USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 706 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 67 GLN : amide:sc= -8.17! C(o=-16!,f=-22!) USER MOD Set 1.2: A 75 HIS : no HE2:sc= -7.56! C(o=-16!,f=-28!) USER MOD Single : A 1 MET CE :methyl 161:sc= -0.81 (180deg=-2.12) USER MOD Single : A 1 MET N :NH3+ -157:sc= -4.4! (180deg=-5.93!) USER MOD Single : A 3 LYS NZ :NH3+ -121:sc= 0.206 (180deg=-0.274) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= -1.71! USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.286 K(o=-0.29,f=-1.9) USER MOD Single : A 12 HIS : no HD1:sc= -0.0888 X(o=-0.089,f=-0.16) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot -153:sc= 0.693 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 110:sc= 0.293 USER MOD Single : A 19 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.021) USER MOD Single : A 21 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0358) USER MOD Single : A 25 THR OG1 : rot 77:sc= 0.74 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -4.61 X(o=-4.6,f=-4.7!) USER MOD Single : A 35 ASN :FLIP amide:sc= -0.0532 F(o=-0.88,f=-0.053) USER MOD Single : A 37 MET CE :methyl -119:sc= -0.297 (180deg=-3.69!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.496 USER MOD Single : A 60 GLN : amide:sc= -0.541 K(o=-0.54,f=-1.3) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 33:sc= 1.25 USER MOD Single : A 81 GLN : amide:sc= -0.0169 X(o=-0.017,f=-0.017) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.886 -3.793 11.721 1.00 0.00 N ATOM 2 CA MET A 1 2.680 -3.721 10.852 1.00 0.00 C ATOM 3 C MET A 1 2.860 -2.771 9.685 1.00 0.00 C ATOM 4 O MET A 1 2.856 -1.553 9.850 1.00 0.00 O ATOM 5 CB MET A 1 1.498 -3.271 11.699 1.00 0.00 C ATOM 6 CG MET A 1 0.149 -3.442 11.026 1.00 0.00 C ATOM 7 SD MET A 1 -1.218 -3.010 12.120 1.00 0.00 S ATOM 8 CE MET A 1 -0.702 -1.390 12.682 1.00 0.00 C ATOM 0 H1 MET A 1 3.884 -4.692 12.244 1.00 0.00 H new ATOM 0 H2 MET A 1 4.742 -3.737 11.133 1.00 0.00 H new ATOM 0 H3 MET A 1 3.876 -3.001 12.394 1.00 0.00 H new ATOM 0 HA MET A 1 2.507 -4.712 10.432 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.499 -3.834 12.633 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.631 -2.221 11.959 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.109 -2.818 10.133 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.037 -4.475 10.698 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.562 -0.852 13.081 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.052 -1.498 13.462 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.281 -0.832 11.846 1.00 0.00 H new ATOM 20 N PHE A 2 2.984 -3.337 8.498 1.00 0.00 N ATOM 21 CA PHE A 2 3.138 -2.540 7.296 1.00 0.00 C ATOM 22 C PHE A 2 1.790 -2.011 6.835 1.00 0.00 C ATOM 23 O PHE A 2 0.769 -2.686 6.959 1.00 0.00 O ATOM 24 CB PHE A 2 3.794 -3.370 6.198 1.00 0.00 C ATOM 25 CG PHE A 2 5.208 -3.753 6.523 1.00 0.00 C ATOM 26 CD1 PHE A 2 5.476 -4.889 7.267 1.00 0.00 C ATOM 27 CD2 PHE A 2 6.265 -2.970 6.096 1.00 0.00 C ATOM 28 CE1 PHE A 2 6.775 -5.241 7.576 1.00 0.00 C ATOM 29 CE2 PHE A 2 7.567 -3.313 6.403 1.00 0.00 C ATOM 30 CZ PHE A 2 7.823 -4.452 7.144 1.00 0.00 C ATOM 0 H PHE A 2 2.981 -4.345 8.341 1.00 0.00 H new ATOM 0 HA PHE A 2 3.781 -1.688 7.518 1.00 0.00 H new ATOM 0 HB2 PHE A 2 3.207 -4.273 6.032 1.00 0.00 H new ATOM 0 HB3 PHE A 2 3.781 -2.806 5.266 1.00 0.00 H new ATOM 0 HD1 PHE A 2 4.660 -5.507 7.610 1.00 0.00 H new ATOM 0 HD2 PHE A 2 6.070 -2.080 5.516 1.00 0.00 H new ATOM 0 HE1 PHE A 2 6.971 -6.132 8.154 1.00 0.00 H new ATOM 0 HE2 PHE A 2 8.384 -2.693 6.065 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.840 -4.724 7.384 1.00 0.00 H new ATOM 40 N LYS A 3 1.791 -0.794 6.314 1.00 0.00 N ATOM 41 CA LYS A 3 0.567 -0.165 5.843 1.00 0.00 C ATOM 42 C LYS A 3 0.521 -0.167 4.322 1.00 0.00 C ATOM 43 O LYS A 3 1.415 0.364 3.668 1.00 0.00 O ATOM 44 CB LYS A 3 0.482 1.269 6.367 1.00 0.00 C ATOM 45 CG LYS A 3 0.028 1.366 7.813 1.00 0.00 C ATOM 46 CD LYS A 3 1.215 1.408 8.765 1.00 0.00 C ATOM 47 CE LYS A 3 0.926 2.279 9.976 1.00 0.00 C ATOM 48 NZ LYS A 3 2.162 2.912 10.514 1.00 0.00 N ATOM 0 H LYS A 3 2.628 -0.221 6.206 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.284 -0.733 6.218 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.460 1.740 6.270 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.207 1.835 5.740 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.579 2.261 7.946 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.605 0.512 8.055 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.457 0.397 9.092 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.090 1.791 8.240 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.211 3.055 9.703 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.459 1.675 10.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.297 2.624 11.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.981 2.608 9.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.072 3.947 10.464 1.00 0.00 H new ATOM 62 N VAL A 4 -0.515 -0.773 3.756 1.00 0.00 N ATOM 63 CA VAL A 4 -0.643 -0.827 2.306 1.00 0.00 C ATOM 64 C VAL A 4 -1.673 0.167 1.792 1.00 0.00 C ATOM 65 O VAL A 4 -2.829 0.162 2.216 1.00 0.00 O ATOM 66 CB VAL A 4 -1.023 -2.235 1.801 1.00 0.00 C ATOM 67 CG1 VAL A 4 -1.481 -2.185 0.351 1.00 0.00 C ATOM 68 CG2 VAL A 4 0.148 -3.181 1.936 1.00 0.00 C ATOM 0 H VAL A 4 -1.269 -1.228 4.271 1.00 0.00 H new ATOM 0 HA VAL A 4 0.341 -0.566 1.917 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.846 -2.600 2.415 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.743 -3.189 0.017 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.352 -1.535 0.267 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.676 -1.795 -0.272 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.139 -4.169 1.575 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.986 -2.809 1.347 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.442 -3.249 2.983 1.00 0.00 H new ATOM 78 N TYR A 5 -1.246 0.991 0.846 1.00 0.00 N ATOM 79 CA TYR A 5 -2.126 1.970 0.236 1.00 0.00 C ATOM 80 C TYR A 5 -2.561 1.474 -1.134 1.00 0.00 C ATOM 81 O TYR A 5 -1.817 1.585 -2.103 1.00 0.00 O ATOM 82 CB TYR A 5 -1.421 3.323 0.099 1.00 0.00 C ATOM 83 CG TYR A 5 -1.368 4.126 1.380 1.00 0.00 C ATOM 84 CD1 TYR A 5 -1.305 3.500 2.618 1.00 0.00 C ATOM 85 CD2 TYR A 5 -1.387 5.514 1.346 1.00 0.00 C ATOM 86 CE1 TYR A 5 -1.267 4.235 3.787 1.00 0.00 C ATOM 87 CE2 TYR A 5 -1.346 6.254 2.511 1.00 0.00 C ATOM 88 CZ TYR A 5 -1.288 5.611 3.728 1.00 0.00 C ATOM 89 OH TYR A 5 -1.251 6.347 4.890 1.00 0.00 O ATOM 0 H TYR A 5 -0.292 0.999 0.485 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.000 2.102 0.874 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -0.404 3.156 -0.254 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.931 3.910 -0.664 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.285 2.421 2.668 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.435 6.022 0.394 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.221 3.733 4.742 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.359 7.333 2.468 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.272 7.302 4.673 1.00 0.00 H new ATOM 99 N GLY A 6 -3.756 0.911 -1.210 1.00 0.00 N ATOM 100 CA GLY A 6 -4.241 0.397 -2.472 1.00 0.00 C ATOM 101 C GLY A 6 -5.747 0.279 -2.508 1.00 0.00 C ATOM 102 O GLY A 6 -6.459 1.171 -2.048 1.00 0.00 O ATOM 0 H GLY A 6 -4.396 0.801 -0.424 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -3.912 1.052 -3.278 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.798 -0.582 -2.656 1.00 0.00 H new ATOM 106 N TYR A 7 -6.236 -0.818 -3.072 1.00 0.00 N ATOM 107 CA TYR A 7 -7.658 -1.046 -3.185 1.00 0.00 C ATOM 108 C TYR A 7 -8.040 -2.439 -2.708 1.00 0.00 C ATOM 109 O TYR A 7 -7.218 -3.355 -2.707 1.00 0.00 O ATOM 110 CB TYR A 7 -8.070 -0.874 -4.636 1.00 0.00 C ATOM 111 CG TYR A 7 -7.824 0.515 -5.161 1.00 0.00 C ATOM 112 CD1 TYR A 7 -8.668 1.562 -4.822 1.00 0.00 C ATOM 113 CD2 TYR A 7 -6.737 0.783 -5.982 1.00 0.00 C ATOM 114 CE1 TYR A 7 -8.437 2.839 -5.288 1.00 0.00 C ATOM 115 CE2 TYR A 7 -6.500 2.059 -6.454 1.00 0.00 C ATOM 116 CZ TYR A 7 -7.352 3.084 -6.104 1.00 0.00 C ATOM 117 OH TYR A 7 -7.116 4.357 -6.568 1.00 0.00 O ATOM 0 H TYR A 7 -5.658 -1.564 -3.459 1.00 0.00 H new ATOM 0 HA TYR A 7 -8.175 -0.324 -2.553 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.523 -1.590 -5.250 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -9.129 -1.111 -4.737 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -9.519 1.374 -4.184 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.067 -0.018 -6.256 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -9.103 3.644 -5.015 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -5.652 2.252 -7.094 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.312 4.357 -7.128 1.00 0.00 H new ATOM 127 N ASP A 8 -9.301 -2.596 -2.323 1.00 0.00 N ATOM 128 CA ASP A 8 -9.802 -3.884 -1.867 1.00 0.00 C ATOM 129 C ASP A 8 -10.123 -4.763 -3.071 1.00 0.00 C ATOM 130 O ASP A 8 -9.909 -4.354 -4.205 1.00 0.00 O ATOM 131 CB ASP A 8 -11.050 -3.698 -1.004 1.00 0.00 C ATOM 132 CG ASP A 8 -12.131 -2.913 -1.719 1.00 0.00 C ATOM 133 OD1 ASP A 8 -12.059 -2.798 -2.962 1.00 0.00 O ATOM 134 OD2 ASP A 8 -13.050 -2.410 -1.038 1.00 0.00 O ATOM 0 H ASP A 8 -9.994 -1.847 -2.318 1.00 0.00 H new ATOM 0 HA ASP A 8 -9.035 -4.367 -1.262 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -11.441 -4.675 -0.719 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -10.779 -3.183 -0.083 1.00 0.00 H new ATOM 139 N SER A 9 -10.633 -5.962 -2.828 1.00 0.00 N ATOM 140 CA SER A 9 -10.970 -6.874 -3.921 1.00 0.00 C ATOM 141 C SER A 9 -12.422 -6.710 -4.366 1.00 0.00 C ATOM 142 O SER A 9 -12.815 -7.217 -5.417 1.00 0.00 O ATOM 143 CB SER A 9 -10.722 -8.324 -3.498 1.00 0.00 C ATOM 144 OG SER A 9 -9.379 -8.516 -3.097 1.00 0.00 O ATOM 0 H SER A 9 -10.823 -6.327 -1.895 1.00 0.00 H new ATOM 0 HA SER A 9 -10.327 -6.624 -4.765 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.390 -8.586 -2.678 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.956 -8.993 -4.326 1.00 0.00 H new ATOM 0 HG SER A 9 -9.248 -9.450 -2.830 1.00 0.00 H new ATOM 150 N ASN A 10 -13.219 -6.016 -3.557 1.00 0.00 N ATOM 151 CA ASN A 10 -14.631 -5.811 -3.866 1.00 0.00 C ATOM 152 C ASN A 10 -14.860 -4.601 -4.776 1.00 0.00 C ATOM 153 O ASN A 10 -15.680 -4.657 -5.693 1.00 0.00 O ATOM 154 CB ASN A 10 -15.433 -5.653 -2.575 1.00 0.00 C ATOM 155 CG ASN A 10 -15.161 -6.768 -1.582 1.00 0.00 C ATOM 156 OD1 ASN A 10 -14.535 -7.774 -1.917 1.00 0.00 O ATOM 157 ND2 ASN A 10 -15.633 -6.597 -0.352 1.00 0.00 N ATOM 0 H ASN A 10 -12.911 -5.587 -2.684 1.00 0.00 H new ATOM 0 HA ASN A 10 -14.974 -6.693 -4.407 