USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 660 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 47 LYS NZ :NH3+ -146:sc= -12.9! (180deg=-13.8!) USER MOD Set 1.2: A 51 TYR OH : rot -131:sc= -1.31 USER MOD Set 2.1: A 27 LYS NZ :NH3+ 142:sc= -2.75 (180deg=-0.391) USER MOD Set 2.2: A 84 MET CE :methyl 173:sc= -9.92! (180deg=-7.69!) USER MOD Set 3.1: A 9 THR OG1 : rot -140:sc= -2.82! USER MOD Set 3.2: A 16 CYS SG : rot 1:sc= -1.39 USER MOD Set 4.1: A 10 SER OG : rot -111:sc= 1.85 USER MOD Set 4.2: A 12 THR OG1 : rot -82:sc= 0.194 USER MOD Set 4.3: A 13 CYS SG : rot 62:sc= 1.43 USER MOD Single : A 1 MET CE :methyl 159:sc= -5.95! (180deg=-7.96!) USER MOD Single : A 1 MET N :NH3+ 175:sc= 0 (180deg=-0.025) USER MOD Single : A 4 ASN : amide:sc= -14.9! C(o=-15!,f=-13!) USER MOD Single : A 15 TYR OH : rot 180:sc= -0.889 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 173:sc= 1.22 (180deg=1.02) USER MOD Single : A 42 MET CE :methyl -139:sc= -0.0963 (180deg=-0.299) USER MOD Single : A 54 MET CE :methyl 150:sc= -0.043 (180deg=-0.865) USER MOD Single : A 62 ASN : amide:sc= -14.6! C(o=-15!,f=-28!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -3.78! C(o=-3.8!,f=-9.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.827 -3.217 9.793 1.00 0.00 N ATOM 2 CA MET A 1 -10.977 -2.471 8.510 1.00 0.00 C ATOM 3 C MET A 1 -11.148 -3.450 7.346 1.00 0.00 C ATOM 4 O MET A 1 -10.694 -4.576 7.398 1.00 0.00 O ATOM 5 CB MET A 1 -9.678 -1.678 8.359 1.00 0.00 C ATOM 6 CG MET A 1 -8.730 -2.425 7.419 1.00 0.00 C ATOM 7 SD MET A 1 -7.019 -2.147 7.941 1.00 0.00 S ATOM 8 CE MET A 1 -7.243 -2.567 9.687 1.00 0.00 C ATOM 0 H1 MET A 1 -10.627 -2.547 10.563 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.707 -3.731 10.001 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.042 -3.894 9.711 1.00 0.00 H new ATOM 0 HA MET A 1 -11.853 -1.822 8.509 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.890 -0.684 7.964 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.208 -1.541 9.333 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.956 -3.491 7.429 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.870 -2.080 6.395 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.279 -2.826 10.125 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.664 -1.712 10.216 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.921 -3.416 9.773 1.00 0.00 H new ATOM 20 N VAL A 2 -11.798 -3.029 6.296 1.00 0.00 N ATOM 21 CA VAL A 2 -11.993 -3.933 5.133 1.00 0.00 C ATOM 22 C VAL A 2 -10.839 -3.791 4.143 1.00 0.00 C ATOM 23 O VAL A 2 -9.845 -4.486 4.219 1.00 0.00 O ATOM 24 CB VAL A 2 -13.288 -3.470 4.466 1.00 0.00 C ATOM 25 CG1 VAL A 2 -13.383 -1.945 4.543 1.00 0.00 C ATOM 26 CG2 VAL A 2 -13.280 -3.908 3.000 1.00 0.00 C ATOM 0 H VAL A 2 -12.202 -2.098 6.195 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.034 -4.976 5.447 1.00 0.00 H new ATOM 0 HB VAL A 2 -14.144 -3.911 4.977 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -14.306 -1.613 4.068 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -13.380 -1.633 5.587 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -12.531 -1.501 4.029 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.201 -3.581 2.518 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -12.426 -3.461 2.491 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -13.207 -4.994 2.945 1.00 0.00 H new ATOM 36 N VAL A 3 -10.994 -2.901 3.190 1.00 0.00 N ATOM 37 CA VAL A 3 -9.919 -2.700 2.198 1.00 0.00 C ATOM 38 C VAL A 3 -8.966 -1.632 2.743 1.00 0.00 C ATOM 39 O VAL A 3 -9.272 -0.434 2.643 1.00 0.00 O ATOM 40 CB VAL A 3 -10.683 -2.252 0.950 1.00 0.00 C ATOM 41 CG1 VAL A 3 -9.702 -1.827 -0.141 1.00 0.00 C ATOM 42 CG2 VAL A 3 -11.537 -3.418 0.447 1.00 0.00 C ATOM 0 H VAL A 3 -11.819 -2.314 3.066 1.00 0.00 H new ATOM 0 HA VAL A 3 -9.301 -3.572 1.981 1.00 0.00 H new ATOM 0 HB VAL A 3 -11.321 -1.404 1.199 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.256 -1.510 -1.025 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.092 -1.000 0.221 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.058 -2.668 -0.399 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -12.086 -3.110 -0.443 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.892 -4.262 0.201 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -12.242 -3.714 1.224 1.00 0.00 H new ATOM 52 N ASN A 4 -7.701 -1.990 2.954 1.00 0.00 N ATOM 53 CA ASN A 4 -6.799 -0.864 3.377 1.00 0.00 C ATOM 54 C ASN A 4 -5.441 -1.159 2.696 1.00 0.00 C ATOM 55 O ASN A 4 -4.694 -2.028 2.877 1.00 0.00 O ATOM 56 CB ASN A 4 -6.526 -1.237 4.919 1.00 0.00 C ATOM 57 CG ASN A 4 -7.453 -0.387 5.781 1.00 0.00 C ATOM 58 OD1 ASN A 4 -7.040 0.179 6.772 1.00 0.00 O ATOM 59 ND2 ASN A 4 -8.705 -0.264 5.433 1.00 0.00 N ATOM 0 H ASN A 4 -7.292 -2.920 2.862 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.181 0.137 3.175 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.710 -2.297 5.093 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.484 -1.047 5.178 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -9.336 0.308 5.994 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -9.052 -0.740 4.600 1.00 0.00 H new ATOM 66 N ILE A 5 -5.245 -0.315 1.690 1.00 0.00 N ATOM 67 CA ILE A 5 -4.058 -0.270 0.844 1.00 0.00 C ATOM 68 C ILE A 5 -3.211 0.955 1.018 1.00 0.00 C ATOM 69 O ILE A 5 -3.822 2.041 0.819 1.00 0.00 O ATOM 70 CB ILE A 5 -4.496 -0.609 -0.556 1.00 0.00 C ATOM 71 CG1 ILE A 5 -5.945 -1.094 -0.505 1.00 0.00 C ATOM 72 CG2 ILE A 5 -3.616 -1.711 -1.172 1.00 0.00 C ATOM 73 CD1 ILE A 5 -6.376 -1.552 -1.899 1.00 0.00 C ATOM 0 H ILE A 5 -5.938 0.387 1.430 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.334 -1.022 1.157 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.402 0.282 -1.177 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.041 -1.915 0.205 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.596 -0.293 -0.156 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.961 -1.930 -2.182 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.581 -1.372 -1.208 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -3.682 -2.612 -0.563 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.409 -1.898 -1.865 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.295 -0.719 -2.597 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.731 -2.366 -2.230 1.00 0.00 H new ATOM 85 N GLU A 6 -1.920 0.919 1.157 1.00 0.00 N ATOM 86 CA GLU A 6 -1.330 2.280 1.124 1.00 0.00 C ATOM 87 C GLU A 6 -0.107 2.138 0.225 1.00 0.00 C ATOM 88 O GLU A 6 0.932 1.566 0.388 1.00 0.00 O ATOM 89 CB GLU A 6 -0.681 2.276 2.645 1.00 0.00 C ATOM 90 CG GLU A 6 -0.402 3.718 3.065 1.00 0.00 C ATOM 91 CD GLU A 6 0.500 4.384 2.024 1.00 0.00 C ATOM 92 OE1 GLU A 6 -0.004 4.732 0.969 1.00 0.00 O ATOM 93 OE2 GLU A 6 1.679 4.532 2.299 1.00 0.00 O ATOM 0 H GLU A 6 -1.307 0.113 1.278 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.980 3.106 0.837 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.368 1.805 3.347 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.240 1.693 2.661 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.338 4.269 3.158 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.077 3.737 4.044 1.00 0.00 H new ATOM 100 N VAL A 7 -0.161 3.083 -0.788 1.00 0.00 N ATOM 101 CA VAL A 7 0.903 3.023 -1.813 1.00 0.00 C ATOM 102 C VAL A 7 1.770 4.224 -1.522 1.00 0.00 C ATOM 103 O VAL A 7 1.426 5.095 -0.752 1.00 0.00 O ATOM 104 CB VAL A 7 0.159 3.331 -3.178 1.00 0.00 C ATOM 105 CG1 VAL A 7 -0.734 2.159 -3.571 1.00 0.00 C ATOM 106 CG2 VAL A 7 -0.713 4.599 -3.045 1.00 0.00 C ATOM 0 H VAL A 7 -0.862 3.816 -0.897 1.00 0.00 H new ATOM 0 HA VAL A 7 1.461 2.087 -1.835 1.00 0.00 H new ATOM 0 HB VAL A 7 0.917 3.489 -3.946 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.239 2.385 -4.510 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.126 1.263 -3.692 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.477 1.990 -2.792 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.216 4.795 -3.992 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.457 4.449 -2.263 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.082 5.449 -2.787 1.00 0.00 H new ATOM 116 N PHE A 8 3.005 4.162 -1.945 1.00 0.00 N ATOM 117 CA PHE A 8 3.982 5.217 -1.571 1.00 0.00 C ATOM 118 C PHE A 8 5.094 5.326 -2.608 1.00 0.00 C ATOM 