -24.825 16.701 -24.794 1.00 60.13 O ATOM 1211 NE2 GLN A 80 -25.822 17.501 -26.629 1.00 63.52 N ATOM 1212 OXT GLN A 80 -26.685 12.666 -22.385 1.00 0.00 O ATOM 0 H GLN A 80 -25.654 12.025 -24.970 1.00 32.33 H new ATOM 0 HA GLN A 80 -24.600 14.610 -23.973 1.00 51.35 H new ATOM 0 HB2 GLN A 80 -27.371 13.713 -24.832 1.00 42.55 H new ATOM 0 HB3 GLN A 80 -27.084 15.185 -23.926 1.00 42.55 H new ATOM 0 HG2 GLN A 80 -25.786 14.597 -26.609 1.00 4.25 H new ATOM 0 HG3 GLN A 80 -27.305 15.454 -26.441 1.00 4.25 H new ATOM 0 HE21 GLN A 80 -26.471 17.339 -27.399 1.00 63.52 H new ATOM 0 HE22 GLN A 80 -25.344 18.398 -26.545 1.00 63.52 H new TER 1221 GLN A 80