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.191 -4.695 -2.116 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -16.497 -5.633 -2.812 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -15.482 -7.315 0.357 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -16.147 -5.748 -0.116 1.00 0.00 H new ATOM 164 N ILE A 11 -14.154 -3.501 -4.514 1.00 0.00 N ATOM 165 CA ILE A 11 -14.318 -2.285 -5.312 1.00 0.00 C ATOM 166 C ILE A 11 -13.376 -2.251 -6.515 1.00 0.00 C ATOM 167 O ILE A 11 -13.792 -1.919 -7.624 1.00 0.00 O ATOM 168 CB ILE A 11 -14.094 -1.019 -4.464 1.00 0.00 C ATOM 169 CG1 ILE A 11 -14.886 -1.102 -3.161 1.00 0.00 C ATOM 170 CG2 ILE A 11 -14.496 0.220 -5.247 1.00 0.00 C ATOM 171 CD1 ILE A 11 -16.388 -1.126 -3.362 1.00 0.00 C ATOM 0 H ILE A 11 -13.469 -3.426 -3.762 1.00 0.00 H new ATOM 0 HA ILE A 11 -15.346 -2.301 -5.675 1.00 0.00 H new ATOM 0 HB ILE A 11 -13.034 -0.949 -4.221 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -14.586 -2.000 -2.620 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -14.626 -0.250 -2.533 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -14.332 1.107 -4.635 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -13.894 0.289 -6.153 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -15.550 0.155 -5.516 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -16.884 -1.186 -2.393 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -16.701 -0.216 -3.874 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -16.661 -1.993 -3.963 1.00 0.00 H new ATOM 183 N HIS A 12 -12.109 -2.589 -6.298 1.00 0.00 N ATOM 184 CA HIS A 12 -11.130 -2.587 -7.376 1.00 0.00 C ATOM 185 C HIS A 12 -10.209 -3.786 -7.263 1.00 0.00 C ATOM 186 O HIS A 12 -9.458 -3.934 -6.303 1.00 0.00 O ATOM 187 CB HIS A 12 -10.330 -1.298 -7.360 1.00 0.00 C ATOM 188 CG HIS A 12 -9.660 -0.958 -8.656 1.00 0.00 C ATOM 189 ND1 HIS A 12 -10.296 -0.960 -9.875 1.00 0.00 N ATOM 190 CD2 HIS A 12 -8.380 -0.582 -8.902 1.00 0.00 C ATOM 191 CE1 HIS A 12 -9.402 -0.600 -10.807 1.00 0.00 C ATOM 192 NE2 HIS A 12 -8.224 -0.357 -10.269 1.00 0.00 N ATOM 0 H HIS A 12 -11.738 -2.866 -5.389 1.00 0.00 H new ATOM 0 HA HIS A 12 -11.662 -2.653 -8.325 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -10.994 -0.478 -7.084 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.570 -1.368 -6.582 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -7.605 -0.474 -8.157 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -9.619 -0.520 -11.862 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -7.375 -0.065 -10.752 1.00 0.00 H new ATOM 200 N LYS A 13 -10.298 -4.640 -8.255 1.00 0.00 N ATOM 201 CA LYS A 13 -9.506 -5.868 -8.301 1.00 0.00 C ATOM 202 C LYS A 13 -8.011 -5.581 -8.167 1.00 0.00 C ATOM 203 O LYS A 13 -7.522 -4.539 -8.603 1.00 0.00 O ATOM 204 CB LYS A 13 -9.817 -6.671 -9.581 1.00 0.00 C ATOM 205 CG LYS A 13 -8.800 -6.523 -10.705 1.00 0.00 C ATOM 206 CD LYS A 13 -9.002 -5.232 -11.477 1.00 0.00 C ATOM 207 CE LYS A 13 -8.279 -5.276 -12.810 1.00 0.00 C ATOM 208 NZ LYS A 13 -9.143 -5.820 -13.892 1.00 0.00 N ATOM 0 H LYS A 13 -10.917 -4.513 -9.056 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.789 -6.480 -7.444 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.893 -7.726 -9.319 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.794 -6.364 -9.954 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.792 -6.545 -10.290 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.883 -7.371 -11.385 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.067 -5.066 -11.642 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.636 -4.391 -10.888 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.950 -4.272 -13.078 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.383 -5.890 -12.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.612 -5.834 -14.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.436 -6.788 -13.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.985 -5.220 -13.998 1.00 0.00 H new ATOM 222 N CYS A 14 -7.296 -6.521 -7.556 1.00 0.00 N ATOM 223 CA CYS A 14 -5.855 -6.391 -7.352 1.00 0.00 C ATOM 224 C CYS A 14 -5.212 -7.761 -7.144 1.00 0.00 C ATOM 225 O CYS A 14 -5.344 -8.364 -6.079 1.00 0.00 O ATOM 226 CB CYS A 14 -5.562 -5.494 -6.145 1.00 0.00 C ATOM 227 SG CYS A 14 -6.638 -5.787 -4.720 1.00 0.00 S ATOM 0 H CYS A 14 -7.693 -7.387 -7.191 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.429 -5.935 -8.246 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.526 -5.643 -5.840 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.658 -4.452 -6.450 1.00 0.00 H new ATOM 0 HG CYS A 14 -6.733 -4.698 -4.017 1.00 0.00 H new ATOM 233 N VAL A 15 -4.519 -8.250 -8.168 1.00 0.00 N ATOM 234 CA VAL A 15 -3.860 -9.554 -8.101 1.00 0.00 C ATOM 235 C VAL A 15 -2.504 -9.467 -7.403 1.00 0.00 C ATOM 236 O VAL A 15 -2.082 -10.408 -6.729 1.00 0.00 O ATOM 237 CB VAL A 15 -3.659 -10.148 -9.508 1.00 0.00 C ATOM 238 CG1 VAL A 15 -4.982 -10.629 -10.084 1.00 0.00 C ATOM 239 CG2 VAL A 15 -3.010 -9.127 -10.430 1.00 0.00 C ATOM 0 H VAL A 15 -4.398 -7.763 -9.056 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.515 -10.204 -7.521 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.993 -11.007 -9.425 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.816 -11.045 -11.078 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.404 -11.397 -9.435 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.675 -9.791 -10.152 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.876 -9.564 -11.420 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.649 -8.247 -10.506 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.040 -8.837 -10.027 1.00 0.00 H new ATOM 249 N TYR A 16 -1.821 -8.340 -7.577 1.00 0.00 N ATOM 250 CA TYR A 16 -0.508 -8.140 -6.968 1.00 0.00 C ATOM 251 C TYR A 16 -0.613 -8.012 -5.450 1.00 0.00 C ATOM 252 O TYR A 16 0.339 -8.304 -4.726 1.00 0.00 O ATOM 253 CB TYR A 16 0.169 -6.898 -7.555 1.00 0.00 C ATOM 254 CG TYR A 16 1.391 -7.217 -8.383 1.00 0.00 C ATOM 255 CD1 TYR A 16 1.269 -7.726 -9.669 1.00 0.00 C ATOM 256 CD2 TYR A 16 2.668 -7.015 -7.877 1.00 0.00 C ATOM 257 CE1 TYR A 16 2.384 -8.025 -10.427 1.00 0.00 C ATOM 258 CE2 TYR A 16 3.789 -7.309 -8.628 1.00 0.00 C ATOM 259 CZ TYR A 16 3.642 -7.815 -9.902 1.00 0.00 C ATOM 260 OH TYR A 16 4.756 -8.112 -10.652 1.00 0.00 O ATOM 0 H TYR A 16 -2.153 -7.552 -8.133 1.00 0.00 H new ATOM 0 HA TYR A 16 0.100 -9.017 -7.192 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.549 -6.359 -8.173 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.454 -6.230 -6.742 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.285 -7.891 -10.084 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.787 -6.621 -6.878 1.00 0.00 H new ATOM 0 HE1 TYR A 16 2.272 -8.421 -11.425 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.775 -7.144 -8.220 1.00 0.00 H new ATOM 0 HH TYR A 16 5.563 -7.905 -10.136 1.00 0.00 H new ATOM 270 N CYS A 17 -1.773 -7.574 -4.972 1.00 0.00 N ATOM 271 CA CYS A 17 -1.993 -7.415 -3.540 1.00 0.00 C ATOM 272 C CYS A 17 -1.829 -8.749 -2.820 1.00 0.00 C ATOM 273 O CYS A 17 -1.124 -8.842 -1.814 1.00 0.00 O ATOM 274 CB CYS A 17 -3.389 -6.849 -3.277 1.00 0.00 C ATOM 275 SG CYS A 17 -3.730 -6.505 -1.535 1.00 0.00 S ATOM 0 H CYS A 17 -2.573 -7.324 -5.554 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.249 -6.717 -3.155 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.510 -5.929 -3.848 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.132 -7.555 -3.649 1.00 0.00 H new ATOM 0 HG CYS A 17 -3.787 -5.220 -1.350 1.00 0.00 H new ATOM 281 N ASP A 18 -2.482 -9.781 -3.346 1.00 0.00 N ATOM 282 CA ASP A 18 -2.416 -11.116 -2.759 1.00 0.00 C ATOM 283 C ASP A 18 -0.973 -11.597 -2.620 1.00 0.00 C ATOM 284 O ASP A 18 -0.674 -12.453 -1.785 1.00 0.00 O ATOM 285 CB ASP A 18 -3.212 -12.108 -3.609 1.00 0.00 C ATOM 286 CG ASP A 18 -3.757 -13.261 -2.790 1.00 0.00 C ATOM 287 OD1 ASP A 18 -4.790 -13.073 -2.113 1.00 0.00 O ATOM 288 OD2 ASP A 18 -3.151 -14.353 -2.826 1.00 0.00 O ATOM 0 H ASP A 18 -3.065 -9.718 -4.181 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.852 -11.060 -1.762 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.038 -11.587 -4.093 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.573 -12.498 -4.401 1.00 0.00 H new ATOM 293 N ASN A 19 -0.081 -11.053 -3.444 1.00 0.00 N ATOM 294 CA ASN A 19 1.325 -11.440 -3.402 1.00 0.00 C ATOM 295 C ASN A 19 2.019 -10.834 -2.187 1.00 0.00 C ATOM 296 O ASN A 19 2.691 -11.536 -1.431 1.00 0.00 O ATOM 297 CB ASN A 19 2.040 -11.010 -4.685 1.00 0.00 C ATOM 298 CG ASN A 19 1.602 -11.819 -5.891 1.00 0.00 C ATOM 299 OD1 ASN A 19 2.316 -12.714 -6.344 1.00 0.00 O ATOM 300 ND2 ASN A 19 0.424 -11.506 -6.420 1.00 0.00 N ATOM 0 H ASN A 19 -0.306 -10.347 -4.145 1.00 0.00 H new ATOM 0 HA ASN A 19 1.373 -12.526 -3.321 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.845 -9.954 -4.870 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.116 -11.117 -4.551 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.079 -12.015 -7.234 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.135 -10.757 -6.012 1.00 0.00 H new ATOM 307 N ALA A 20 1.851 -9.530 -1.998 1.00 0.00 N ATOM 308 CA ALA A 20 2.463 -8.843 -0.867 1.00 0.00 C ATOM 309 C ALA A 20 1.881 -9.345 0.451 1.00 0.00 C ATOM 310 O ALA A 20 2.607 -9.545 1.424 1.00 0.00 O ATOM 311 CB ALA A 20 2.277 -7.340 -0.994 1.00 0.00 C ATOM 0 H ALA A 20 1.299 -8.930 -2.610 1.00 0.00 H new ATOM 0 HA ALA A 20 3.531 -9.061 -0.872 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.740 -6.843 -0.142 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.745 -6.992 -1.915 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.213 -7.106 -1.017 1.00 0.00 H new ATOM 317 N LYS A 21 0.568 -9.558 0.472 1.00 0.00 N ATOM 318 CA LYS A 21 -0.107 -10.044 1.670 1.00 0.00 C ATOM 319 C LYS A 21 0.431 -11.414 2.062 1.00 0.00 C ATOM 320 O LYS A 21 0.934 -11.599 3.170 1.00 0.00 O ATOM 321 CB LYS A 21 -1.617 -10.121 1.434 1.00 0.00 C ATOM 322 CG LYS A 21 -2.397 -10.625 2.639 1.00 0.00 C ATOM 323 CD LYS A 21 -3.583 -11.478 2.217 1.00 0.00 C ATOM 324 CE LYS A 21 -4.160 -12.252 3.391 1.00 0.00 C ATOM 325 NZ LYS A 21 -4.612 -11.349 4.485 1.00 0.00 N ATOM 0 H LYS A 21 -0.048 -9.402 -0.326 1.00 0.00 H new ATOM 0 HA LYS A 21 0.086 -9.345 2.484 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.985 -9.132 1.162 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.811 -10.778 0.586 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.738 -11.208 3.282 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.748 -9.777 3.227 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.355 -10.841 1.785 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.272 -12.175 1.438 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.000 -12.856 3.049 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.408 -12.940 3.