119 O PHE A 8 6.194 4.815 -2.334 1.00 0.00 O ATOM 120 CB PHE A 8 4.455 4.842 -0.182 1.00 0.00 C ATOM 121 CG PHE A 8 5.862 5.335 0.044 1.00 0.00 C ATOM 122 CD1 PHE A 8 6.088 6.650 0.464 1.00 0.00 C ATOM 123 CD2 PHE A 8 6.945 4.469 -0.153 1.00 0.00 C ATOM 124 CE1 PHE A 8 7.394 7.100 0.685 1.00 0.00 C ATOM 125 CE2 PHE A 8 8.252 4.919 0.072 1.00 0.00 C ATOM 126 CZ PHE A 8 8.475 6.235 0.491 1.00 0.00 C ATOM 0 H PHE A 8 3.378 3.420 -2.537 1.00 0.00 H new ATOM 0 HA PHE A 8 3.548 6.217 -1.554 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.788 5.272 0.565 1.00 0.00 H new ATOM 0 HB3 PHE A 8 4.417 3.760 -0.058 1.00 0.00 H new ATOM 0 HD1 PHE A 8 5.254 7.318 0.618 1.00 0.00 H new ATOM 0 HD2 PHE A 8 6.772 3.454 -0.479 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.567 8.117 1.006 1.00 0.00 H new ATOM 0 HE2 PHE A 8 9.087 4.251 -0.078 1.00 0.00 H new ATOM 0 HZ PHE A 8 9.483 6.583 0.665 1.00 0.00 H new ATOM 136 N THR A 9 4.886 5.897 -3.722 1.00 0.00 N ATOM 137 CA THR A 9 5.973 5.985 -4.741 1.00 0.00 C ATOM 138 C THR A 9 6.281 7.455 -5.021 1.00 0.00 C ATOM 139 O THR A 9 7.318 7.963 -4.644 1.00 0.00 O ATOM 140 CB THR A 9 5.409 5.303 -5.988 1.00 0.00 C ATOM 141 OG1 THR A 9 4.690 4.139 -5.604 1.00 0.00 O ATOM 142 CG2 THR A 9 6.556 4.912 -6.921 1.00 0.00 C ATOM 0 H THR A 9 4.001 6.322 -3.998 1.00 0.00 H new ATOM 0 HA THR A 9 6.899 5.512 -4.414 1.00 0.00 H new ATOM 0 HB THR A 9 4.740 5.989 -6.507 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.870 3.418 -6.243 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.153 4.426 -7.809 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.107 5.806 -7.215 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.227 4.225 -6.405 1.00 0.00 H new ATOM 150 N SER A 10 5.383 8.150 -5.665 1.00 0.00 N ATOM 151 CA SER A 10 5.635 9.591 -5.944 1.00 0.00 C ATOM 152 C SER A 10 4.465 10.212 -6.713 1.00 0.00 C ATOM 153 O SER A 10 3.628 9.512 -7.248 1.00 0.00 O ATOM 154 CB SER A 10 6.909 9.617 -6.787 1.00 0.00 C ATOM 155 OG SER A 10 6.560 9.658 -8.164 1.00 0.00 O ATOM 0 H SER A 10 4.494 7.786 -6.007 1.00 0.00 H new ATOM 0 HA SER A 10 5.740 10.169 -5.026 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.513 10.486 -6.527 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.514 8.735 -6.579 1.00 0.00 H new ATOM 0 HG SER A 10 6.805 8.810 -8.589 1.00 0.00 H new ATOM 161 N PRO A 11 4.452 11.519 -6.735 1.00 0.00 N ATOM 162 CA PRO A 11 3.382 12.264 -7.437 1.00 0.00 C ATOM 163 C PRO A 11 3.662 12.315 -8.941 1.00 0.00 C ATOM 164 O PRO A 11 2.758 12.402 -9.748 1.00 0.00 O ATOM 165 CB PRO A 11 3.463 13.659 -6.827 1.00 0.00 C ATOM 166 CG PRO A 11 4.873 13.801 -6.339 1.00 0.00 C ATOM 167 CD PRO A 11 5.428 12.415 -6.110 1.00 0.00 C ATOM 0 HA PRO A 11 2.399 11.807 -7.326 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.224 14.425 -7.565 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.751 13.772 -6.009 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.477 14.338 -7.070 1.00 0.00 H new ATOM 0 HG3 PRO A 11 4.901 14.380 -5.416 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.414 12.303 -6.561 1.00 0.00 H new ATOM 0 HD3 PRO A 11 5.537 12.202 -5.047 1.00 0.00 H new ATOM 175 N THR A 12 4.908 12.265 -9.323 1.00 0.00 N ATOM 176 CA THR A 12 5.244 12.310 -10.775 1.00 0.00 C ATOM 177 C THR A 12 5.022 10.933 -11.399 1.00 0.00 C ATOM 178 O THR A 12 4.905 10.792 -12.600 1.00 0.00 O ATOM 179 CB THR A 12 6.723 12.695 -10.829 1.00 0.00 C ATOM 180 OG1 THR A 12 7.286 12.589 -9.529 1.00 0.00 O ATOM 181 CG2 THR A 12 6.860 14.134 -11.331 1.00 0.00 C ATOM 0 H THR A 12 5.708 12.195 -8.694 1.00 0.00 H new ATOM 0 HA THR A 12 4.624 13.017 -11.326 1.00 0.00 H new ATOM 0 HB THR A 12 7.249 12.024 -11.509 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.082 13.400 -9.017 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.915 14.407 -11.369 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.428 14.214 -12.329 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.335 14.807 -10.653 1.00 0.00 H new ATOM 189 N CYS A 13 4.958 9.916 -10.586 1.00 0.00 N ATOM 190 CA CYS A 13 4.735 8.544 -11.119 1.00 0.00 C ATOM 191 C CYS A 13 3.516 7.919 -10.438 1.00 0.00 C ATOM 192 O CYS A 13 2.947 8.498 -9.535 1.00 0.00 O ATOM 193 CB CYS A 13 6.005 7.768 -10.768 1.00 0.00 C ATOM 194 SG CYS A 13 7.417 8.901 -10.744 1.00 0.00 S ATOM 0 H CYS A 13 5.051 9.976 -9.572 1.00 0.00 H new ATOM 0 HA CYS A 13 4.544 8.538 -12.192 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.894 7.288 -9.796 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.173 6.976 -11.497 1.00 0.00 H new ATOM 0 HG CYS A 13 7.236 9.800 -9.823 1.00 0.00 H new ATOM 200 N PRO A 14 3.154 6.755 -10.898 1.00 0.00 N ATOM 201 CA PRO A 14 1.993 6.043 -10.327 1.00 0.00 C ATOM 202 C PRO A 14 2.408 5.271 -9.071 1.00 0.00 C ATOM 203 O PRO A 14 3.184 4.338 -9.136 1.00 0.00 O ATOM 204 CB PRO A 14 1.589 5.083 -11.439 1.00 0.00 C ATOM 205 CG PRO A 14 2.833 4.854 -12.247 1.00 0.00 C ATOM 206 CD PRO A 14 3.782 6.002 -11.985 1.00 0.00 C ATOM 0 HA PRO A 14 1.185 6.709 -10.024 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.210 4.147 -11.030 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.795 5.507 -12.054 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.297 3.907 -11.972 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.592 4.794 -13.308 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.771 5.643 -11.700 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.912 6.620 -12.873 1.00 0.00 H new ATOM 214 N TYR A 15 1.895 5.646 -7.931 1.00 0.00 N ATOM 215 CA TYR A 15 2.262 4.923 -6.681 1.00 0.00 C ATOM 216 C TYR A 15 2.105 3.412 -6.900 1.00 0.00 C ATOM 217 O TYR A 15 2.826 2.810 -7.671 1.00 0.00 O ATOM 218 CB TYR A 15 1.268 5.420 -5.630 1.00 0.00 C ATOM 219 CG TYR A 15 1.107 6.916 -5.755 1.00 0.00 C ATOM 220 CD1 TYR A 15 2.171 7.764 -5.423 1.00 0.00 C ATOM 221 CD2 TYR A 15 -0.104 7.455 -6.204 1.00 0.00 C ATOM 222 CE1 TYR A 15 2.022 9.151 -5.541 1.00 0.00 C ATOM 223 CE2 TYR A 15 -0.253 8.841 -6.320 1.00 0.00 C ATOM 224 CZ TYR A 15 0.810 9.690 -5.989 1.00 0.00 C ATOM 225 OH TYR A 15 0.663 11.057 -6.103 1.00 0.00 O ATOM 0 H TYR A 15 1.240 6.419 -7.811 1.00 0.00 H new ATOM 0 HA TYR A 15 3.293 5.103 -6.377 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.305 4.928 -5.764 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.621 5.164 -4.631 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.106 7.348 -5.076 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.924 6.801 -6.461 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.842 9.806 -5.286 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.188 9.256 -6.665 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.238 11.263 -6.428 1.00 0.00 H new ATOM 235 N CYS A 16 1.162 2.797 -6.237 1.00 0.00 N ATOM 236 CA CYS A 16 0.952 1.329 -6.418 1.00 0.00 C ATOM 237 C CYS A 16 -0.525 0.972 -6.199 1.00 0.00 C ATOM 238 O CYS A 16 -0.837 -0.059 -5.637 1.00 0.00 O ATOM 239 CB CYS A 16 1.821 0.672 -5.349 1.00 0.00 C ATOM 240 SG CYS A 16 3.568 0.922 -5.752 1.00 0.00 S ATOM 0 H CYS A 16 0.527 3.247 -5.577 1.00 0.00 H new ATOM 0 HA CYS A 16 1.215 0.996 -7.422 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.598 1.099 -4.371 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.600 -0.394 -5.290 1.00 0.00 H new ATOM 0 HG CYS A 16 3.666 1.627 -6.840 1.00 0.00 H new ATOM 246 N PRO A 17 -1.387 1.848 -6.646 1.00 0.00 N ATOM 247 CA PRO A 17 -2.849 1.634 -6.490 1.00 0.00 C ATOM 248 C PRO A 17 -3.365 0.603 -7.500 1.00 0.00 C ATOM 249 O PRO A 17 -4.549 0.517 -7.759 1.00 0.00 O ATOM 250 CB PRO A 17 -3.443 3.005 -6.794 1.00 0.00 C ATOM 251 CG PRO A 17 -2.437 3.677 -7.675 1.00 0.00 C ATOM 252 CD PRO A 17 -1.085 3.111 -7.328 1.00 0.00 C ATOM 0 HA PRO A 17 -3.113 1.254 -5.503 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.408 2.915 -7.294 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.610 3.574 -5.880 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.669 3.501 -8.726 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.452 4.756 -7.521 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.481 2.947 -8.220 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.524 3.787 -6.683 1.00 0.00 H new ATOM 260 N MET A 18 -2.493 -0.172 -8.082 1.00 0.00 N ATOM 261 CA MET A 18 -2.949 -1.181 -9.083 1.00 0.00 C ATOM 262 C