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.090 -11.907 5.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.789 -10.865 4.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.273 -10.643 4.102 1.00 0.00 H new ATOM 339 N ARG A 22 0.337 -12.369 1.141 1.00 0.00 N ATOM 340 CA ARG A 22 0.833 -13.716 1.396 1.00 0.00 C ATOM 341 C ARG A 22 2.335 -13.672 1.643 1.00 0.00 C ATOM 342 O ARG A 22 2.869 -14.430 2.452 1.00 0.00 O ATOM 343 CB ARG A 22 0.511 -14.647 0.222 1.00 0.00 C ATOM 344 CG ARG A 22 1.237 -14.287 -1.064 1.00 0.00 C ATOM 345 CD ARG A 22 2.601 -14.955 -1.141 1.00 0.00 C ATOM 346 NE ARG A 22 2.928 -15.379 -2.500 1.00 0.00 N ATOM 347 CZ ARG A 22 2.453 -16.488 -3.065 1.00 0.00 C ATOM 348 NH1 ARG A 22 1.630 -17.283 -2.394 1.00 0.00 N ATOM 349 NH2 ARG A 22 2.803 -16.801 -4.305 1.00 0.00 N ATOM 0 H ARG A 22 -0.075 -12.236 0.218 1.00 0.00 H new ATOM 0 HA ARG A 22 0.336 -14.109 2.283 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.769 -15.669 0.500 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -0.563 -14.628 0.039 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.634 -14.589 -1.920 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.357 -13.205 -1.125 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.364 -14.263 -0.784 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.619 -15.820 -0.477 1.00 0.00 H new ATOM 0 HE ARG A 22 3.557 -14.792 -3.048 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.357 -17.047 -1.440 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.270 -18.131 -2.832 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.435 -16.193 -4.825 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.440 -17.650 -4.739 1.00 0.00 H new ATOM 363 N LEU A 23 3.003 -12.750 0.956 1.00 0.00 N ATOM 364 CA LEU A 23 4.441 -12.565 1.106 1.00 0.00 C ATOM 365 C LEU A 23 4.777 -12.266 2.563 1.00 0.00 C ATOM 366 O LEU A 23 5.592 -12.953 3.179 1.00 0.00 O ATOM 367 CB LEU A 23 4.911 -11.423 0.190 1.00 0.00 C ATOM 368 CG LEU A 23 6.247 -10.763 0.559 1.00 0.00 C ATOM 369 CD1 LEU A 23 6.048 -9.729 1.656 1.00 0.00 C ATOM 370 CD2 LEU A 23 7.264 -11.804 0.988 1.00 0.00 C ATOM 0 H LEU A 23 2.567 -12.116 0.286 1.00 0.00 H new ATOM 0 HA LEU A 23 4.960 -13.479 0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.989 -11.809 -0.826 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.140 -10.653 0.180 1.00 0.00 H new ATOM 0 HG LEU A 23 6.631 -10.257 -0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.006 -9.272 1.904 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.358 -8.960 1.310 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.637 -10.213 2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.202 -11.312 1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.888 -12.344 1.857 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.434 -12.505 0.171 1.00 0.00 H new ATOM 382 N LEU A 24 4.130 -11.244 3.111 1.00 0.00 N ATOM 383 CA LEU A 24 4.347 -10.859 4.499 1.00 0.00 C ATOM 384 C LEU A 24 4.030 -12.021 5.431 1.00 0.00 C ATOM 385 O LEU A 24 4.813 -12.346 6.324 1.00 0.00 O ATOM 386 CB LEU A 24 3.476 -9.656 4.854 1.00 0.00 C ATOM 387 CG LEU A 24 4.007 -8.312 4.354 1.00 0.00 C ATOM 388 CD1 LEU A 24 2.916 -7.538 3.637 1.00 0.00 C ATOM 389 CD2 LEU A 24 4.568 -7.499 5.509 1.00 0.00 C ATOM 0 H LEU A 24 3.451 -10.667 2.615 1.00 0.00 H new ATOM 0 HA LEU A 24 5.396 -10.588 4.622 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.479 -9.813 4.443 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.370 -9.609 5.938 1.00 0.00 H new ATOM 0 HG LEU A 24 4.812 -8.504 3.644 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.315 -6.585 3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.561 -8.116 2.784 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.088 -7.357 4.322 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.942 -6.546 5.135 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.782 -7.318 6.242 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.383 -8.049 5.979 1.00 0.00 H new ATOM 401 N THR A 25 2.881 -12.655 5.208 1.00 0.00 N ATOM 402 CA THR A 25 2.468 -13.793 6.020 1.00 0.00 C ATOM 403 C THR A 25 3.575 -14.840 6.049 1.00 0.00 C ATOM 404 O THR A 25 3.860 -15.437 7.089 1.00 0.00 O ATOM 405 CB THR A 25 1.180 -14.405 5.465 1.00 0.00 C ATOM 406 OG1 THR A 25 0.203 -13.403 5.244 1.00 0.00 O ATOM 407 CG2 THR A 25 0.570 -15.448 6.375 1.00 0.00 C ATOM 0 H THR A 25 2.222 -12.399 4.473 1.00 0.00 H new ATOM 0 HA THR A 25 2.278 -13.447 7.036 1.00 0.00 H new ATOM 0 HB THR A 25 1.470 -14.887 4.532 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.421 -12.908 4.427 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.340 -15.840 5.920 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.281 -16.261 6.524 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.329 -14.995 7.337 1.00 0.00 H new ATOM 415 N VAL A 26 4.209 -15.036 4.897 1.00 0.00 N ATOM 416 CA VAL A 26 5.303 -15.990 4.770 1.00 0.00 C ATOM 417 C VAL A 26 6.558 -15.456 5.453 1.00 0.00 C ATOM 418 O VAL A 26 7.373 -16.221 5.969 1.00 0.00 O ATOM 419 CB VAL A 26 5.612 -16.277 3.286 1.00 0.00 C ATOM 420 CG1 VAL A 26 6.734 -17.295 3.150 1.00 0.00 C ATOM 421 CG2 VAL A 26 4.361 -16.757 2.566 1.00 0.00 C ATOM 0 H VAL A 26 3.981 -14.543 4.034 1.00 0.00 H new ATOM 0 HA VAL A 26 4.995 -16.917 5.253 1.00 0.00 H new ATOM 0 HB VAL A 26 5.943 -15.348 2.822 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.932 -17.479 2.094 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.635 -16.909 3.626 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.440 -18.227 3.632 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.596 -16.955 1.520 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.999 -17.672 3.036 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.590 -15.989 2.625 1.00 0.00 H new ATOM 431 N LYS A 27 6.701 -14.133 5.452 1.00 0.00 N ATOM 432 CA LYS A 27 7.849 -13.482 6.073 1.00 0.00 C ATOM 433 C LYS A 27 7.691 -13.423 7.593 1.00 0.00 C ATOM 434 O LYS A 27 8.628 -13.067 8.308 1.00 0.00 O ATOM 435 CB LYS A 27 8.018 -12.066 5.512 1.00 0.00 C ATOM 436 CG LYS A 27 9.453 -11.718 5.140 1.00 0.00 C ATOM 437 CD LYS A 27 9.692 -11.854 3.644 1.00 0.00 C ATOM 438 CE LYS A 27 10.789 -12.861 3.341 1.00 0.00 C ATOM 439 NZ LYS A 27 10.466 -13.694 2.149 1.00 0.00 N ATOM 0 H LYS A 27 6.033 -13.490 5.026 1.00 0.00 H new ATOM 0 HA LYS A 27 8.737 -14.070 5.843 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.388 -11.958 4.629 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.660 -11.348 6.250 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.673 -10.697 5.453 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.138 -12.372 5.680 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.769 -12.163 3.154 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.964 -10.883 3.229 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.728 -12.334 3.172 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.937 -13.507 4.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.239 -14.368 1.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.583 -14.217 2.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.350 -13.080 1.318 1.00 0.00 H new ATOM 453 N LYS A 28 6.498 -13.765 8.081 1.00 0.00 N ATOM 454 CA LYS A 28 6.216 -13.742 9.515 1.00 0.00 C ATOM 455 C LYS A 28 6.129 -12.306 10.021 1.00 0.00 C ATOM 456 O LYS A 28 6.564 -11.996 11.131 1.00 0.00 O ATOM 457 CB LYS A 28 7.285 -14.519 10.293 1.00 0.00 C ATOM 458 CG LYS A 28 6.769 -15.804 10.919 1.00 0.00 C ATOM 459 CD LYS A 28 5.609 -15.537 11.865 1.00 0.00 C ATOM 460 CE LYS A 28 4.525 -16.592 11.729 1.00 0.00 C ATOM 461 NZ LYS A 28 3.168 -16.027 11.967 1.00 0.00 N ATOM 0 H LYS A 28 5.712 -14.061 7.503 1.00 0.00 H new ATOM 0 HA LYS A 28 5.253 -14.226 9.679 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.110 -14.758 9.621 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.688 -13.879 11.078 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.449 -16.489 10.134 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.577 -16.295 11.462 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.973 -15.518 12.892 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.188 -14.553 11.658 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.567 -17.029 10.731 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.712 -17.398 12.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.456 -16.778 11.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.120 -15.633 12.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.979 -15.275 11.274 1.00 0.00 H new ATOM 475 N GLN A 29 5.562 -11.433 9.196 1.00 0.00 N ATOM 476 CA GLN A 29 5.416 -10.027 9.552 1.00 0.00 C ATOM 477 C GLN A 29 3.955 -9.592 9.476 1.00 0.00 C ATOM 478 O GLN A 29 3.269 -9.873 8.493 1.00 0.00 O ATOM 479 CB GLN A 29 6.264 -9.154 8.621 1.00 0.00 C ATOM 480 CG GLN A 29 7.695 -8.966 9.098 1.00 0.00 C ATOM 481 CD GLN A 29 8.491 -10.256 9.087 1.00 0.00 C ATOM 482 OE1 GLN A 29 8.551 -10.971 10.087 1.00 0.00 O ATOM 483 NE2 GLN A 29 9.108 -10.563 7.951 1.00 0.00 N ATOM 0 H GLN A 29 5.196 -11.675 8.275 1.00 0.00 H new ATOM 0 HA GLN A 29 5.762 -9.902 10.578 1.00 0.00 H new ATOM 0 HB2 GLN A 29 6.277 -9.603 7.628 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.791 -8.177 8.523 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.192 -8.232 8.463 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.686 -8.558 10.109 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.032 -9.942 7.145 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.658 -11.420 7.885 1.00 0.00 H new ATOM 492 N PRO A 30 3.460 -8.884 10.507 1.00 0.00 N ATOM 493 CA PRO A 30 2.081 -8.399 10.538 1.00 0.00 C ATOM 494 C PRO A 30 1.934 -7.107 9.750 1.00 0.00 C ATOM 495 O PRO A 30 2.916 -6.401 9.536 1.00 0.00 O ATOM 496 CB PRO A 30 1.860 -8.135 12.022 1.00 0.00 C ATOM 497 CG PRO A 30 3.192 -7.666 12.490 1.00 0.00 C ATOM 498 CD PRO A 30 4.202 -8.482 11.722 1.00 0.00 C ATOM 0 HA PRO A 30 1.371 -9.099 10.098 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.089 -7.383 12.186 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.543 -9.036 12.548 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.322 -6.601 12.299 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.304 -7.813 13.564 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.089 -7.898 11.477 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.538 -9.347 12.293 1.00 0.00 H new ATOM 506 N PHE A 31 0.718 -6.797 9.318 1.00 0.00 N ATOM 507 CA PHE A 31 0.484 -5.577 8.553 1.00 0.00 C ATOM 508 C PHE A 31 -0.993 -5.188 8.545 1.00 0.00 C ATOM 509 O PHE A 31 -1.849 -5.954 8.989 1.00 0.00 O ATOM 510 CB PHE A 31 0.975 -5.748 7.130 1.00 0.00 C ATOM 511 CG PHE A 31 0.381 -6.946 6.469 1.00 0.00 C ATOM 512 CD1 PHE A 31 0.792 -8.211 6.838 1.00 0.00 C ATOM 513 CD2 PHE A 31 -0.597 -6.814 5.501 1.00 0.00 C ATOM 514 CE1 PHE A 31 0.241 -9.330 6.254 1.00 0.00 C ATOM 515 CE2 PHE A 31 -1.153 -7.928 4.908 1.00 0.00 C ATOM 516 CZ PHE A 31 -0.736 -9.192 5.285 1.00 0.00 C ATOM 0 H PHE A 31 -0.113 -7.365 9.481 1.00 0.00 H new ATOM 0 HA PHE A 31 1.041 -4.775 9.038 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.728 -4.857 6.553 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.061 -5.837 7.131 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.555 -8.325 7.594 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.929 -5.829 5.206 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.571 -10.314 6.552 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.914 -7.814 4.150 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.171 -10.067 4.825 1.00 0.00 H new ATOM 526 N GLU A 32 -1.284 -3.997 8.021 1.00 0.00 N ATOM 527 CA GLU A 32 -2.657 -3.511 7.941 1.00 0.00 C ATOM 528 C GLU A 32 -2.924 -2.863 6.588 1.00 0.00 C ATOM 529 O GLU A 32 -2.093 -2.117 6.071 1.00 0.00 O ATOM 530 CB GLU A 32 -2.935 -2.505 9.058 1.00 0.00 C ATOM 531 CG GLU A 32 -2.092 -1.244 8.967 1.00 0.00 C ATOM 532 CD GLU A 32 -2.449 -0.226 10.032 1.00 0.00 C ATOM 533 OE1 GLU A 32 -2.985 -0.632 11.085 1.00 0.00 O ATOM 534 OE2 GLU A 32 -2.190 0.976 9.815 1.00 0.00 O ATOM 0 H GLU A 32 -0.587 -3.354 7.647 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.323 -4.366 8.058 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.989 -2.229 9.033 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.754 -2.984 10.020 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.039 -1.508 9.061 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.222 -0.795 7.982 1.00 0.00 H new ATOM 541 N PHE A 33 -4.087 -3.156 6.018 1.00 0.00 N ATOM 542 CA PHE A 33 -4.465 -2.610 4.727 1.00 0.00 C ATOM 543 C PHE A 33 -5.193 -1.279 4.883 1.00 0.00 C ATOM 544 O PHE A 33 -5.752 -0.983 5.940 1.00 0.00 O ATOM 545 CB PHE A 33 -5.362 -3.600 3.987 1.00 0.00 C ATOM 546 CG PHE A 33 -5.351 -3.403 2.505 1.00 0.00 C ATOM 547 CD1 PHE A 33 -4.226 -3.717 1.770 1.00 0.00 C ATOM 548 CD2 PHE A 33 -6.460 -2.895 1.851 1.00 0.00 C ATOM 549 CE1 PHE A 33 -4.202 -3.529 0.401 1.00 0.00 C ATOM 550 CE2 PHE A 33 -6.446 -2.705 0.483 1.00 0.00 C ATOM 551 CZ PHE A 33 -5.314 -3.023 -0.243 1.00 0.00 C ATOM 0 H PHE A 33 -4.785 -3.772 6.435 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.554 -2.438 4.153 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -5.039 -4.616 4.215 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.384 -3.501 4.354 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.355 -4.114 2.270 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.346 -2.645 2.416 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.316 -3.777 -0.164 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.317 -2.309 -0.018 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.299 -2.876 -1.313 1.00 0.00 H new ATOM 561 N ILE A 34 -5.191 -0.487 3.816 1.00 0.00 N ATOM 562 CA ILE A 34 -5.859 0.807 3.813 1.00 0.00 C ATOM 563 C ILE A 34 -6.397 1.120 2.428 1.00 0.00 C ATOM 564 O ILE A 34 -5.655 1.147 1.446 1.00 0.00 O ATOM 565 CB ILE A 34 -4.930 1.948 4.263 1.00 0.00 C ATOM 566 CG1 ILE A 34 -4.132 1.526 5.495 1.00 0.00 C ATOM 567 CG2 ILE A 34 -5.740 3.203 4.556 1.00 0.00 C ATOM 568 CD1 ILE A 34 -3.038 2.498 5.869 1.00 0.00 C ATOM 0 H ILE A 34 -4.730 -0.722 2.937 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.679 0.739 4.528 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.230 2.169 3.457 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.813 1.416 6.339 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.690 0.547 5.313 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.070 4.002 4.873 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.272 3.511 3.656 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.459 2.995 5.349 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.514 2.133 6.752 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.334 2.590 5.042 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.475 3.473 6.083 1.00 0.00 H new ATOM 580 N ASN A 35 -7.695 1.343 2.363 1.00 0.00 N ATOM 581 CA ASN A 35 -8.363 1.645 1.104 1.00 0.00 C ATOM 582 C ASN A 35 -8.448 3.147 0.873 1.00 0.00 C ATOM 583 O ASN A 35 -8.931 3.893 1.726 1.00 0.00 O ATOM 584 CB ASN A 35 -9.767 1.035 1.090 1.00 0.00 C ATOM 585 CG ASN A 35 -9.778 -0.404 1.571 1.00 0.00 C ATOM 586 OD1 ASN A 35 -9.290 -1.312 0.734 1.00 0.00 O flip ATOM 587 ND2 ASN A 35 -10.221 -0.696 2.681 1.00 0.00 N flip ATOM 0 H ASN A 35 -8.316 1.321 3.172 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.773 1.208 0.298 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.425 1.631 1.722 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -10.170 1.080 0.078 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.587 0.034 3.292 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.223 -1.668 2.990 1.00 0.00 H new ATOM 594 N ILE A 36 -7.983 3.585 -0.291 1.00 0.00 N ATOM 595 CA ILE A 36 -8.016 4.997 -0.645 1.00 0.00 C ATOM 596 C ILE A 36 -9.322 5.352 -1.348 1.00 0.00 C ATOM 597 O ILE A 36 -9.621 6.527 -1.567 1.00 0.00 O ATOM 598 CB ILE A 36 -6.833 5.378 -1.555 1.00 0.00 C ATOM 599 CG1 ILE A 36 -6.781 4.457 -2.776 1.00 0.00 C ATOM 600 CG2 ILE A 36 -5.529 5.310 -0.778 1.00 0.00 C ATOM 601 CD1 ILE A 36 -6.260 5.137 -4.023 1.00 0.00 C ATOM 0 H ILE A 36 -7.578 2.981 -1.006 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.940 5.560 0.285 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.975 6.401 -1.903 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.148 3.600 -2.548 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.781 4.071 -2.973 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.701 5.582 -1.433 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.570 6.003 0.062 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.380 4.297 -0.406 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.251 4.425 -4.849 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.906 5.978 -4.276 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.247 5.499 -3.844 1.00 0.00 H new ATOM 613 N MET A 37 -10.098 4.332 -1.700 1.00 0.00 N ATOM 614 CA MET A 37 -11.369 4.539 -2.375 1.00 0.00 C ATOM 615 C MET A 37 -12.502 3.854 -1.612 1.00 0.00 C ATOM 616 O MET A 37 -12.691 2.642 -1.720 1.00 0.00 O ATOM 617 CB MET A 37 -11.296 4.018 -3.815 1.00 0.00 C ATOM 618 CG MET A 37 -12.624 4.060 -4.557 1.00 0.00 C ATOM 619 SD MET A 37 -12.746 2.795 -5.838 1.00 0.00 S ATOM 620 CE MET A 37 -11.391 3.260 -6.912 1.00 0.00 C ATOM 0 H MET A 37 -9.866 3.354 -1.528 1.00 0.00 H new ATOM 0 HA MET A 37 -11.576 5.609 -2.403 1.00 0.00 H new ATOM 0 HB2 MET A 37 -10.564 4.608 -4.367 1.00 0.00 H new ATOM 0 HB3 MET A 37 -10.932 2.991 -3.801 1.00 0.00 H new ATOM 0 HG2 MET A 37 -13.438 3.929 -3.844 1.00 0.00 H new ATOM 0 HG3 MET A 37 -12.752 5.043 -5.010 1.00 0.00 H new ATOM 0 HE1 MET A 37 -11.778 3.502 -7.902 1.00 0.00 H new ATOM 0 HE2 MET A 37 -10.881 4.130 -6.499 1.00 0.00 H new ATOM 0 HE3 MET A 37 -10.688 2.431 -6.990 1.00 0.00 H new ATOM 630 N PRO A 38 -13.275 4.625 -0.823 1.00 0.00 N ATOM 631 CA PRO A 38 -14.391 4.086 -0.039 1.00 0.00 C ATOM 632 C PRO A 38 -15.563 3.656 -0.917 1.00 0.00 C ATOM 633 O PRO A 38 -16.378 2.826 -0.516 1.00 0.00 O ATOM 634 CB PRO A 38 -14.797 5.260 0.856 1.00 0.00 C ATOM 635 CG PRO A 38 -14.371 6.471 0.102 1.00 0.00 C ATOM 636 CD PRO A 38 -13.119 6.081 -0.631 1.00 0.00 C ATOM 0 HA PRO A 38 -14.105 3.190 0.513 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -15.871 5.265 1.040 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -14.307 5.205 1.828 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -15.147 6.791 -0.593 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -14.184 7.306 0.777 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -13.031 6.605 -1.583 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -12.225 6.317 -0.053 1.00 0.00 H new ATOM 644 N GLU A 39 -15.642 4.225 -2.115 1.00 0.00 N ATOM 645 CA GLU A 39 -16.714 3.898 -3.045 1.00 0.00 C ATOM 646 C GLU A 39 -16.184 3.801 -4.470 1.00 0.00 C ATOM 647 O GLU A 39 -15.280 4.539 -4.858 1.00 0.00 O ATOM 648 CB GLU A 39 -17.822 4.949 -2.970 1.00 0.00 C ATOM 649 CG GLU A 39 -17.307 6.377 -2.986 1.00 0.00 C ATOM 650 CD GLU A 39 -18.308 7.350 -3.576 1.00 0.00 C ATOM 651 OE1 GLU A 39 -19.260 7.729 -2.861 1.00 0.00 O ATOM 652 OE2 GLU A 39 -18.142 7.731 -4.755 1.00 0.00 O ATOM 0 H GLU A 39 -14.976 4.915 -2.464 1.00 0.00 H new ATOM 0 HA GLU A 39 -17.125 2.929 -2.762 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -18.503 4.808 -3.809 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -18.401 4.790 -2.060 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -17.064 6.683 -1.969 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -16.382 6.419 -3.561 1.00 0.00 H new ATOM 659 N LYS A 40 -16.756 2.887 -5.251 1.00 0.00 N ATOM 660 CA LYS A 40 -16.336 2.698 -6.636 1.00 0.00 C ATOM 661 C LYS A 40 -16.545 3.956 -7.466 1.00 0.00 C ATOM 662 O LYS A 40 -16.093 4.052 -8.607 1.00 0.00 O ATOM 663 CB LYS A 40 -17.073 1.515 -7.268 1.00 0.00 C ATOM 664 CG LYS A 40 -16.260 0.781 -8.322 1.00 0.00 C ATOM 665 CD LYS A 40 -16.602 1.260 -9.725 1.00 0.00 C ATOM 666 CE LYS A 40 -17.763 0.476 -10.317 1.00 0.00 C ATOM 667 NZ LYS A 40 -18.581 1.309 -11.240 1.00 0.00 N ATOM 0 H LYS A 40 -17.509 2.268 -4.949 1.00 0.00 H new ATOM 0 HA LYS A 40 -15.268 2.482 -6.625 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -17.353 0.812 -6.484 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -17.998 1.874 -7.720 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -15.197 0.933 -8.134 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -16.447 -0.290 -8.247 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -16.855 2.320 -9.697 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -15.728 1.158 -10.368 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -17.379 -0.391 -10.854 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -18.394 0.099 -9.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -19.362 0.739 -11.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -18.968 2.123 -10.