MET A 18 -3.152 -2.543 -8.420 1.00 0.00 C ATOM 263 O MET A 18 -4.261 -3.030 -8.306 1.00 0.00 O ATOM 264 CB MET A 18 -1.819 -1.252 -10.110 1.00 0.00 C ATOM 265 CG MET A 18 -1.733 -2.669 -10.678 1.00 0.00 C ATOM 266 SD MET A 18 -1.307 -2.590 -12.435 1.00 0.00 S ATOM 267 CE MET A 18 -2.756 -3.476 -13.060 1.00 0.00 C ATOM 0 H MET A 18 -1.488 -0.152 -7.910 1.00 0.00 H new ATOM 0 HA MET A 18 -3.902 -0.907 -9.535 1.00 0.00 H new ATOM 0 HB2 MET A 18 -1.998 -0.537 -10.913 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.872 -0.978 -9.644 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.982 -3.244 -10.136 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.685 -3.183 -10.546 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.699 -3.545 -14.146 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.781 -4.479 -12.633 1.00 0.00 H new ATOM 0 HE3 MET A 18 -3.661 -2.938 -12.777 1.00 0.00 H new ATOM 277 N ALA A 19 -2.090 -3.165 -7.987 1.00 0.00 N ATOM 278 CA ALA A 19 -2.237 -4.499 -7.345 1.00 0.00 C ATOM 279 C ALA A 19 -3.222 -4.406 -6.183 1.00 0.00 C ATOM 280 O ALA A 19 -3.810 -5.388 -5.771 1.00 0.00 O ATOM 281 CB ALA A 19 -0.838 -4.824 -6.815 1.00 0.00 C ATOM 0 H ALA A 19 -1.136 -2.810 -8.049 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.611 -5.257 -8.033 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.852 -5.796 -6.323 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.131 -4.847 -7.644 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.533 -4.060 -6.100 1.00 0.00 H new ATOM 287 N ILE A 20 -3.430 -3.222 -5.678 1.00 0.00 N ATOM 288 CA ILE A 20 -4.395 -3.059 -4.558 1.00 0.00 C ATOM 289 C ILE A 20 -5.818 -3.234 -5.073 1.00 0.00 C ATOM 290 O ILE A 20 -6.649 -3.847 -4.437 1.00 0.00 O ATOM 291 CB ILE A 20 -4.183 -1.626 -4.060 1.00 0.00 C ATOM 292 CG1 ILE A 20 -4.911 -0.650 -4.987 1.00 0.00 C ATOM 293 CG2 ILE A 20 -2.688 -1.302 -4.053 1.00 0.00 C ATOM 294 CD1 ILE A 20 -5.068 0.701 -4.286 1.00 0.00 C ATOM 0 H ILE A 20 -2.975 -2.364 -5.991 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.243 -3.793 -3.767 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.579 -1.532 -3.049 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.352 -0.527 -5.914 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.890 -1.048 -5.255 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.538 -0.282 -3.699 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.168 -1.996 -3.392 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.290 -1.397 -5.063 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.587 1.396 -4.947 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.646 0.571 -3.371 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.084 1.100 -4.040 1.00 0.00 H new ATOM 306 N GLU A 21 -6.095 -2.734 -6.243 1.00 0.00 N ATOM 307 CA GLU A 21 -7.449 -2.905 -6.824 1.00 0.00 C ATOM 308 C GLU A 21 -7.843 -4.371 -6.692 1.00 0.00 C ATOM 309 O GLU A 21 -8.995 -4.714 -6.524 1.00 0.00 O ATOM 310 CB GLU A 21 -7.330 -2.473 -8.278 1.00 0.00 C ATOM 311 CG GLU A 21 -8.643 -2.764 -9.008 1.00 0.00 C ATOM 312 CD GLU A 21 -8.876 -1.700 -10.082 1.00 0.00 C ATOM 313 OE1 GLU A 21 -8.589 -0.544 -9.815 1.00 0.00 O ATOM 314 OE2 GLU A 21 -9.339 -2.058 -11.153 1.00 0.00 O ATOM 0 H GLU A 21 -5.437 -2.212 -6.823 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.217 -2.315 -6.324 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.099 -1.409 -8.334 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.509 -3.004 -8.760 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.607 -3.754 -9.463 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.472 -2.769 -8.300 1.00 0.00 H new ATOM 321 N VAL A 22 -6.877 -5.244 -6.790 1.00 0.00 N ATOM 322 CA VAL A 22 -7.170 -6.696 -6.655 1.00 0.00 C ATOM 323 C VAL A 22 -7.478 -7.017 -5.190 1.00 0.00 C ATOM 324 O VAL A 22 -8.418 -7.701 -4.871 1.00 0.00 O ATOM 325 CB VAL A 22 -5.902 -7.412 -7.119 1.00 0.00 C ATOM 326 CG1 VAL A 22 -5.838 -8.803 -6.486 1.00 0.00 C ATOM 327 CG2 VAL A 22 -5.924 -7.548 -8.644 1.00 0.00 C ATOM 0 H VAL A 22 -5.898 -5.012 -6.958 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.033 -7.008 -7.243 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.028 -6.835 -6.816 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.933 -9.312 -6.818 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.824 -8.708 -5.400 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.711 -9.381 -6.788 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.020 -8.058 -8.977 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.798 -8.125 -8.945 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.969 -6.558 -9.097 1.00 0.00 H new ATOM 337 N VAL A 23 -6.683 -6.508 -4.298 1.00 0.00 N ATOM 338 CA VAL A 23 -6.916 -6.679 -2.846 1.00 0.00 C ATOM 339 C VAL A 23 -8.263 -6.068 -2.479 1.00 0.00 C ATOM 340 O VAL A 23 -8.907 -6.430 -1.518 1.00 0.00 O ATOM 341 CB VAL A 23 -5.742 -6.077 -2.118 1.00 0.00 C ATOM 342 CG1 VAL A 23 -6.203 -4.821 -1.398 1.00 0.00 C ATOM 343 CG2 VAL A 23 -5.196 -7.087 -1.102 1.00 0.00 C ATOM 0 H VAL A 23 -5.853 -5.962 -4.526 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.976 -7.727 -2.552 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.954 -5.826 -2.827 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.361 -4.376 -0.867 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.592 -4.107 -2.124 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.987 -5.077 -0.685 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.347 -6.651 -0.576 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.977 -7.340 -0.384 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.876 -7.990 -1.622 1.00 0.00 H new ATOM 353 N ASP A 24 -8.619 -5.015 -3.173 1.00 0.00 N ATOM 354 CA ASP A 24 -9.886 -4.305 -2.892 1.00 0.00 C ATOM 355 C ASP A 24 -11.038 -5.196 -3.338 1.00 0.00 C ATOM 356 O ASP A 24 -12.073 -5.292 -2.719 1.00 0.00 O ATOM 357 CB ASP A 24 -9.828 -3.015 -3.687 1.00 0.00 C ATOM 358 CG ASP A 24 -10.770 -1.984 -3.064 1.00 0.00 C ATOM 359 OD1 ASP A 24 -11.956 -2.055 -3.338 1.00 0.00 O ATOM 360 OD2 ASP A 24 -10.289 -1.138 -2.328 1.00 0.00 O ATOM 0 H ASP A 24 -8.069 -4.617 -3.934 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.031 -4.080 -1.835 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.808 -2.630 -3.700 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.111 -3.202 -4.723 1.00 0.00 H new ATOM 365 N GLU A 25 -10.844 -5.822 -4.464 1.00 0.00 N ATOM 366 CA GLU A 25 -11.872 -6.722 -5.023 1.00 0.00 C ATOM 367 C GLU A 25 -12.206 -7.816 -4.009 1.00 0.00 C ATOM 368 O GLU A 25 -13.347 -8.153 -3.780 1.00 0.00 O ATOM 369 CB GLU A 25 -11.227 -7.298 -6.278 1.00 0.00 C ATOM 370 CG GLU A 25 -12.019 -6.863 -7.513 1.00 0.00 C ATOM 371 CD GLU A 25 -12.383 -8.094 -8.345 1.00 0.00 C ATOM 372 OE1 GLU A 25 -12.870 -9.052 -7.768 1.00 0.00 O ATOM 373 OE2 GLU A 25 -12.169 -8.058 -9.546 1.00 0.00 O ATOM 0 H GLU A 25 -9.997 -5.742 -5.027 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.811 -6.218 -5.251 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.195 -6.956 -6.357 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.199 -8.386 -6.217 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.923 -6.335 -7.211 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.429 -6.168 -8.111 1.00 0.00 H new ATOM 380 N ALA A 26 -11.190 -8.409 -3.435 1.00 0.00 N ATOM 381 CA ALA A 26 -11.410 -9.481 -2.422 1.00 0.00 C ATOM 382 C ALA A 26 -11.824 -8.885 -1.085 1.00 0.00 C ATOM 383 O ALA A 26 -12.688 -9.393 -0.396 1.00 0.00 O ATOM 384 CB ALA A 26 -10.079 -10.198 -2.309 1.00 0.00 C ATOM 0 H ALA A 26 -10.212 -8.194 -3.627 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.212 -10.160 -2.714 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.161 -11.004 -1.580 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.806 -10.613 -3.279 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.312 -9.493 -1.987 1.00 0.00 H new ATOM 390 N LYS A 27 -11.194 -7.780 -0.709 1.00 0.00 N ATOM 391 CA LYS A 27 -11.559 -7.237 0.625 1.00 0.00 C ATOM 392 C LYS A 27 -12.934 -6.590 0.541 1.00 0.00 C ATOM 393 O LYS A 27 -13.641 -6.506 1.534 1.00 0.00 O ATOM 394 CB LYS A 27 -10.513 -6.086 0.810 1.00 0.00 C ATOM 395 CG LYS A 27 -9.231 -6.663 1.414 1.00 0.00 C ATOM 396 CD LYS A 27 -9.588 -7.825 2.347 1.00 0.00 C ATOM 397 CE LYS A 27 -9.732 -9.117 1.534 1.00 0.00 C ATOM 398 NZ LYS A 27 -8.334 -9.560 1.267 1.00 0.00 N ATOM 0 H LYS A 27 -10.489 -7.269 -1.240 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.568 -7.988 1.415 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.298 -5.616 -0.150 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.919 -5.311 1.460 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.566 -7.008 0.622 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.696 -5.890 1.966 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.814 -7.946 3.105 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.518 -7.609 2.872 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.287 -9.873 2.089 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.275 -8.941 0.