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -17.985 1.648 -12.022 1.00 0.00 H new ATOM 681 N GLY A 41 -17.226 4.912 -6.877 1.00 0.00 N ATOM 682 CA GLY A 41 -17.502 6.169 -7.545 1.00 0.00 C ATOM 683 C GLY A 41 -16.332 7.131 -7.490 1.00 0.00 C ATOM 684 O GLY A 41 -15.809 7.543 -8.527 1.00 0.00 O ATOM 0 H GLY A 41 -17.602 4.845 -5.931 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -17.758 5.974 -8.586 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -18.373 6.636 -7.085 1.00 0.00 H new ATOM 688 N VAL A 42 -15.916 7.492 -6.279 1.00 0.00 N ATOM 689 CA VAL A 42 -14.801 8.418 -6.108 1.00 0.00 C ATOM 690 C VAL A 42 -13.992 8.100 -4.857 1.00 0.00 C ATOM 691 O VAL A 42 -14.552 7.859 -3.787 1.00 0.00 O ATOM 692 CB VAL A 42 -15.292 9.877 -6.023 1.00 0.00 C ATOM 693 CG1 VAL A 42 -14.116 10.839 -6.102 1.00 0.00 C ATOM 694 CG2 VAL A 42 -16.304 10.168 -7.120 1.00 0.00 C ATOM 0 H VAL A 42 -16.331 7.160 -5.408 1.00 0.00 H new ATOM 0 HA VAL A 42 -14.164 8.299 -6.985 1.00 0.00 H new ATOM 0 HB VAL A 42 -15.786 10.019 -5.062 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.480 11.865 -6.041 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -13.432 10.647 -5.275 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -13.592 10.696 -7.047 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -16.638 11.203 -7.042 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.841 10.008 -8.094 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.160 9.502 -7.012 1.00 0.00 H new ATOM 704 N PHE A 43 -12.669 8.104 -4.996 1.00 0.00 N ATOM 705 CA PHE A 43 -11.784 7.816 -3.868 1.00 0.00 C ATOM 706 C PHE A 43 -11.814 8.939 -2.834 1.00 0.00 C ATOM 707 O PHE A 43 -12.383 10.004 -3.071 1.00 0.00 O ATOM 708 CB PHE A 43 -10.338 7.572 -4.325 1.00 0.00 C ATOM 709 CG PHE A 43 -9.991 8.173 -5.658 1.00 0.00 C ATOM 710 CD1 PHE A 43 -9.593 9.497 -5.756 1.00 0.00 C ATOM 711 CD2 PHE A 43 -10.061 7.410 -6.809 1.00 0.00 C ATOM 712 CE1 PHE A 43 -9.270 10.048 -6.981 1.00 0.00 C ATOM 713 CE2 PHE A 43 -9.739 7.954 -8.038 1.00 0.00 C ATOM 714 CZ PHE A 43 -9.343 9.275 -8.123 1.00 0.00 C ATOM 0 H PHE A 43 -12.187 8.302 -5.873 1.00 0.00 H new ATOM 0 HA PHE A 43 -12.158 6.903 -3.406 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.661 7.975 -3.572 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.162 6.497 -4.369 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.535 10.105 -4.865 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.371 6.377 -6.747 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.961 11.081 -7.045 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -9.797 7.348 -8.930 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.091 9.703 -9.082 1.00 0.00 H new ATOM 724 N ASP A 44 -11.194 8.685 -1.683 1.00 0.00 N ATOM 725 CA ASP A 44 -11.143 9.660 -0.596 1.00 0.00 C ATOM 726 C ASP A 44 -9.916 10.564 -0.726 1.00 0.00 C ATOM 727 O ASP A 44 -8.823 10.208 -0.289 1.00 0.00 O ATOM 728 CB ASP A 44 -11.118 8.938 0.753 1.00 0.00 C ATOM 729 CG ASP A 44 -11.081 9.899 1.926 1.00 0.00 C ATOM 730 OD1 ASP A 44 -11.921 10.822 1.964 1.00 0.00 O ATOM 731 OD2 ASP A 44 -10.213 9.726 2.807 1.00 0.00 O ATOM 0 H ASP A 44 -10.717 7.807 -1.479 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.035 10.284 -0.656 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.999 8.301 0.837 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.247 8.284 0.795 1.00 0.00 H new ATOM 736 N ASP A 45 -10.109 11.734 -1.327 1.00 0.00 N ATOM 737 CA ASP A 45 -9.024 12.694 -1.525 1.00 0.00 C ATOM 738 C ASP A 45 -8.361 13.094 -0.205 1.00 0.00 C ATOM 739 O ASP A 45 -7.245 13.612 -0.202 1.00 0.00 O ATOM 740 CB ASP A 45 -9.553 13.943 -2.232 1.00 0.00 C ATOM 741 CG ASP A 45 -8.450 14.931 -2.563 1.00 0.00 C ATOM 742 OD1 ASP A 45 -7.377 14.489 -3.025 1.00 0.00 O ATOM 743 OD2 ASP A 45 -8.661 16.146 -2.360 1.00 0.00 O ATOM 0 H ASP A 45 -11.012 12.043 -1.688 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.269 12.208 -2.143 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -10.062 13.649 -3.150 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -10.295 14.429 -1.598 1.00 0.00 H new ATOM 748 N GLU A 46 -9.047 12.862 0.912 1.00 0.00 N ATOM 749 CA GLU A 46 -8.503 13.214 2.220 1.00 0.00 C ATOM 750 C GLU A 46 -7.175 12.506 2.464 1.00 0.00 C ATOM 751 O GLU A 46 -6.168 13.142 2.777 1.00 0.00 O ATOM 752 CB GLU A 46 -9.497 12.860 3.327 1.00 0.00 C ATOM 753 CG GLU A 46 -10.870 13.481 3.132 1.00 0.00 C ATOM 754 CD GLU A 46 -11.107 14.669 4.042 1.00 0.00 C ATOM 755 OE1 GLU A 46 -10.722 15.795 3.661 1.00 0.00 O ATOM 756 OE2 GLU A 46 -11.678 14.475 5.136 1.00 0.00 O ATOM 0 H GLU A 46 -9.973 12.435 0.938 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.329 14.290 2.234 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.601 11.776 3.377 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.093 13.186 4.285 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.978 13.796 2.094 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.635 12.727 3.318 1.00 0.00 H new ATOM 763 N LYS A 47 -7.178 11.188 2.308 1.00 0.00 N ATOM 764 CA LYS A 47 -5.969 10.396 2.501 1.00 0.00 C ATOM 765 C LYS A 47 -4.992 10.633 1.357 1.00 0.00 C ATOM 766 O LYS A 47 -3.778 10.672 1.557 1.00 0.00 O ATOM 767 CB LYS A 47 -6.314 8.908 2.596 1.00 0.00 C ATOM 768 CG LYS A 47 -7.486 8.610 3.519 1.00 0.00 C ATOM 769 CD LYS A 47 -7.017 8.254 4.920 1.00 0.00 C ATOM 770 CE LYS A 47 -8.024 8.692 5.971 1.00 0.00 C ATOM 771 NZ LYS A 47 -7.760 10.077 6.449 1.00 0.00 N ATOM 0 H LYS A 47 -8.002 10.646 2.049 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.500 10.707 3.434 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.544 8.533 1.599 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.438 8.363 2.948 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.144 9.478 3.564 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.072 7.787 3.110 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.861 7.178 4.990 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.056 8.729 5.115 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.030 8.637 5.555 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.990 8.004 6.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.468 10.338 7.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.810 10.124 6.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.817 10.738 5.648 1.00 0.00 H new ATOM 785 N ILE A 48 -5.536 10.803 0.156 1.00 0.00 N ATOM 786 CA ILE A 48 -4.725 11.045 -1.031 1.00 0.00 C ATOM 787 C ILE A 48 -3.775 12.218 -0.813 1.00 0.00 C ATOM 788 O ILE A 48 -2.582 12.129 -1.102 1.00 0.00 O ATOM 789 CB ILE A 48 -5.614 11.338 -2.258 1.00 0.00 C ATOM 790 CG1 ILE A 48 -6.568 10.170 -2.520 1.00 0.00 C ATOM 791 CG2 ILE A 48 -4.762 11.620 -3.488 1.00 0.00 C ATOM 792 CD1 ILE A 48 -5.868 8.894 -2.934 1.00 0.00 C ATOM 0 H ILE A 48 -6.540 10.777 -0.021 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.144 10.141 -1.216 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.207 12.227 -2.045 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.150 9.979 -1.619 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.273 10.457 -3.300 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.410 11.824 -4.341 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.127 12.486 -3.300 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.138 10.753 -3.705 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -6.608 8.111 -3.102 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.308 9.068 -3.853 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.183 8.582 -2.145 1.00 0.00 H new ATOM 804 N ALA A 49 -4.318 13.318 -0.302 1.00 0.00 N ATOM 805 CA ALA A 49 -3.522 14.511 -0.046 1.00 0.00 C ATOM 806 C ALA A 49 -2.455 14.229 1.003 1.00 0.00 C ATOM 807 O ALA A 49 -1.268 14.472 0.783 1.00 0.00 O ATOM 808 CB ALA A 49 -4.417 15.659 0.400 1.00 0.00 C ATOM 0 H ALA A 49 -5.304 13.407 -0.058 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.024 14.798 -0.972 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -3.808 16.543 0.588 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.144 15.878 -0.382 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.940 15.378 1.314 1.00 0.00 H new ATOM 814 N GLU A 50 -2.888 13.703 2.144 1.00 0.00 N ATOM 815 CA GLU A 50 -1.973 13.371 3.227 1.00 0.00 C ATOM 816 C GLU A 50 -0.923 12.373 2.748 1.00 0.00 C ATOM 817 O GLU A 50 0.200 12.348 3.250 1.00 0.00 O ATOM 818 CB GLU A 50 -2.752 12.796 4.417 1.00 0.00 C ATOM 819 CG GLU A 50 -1.890 12.045 5.424 1.00 0.00 C ATOM 820 CD GLU A 50 -2.167 12.459 6.855 1.00 0.00 C ATOM 821 OE1 GLU A 50 -3.343 12.734 7.177 1.00 0.00 O ATOM 822 OE2 GLU A 50 -1.209 12.511 7.655 1.00 0.00 O ATOM 0 H GLU A 50 -3.867 13.498 2.341 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.464 14.280 3.547 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.263 13.611 4.930 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.522 12.122 4.041 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.066 10.974 5.319 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.838 12.219 5.197 1.00 0.00 H new ATOM 829 N LEU A 51 -1.295 11.559 1.764 1.00 0.00 N ATOM 830 CA LEU A 51 -0.393 10.560 1.216 1.00 0.00 C ATOM 831 C LEU A 51 0.863 11.243 0.683 1.00 0.00 C ATOM 832 O LEU A 51 1.973 10.955 1.125 1.00 0.00 O ATOM 833 CB LEU A 51 -1.106 9.782 0.107 1.00 0.00 C ATOM 834 CG LEU A 51 -0.551 8.391 -0.186 1.00 0.00 C ATOM 835 CD1 LEU A 51 -1.312 7.748 -1.333 1.00 0.00 C ATOM 836 CD2 LEU A 51 0.929 8.447 -0.501 1.00 0.00 C ATOM 0 H LEU A 51 -2.218 11.575 1.331 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.098 9.858 1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.158 9.684 0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.064 10.371 -0.809 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.682 7.782 0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.904 6.757 -1.530 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.365 7.661 -1.067 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.213 8.365 -2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.296 7.441 -0.705 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.091 9.077 -1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.467 8.863 0.351 1.00 0.00 H new ATOM 848 N LEU A 52 0.671 12.169 -0.258 1.00 0.00 N ATOM 849 CA LEU A 52 1.767 12.922 -0.848 1.00 0.00 C ATOM 850 C LEU A 52 2.688 13.491 0.223 1.00 0.00 C ATOM 851 O LEU A 52 3.910 13.364 0.149 1.00 0.00 O ATOM 852 CB LEU A 52 1.183 14.040 -1.680 1.00 0.00 C ATOM 853 CG LEU A 52 0.046 13.601 -2.596 1.00 0.00 C ATOM 854 CD1 LEU A 52 -0.053 14.549 -3.746 1.00 0.00 C ATOM 855 CD2 LEU A 52 0.267 12.183 -3.106 1.00 0.00 C ATOM 0 H LEU A 52 -0.247 12.414 -0.628 1.00 0.00 H new ATOM 0 HA LEU A 52 2.364 12.257 -1.471 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.818 14.822 -1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.975 14.480 -2.286 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.884 13.610 -2.028 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.865 14.239 -4.404 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.251 15.554 -3.373 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.885 