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.281 -10.597 1.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.049 -9.255 0.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.696 -9.138 1.971 1.00 0.00 H new ATOM 412 N LYS A 28 -13.416 -6.346 -0.644 1.00 0.00 N ATOM 413 CA LYS A 28 -14.805 -5.842 -0.799 1.00 0.00 C ATOM 414 C LYS A 28 -15.753 -6.987 -0.495 1.00 0.00 C ATOM 415 O LYS A 28 -16.720 -6.849 0.231 1.00 0.00 O ATOM 416 CB LYS A 28 -14.906 -5.442 -2.265 1.00 0.00 C ATOM 417 CG LYS A 28 -15.215 -3.948 -2.377 1.00 0.00 C ATOM 418 CD LYS A 28 -16.593 -3.758 -3.014 1.00 0.00 C ATOM 419 CE LYS A 28 -16.479 -2.801 -4.203 1.00 0.00 C ATOM 420 NZ LYS A 28 -16.523 -3.676 -5.407 1.00 0.00 N ATOM 0 H LYS A 28 -12.903 -6.475 -1.516 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.049 -5.009 -0.140 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.971 -5.668 -2.778 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -15.688 -6.022 -2.756 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.192 -3.486 -1.390 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.453 -3.452 -2.979 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.988 -4.719 -3.344 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -17.293 -3.360 -2.279 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.296 -2.080 -4.209 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.551 -2.231 -4.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -16.450 -3.091 -6.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -15.729 -4.348 -5.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.421 -4.201 -5.422 1.00 0.00 H new ATOM 434 N GLU A 29 -15.438 -8.141 -1.030 1.00 0.00 N ATOM 435 CA GLU A 29 -16.313 -9.327 -0.805 1.00 0.00 C ATOM 436 C GLU A 29 -16.524 -9.541 0.684 1.00 0.00 C ATOM 437 O GLU A 29 -17.635 -9.799 1.132 1.00 0.00 O ATOM 438 CB GLU A 29 -15.432 -10.476 -1.332 1.00 0.00 C ATOM 439 CG GLU A 29 -15.029 -11.418 -0.186 1.00 0.00 C ATOM 440 CD GLU A 29 -16.131 -12.455 0.036 1.00 0.00 C ATOM 441 OE1 GLU A 29 -16.137 -13.447 -0.673 1.00 0.00 O ATOM 442 OE2 GLU A 29 -16.953 -12.238 0.912 1.00 0.00 O ATOM 0 H GLU A 29 -14.616 -8.310 -1.610 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.293 -9.239 -1.273 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -15.972 -11.035 -2.096 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.539 -10.069 -1.806 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -14.089 -11.916 -0.424 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.864 -10.846 0.727 1.00 0.00 H new ATOM 449 N PHE A 30 -15.606 -9.166 1.490 1.00 0.00 N ATOM 450 CA PHE A 30 -15.732 -9.344 2.940 1.00 0.00 C ATOM 451 C PHE A 30 -16.165 -7.967 3.433 1.00 0.00 C ATOM 452 O PHE A 30 -17.196 -7.876 4.143 1.00 0.00 O ATOM 453 CB PHE A 30 -14.314 -9.688 3.482 1.00 0.00 C ATOM 454 CG PHE A 30 -13.903 -8.689 4.542 1.00 0.00 C ATOM 455 CD1 PHE A 30 -14.744 -8.438 5.631 1.00 0.00 C ATOM 456 CD2 PHE A 30 -12.681 -8.018 4.431 1.00 0.00 C ATOM 457 CE1 PHE A 30 -14.363 -7.514 6.610 1.00 0.00 C ATOM 458 CE2 PHE A 30 -12.300 -7.093 5.410 1.00 0.00 C ATOM 459 CZ PHE A 30 -13.141 -6.841 6.499 1.00 0.00 C ATOM 0 H PHE A 30 -14.735 -8.724 1.195 1.00 0.00 H new ATOM 0 HA PHE A 30 -16.426 -10.126 3.249 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.311 -10.695 3.900 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.593 -9.680 2.665 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -15.687 -8.957 5.716 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.032 -8.213 3.590 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -15.012 -7.320 7.451 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.357 -6.574 5.325 1.00 0.00 H new ATOM 0 HZ PHE A 30 -12.847 -6.127 7.254 1.00 0.00 H new ATOM 469 N GLY A 31 -15.393 -6.965 3.347 1.00 0.00 N ATOM 470 CA GLY A 31 -15.727 -5.572 3.706 1.00 0.00 C ATOM 471 C GLY A 31 -16.560 -4.807 2.656 1.00 0.00 C ATOM 472 O GLY A 31 -15.898 -3.960 1.998 1.00 0.00 O ATOM 0 H GLY A 31 -14.436 -7.056 3.006 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.275 -5.577 4.648 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -14.800 -5.026 3.880 1.00 0.00 H new ATOM 476 N ASP A 32 -17.779 -5.036 2.410 1.00 0.00 N ATOM 477 CA ASP A 32 -18.399 -4.285 1.283 1.00 0.00 C ATOM 478 C ASP A 32 -17.910 -2.827 1.230 1.00 0.00 C ATOM 479 O ASP A 32 -17.936 -2.200 0.202 1.00 0.00 O ATOM 480 CB ASP A 32 -19.909 -4.239 1.752 1.00 0.00 C ATOM 481 CG ASP A 32 -20.512 -2.858 1.475 1.00 0.00 C ATOM 482 OD1 ASP A 32 -20.169 -2.282 0.457 1.00 0.00 O ATOM 483 OD2 ASP A 32 -21.303 -2.401 2.285 1.00 0.00 O ATOM 0 H ASP A 32 -18.383 -5.688 2.910 1.00 0.00 H new ATOM 0 HA ASP A 32 -18.189 -4.735 0.313 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -20.482 -5.005 1.229 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -19.973 -4.464 2.817 1.00 0.00 H new ATOM 488 N LYS A 33 -17.397 -2.314 2.285 1.00 0.00 N ATOM 489 CA LYS A 33 -16.707 -1.011 2.395 1.00 0.00 C ATOM 490 C LYS A 33 -15.300 -1.005 1.810 1.00 0.00 C ATOM 491 O LYS A 33 -14.631 -2.031 1.951 1.00 0.00 O ATOM 492 CB LYS A 33 -16.856 -0.487 3.761 1.00 0.00 C ATOM 493 CG LYS A 33 -17.904 -1.325 4.490 1.00 0.00 C ATOM 494 CD LYS A 33 -18.636 -0.449 5.508 1.00 0.00 C ATOM 495 CE LYS A 33 -19.660 0.429 4.786 1.00 0.00 C ATOM 496 NZ LYS A 33 -19.592 1.746 5.478 1.00 0.00 N ATOM 0 H LYS A 33 -17.432 -2.802 3.180 1.00 0.00 H new ATOM 0 HA LYS A 33 -17.199 -0.289 1.743 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -15.903 -0.529 4.289 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -17.160 0.560 3.734 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -18.614 -1.742 3.775 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -17.427 -2.166 4.993 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -19.135 -1.074 6.248 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -17.922 0.175 6.046 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -19.420 0.526 3.727 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -20.661 0.001 4.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -20.267 2.404 5.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -19.832 1.623 6.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -18.630 2.132 5.396 1.00 0.00 H new ATOM 510 N ILE A 34 -14.790 0.081 1.315 1.00 0.00 N ATOM 511 CA ILE A 34 -13.345 0.023 0.929 1.00 0.00 C ATOM 512 C ILE A 34 -12.590 1.236 1.512 1.00 0.00 C ATOM 513 O ILE A 34 -13.127 2.283 1.783 1.00 0.00 O ATOM 514 CB ILE A 34 -13.425 0.195 -0.611 1.00 0.00 C ATOM 515 CG1 ILE A 34 -12.636 -0.932 -1.271 1.00 0.00 C ATOM 516 CG2 ILE A 34 -12.833 1.546 -1.034 1.00 0.00 C ATOM 517 CD1 ILE A 34 -13.585 -2.078 -1.624 1.00 0.00 C ATOM 0 H ILE A 34 -15.273 0.966 1.163 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.837 -0.878 1.273 1.00 0.00 H new ATOM 0 HB ILE A 34 -14.469 0.161 -0.922 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -12.140 -0.566 -2.170 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.855 -1.286 -0.598 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -12.898 1.649 -2.117 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -13.391 2.353 -0.559 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -11.789 1.598 -0.727 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -13.023 -2.884 -2.096 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -14.060 -2.450 -0.716 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -14.350 -1.718 -2.312 1.00 0.00 H new ATOM 529 N ASP A 35 -11.302 1.062 1.694 1.00 0.00 N ATOM 530 CA ASP A 35 -10.472 2.124 2.282 1.00 0.00 C ATOM 531 C ASP A 35 -9.057 1.982 1.754 1.00 0.00 C ATOM 532 O ASP A 35 -8.135 1.614 2.481 1.00 0.00 O ATOM 533 CB ASP A 35 -10.512 1.916 3.807 1.00 0.00 C ATOM 534 CG ASP A 35 -11.243 3.085 4.474 1.00 0.00 C ATOM 535 OD1 ASP A 35 -12.447 3.183 4.299 1.00 0.00 O ATOM 536 OD2 ASP A 35 -10.587 3.861 5.149 1.00 0.00 O ATOM 0 H ASP A 35 -10.797 0.210 1.451 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.831 3.121 2.028 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.017 0.979 4.042 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.498 1.839 4.199 1.00 0.00 H new ATOM 541 N VAL A 36 -8.810 2.397 0.528 1.00 0.00 N ATOM 542 CA VAL A 36 -7.441 2.185 0.050 1.00 0.00 C ATOM 543 C VAL A 36 -6.743 3.526 0.139 1.00 0.00 C ATOM 544 O VAL A 36 -7.073 4.557 -0.407 1.00 0.00 O ATOM 545 CB VAL A 36 -7.667 1.916 -1.523 1.00 0.00 C ATOM 546 CG1 VAL A 36 -6.329 1.980 -2.269 1.00 0.00 C ATOM 547 CG2 VAL A 36 -8.277 0.525 -1.700 1.00 0.00 C ATOM 0 H VAL A 36 -9.465 2.844 -0.113 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.890 1.409 0.581 1.00 0.00 H new ATOM 0 HB VAL A 36 -8.334 2.677 -1.929 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.495 1.797 -3.331 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.885 2.967 -2.136 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.654 1.222 -1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.435 0.329 -2.761 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.600 -0.224 -1.290 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -9.231 0.477 -1.176 1.00 0.00 H new ATOM 557 N GLU A 37 -5.566 3.492 0.823 1.00 0.00 N ATOM 558 CA GLU A 37 -4.901 4.812 1.053 1.00 0.00 C ATOM 559 C GLU A 37 -3.554 4.782 0.292 1.00 0.00 C ATOM 560 O GLU A 37 -3.054 3.787 -0.122 1.00 0.00 O ATOM 561 CB GLU A 37 -4.383 4.680 2.558 1.00 0.00 C ATOM 562 CG GLU A 37 -5.548 4.817 3.526 1.00 0.00 C ATOM 563 CD GLU A 37 -5.034 5.090 4.938 1.00 0.00 C ATOM 564 OE1 GLU A 37 -3.847 4.917 5.159 1.00 0.00 O ATOM 565 OE2 GLU A 37 -5.836 5.467 5.777 1.00 0.00 O ATOM 0 H GLU A 37 -5.096 2.665 1.191 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.543 5.655 0.799 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.894 3.716 2.699 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.638 5.448 2.763 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.202 5.628 3.206 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.145 3.905 3.519 1.00 0.00 H new ATOM 572 N LYS A 38 -3.353 5.855 -0.372 1.00 0.00 N ATOM 573 CA LYS A 38 -2.333 6.236 -1.374 1.00 0.00 C ATOM 574 C LYS A 38 -1.304 7.291 -1.076 1.00 0.00 C ATOM 575 O LYS A 38 -1.933 8.392 -0.797 1.00 0.00 O ATOM 576 CB LYS A 38 -2.855 6.131 -2.698 1.00 0.00 C ATOM 577 CG LYS A 38 -3.889 7.229 -2.727 1.00 0.00 C ATOM 578 CD LYS A 38 -5.174 6.744 -2.053 1.00 0.00 C ATOM 579 CE LYS A 38 -6.323 6.789 -3.063 1.00 0.00 C ATOM 580 NZ LYS A 38 -7.006 5.473 -2.926 1.00 0.00 N ATOM 0 H LYS A 38 -3.988 6.640 -0.226 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.566 5.469 -1.266 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.082 6.281 -3.452 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.297 5.152 -2.884 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.509 8.113 -2.215 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.095 7.521 -3.757 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.042 5.728 -1.680 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.406 7.372 -1.193 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.005 7.612 -2.849 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.952 6.938 -4.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.874 5.471 -3.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.372 4.717 -3.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.249 5.310 -1.928 1.00 0.00 H new ATOM 594 N ILE A 39 -0.078 7.227 -0.974 1.00 0.00 N ATOM 595 CA ILE A 39 0.737 8.468 -0.754 1.00 0.00 C ATOM 596 C ILE A 39 1.948 8.501 -1.726 1.00 0.00 C ATOM 597 O ILE A 39 2.120 7.657 -2.573 1.00 0.00 O ATOM 598 CB ILE A 39 1.187 8.353 0.653 1.00 0.00 C ATOM 599 CG1 ILE A 39 0.831 6.956 1.180 1.00 0.00 C ATOM 600 CG2 ILE A 39 0.494 9.408 1.508 1.00 0.00 C ATOM 601 CD1 ILE A 39 0.789 6.984 2.709 1.00 0.00 C ATOM 0 H ILE A 39 0.461 6.363 -1.028 1.00 0.00 H new ATOM 0 HA ILE A 39 0.176 9.384 -0.938 1.00 0.00 H new ATOM 0 HB ILE A 39 2.265 8.506 0.702 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.135 6.642 0.785 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.567 6.228 0.839 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.830 9.317 2.541 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.741 10.401 1.132 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.585 9.261 1.463 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.536 5.992 3.084 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.765 7.280 3.094 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.036 7.700 3.039 1.00 0.00 H new ATOM 613 N ASP A 40 2.729 9.542 -1.674 1.00 0.00 N ATOM 614 CA ASP A 40 3.959 9.716 -2.476 1.00 0.00 C ATOM 615 C ASP A 40 5.238 9.475 -1.671 1.00 0.00 C ATOM 616 O ASP A 40 5.211 9.580 -0.457 1.00 0.00 O ATOM 617 CB ASP A 40 3.851 11.020 -3.155 1.00 0.00 C ATOM 618 CG ASP A 40 5.171 11.747 -3.030 1.00 0.00 C ATOM 619 OD1 ASP A 40 6.169 11.222 -3.502 1.00 0.00 O ATOM 620 OD2 ASP A 40 5.173 12.823 -2.463 1.00 0.00 O ATOM 0 H ASP A 40 2.542 10.333 -1.058 1.00 0.00 H new ATOM 0 HA ASP A 40 4.047 8.947 -3.243 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.596 10.878 -4.205 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.051 11.612 -2.710 1.00 0.00 H new ATOM 625 N ILE A 41 6.357 9.327 -2.319 1.00 0.00 N ATOM 626 CA ILE A 41 7.619 9.251 -1.533 1.00 0.00 C ATOM 627 C ILE A 41 7.849 10.519 -0.693 1.00 0.00 C ATOM 628 O ILE A 41 8.351 10.437 0.419 1.00 0.00 O ATOM 629 CB ILE A 41 8.723 9.159 -2.616 1.00 0.00 C ATOM 630 CG1 ILE A 41 10.099 9.169 -1.943 1.00 0.00 C ATOM 631 CG2 ILE A 41 8.621 10.348 -3.577 1.00 0.00 C ATOM 632 CD1 ILE A 41 10.020 8.413 -0.615 1.00 0.00 C ATOM 0 H ILE A 41 6.455 9.257 -3.332 1.00 0.00 H new ATOM 0 HA ILE A 41 7.604 8.414 -0.835 1.00 0.00 H new ATOM 0 HB ILE A 41 8.592 8.234 -3.178 1.00 0.00 H new ATOM 0 HG12 ILE A 41 10.839 8.705 -2.595 1.00 0.00 H new ATOM 0 HG13 ILE A 41 10.425 10.195 -1.771 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.402 10.272 -4.334 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.645 10.342 -4.061 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.744 11.277 -3.021 1.00 0.00 H new ATOM 0 HD11 ILE A 41 10.998 8.419 -0.134 1.00 0.00 H new ATOM 0 HD12 ILE A 41 9.293 8.897 0.037 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.713 7.384 -0.800 1.00 0.00 H new ATOM 644 N MET A 42 7.522 11.681 -1.208 1.00 0.00 N ATOM 645 CA MET A 42 7.700 12.910 -0.380 1.00 0.00 C ATOM 646 C MET A 42 6.552 13.120 0.608 1.00 0.00 C ATOM 647 O MET A 42 6.598 14.001 1.443 1.00 0.00 O ATOM 648 CB MET A 42 7.717 14.042 -1.413 1.00 0.00 C ATOM 649 CG MET A 42 6.376 14.780 -1.390 1.00 0.00 C ATOM 650 SD MET A 42 6.524 16.265 -0.365 1.00 0.00 S ATOM 651 CE MET A 42 4.845 16.242 0.310 1.00 0.00 C ATOM 0 H MET A 42 7.148 11.828 -2.145 1.00 0.00 H new ATOM 0 HA MET A 42 8.601 12.855 0.231 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.529 14.736 -1.194 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.904 13.637 -2.408 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.081 15.052 -2.403 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.597 14.128 -0.995 1.00 0.00 H new ATOM 0 HE1 MET A 42 4.449 17.257 0.335 1.00 0.00 H new ATOM 0 HE2 MET A 42 4.208 15.620 -0.319 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.865 15.835 1.321 1.00 0.00 H new ATOM 661 N VAL A 43 5.555 12.277 0.572 1.00 0.00 N ATOM 662 CA VAL A 43 4.418 12.439 1.525 1.00 0.00 C ATOM 663 C VAL A 43 4.388 11.266 2.496 1.00 0.00 C ATOM 664 O VAL A 43 4.246 11.442 3.690 1.00 0.00 O ATOM 665 CB VAL A 43 3.144 12.459 0.666 1.00 0.00 C ATOM 666 CG1 VAL A 43 3.513 12.526 -0.815 1.00 0.00 C ATOM 667 CG2 VAL A 43 2.335 11.188 0.933 1.00 0.00 C ATOM 0 H VAL A 43 5.478 11.489 -0.071 1.00 0.00 H new ATOM 0 HA VAL A 43 4.510 13.351 2.115 1.00 0.00 H new ATOM 0 HB VAL A 43 2.550 13.336 0.925 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.604 