14.547 -4.301 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.560 11.897 -3.757 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.201 12.139 -3.666 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.318 11.496 -2.261 1.00 0.00 H new ATOM 867 N THR A 53 2.083 14.119 1.222 1.00 0.00 N ATOM 868 CA THR A 53 2.834 14.712 2.323 1.00 0.00 C ATOM 869 C THR A 53 3.432 13.635 3.227 1.00 0.00 C ATOM 870 O THR A 53 4.393 13.886 3.954 1.00 0.00 O ATOM 871 CB THR A 53 1.933 15.637 3.141 1.00 0.00 C ATOM 872 OG1 THR A 53 1.322 16.607 2.309 1.00 0.00 O ATOM 873 CG2 THR A 53 2.669 16.373 4.240 1.00 0.00 C ATOM 0 H THR A 53 1.072 14.232 1.294 1.00 0.00 H new ATOM 0 HA THR A 53 3.652 15.293 1.896 1.00 0.00 H new ATOM 0 HB THR A 53 1.190 14.984 3.598 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.748 17.188 2.851 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.971 17.012 4.781 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.110 15.652 4.929 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.457 16.986 3.803 1.00 0.00 H new ATOM 881 N LYS A 54 2.850 12.438 3.187 1.00 0.00 N ATOM 882 CA LYS A 54 3.317 11.330 4.016 1.00 0.00 C ATOM 883 C LYS A 54 4.643 10.759 3.512 1.00 0.00 C ATOM 884 O LYS A 54 5.536 10.464 4.305 1.00 0.00 O ATOM 885 CB LYS A 54 2.259 10.225 4.069 1.00 0.00 C ATOM 886 CG LYS A 54 1.367 10.296 5.297 1.00 0.00 C ATOM 887 CD LYS A 54 2.051 9.703 6.517 1.00 0.00 C ATOM 888 CE LYS A 54 2.104 8.185 6.442 1.00 0.00 C ATOM 889 NZ LYS A 54 3.370 7.645 7.010 1.00 0.00 N ATOM 0 H LYS A 54 2.055 12.211 2.590 1.00 0.00 H new ATOM 0 HA LYS A 54 3.484 11.722 5.019 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.638 10.285 3.175 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.757 9.255 4.047 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.102 11.334 5.496 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.437 9.761 5.104 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.063 10.100 6.597 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.517 10.006 7.418 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.256 7.765 6.982 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.008 7.869 5.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.367 6.607 6.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.179 8.026 6.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.449 7.924 8.009 1.00 0.00 H new ATOM 903 N LEU A 55 4.768 10.594 2.196 1.00 0.00 N ATOM 904 CA LEU A 55 5.991 10.042 1.620 1.00 0.00 C ATOM 905 C LEU A 55 7.196 10.906 1.973 1.00 0.00 C ATOM 906 O LEU A 55 8.280 10.396 2.261 1.00 0.00 O ATOM 907 CB LEU A 55 5.877 9.907 0.108 1.00 0.00 C ATOM 908 CG LEU A 55 4.551 9.335 -0.366 1.00 0.00 C ATOM 909 CD1 LEU A 55 3.661 10.455 -0.824 1.00 0.00 C ATOM 910 CD2 LEU A 55 4.757 8.325 -1.477 1.00 0.00 C ATOM 0 H LEU A 55 4.046 10.832 1.516 1.00 0.00 H new ATOM 0 HA LEU A 55 6.132 9.049 2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.020 10.888 -0.345 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.685 9.269 -0.251 1.00 0.00 H new ATOM 0 HG LEU A 55 4.075 8.814 0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.709 10.047 -1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.486 11.142 0.004 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.141 10.989 -1.644 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.791 7.933 -1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.249 8.808 -2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.379 7.507 -1.114 1.00 0.00 H new ATOM 922 N GLY A 56 6.994 12.219 1.953 1.00 0.00 N ATOM 923 CA GLY A 56 8.062 13.146 2.271 1.00 0.00 C ATOM 924 C GLY A 56 7.628 14.591 2.113 1.00 0.00 C ATOM 925 O GLY A 56 6.831 15.095 2.903 1.00 0.00 O ATOM 0 H GLY A 56 6.104 12.659 1.721 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.395 12.978 3.295 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.916 12.951 1.622 1.00 0.00 H new ATOM 929 N ARG A 57 8.148 15.254 1.086 1.00 0.00 N ATOM 930 CA ARG A 57 7.802 16.645 0.819 1.00 0.00 C ATOM 931 C ARG A 57 7.893 16.946 -0.668 1.00 0.00 C ATOM 932 O ARG A 57 8.224 18.060 -1.075 1.00 0.00 O ATOM 933 CB ARG A 57 8.716 17.584 1.604 1.00 0.00 C ATOM 934 CG ARG A 57 8.306 17.737 3.057 1.00 0.00 C ATOM 935 CD ARG A 57 8.524 19.157 3.552 1.00 0.00 C ATOM 936 NE ARG A 57 7.807 19.420 4.798 1.00 0.00 N ATOM 937 CZ ARG A 57 6.509 19.707 4.861 1.00 0.00 C ATOM 938 NH1 ARG A 57 5.780 19.766 3.752 1.00 0.00 N ATOM 939 NH2 ARG A 57 5.938 19.935 6.035 1.00 0.00 N ATOM 0 H ARG A 57 8.811 14.850 0.424 1.00 0.00 H new ATOM 0 HA ARG A 57 6.774 16.807 1.142 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.738 17.208 1.559 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.715 18.564 1.127 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.256 17.469 3.170 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.880 17.044 3.673 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.590 19.328 3.704 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.194 19.861 2.789 1.00 0.00 H new ATOM 0 HE ARG A 57 8.333 19.381 5.671 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.215 19.591 2.846 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.786 19.986 3.806 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.493 19.890 6.889 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.943 20.155 6.084 1.00 0.00 H new ATOM 953 N ASP A 58 7.589 15.939 -1.474 1.00 0.00 N ATOM 954 CA ASP A 58 7.626 16.070 -2.920 1.00 0.00 C ATOM 955 C ASP A 58 6.250 15.768 -3.518 1.00 0.00 C ATOM 956 O ASP A 58 5.224 15.966 -2.866 1.00 0.00 O ATOM 957 CB ASP A 58 8.696 15.132 -3.496 1.00 0.00 C ATOM 958 CG ASP A 58 8.309 13.669 -3.390 1.00 0.00 C ATOM 959 OD1 ASP A 58 7.386 13.354 -2.609 1.00 0.00 O ATOM 960 OD2 ASP A 58 8.931 12.838 -4.086 1.00 0.00 O ATOM 0 H ASP A 58 7.312 15.014 -1.145 1.00 0.00 H new ATOM 0 HA ASP A 58 7.886 17.096 -3.182 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.869 15.383 -4.543 1.00 0.00 H new ATOM 0 HB3 ASP A 58 9.637 15.294 -2.970 1.00 0.00 H new ATOM 965 N THR A 59 6.236 15.293 -4.755 1.00 0.00 N ATOM 966 CA THR A 59 4.992 14.963 -5.441 1.00 0.00 C ATOM 967 C THR A 59 4.972 13.495 -5.851 1.00 0.00 C ATOM 968 O THR A 59 5.984 12.801 -5.762 1.00 0.00 O ATOM 969 CB THR A 59 4.811 15.851 -6.673 1.00 0.00 C ATOM 970 OG1 THR A 59 3.796 15.337 -7.517 1.00 0.00 O ATOM 971 CG2 THR A 59 6.069 15.991 -7.503 1.00 0.00 C ATOM 0 H THR A 59 7.077 15.126 -5.308 1.00 0.00 H new ATOM 0 HA THR A 59 4.168 15.141 -4.751 1.00 0.00 H new ATOM 0 HB THR A 59 4.542 16.833 -6.282 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.694 15.920 -8.298 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.869 16.634 -8.361 1.00 0.00 H new ATOM 0 HG22 THR A 59 6.859 16.432 -6.895 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.386 15.008 -7.852 1.00 0.00 H new ATOM 979 N GLN A 60 3.814 13.030 -6.310 1.00 0.00 N ATOM 980 CA GLN A 60 3.664 11.650 -6.741 1.00 0.00 C ATOM 981 C GLN A 60 3.975 11.519 -8.224 1.00 0.00 C ATOM 982 O GLN A 60 3.137 11.799 -9.080 1.00 0.00 O ATOM 983 CB GLN A 60 2.248 11.149 -6.460 1.00 0.00 C ATOM 984 CG GLN A 60 1.166 11.920 -7.200 1.00 0.00 C ATOM 985 CD GLN A 60 -0.179 11.849 -6.505 1.00 0.00 C ATOM 986 OE1 GLN A 60 -0.851 12.864 -6.322 1.00 0.00 O ATOM 987 NE2 GLN A 60 -0.579 10.645 -6.113 1.00 0.00 N ATOM 0 H GLN A 60 2.967 13.592 -6.392 1.00 0.00 H new ATOM 0 HA GLN A 60 4.370 11.040 -6.177 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.184 10.096 -6.735 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.057 11.211 -5.389 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.468 12.963 -7.294 1.00 0.00 H new ATOM 0 HG3 GLN A 60 1.070 11.524 -8.211 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.010 9.831 -6.285 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.476 10.535 -5.640 1.00 0.00 H new ATOM 996 N ILE A 61 5.190 11.088 -8.514 1.00 0.00 N ATOM 997 CA ILE A 61 5.642 10.912 -9.889 1.00 0.00 C ATOM 998 C ILE A 61 5.114 9.611 -10.480 1.00 0.00 C ATOM 999 O ILE A 61 5.800 8.589 -10.471 1.00 0.00 O ATOM 1000 CB ILE A 61 7.180 10.916 -9.983 1.00 0.00 C ATOM 1001 CG1 ILE A 61 7.757 12.111 -9.222 1.00 0.00 C ATOM 1002 CG2 ILE A 61 7.622 10.944 -11.438 1.00 0.00 C ATOM 1003 CD1 ILE A 61 7.364 13.449 -9.812 1.00 0.00 C ATOM 0 H ILE A 61 5.889 10.851 -7.810 1.00 0.00 H new ATOM 0 HA ILE A 61 5.248 11.754 -10.458 1.00 0.00 H new ATOM 0 HB ILE A 61 7.559 10.002 -9.526 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.423 12.067 -8.185 1.00 0.00 H new ATOM 0 HG13 ILE A 61 8.844 12.033 -9.210 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.711 10.947 -11.487 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.237 10.063 -11.952 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.235 11.842 -11.919 1.00 0.00 H new ATOM 0 HD11 ILE A 61 7.808 14.251 -9.222 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.722 13.513 -10.840 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.279 13.548 -9.799 1.00 0.00 H new ATOM 1015 N GLY A 62 3.890 9.656 -10.993 1.00 0.00 N ATOM 1016 CA GLY A 62 3.290 8.475 -11.583 1.00 0.00 C ATOM 1017 C GLY A 62 3.213 7.316 -10.608 1.00 0.00 C ATOM 1018 O GLY A 62 3.190 6.155 -11.016 1.00 0.00 O ATOM 0 H GLY A 62 3.303 10.490 -11.011 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.287 8.718 -11.934 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.870 8.174 -12.456 1.00 0.00 H new ATOM 1022 N LEU A 63 3.178 7.631 -9.317 1.00 0.00 N ATOM 1023 CA LEU A 63 3.103 6.605 -8.284 1.00 0.00 C ATOM 1024 C LEU A 63 1.866 5.733 -8.476 1.00 0.00 C ATOM 1025 O LEU A 63 0.820 6.209 -8.915 1.00 0.00 O ATOM 1026 CB LEU A 63 3.086 7.249 -6.895 1.00 0.00 C ATOM 1027 CG LEU A 63 4.374 7.078 -6.087 1.00 0.00 C ATOM 1028 CD1 LEU A 63 4.548 5.628 -5.664 1.00 0.00 C ATOM 1029 CD2 LEU A 63 5.575 7.547 -6.894 1.00 0.00 C ATOM 0 H LEU A 63 3.200 8.587 -8.962 1.00 0.00 H new ATOM 0 HA LEU A 63 3.986 5.971 -8.367 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.884 8.314 -7.007 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.259 6.826 -6.325 1.00 0.00 H new ATOM 0 HG LEU A 63 4.302 7.692 -5.189 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.469 5.524 -5.090 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.701 5.324 -5.049 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.599 4.994 -6.549 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.482 7.418 -6.304 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.651 6.959 -7.809 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.454 8.600 -7.148 1.00 0.00 H new ATOM 1041 N THR A 64 1.997 4.452 -8.148 1.00 0.00 N ATOM 1042 CA THR A 64 0.891 3.514 -8.293 1.00 0.00 C ATOM 1043 C THR