12.540 -1.416 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.088 13.432 -1.006 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.111 11.654 -1.081 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.430 11.198 0.325 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.934 10.315 0.676 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.063 11.144 1.988 1.00 0.00 H new ATOM 677 N ASP A 44 4.520 10.067 1.999 1.00 0.00 N ATOM 678 CA ASP A 44 4.496 8.885 2.901 1.00 0.00 C ATOM 679 C ASP A 44 5.905 8.344 3.108 1.00 0.00 C ATOM 680 O ASP A 44 6.112 7.137 3.198 1.00 0.00 O ATOM 681 CB ASP A 44 3.608 7.859 2.205 1.00 0.00 C ATOM 682 CG ASP A 44 3.897 6.463 2.763 1.00 0.00 C ATOM 683 OD1 ASP A 44 3.294 6.109 3.762 1.00 0.00 O ATOM 684 OD2 ASP A 44 4.718 5.773 2.181 1.00 0.00 O ATOM 0 H ASP A 44 4.643 9.856 1.009 1.00 0.00 H new ATOM 0 HA ASP A 44 4.113 9.134 3.891 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.558 8.111 2.355 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.789 7.876 1.130 1.00 0.00 H new ATOM 689 N ARG A 45 6.894 9.209 3.193 1.00 0.00 N ATOM 690 CA ARG A 45 8.266 8.648 3.326 1.00 0.00 C ATOM 691 C ARG A 45 8.394 7.899 4.659 1.00 0.00 C ATOM 692 O ARG A 45 9.342 7.208 4.911 1.00 0.00 O ATOM 693 CB ARG A 45 9.129 9.946 3.482 1.00 0.00 C ATOM 694 CG ARG A 45 10.564 9.578 3.881 1.00 0.00 C ATOM 695 CD ARG A 45 10.920 10.221 5.225 1.00 0.00 C ATOM 696 NE ARG A 45 12.150 9.511 5.675 1.00 0.00 N ATOM 697 CZ ARG A 45 12.067 8.567 6.573 1.00 0.00 C ATOM 698 NH1 ARG A 45 10.952 7.906 6.723 1.00 0.00 N ATOM 699 NH2 ARG A 45 13.099 8.285 7.320 1.00 0.00 N ATOM 0 H ARG A 45 6.813 10.226 3.177 1.00 0.00 H new ATOM 0 HA ARG A 45 8.534 7.980 2.507 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.135 10.503 2.545 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.688 10.597 4.237 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.664 8.495 3.950 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.260 9.914 3.113 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.099 11.291 5.116 1.00 0.00 H new ATOM 0 HD3 ARG A 45 10.110 10.105 5.946 1.00 0.00 H new ATOM 0 HE ARG A 45 13.057 9.762 5.282 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.146 8.127 6.139 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.887 7.168 7.424 1.00 0.00 H new ATOM 0 HH21 ARG A 45 13.970 8.802 7.202 1.00 0.00 H new ATOM 0 HH22 ARG A 45 13.034 7.548 8.022 1.00 0.00 H new ATOM 713 N GLU A 46 7.349 7.915 5.437 1.00 0.00 N ATOM 714 CA GLU A 46 7.232 7.066 6.656 1.00 0.00 C ATOM 715 C GLU A 46 7.513 5.605 6.350 1.00 0.00 C ATOM 716 O GLU A 46 7.789 4.806 7.219 1.00 0.00 O ATOM 717 CB GLU A 46 5.911 7.347 7.295 1.00 0.00 C ATOM 718 CG GLU A 46 5.842 8.818 7.724 1.00 0.00 C ATOM 719 CD GLU A 46 5.954 8.915 9.247 1.00 0.00 C ATOM 720 OE1 GLU A 46 5.039 8.468 9.919 1.00 0.00 O ATOM 721 OE2 GLU A 46 6.953 9.436 9.716 1.00 0.00 O ATOM 0 H GLU A 46 6.536 8.508 5.270 1.00 0.00 H new ATOM 0 HA GLU A 46 7.999 7.318 7.388 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.104 7.125 6.596 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.771 6.700 8.161 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.647 9.383 7.254 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.904 9.261 7.389 1.00 0.00 H new ATOM 728 N LYS A 47 7.279 5.203 5.133 1.00 0.00 N ATOM 729 CA LYS A 47 7.425 3.769 4.794 1.00 0.00 C ATOM 730 C LYS A 47 8.783 3.278 5.295 1.00 0.00 C ATOM 731 O LYS A 47 8.888 2.366 6.074 1.00 0.00 O ATOM 732 CB LYS A 47 7.430 3.688 3.266 1.00 0.00 C ATOM 733 CG LYS A 47 8.503 2.678 2.838 1.00 0.00 C ATOM 734 CD LYS A 47 8.146 1.298 3.391 1.00 0.00 C ATOM 735 CE LYS A 47 9.417 0.463 3.530 1.00 0.00 C ATOM 736 NZ LYS A 47 10.134 0.648 2.240 1.00 0.00 N ATOM 0 H LYS A 47 6.994 5.807 4.362 1.00 0.00 H new ATOM 0 HA LYS A 47 6.628 3.172 5.238 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.451 3.379 2.899 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.638 4.667 2.835 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.571 2.641 1.751 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.480 2.989 3.208 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.656 1.398 4.359 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.441 0.799 2.726 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.022 0.800 4.371 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.184 -0.587 3.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.635 -0.229 1.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.449 0.878 1.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.820 1.424 2.332 1.00 0.00 H new ATOM 750 N ALA A 48 9.806 3.837 4.807 1.00 0.00 N ATOM 751 CA ALA A 48 11.188 3.614 5.207 1.00 0.00 C ATOM 752 C ALA A 48 11.377 3.756 6.700 1.00 0.00 C ATOM 753 O ALA A 48 12.502 3.721 7.183 1.00 0.00 O ATOM 754 CB ALA A 48 12.118 4.249 4.275 1.00 0.00 C ATOM 0 H ALA A 48 9.730 4.523 4.056 1.00 0.00 H new ATOM 0 HA ALA A 48 11.476 2.569 5.091 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.142 4.065 4.600 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.974 3.834 3.278 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.933 5.323 4.251 1.00 0.00 H new ATOM 760 N ILE A 49 10.405 4.306 7.399 1.00 0.00 N ATOM 761 CA ILE A 49 10.674 4.649 8.799 1.00 0.00 C ATOM 762 C ILE A 49 11.632 3.564 9.264 1.00 0.00 C ATOM 763 O ILE A 49 12.609 3.815 9.941 1.00 0.00 O ATOM 764 CB ILE A 49 9.318 4.519 9.522 1.00 0.00 C ATOM 765 CG1 ILE A 49 8.574 3.259 9.049 1.00 0.00 C ATOM 766 CG2 ILE A 49 8.467 5.753 9.222 1.00 0.00 C ATOM 767 CD1 ILE A 49 9.154 2.029 9.751 1.00 0.00 C ATOM 0 H ILE A 49 9.469 4.520 7.055 1.00 0.00 H new ATOM 0 HA ILE A 49 11.090 5.641 8.972 1.00 0.00 H new ATOM 0 HB ILE A 49 9.496 4.439 10.594 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.510 3.348 9.269 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.668 3.152 7.968 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.507 5.666 9.731 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.984 6.646 9.573 1.00 0.00 H new ATOM 0 HG23 ILE A 49 8.302 5.829 8.147 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.626 1.136 9.416 1.00 0.00 H new ATOM 0 HD12 ILE A 49 10.213 1.937 9.509 1.00 0.00 H new ATOM 0 HD13 ILE A 49 9.036 2.136 10.829 1.00 0.00 H new ATOM 779 N GLU A 50 11.394 2.370 8.804 1.00 0.00 N ATOM 780 CA GLU A 50 12.303 1.244 9.113 1.00 0.00 C ATOM 781 C GLU A 50 13.738 1.649 8.762 1.00 0.00 C ATOM 782 O GLU A 50 14.629 1.573 9.585 1.00 0.00 O ATOM 783 CB GLU A 50 11.808 0.119 8.204 1.00 0.00 C ATOM 784 CG GLU A 50 11.015 -0.890 9.032 1.00 0.00 C ATOM 785 CD GLU A 50 11.457 -2.309 8.672 1.00 0.00 C ATOM 786 OE1 GLU A 50 12.450 -2.441 7.976 1.00 0.00 O ATOM 787 OE2 GLU A 50 10.795 -3.241 9.099 1.00 0.00 O ATOM 0 H GLU A 50 10.595 2.127 8.218 1.00 0.00 H new ATOM 0 HA GLU A 50 12.304 0.950 10.163 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.182 0.527 7.410 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.653 -0.373 7.723 1.00 0.00 H new ATOM 0 HG2 GLU A 50 11.173 -0.708 10.095 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.948 -0.772 8.844 1.00 0.00 H new ATOM 794 N TYR A 51 13.971 2.096 7.551 1.00 0.00 N ATOM 795 CA TYR A 51 15.357 2.521 7.176 1.00 0.00 C ATOM 796 C TYR A 51 15.365 3.990 6.754 1.00 0.00 C ATOM 797 O TYR A 51 16.330 4.704 6.942 1.00 0.00 O ATOM 798 CB TYR A 51 15.748 1.642 5.989 1.00 0.00 C ATOM 799 CG TYR A 51 14.738 1.795 4.878 1.00 0.00 C ATOM 800 CD1 TYR A 51 13.501 1.151 4.959 1.00 0.00 C ATOM 801 CD2 TYR A 51 15.049 2.577 3.760 1.00 0.00 C ATOM 802 CE1 TYR A 51 12.573 1.289 3.921 1.00 0.00 C ATOM 803 CE2 TYR A 51 14.121 2.716 2.724 1.00 0.00 C ATOM 804 CZ TYR A 51 12.883 2.072 2.804 1.00 0.00 C ATOM 805 OH TYR A 51 11.967 2.206 1.780 1.00 0.00 O ATOM 0 H TYR A 51 13.271 2.184 6.814 1.00 0.00 H new ATOM 0 HA TYR A 51 16.049 2.415 8.012 1.00 0.00 H new ATOM 0 HB2 TYR A 51 16.739 1.920 5.631 1.00 0.00 H new ATOM 0 HB3 TYR A 51 15.803 0.599 6.301 1.00 0.00 H new ATOM 0 HD1 TYR A 51 13.261 0.547 5.822 1.00 0.00 H new ATOM 0 HD2 TYR A 51 16.006 3.073 3.698 1.00 0.00 H new ATOM 0 HE1 TYR A 51 11.617 0.791 3.982 1.00 0.00 H new ATOM 0 HE2 TYR A 51 14.360 3.321 1.862 1.00 0.00 H new ATOM 0 HH TYR A 51 12.409 2.038 0.922 1.00 0.00 H new ATOM 815 N GLY A 52 14.289 4.431 6.184 1.00 0.00 N ATOM 816 CA GLY A 52 14.187 5.844 5.738 1.00 0.00 C ATOM 817 C GLY A 52 15.495 6.326 5.092 1.00 0.00 C ATOM 818 O GLY A 52 15.725 7.494 4.936 1.00 0.00 O ATOM 0 H GLY A 52 13.460 3.865 6.004 1.00 0.00 H new ATOM 0 HA2 GLY A 52 13.369 5.943 5.024 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.945 6.479 6.590 1.00 0.00 H new ATOM 822 N LEU A 53 16.352 5.476 4.757 1.00 0.00 N ATOM 823 CA LEU A 53 17.665 5.737 4.089 1.00 0.00 C ATOM 824 C LEU A 53 17.331 5.921 2.623 1.00 0.00 C ATOM 825 O LEU A 53 17.614 6.916 1.969 1.00 0.00 O ATOM 826 CB LEU A 53 18.653 4.709 4.463 1.00 0.00 C ATOM 827 CG LEU A 53 18.607 4.460 5.970 1.00 0.00 C ATOM 828 CD1 LEU A 53 19.923 3.818 6.414 1.00 0.00 C ATOM 829 CD2 LEU A 53 18.412 5.785 6.712 1.00 0.00 C ATOM 0 H LEU A 53 16.204 4.481 4.928 1.00 0.00 H new ATOM 0 HA LEU A 53 18.181 6.641 4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 53 18.446 3.783 3.927 1.00 0.00 H new ATOM 0 HB3 LEU A 53 19.652 5.030 4.170 1.00 0.00 H new ATOM 0 HG LEU A 53 17.774 3.796 6.201 1.00 0.00 H new ATOM 0 HD11 LEU A 53 19.896 3.638 7.489 1.00 0.00 H new ATOM 0 HD12 LEU A 53 20.061 2.872 5.891 1.00 0.00 H new ATOM 0 HD13 LEU A 53 20.751 4.486 6.179 1.00 0.00 H new ATOM 0 HD21 LEU A 53 18.380 5.600 7.786 1.00 0.00 H new ATOM 0 HD22 LEU A 53 19.241 6.455 6.484 1.00 0.00 H new ATOM 0 HD23 LEU A 53 17.476 6.245 6.395 1.00 0.00 H new ATOM 841 N MET A 54 17.073 4.788 2.003 1.00 0.00 N ATOM 842 CA MET A 54 16.768 4.728 0.581 1.00 0.00 C ATOM 843 C MET A 54 15.256 4.537 0.418 1.00 0.00 C ATOM 844 O MET A 54 14.823 3.577 -0.255 1.00 0.00 O ATOM 845 CB MET A 54 17.535 3.557 0.062 1.00 0.00 C ATOM 846 CG MET A 54 19.019 3.927 -0.022 1.00 0.00 C ATOM 847 SD MET A 54 20.009 2.600 0.711 1.00 0.00 S ATOM 848 CE MET A 54 19.443 1.268 -0.375 1.00 0.00 C ATOM 0 H MET A 54 17.068 3.880 2.468 1.00 0.00 H new ATOM 0 HA MET A 54 17.042 5.632 0.036 1.00 0.00 H new ATOM 0 HB2 MET A 54 17.398 2.697 0.718 1.00 0.00 H new ATOM 0 HB3 MET A 54 17.163 3.270 -0.921 1.00 0.00 H new ATOM 0 HG2 MET A 54 19.309 4.081 -1.061 1.00 0.00 H new ATOM 0 HG3 MET A 54 19.202 4.865 0.502 1.00 0.00 H new ATOM 0 HE1 MET A 54 20.237 0.530 -0.490 1.00 0.00 H new ATOM 0 HE2 MET A 54 18.565 0.791 0.061 1.00 0.00 H new ATOM 0 HE3 MET A 54 19.186 1.679 -1.351 1.00 0.00 H new ATOM 858 N ALA A 55 14.425 5.453 0.875 1.00 0.00 N ATOM 859 CA ALA A 55 12.991 5.094 0.752 1.00 0.00 C ATOM 860 C ALA A 55 12.376 6.075 -0.246 1.00 0.00 C ATOM 861 O ALA A 55 12.389 7.253 -0.248 1.00 0.00 O ATOM 862 CB ALA A 55 12.462 5.661 2.182 1.00 0.00 C ATOM 0 H ALA A 55 14.657 6.355 1.291 1.00 0.00 H new ATOM 0 HA ALA A 55 12.789 4.055 0.491 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.391 5.479 2.272 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.986 5.152 2.991 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.654 6.732 2.242 1.00 0.00 H new ATOM 868 N VAL A 56 11.761 5.389 -1.247 1.00 0.00 N ATOM 869 CA VAL A 56 11.158 6.117 -2.399 1.00 0.00 C ATOM 870 C VAL A 56 9.987 5.373 -2.998 1.00 0.00 C ATOM 871 O VAL A 56 8.826 5.810 -2.819 1.00 0.00 O ATOM 872 CB VAL A 56 12.238 6.246 -3.474 1.00 0.00 C ATOM 873 CG1 VAL A 56 12.485 7.726 -3.767 1.00 0.00 C ATOM 874 CG2 VAL A 56 13.536 5.598 -2.993 1.00 0.00 C ATOM 0 H VAL A 56 11.670 4.374 -1.283 1.00 0.00 H new ATOM 0 HA VAL A 56 10.796 7.083 -2.047 1.00 0.00 H new ATOM 0 HB VAL A 56 11.904 5.741 -4.381 1.00 0.00 H new ATOM 0 HG11 VAL A 56 13.255 7.822 -4.533 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.562 8.186 -4.120 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.815 8.227 -2.857 1.00 0.00 H new ATOM 0 HG21 VAL A 56 14.299 5.695 -3.765 1.00 0.00 H new ATOM 0 HG22 VAL A 56 13.875 6.094 -2.084 1.00 0.00 H new ATOM 0 HG23 VAL A 56 13.361 4.542 -2.787 1.00 0.00 H new ATOM 884 N PRO A 57 10.170 4.109 -3.400 1.00 0.00 N ATOM 885 CA PRO A 57 8.969 3.405 -3.847 1.00 0.00 C ATOM 886 C PRO A 57 8.759 2.209 -2.978 1.00 0.00 C ATOM 887 O PRO A 57 9.415 1.283 -2.750 1.00 0.00 O ATOM 888 CB PRO A 57 9.701 2.688 -5.171 1.00 0.00 C ATOM 889 CG PRO A 57 11.196 2.631 -4.886 1.00 0.00 C ATOM 890 CD PRO A 57 11.462 3.480 -3.643 1.00 0.00 C ATOM 0 HA PRO A 57 8.065 4.009 -3.925 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.303 1.687 -5.335 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.504 3.262 -6.077 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.516 1.602 -4.722 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.763 3.009 -5.737 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.781 2.871 -2.797 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.245 4.218 -3.817 1.00 0.00 H new ATOM 898 N ALA A 58 7.574 2.386 -2.298 1.00 0.00 N ATOM 899 CA ALA A 58 7.156 1.417 -1.260 1.00 0.00 C ATOM 900 C ALA A 58 5.667 1.506 -0.977 1.00 0.00 C ATOM 901 O ALA A 58 4.999 2.444 -1.386 1.00 0.00 O ATOM 902 CB ALA A 58 7.984 1.736 -0.006 1.00 0.00 C ATOM 0 H ALA A 58 6.928 3.160 -2.451 1.00 0.00 H new ATOM 0 HA ALA A 58 7.333 0.395 -1.595 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.713 1.047 0.794 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.045 1.629 -0.233 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.782 2.759 0.313 1.00 0.00 H new ATOM 908 N ILE A 59 5.160 0.607 -0.175 1.00 0.00 N ATOM 909 CA ILE A 59 3.729 0.707 0.152 1.00 0.00 C ATOM 910 C ILE A 59 3.585 0.444 1.624 1.00 0.00 C ATOM 911 O ILE A 59 4.208 -0.470 2.211 1.00 0.00 O ATOM 912 CB ILE A 59 3.093 -0.507 -0.666 1.00 0.00 C ATOM 913 CG1 ILE A 59 2.462 0.044 -1.948 1.00 0.00 C ATOM 914 CG2 ILE A 59 2.015 -1.212 0.165 1.00 0.00 C ATOM 915 CD1 ILE A 59 3.257 1.262 -2.419 1.00 0.00 C ATOM 0 H ILE A 59 5.667 -0.168 0.252 1.00 0.00 H new ATOM 0 HA ILE A 59 3.271 1.668 -0.083 1.00 0.00 H new ATOM 0 HB ILE A 59 3.875 -1.228 -0.903 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.456 -0.723 -2.723 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.424 0.321 -1.766 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.594 -2.037 -0.410 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.458 -1.599 1.083 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.226 -0.503 0.414 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.811 1.657 -3.332 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.240 2.029 -1.645 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.288 0.969 -2.617 1.00 0.00 H new ATOM 927 N ALA A 60 2.465 0.940 2.258 1.00 0.00 N ATOM 928 CA ALA A 60 2.608 0.664 3.690 1.00 0.00 C ATOM 929 C ALA A 60 1.606 -0.439 3.780 1.00 0.00 C ATOM 930 O ALA A 60 0.644 -0.665 3.050 1.00 0.00 O ATOM 931 CB ALA A 60 1.683 1.986 4.264 1.00 0.00 C ATOM 0 H ALA A 60 1.643 1.421 1.893 1.00 0.00 H new ATOM 0 HA ALA A 60 3.592 0.497 4.128 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.660 1.968 5.354 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.133 2.919 3.926 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.666 1.913 3.878 1.00 0.00 H new ATOM 937 N ILE A 61 1.835 -1.297 4.838 1.00 0.00 N ATOM 938 CA ILE A 61 1.085 -2.530 4.696 1.00 0.00 C ATOM 939 C ILE A 61 -0.019 -2.324 5.663 1.00 0.00 C ATOM 940 O ILE A 61 -0.166 -2.686 6.783 1.00 0.00 O ATOM 941 CB ILE A 61 2.102 -3.541 5.507 1.00 0.00 C ATOM 942 CG1 ILE A 61 3.572 -3.197 5.190 1.00 0.00 C ATOM 943 CG2 ILE A 61 1.836 -4.995 5.143 1.00 0.00 C ATOM 944 CD1 ILE A 61 4.479 -4.385 5.522 1.00 0.00 C ATOM 0 H ILE A 61 2.433 -1.169 5.654 1.00 0.00 H new ATOM 0 HA ILE A 61 0.772 -2.832 3.697 1.00 0.00 H new ATOM 0 HB ILE A 61 1.919 -3.406 6.573 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.673 -2.937 4.136 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.880 -2.324 5.765 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.522 -5.639 5.693 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.809 -5.253 5.402 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.986 -5.135 4.073 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.513 -4.128 5.293 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.391 -4.625 6.581 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.180 -5.248 4.928 1.00 0.00 H new ATOM 956 N ASN A 62 -1.068 -1.741 5.003 1.00 0.00 N ATOM 957 CA ASN A 62 -2.355 -1.470 5.667 1.00 0.00 C ATOM 958 C ASN A 62 -2.730 -2.652 6.504 1.00 0.00 C ATOM 959 O ASN A 62 -3.486 -3.500 6.081 1.00 0.00 