A 64 0.638 2.747 -7.000 1.00 0.00 C ATOM 1044 O THR A 64 1.425 2.814 -6.056 1.00 0.00 O ATOM 1045 CB THR A 64 1.176 2.535 -9.432 1.00 0.00 C ATOM 1046 OG1 THR A 64 2.429 1.901 -9.247 1.00 0.00 O ATOM 1047 CG2 THR A 64 1.189 3.191 -10.796 1.00 0.00 C ATOM 0 H THR A 64 2.855 4.041 -7.781 1.00 0.00 H new ATOM 0 HA THR A 64 -0.005 4.089 -8.526 1.00 0.00 H new ATOM 0 HB THR A 64 0.360 1.812 -9.403 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.592 1.277 -9.985 1.00 0.00 H new ATOM 0 HG21 THR A 64 1.397 2.441 -11.559 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.218 3.646 -10.990 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.962 3.959 -10.823 1.00 0.00 H new ATOM 1055 N MET A 65 -0.469 2.014 -6.972 1.00 0.00 N ATOM 1056 CA MET A 65 -0.836 1.223 -5.807 1.00 0.00 C ATOM 1057 C MET A 65 -0.493 -0.246 -6.025 1.00 0.00 C ATOM 1058 O MET A 65 -0.386 -0.703 -7.163 1.00 0.00 O ATOM 1059 CB MET A 65 -2.331 1.375 -5.514 1.00 0.00 C ATOM 1060 CG MET A 65 -2.703 2.734 -4.943 1.00 0.00 C ATOM 1061 SD MET A 65 -2.872 3.997 -6.218 1.00 0.00 S ATOM 1062 CE MET A 65 -2.074 5.389 -5.423 1.00 0.00 C ATOM 0 H MET A 65 -1.129 1.952 -7.747 1.00 0.00 H new ATOM 0 HA MET A 65 -0.268 1.588 -4.951 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.892 1.211 -6.434 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.636 0.599 -4.812 1.00 0.00 H new ATOM 0 HG2 MET A 65 -3.641 2.649 -4.394 1.00 0.00 H new ATOM 0 HG3 MET A 65 -1.942 3.044 -4.228 1.00 0.00 H new ATOM 0 HE1 MET A 65 -2.098 6.251 -6.089 1.00 0.00 H new ATOM 0 HE2 MET A 65 -2.599 5.630 -4.499 1.00 0.00 H new ATOM 0 HE3 MET A 65 -1.039 5.134 -5.197 1.00 0.00 H new ATOM 1072 N PRO A 66 -0.307 -1.007 -4.934 1.00 0.00 N ATOM 1073 CA PRO A 66 -0.422 -0.513 -3.564 1.00 0.00 C ATOM 1074 C PRO A 66 0.869 0.123 -3.053 1.00 0.00 C ATOM 1075 O PRO A 66 1.967 -0.330 -3.375 1.00 0.00 O ATOM 1076 CB PRO A 66 -0.742 -1.782 -2.755 1.00 0.00 C ATOM 1077 CG PRO A 66 -0.736 -2.911 -3.740 1.00 0.00 C ATOM 1078 CD PRO A 66 0.020 -2.427 -4.940 1.00 0.00 C ATOM 0 HA PRO A 66 -1.174 0.271 -3.483 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.001 -1.943 -1.972 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.711 -1.698 -2.264 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.262 -3.795 -3.314 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.753 -3.194 -4.011 1.00 0.00 H new ATOM 0 HD2 PRO A 66 1.092 -2.602 -4.848 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.306 -2.919 -5.856 1.00 0.00 H new ATOM 1086 N GLN A 67 0.726 1.162 -2.234 1.00 0.00 N ATOM 1087 CA GLN A 67 1.872 1.846 -1.656 1.00 0.00 C ATOM 1088 C GLN A 67 1.976 1.513 -0.174 1.00 0.00 C ATOM 1089 O GLN A 67 1.104 1.874 0.614 1.00 0.00 O ATOM 1090 CB GLN A 67 1.747 3.358 -1.853 1.00 0.00 C ATOM 1091 CG GLN A 67 2.301 3.848 -3.181 1.00 0.00 C ATOM 1092 CD GLN A 67 3.703 4.409 -3.057 1.00 0.00 C ATOM 1093 OE1 GLN A 67 3.890 5.607 -2.840 1.00 0.00 O ATOM 1094 NE2 GLN A 67 4.702 3.543 -3.196 1.00 0.00 N ATOM 0 H GLN A 67 -0.177 1.547 -1.957 1.00 0.00 H new ATOM 0 HA GLN A 67 2.777 1.508 -2.161 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.696 3.639 -1.781 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.269 3.866 -1.042 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.305 3.024 -3.895 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.641 4.616 -3.585 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.503 2.559 -3.375 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.668 3.863 -3.124 1.00 0.00 H new ATOM 1103 N VAL A 68 3.027 0.800 0.202 1.00 0.00 N ATOM 1104 CA VAL A 68 3.204 0.409 1.591 1.00 0.00 C ATOM 1105 C VAL A 68 3.936 1.479 2.392 1.00 0.00 C ATOM 1106 O VAL A 68 4.601 2.353 1.834 1.00 0.00 O ATOM 1107 CB VAL A 68 3.959 -0.934 1.727 1.00 0.00 C ATOM 1108 CG1 VAL A 68 3.723 -1.536 3.103 1.00 0.00 C ATOM 1109 CG2 VAL A 68 3.536 -1.915 0.640 1.00 0.00 C ATOM 0 H VAL A 68 3.763 0.483 -0.429 1.00 0.00 H new ATOM 0 HA VAL A 68 2.200 0.287 1.997 1.00 0.00 H new ATOM 0 HB VAL A 68 5.024 -0.736 1.607 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.261 -2.481 3.184 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.082 -0.847 3.868 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.657 -1.712 3.245 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.083 -2.850 0.761 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.466 -2.108 0.720 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.756 -1.490 -0.339 1.00 0.00 H new ATOM 1119 N PHE A 69 3.805 1.394 3.712 1.00 0.00 N ATOM 1120 CA PHE A 69 4.444 2.341 4.618 1.00 0.00 C ATOM 1121 C PHE A 69 4.928 1.618 5.874 1.00 0.00 C ATOM 1122 O PHE A 69 4.275 0.692 6.355 1.00 0.00 O ATOM 1123 CB PHE A 69 3.460 3.445 5.016 1.00 0.00 C ATOM 1124 CG PHE A 69 3.247 4.480 3.951 1.00 0.00 C ATOM 1125 CD1 PHE A 69 4.130 5.536 3.809 1.00 0.00 C ATOM 1126 CD2 PHE A 69 2.165 4.395 3.090 1.00 0.00 C ATOM 1127 CE1 PHE A 69 3.939 6.489 2.827 1.00 0.00 C ATOM 1128 CE2 PHE A 69 1.968 5.345 2.104 1.00 0.00 C ATOM 1129 CZ PHE A 69 2.858 6.394 1.974 1.00 0.00 C ATOM 0 H PHE A 69 3.257 0.672 4.181 1.00 0.00 H new ATOM 0 HA PHE A 69 5.295 2.789 4.105 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.501 2.991 5.265 1.00 0.00 H new ATOM 0 HB3 PHE A 69 3.825 3.936 5.918 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.978 5.616 4.473 1.00 0.00 H new ATOM 0 HD2 PHE A 69 1.467 3.577 3.190 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.636 7.308 2.727 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.121 5.267 1.438 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.708 7.138 1.206 1.00 0.00 H new ATOM 1139 N ALA A 70 6.078 2.035 6.393 1.00 0.00 N ATOM 1140 CA ALA A 70 6.647 1.416 7.588 1.00 0.00 C ATOM 1141 C ALA A 70 5.630 1.384 8.729 1.00 0.00 C ATOM 1142 O ALA A 70 4.776 2.265 8.833 1.00 0.00 O ATOM 1143 CB ALA A 70 7.901 2.163 8.022 1.00 0.00 C ATOM 0 H ALA A 70 6.635 2.798 6.007 1.00 0.00 H new ATOM 0 HA ALA A 70 6.913 0.388 7.342 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.315 1.692 8.913 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.638 2.133 7.220 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.648 3.200 8.244 1.00 0.00 H new ATOM 1149 N PRO A 71 5.717 0.374 9.615 1.00 0.00 N ATOM 1150 CA PRO A 71 4.805 0.240 10.756 1.00 0.00 C ATOM 1151 C PRO A 71 5.019 1.331 11.803 1.00 0.00 C ATOM 1152 O PRO A 71 4.220 1.477 12.729 1.00 0.00 O ATOM 1153 CB PRO A 71 5.135 -1.142 11.339 1.00 0.00 C ATOM 1154 CG PRO A 71 6.042 -1.802 10.352 1.00 0.00 C ATOM 1155 CD PRO A 71 6.712 -0.704 9.583 1.00 0.00 C ATOM 0 HA PRO A 71 3.764 0.340 10.450 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.619 -1.049 12.311 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.229 -1.729 11.488 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.779 -2.425 10.859 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.479 -2.454 9.685 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.651 -0.401 10.047 1.00 0.00 H new ATOM 0 HD3 PRO A 71 6.944 -1.009 8.563 1.00 0.00 H new ATOM 1163 N ASP A 72 6.096 2.098 11.649 1.00 0.00 N ATOM 1164 CA ASP A 72 6.407 3.178 12.580 1.00 0.00 C ATOM 1165 C ASP A 72 6.178 4.545 11.937 1.00 0.00 C ATOM 1166 O ASP A 72 6.052 5.553 12.634 1.00 0.00 O ATOM 1167 CB ASP A 72 7.853 3.061 13.060 1.00 0.00 C ATOM 1168 CG ASP A 72 7.951 2.875 14.561 1.00 0.00 C ATOM 1169 OD1 ASP A 72 7.998 3.892 15.284 1.00 0.00 O ATOM 1170 OD2 ASP A 72 7.979 1.711 15.014 1.00 0.00 O ATOM 0 H ASP A 72 6.767 1.991 10.888 1.00 0.00 H new ATOM 0 HA ASP A 72 5.737 3.088 13.435 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.332 2.219 12.560 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.402 3.957 12.771 1.00 0.00 H new ATOM 1175 N GLY A 73 6.123 4.577 10.608 1.00 0.00 N ATOM 1176 CA GLY A 73 5.908 5.830 9.909 1.00 0.00 C ATOM 1177 C GLY A 73 7.009 6.140 8.913 1.00 0.00 C ATOM 1178 O GLY A 73 8.014 6.761 9.262 1.00 0.00 O ATOM 0 H GLY A 73 6.223 3.760 10.005 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.952 5.791 9.387 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.842 6.640 10.635 1.00 0.00 H new ATOM 1182 N SER A 74 6.819 5.707 7.670 1.00 0.00 N ATOM 1183 CA SER A 74 7.800 5.941 6.613 1.00 0.00 C ATOM 1184 C SER A 74 7.369 5.260 5.319 1.00 0.00 C ATOM 1185 O SER A 74 6.572 4.325 5.341 1.00 0.00 O ATOM 1186 CB SER A 74 9.179 5.426 7.036 1.00 0.00 C ATOM 1187 OG SER A 74 9.928 6.443 7.679 1.00 0.00 O ATOM 0 H SER A 74 5.993 5.191 7.369 1.00 0.00 H new ATOM 0 HA SER A 74 7.861 7.016 6.441 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.063 4.576 7.708 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.721 5.069 6.161 1.00 0.00 H new ATOM 0 HG SER A 74 9.322 7.030 8.178 1.00 0.00 H new ATOM 1193 N HIS A 75 7.896 5.736 4.195 1.00 0.00 N ATOM 1194 CA HIS A 75 7.561 5.169 2.892 1.00 0.00 C ATOM 1195 C HIS A 75 8.528 4.047 2.520 1.00 0.00 C ATOM 1196 O HIS A 75 9.743 4.196 2.656 1.00 0.00 O ATOM 1197 CB HIS A 75 7.593 6.260 1.819 1.00 0.00 C ATOM 1198 CG HIS A 75 6.961 5.853 0.525 1.00 0.00 C ATOM 1199 ND1 HIS A 75 7.376 6.305 -0.707 1.00 0.00 N ATOM 1200 CD2 HIS A 75 5.915 5.020 0.285 1.00 0.00 C ATOM 1201 CE1 HIS A 75 6.588 5.749 -1.638 1.00 0.00 C ATOM 1202 NE2 HIS A 75 5.685 4.960 -1.086 1.00 0.00 N ATOM 0 H HIS A 75 8.556 6.513 4.160 1.00 0.00 H new ATOM 0 HA HIS A 75 6.556 4.752 2.951 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.083 7.145 2.199 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.629 6.544 1.633 1.00 0.00 H new ATOM 0 HD1 HIS A 75 8.147 6.949 -0.881 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.352 4.489 1.038 1.00 0.00 H new ATOM 0 HE1 HIS A 75 6.680 5.924 -2.700 1.00 0.00 H new ATOM 1210 N ILE A 76 7.986 2.925 2.051 1.00 0.00 N ATOM 1211 CA ILE A 76 8.814 1.785 1.660 1.00 0.00 C ATOM 1212 C ILE A 76 8.567 1.404 0.200 1.00 0.00 C ATOM 1213 O ILE A 76 9.504 1.086 -0.532 1.00 0.00 O ATOM 1214 CB ILE A 76 8.565 0.563 2.577 1.00 0.00 C ATOM 1215 CG1 ILE A 76 9.186 0.805 3.953 1.00 0.00 C ATOM 1216 CG2 ILE A 76 9.128 -0.713 1.962 1.00 0.00 C ATOM 1217 CD1 ILE A 76 8.187 0.724 5.083 1.00 0.00 C ATOM 0 H ILE A 76 6.983 2.781 1.933 1.00 0.00 H new ATOM 0 HA ILE A 76 9.855 2.088 1.771 1.00 0.00 H new ATOM 0 HB ILE A 76 7.488 0.436 2.687 1.00 0.00 H new ATOM 0 HG12 ILE A 76 9.975 0.072 4.122 1.00 0.00 H new ATOM 0 HG13 ILE A 76 9.657 1.788 3.963 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.938 -1.553 2.629 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.647 -0.897 1.001 1.00 0.00 H new ATOM 0 HG23 ILE A 76 10.202 -0.603 1.815 1.00 0.00 H new ATOM 0 HD11 ILE A 76 8.694 0.905 6.031 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.411 1.475 4.937 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.734 -0.267 5.098 1.00 0.00 H new ATOM 1229 N GLY A 77 7.306 1.443 -0.220 1.00 0.00 N ATOM 1230 CA GLY A 77 6.975 1.108 -1.594 1.00 0.00 C ATOM 1231 C GLY A 77 5.911 0.033 -1.700 1.00 0.00 C ATOM 1232 O GLY A 77 5.174 -0.216 -0.748 1.00 0.00 O ATOM 0 H GLY A 77 6.510 1.700 0.364 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.630 2.005 -2.108 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.876 0.772 -2.108 1.00 0.00 H new ATOM 1236 N GLY A 78 5.824 -0.597 -2.869 1.00 0.00 N ATOM 1237 CA GLY A 78 4.835 -1.639 -3.082 1.00 0.00 C ATOM 1238 C GLY A 78 5.359 -3.024 -2.748 1.00 0.00 C ATOM 1239 O GLY A 78 6.061 -3.207 -1.753 1.00 0.00 O ATOM 0 H GLY A 78 6.422 -0.404 -3.673 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.957 -1.431 -2.471 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.511 -1.619 -4.123 1.00 0.00 H new ATOM 1243 N PHE A 79 5.015 -4.004 -3.581 1.00 0.00 N ATOM 1244 CA PHE A 79 5.450 -5.382 -3.370 1.00 0.00 C ATOM 1245 C PHE A 79 6.945 -5.536 -3.644 1.00 0.00 C ATOM 1246 O PHE A 79 7.735 -5.720 -2.720 1.00 0.00 O ATOM 1247 CB PHE A 79 4.649 -6.329 -4.267 1.00 0.00 C ATOM 1248 CG PHE A 79 5.102 -7.762 -4.205 1.00 0.00 C ATOM 1249 CD1 PHE A 79 5.070 -8.467 -3.011 1.00 0.00 C ATOM 1250 CD2 PHE A 79 5.553 -8.407 -5.347 1.00 0.00 C ATOM 1251 CE1 PHE A 79 5.480 -9.785 -2.959 1.00 0.00 C ATOM 1252 CE2 PHE A 79 5.965 -9.724 -5.299 1.00 0.00 C ATOM 1253 CZ PHE A 79 5.928 -10.414 -4.103 1.00 0.00 C ATOM 0 H PHE A 79 4.435 -3.869 -4.409 1.00 0.00 H new ATOM 0 HA PHE A 79 5.269 -5.639 -2.326 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.598 -6.279 -3.983 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.718 -5.981 -5.298 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.721 -7.980 -2.112 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.582 -7.873 -6.285 1.00 0.00 H new ATOM 0 HE1 PHE A 79 5.450 -10.323 -2.023 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.316 -10.214 -6.195 1.00 0.00 H new ATOM 0 HZ PHE A 79 6.249 -11.444 -4.063 1.00 0.00 H new ATOM 1263 N ASP A 80 7.327 -5.448 -4.916 1.00 0.00 N ATOM 1264 CA ASP A 80 8.731 -5.573 -5.300 1.00 0.00 C ATOM 1265 C ASP A 80 9.582 -4.567 -4.538 1.00 0.00 C ATOM 1266 O ASP A 80 10.592 -4.920 -3.923 1.00 0.00 O ATOM 1267 CB ASP A 80 8.891 -5.360 -6.807 1.00 0.00 C ATOM 1268 CG ASP A 80 10.324 -5.544 -7.267 1.00 0.00 C ATOM 1269 OD1 ASP A 80 10.759 -6.708 -7.403 1.00 0.00 O ATOM 1270 OD2 ASP A 80 11.012 -4.526 -7.491 1.00 0.00 O ATOM 0 H ASP A 80 6.687 -5.291 -5.695 1.00 0.00 H new ATOM 0 HA ASP A 80 9.069 -6.578 -5.049 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.248 -6.060 -7.341 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.555 -4.356 -7.067 1.00 0.00 H new ATOM 1275 N GLN A 81 9.158 -3.309 -4.572 1.00 0.00 N ATOM 1276 CA GLN A 81 9.866 -2.244 -3.877 1.00 0.00 C ATOM 1277 C GLN A 81 10.115 -2.636 -2.428 1.00 0.00 C ATOM 1278 O GLN A 81 11.207 -2.438 -1.895 1.00 0.00 O ATOM 1279 CB GLN A 81 9.058 -0.950 -3.932 1.00 0.00 C ATOM 1280 CG GLN A 81 9.429 -0.047 -5.093 1.00 0.00 C ATOM 1281 CD GLN A 81 9.250 -0.723 -6.438 1.00 0.00 C ATOM 1282 OE1 GLN A 81 8.159 -0.714 -7.011 1.00 0.00 O ATOM 1283 NE2 GLN A 81 10.322 -1.315 -6.951 1.00 0.00 N ATOM 0 H GLN A 81 8.325 -3.003 -5.075 1.00 0.00 H new ATOM 0 HA GLN A 81 10.825 -2.085 -4.371 1.00 0.00 H new ATOM 0 HB2 GLN A 81 7.998 -1.197 -3.999 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.199 -0.404 -2.999 1.00 0.00 H new ATOM 0 HG2 GLN A 81 8.816 0.853 -5.059 1.00 0.00 H new ATOM 0 HG3 GLN A 81 10.466 0.270 -4.985 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.206 -1.298 -6.443 1.00 0.00 H new ATOM 0 HE22 GLN A 81 10.261 -1.786 -7.854 1.00 0.00 H new ATOM 1292 N LEU A 82 9.091 -3.202 -1.799 1.00 0.00 N ATOM 1293 CA LEU A 82 9.198 -3.629 -0.414 1.00 0.00 C ATOM 1294 C LEU A 82 9.960 -4.943 -0.297 1.00 0.00 C ATOM 1295 O LEU A 82 10.623 -5.190 0.707 1.00 0.00 O ATOM 1296 CB LEU A 82 7.831 -3.770 0.232 1.00 0.00 C ATOM 1297 CG LEU A 82 7.903 -4.081 1.720 1.00 0.00 C ATOM 1298 CD1 LEU A 82 6.877 -3.286 2.500 1.00 0.00 C ATOM 1299 CD2 LEU A 82 7.728 -5.565 1.952 1.00 0.00 C ATOM 0 H LEU A 82 8.181 -3.374 -2.227 1.00 0.00 H new ATOM 0 HA LEU A 82 9.753 -2.854 0.114 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.270 -2.847 0.087 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.277 -4.562 -0.272 1.00 0.00 H new ATOM 0 HG LEU A 82 8.888 -3.786 2.082 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.955 -3.531 3.559 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.059 -2.220 2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.877 -3.533 2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.781 -5.775 3.020 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.758 -5.881 1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.518 -6.110 1.435 1.00 0.00 H new ATOM 1311 N ARG A 83 9.889 -5.780 -1.331 1.00 0.00 N ATOM 1312 CA ARG A 83 10.609 -7.050 -1.315 1.00 0.00 C ATOM 1313 C ARG A 83 12.070 -6.789 -0.980 1.00 0.00 C ATOM 1314 O ARG A 83 12.733 -7.609 -0.346 1.00 0.00 O ATOM 1315 CB ARG A 83 10.488 -7.761 -2.666 1.00 0.00 C ATOM 1316 CG ARG A 83 9.418 -8.840 -2.689 1.00 0.00 C ATOM 1317 CD ARG A 83 9.797 -9.982 -3.618 1.00 0.00 C ATOM 1318 NE ARG A 83 9.415 -11.282 -3.072 1.00 0.00 N ATOM 1319 CZ ARG A 83 9.879 -12.443 -3.527 1.00 0.00 C ATOM 1320 NH1 ARG A 83 10.740 -12.471 -4.537 1.00 0.00 N ATOM 1321 NH2 ARG A 83 9.482 -13.580 -2.973 1.00 0.00 N ATOM 0 H ARG A 83 9.348 -5.605 -2.178 1.00 0.00 H new ATOM 0 HA ARG A 83 10.172 -7.700 -0.557 1.00 0.00 H new ATOM 0 HB2 ARG A 83 10.266 -7.023 -3.437 1.00 0.00 H new ATOM 0 HB3 ARG A 83 11.449 -8.208 -2.920 1.00 0.00 H new ATOM 0 HG2 ARG A 83 9.267 -9.225 -1.681 1.00 0.00 H new ATOM 0 HG3 ARG A 83 8.471 -8.407 -3.011 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.314 -9.839 -4.584 1.00 0.00 H new ATOM 0 HD3 ARG A 83 10.873 -9.965 -3.794 1.00 0.00 H new ATOM 0 HE ARG A 83 8.753 -11.301 -2.296 1.00 0.00 H new ATOM 0 HH11 ARG A 83 11.049 -11.600 -4.968 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.093 -13.364 -4.882 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.820 -13.565 -2.197 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.838 -14.469 -3.323 1.00 0.00 H new ATOM 1335 N GLU A 84 12.553 -5.615 -1.385 1.00 0.00 N ATOM 1336 CA GLU A 84 13.920 -5.218 -1.094 1.00 0.00 C ATOM 1337 C GLU A 84 14.060 -5.000 0.406 1.00 0.00 C ATOM 1338 O GLU A 84 15.089 -5.320 1.003 1.00 0.00 O ATOM 1339 CB GLU A 84 14.288 -3.942 -1.854 1.00 0.00 C ATOM 1340 CG GLU A 84 15.778 -3.793 -2.111 1.00 0.00 C ATOM 1341 CD GLU A 84 16.269 -4.692 -3.229 1.00 0.00 C ATOM 1342 OE1 GLU A 84 15.973 -4.393 -4.406 1.00 0.00 O ATOM 1343 OE2 GLU A 84 16.949 -5.696 -2.928 1.00 0.00 O ATOM 0 H GLU A 84 12.016 -4.928 -1.914 1.00 0.00 H new ATOM 0 HA GLU A 84 14.601 -6.006 -1.417 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.761 -3.933 -2.808 1.00 0.00 H new ATOM 0 HB3 GLU A 84 13.938 -3.079 -1.288 1.00 0.00 H new ATOM 0 HG2 GLU A 84 15.998 -2.755 -2.361 1.00 0.00 H new ATOM 0 HG3 GLU A 84 16.326 -4.024 -1.197 1.00 0.00 H new ATOM 1350 N TYR A 85 12.993 -4.481 1.012 1.00 0.00 N ATOM 1351 CA TYR A 85 12.957 -4.248 2.446 1.00 0.00 C ATOM 1352 C TYR A 85 13.111 -5.579 3.173 1.00 0.00 C ATOM 1353 O TYR A 85 13.734 -5.662 4.231 1.00 0.00 O ATOM 1354 CB TYR A 85 11.627 -3.587 2.821 1.00 0.00 C ATOM 1355 CG TYR A 85 11.580 -3.020 4.222 1.00 0.00 C ATOM 1356 CD1 TYR A 85 11.250 -3.823 5.306 1.00 0.00 C ATOM 1357 CD2 TYR A 85 11.858 -1.680 4.457 1.00 0.00 C ATOM 1358 CE1 TYR A 85 11.199 -3.306 6.586 1.00 0.00 C ATOM 1359 CE2 TYR A 85 11.810 -1.156 5.733 1.00 0.00 C ATOM 1360 CZ TYR A 85 11.480 -1.972 6.795 1.00 0.00 C ATOM 1361 OH TYR A 85 11.432 -1.452 8.069 1.00 0.00 O ATOM 0 H TYR A 85 12.138 -4.214 0.523 1.00 0.00 H new ATOM 0 HA TYR A 85 13.773 -3.587 2.737 1.00 0.00 H new ATOM 0 HB2 TYR A 85 11.422 -2.785 2.111 1.00 0.00 H new ATOM 0 HB3 TYR A 85 10.828 -4.321 2.713 1.00 0.00 H new ATOM 0 HD1 TYR A 85 11.030 -4.868 5.146 1.00 0.00 H new ATOM 0 HD2 TYR A 85 12.116 -1.038 3.628 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.940 -3.943 7.419 1.00 0.00 H new ATOM 0 HE2 TYR A 85 12.030 -0.112 5.899 1.00 0.00 H new ATOM 0 HH TYR A 85 11.657 -0.499 8.042 1.00 0.00 H new ATOM 1371 N PHE A 86 12.543 -6.623 2.571 1.00 0.00 N ATOM 1372 CA PHE A 86 12.597 -7.973 3.120 1.00 0.00 C ATOM 1373 C PHE A 86 13.858 -8.705 2.667 1.00 0.00 C ATOM 1374 O PHE A 86 14.350 -9.597 3.359 1.00 0.00 O ATOM 1375 CB PHE A 86 11.353 -8.752 2.679 1.00 0.00 C ATOM 1376 CG PHE A 86 10.134 -8.455 3.504 1.00 0.00 C ATOM 1377 CD1 PHE A 86 10.221 -8.345 4.884 1.00 0.00 C ATOM 1378 CD2 PHE A 86 8.905 -8.268 2.899 1.00 0.00 C ATOM 1379 CE1 PHE A 86 9.104 -8.051 5.639 1.00 0.00 C ATOM 1380 CE2 PHE A 86 7.785 -7.979 3.650 1.00 0.00 C ATOM 1381 CZ PHE A 86 7.884 -7.868 5.021 1.00 0.00 C ATOM 0 H PHE A 86 12.033 -6.555 1.690 1.00 0.00 H new ATOM 0 HA PHE A 86 12.623 -7.903 4.207 1.00 0.00 H new ATOM 0 HB2 PHE A 86 11.140 -8.520 1.635 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.566 -9.820 2.731 1.00 0.00 H new ATOM 0 HD1 PHE A 86 11.173 -8.491 5.373 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.821 -8.349 1.825 1.00 0.00 H new ATOM 0 HE1 PHE A 86 9.185 -7.964 6.712 1.00 0.00 H new ATOM 0 HE2 PHE A 86 6.830 -7.840 3.164 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.008 -7.638 5.610 1.00 0.00 H new ATOM 1391 N LYS A 87 14.374 -8.326 1.502 1.00 0.00 N ATOM 1392 CA LYS A 87 15.575 -8.950 0.958 1.00 0.00 C ATOM 1393 C LYS A 87 15.343 -10.432 0.686 1.00 0.00 C ATOM 1394 O LYS A 87 14.224 -10.915 0.960 1.00 0.00 O ATOM 1395 CB LYS A 87 16.751 -8.772 1.920 1.00 0.00 C ATOM 1396 CG LYS A 87 17.001 -7.328 2.319 1.00 0.00 C ATOM 1397 CD LYS A 87 17.883 -7.236 3.552 1.00 0.00 C ATOM 1398 CE LYS A 87 18.368 -5.815 3.786 1.00 0.00 C ATOM 1399 NZ LYS A 87 18.845 -5.614 5.181 1.00 0.00 N ATOM 1400 OXT LYS A 87 16.282 -11.098 0.202 1.00 0.00 O ATOM 0 H LYS A 87 13.979 -7.590 0.917 1.00 0.00 H new ATOM 0 HA LYS A 87 15.812 -8.459 0.014 1.00 0.00 H new ATOM 0 HB2 LYS A 87 16.566 -9.361 2.818 1.00 0.00 H new ATOM 0 HB3 LYS A 87 17.652 -9.173 1.456 1.00 0.00 H new ATOM 0 HG2 LYS A 87 17.473 -6.798 1.492 1.00 0.00 H new ATOM 0 HG3 LYS A 87 16.049 -6.833 2.513 1.00 0.00 H new ATOM 0 HD2 LYS A 87 17.327 -7.580 4.424 1.00 0.00 H new ATOM 0 HD3 LYS A 87 18.740 -7.900 3.438 1.00 0.00 H new ATOM 0 HE2 LYS A 87 19.175 -5.588 3.090 1.00 0.00 H new ATOM 0 HE3 LYS A 87 17.559 -5.116 3.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 19.167 -4.632 5.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 18.068 -5.806 5.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 19.634 -6.263 5.375 1.00 0.00 H new