O ATOM 960 CB ASN A 62 -3.358 -1.190 4.563 1.00 0.00 C ATOM 961 CG ASN A 62 -3.859 0.255 4.648 1.00 0.00 C ATOM 962 OD1 ASN A 62 -4.965 0.550 4.240 1.00 0.00 O ATOM 963 ND2 ASN A 62 -3.089 1.174 5.164 1.00 0.00 N ATOM 0 H ASN A 62 -1.034 -1.458 4.024 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.314 -0.613 6.339 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.896 -1.365 3.591 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.199 -1.878 4.645 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.416 2.138 5.224 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.160 0.928 5.507 1.00 0.00 H new ATOM 970 N GLY A 63 -2.174 -2.732 7.676 1.00 0.00 N ATOM 971 CA GLY A 63 -2.432 -3.883 8.578 1.00 0.00 C ATOM 972 C GLY A 63 -1.314 -3.891 9.619 1.00 0.00 C ATOM 973 O GLY A 63 -1.547 -4.036 10.802 1.00 0.00 O ATOM 0 H GLY A 63 -1.537 -2.032 8.055 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.406 -3.787 9.058 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.444 -4.818 8.017 1.00 0.00 H new ATOM 977 N VAL A 64 -0.092 -3.726 9.173 1.00 0.00 N ATOM 978 CA VAL A 64 1.056 -3.714 10.117 1.00 0.00 C ATOM 979 C VAL A 64 1.907 -2.434 9.955 1.00 0.00 C ATOM 980 O VAL A 64 2.066 -1.684 10.897 1.00 0.00 O ATOM 981 CB VAL A 64 1.846 -4.967 9.757 1.00 0.00 C ATOM 982 CG1 VAL A 64 0.895 -6.161 9.757 1.00 0.00 C ATOM 983 CG2 VAL A 64 2.450 -4.821 8.363 1.00 0.00 C ATOM 0 H VAL A 64 0.155 -3.599 8.191 1.00 0.00 H new ATOM 0 HA VAL A 64 0.739 -3.712 11.160 1.00 0.00 H new ATOM 0 HB VAL A 64 2.646 -5.112 10.483 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.447 -7.066 9.501 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.453 -6.274 10.747 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.106 -5.997 9.023 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.013 -5.721 8.114 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.652 -4.679 7.634 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.117 -3.959 8.344 1.00 0.00 H new ATOM 993 N VAL A 65 2.457 -2.162 8.787 1.00 0.00 N ATOM 994 CA VAL A 65 3.290 -0.910 8.650 1.00 0.00 C ATOM 995 C VAL A 65 3.524 -0.506 7.188 1.00 0.00 C ATOM 996 O VAL A 65 2.633 -0.016 6.516 1.00 0.00 O ATOM 997 CB VAL A 65 4.623 -1.262 9.311 1.00 0.00 C ATOM 998 CG1 VAL A 65 5.603 -0.105 9.111 1.00 0.00 C ATOM 999 CG2 VAL A 65 4.405 -1.492 10.807 1.00 0.00 C ATOM 0 H VAL A 65 2.371 -2.732 7.946 1.00 0.00 H new ATOM 0 HA VAL A 65 2.785 -0.060 9.109 1.00 0.00 H new ATOM 0 HB VAL A 65 5.028 -2.168 8.861 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.556 -0.350 9.580 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.756 0.062 8.045 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.197 0.799 9.565 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.355 -1.743 11.279 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.003 -0.585 11.260 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.701 -2.312 10.950 1.00 0.00 H new ATOM 1009 N ARG A 66 4.675 -0.834 6.648 1.00 0.00 N ATOM 1010 CA ARG A 66 5.013 -0.417 5.255 1.00 0.00 C ATOM 1011 C ARG A 66 6.316 -1.114 4.818 1.00 0.00 C ATOM 1012 O ARG A 66 7.021 -1.696 5.610 1.00 0.00 O ATOM 1013 CB ARG A 66 5.303 1.106 5.320 1.00 0.00 C ATOM 1014 CG ARG A 66 5.169 1.721 3.922 1.00 0.00 C ATOM 1015 CD ARG A 66 4.449 3.073 4.015 1.00 0.00 C ATOM 1016 NE ARG A 66 4.499 3.447 5.457 1.00 0.00 N ATOM 1017 CZ ARG A 66 3.578 4.223 5.962 1.00 0.00 C ATOM 1018 NH1 ARG A 66 3.693 5.520 5.867 1.00 0.00 N ATOM 1019 NH2 ARG A 66 2.544 3.703 6.564 1.00 0.00 N ATOM 0 H ARG A 66 5.398 -1.377 7.119 1.00 0.00 H new ATOM 0 HA ARG A 66 4.208 -0.667 4.564 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.608 1.589 6.008 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.307 1.278 5.708 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.155 1.854 3.477 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.613 1.047 3.270 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.941 3.824 3.397 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.420 2.996 3.664 1.00 0.00 H new ATOM 0 HE ARG A 66 5.252 3.097 6.049 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.502 5.927 5.398 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.974 6.126 6.261 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.455 2.690 6.640 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.825 4.310 6.958 1.00 0.00 H new ATOM 1033 N PHE A 67 6.528 -1.238 3.517 1.00 0.00 N ATOM 1034 CA PHE A 67 7.710 -2.018 3.032 1.00 0.00 C ATOM 1035 C PHE A 67 8.308 -1.383 1.765 1.00 0.00 C ATOM 1036 O PHE A 67 7.859 -0.362 1.287 1.00 0.00 O ATOM 1037 CB PHE A 67 7.170 -3.394 2.681 1.00 0.00 C ATOM 1038 CG PHE A 67 6.870 -3.464 1.195 1.00 0.00 C ATOM 1039 CD1 PHE A 67 6.385 -2.338 0.517 1.00 0.00 C ATOM 1040 CD2 PHE A 67 7.077 -4.660 0.499 1.00 0.00 C ATOM 1041 CE1 PHE A 67 6.110 -2.408 -0.853 1.00 0.00 C ATOM 1042 CE2 PHE A 67 6.802 -4.731 -0.871 1.00 0.00 C ATOM 1043 CZ PHE A 67 6.318 -3.605 -1.548 1.00 0.00 C ATOM 0 H PHE A 67 5.939 -0.837 2.787 1.00 0.00 H new ATOM 0 HA PHE A 67 8.494 -2.047 3.789 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.897 -4.160 2.951 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.265 -3.597 3.254 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.223 -1.414 1.053 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.450 -5.530 1.020 1.00 0.00 H new ATOM 0 HE1 PHE A 67 5.737 -1.539 -1.374 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.963 -5.655 -1.407 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.105 -3.660 -2.605 1.00 0.00 H new ATOM 1053 N VAL A 68 9.400 -1.927 1.284 1.00 0.00 N ATOM 1054 CA VAL A 68 10.045 -1.456 0.029 1.00 0.00 C ATOM 1055 C VAL A 68 9.340 -2.033 -1.197 1.00 0.00 C ATOM 1056 O VAL A 68 9.403 -3.255 -1.366 1.00 0.00 O ATOM 1057 CB VAL A 68 11.494 -1.815 0.127 1.00 0.00 C ATOM 1058 CG1 VAL A 68 12.184 -1.500 -1.196 1.00 0.00 C ATOM 1059 CG2 VAL A 68 12.158 -1.010 1.253 1.00 0.00 C ATOM 0 H VAL A 68 9.884 -2.706 1.731 1.00 0.00 H new ATOM 0 HA VAL A 68 9.960 -0.376 -0.094 1.00 0.00 H new ATOM 0 HB VAL A 68 11.586 -2.879 0.346 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.240 -1.761 -1.127 1.00 0.00 H new ATOM 0 HG12 VAL A 68 11.719 -2.077 -1.995 1.00 0.00 H new ATOM 0 HG13 VAL A 68 12.087 -0.436 -1.413 1.00 0.00 H new ATOM 0 HG21 VAL A 68 13.213 -1.277 1.318 1.00 0.00 H new ATOM 0 HG22 VAL A 68 12.066 0.055 1.042 1.00 0.00 H new ATOM 0 HG23 VAL A 68 11.668 -1.236 2.200 1.00 0.00 H new ATOM 1069 N GLY A 69 8.760 -1.274 -2.044 1.00 0.00 N ATOM 1070 CA GLY A 69 8.120 -1.883 -3.246 1.00 0.00 C ATOM 1071 C GLY A 69 7.868 -0.820 -4.318 1.00 0.00 C ATOM 1072 O GLY A 69 6.983 -0.002 -4.190 1.00 0.00 O ATOM 0 H GLY A 69 8.691 -0.259 -1.974 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.761 -2.668 -3.648 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.178 -2.354 -2.964 1.00 0.00 H new ATOM 1076 N ALA A 70 8.608 -0.838 -5.390 1.00 0.00 N ATOM 1077 CA ALA A 70 8.361 0.161 -6.461 1.00 0.00 C ATOM 1078 C ALA A 70 7.351 -0.411 -7.447 1.00 0.00 C ATOM 1079 O ALA A 70 6.160 -0.146 -7.323 1.00 0.00 O ATOM 1080 CB ALA A 70 9.716 0.391 -7.129 1.00 0.00 C ATOM 0 H ALA A 70 9.367 -1.496 -5.569 1.00 0.00 H new ATOM 0 HA ALA A 70 7.954 1.098 -6.082 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.607 1.120 -7.932 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.426 0.766 -6.392 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.083 -0.549 -7.540 1.00 0.00 H new ATOM 1086 N PRO A 71 7.811 -1.275 -8.337 1.00 0.00 N ATOM 1087 CA PRO A 71 6.826 -1.863 -9.258 1.00 0.00 C ATOM 1088 C PRO A 71 6.240 -3.118 -8.627 1.00 0.00 C ATOM 1089 O PRO A 71 5.567 -3.906 -9.251 1.00 0.00 O ATOM 1090 CB PRO A 71 7.767 -2.355 -10.410 1.00 0.00 C ATOM 1091 CG PRO A 71 9.121 -2.556 -9.779 1.00 0.00 C ATOM 1092 CD PRO A 71 9.196 -1.652 -8.581 1.00 0.00 C ATOM 0 HA PRO A 71 6.017 -1.188 -9.537 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.398 -3.283 -10.847 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.816 -1.621 -11.215 1.00 0.00 H new ATOM 0 HG2 PRO A 71 9.256 -3.597 -9.484 1.00 0.00 H new ATOM 0 HG3 PRO A 71 9.914 -2.320 -10.488 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.628 -2.164 -7.721 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.819 -0.779 -8.778 1.00 0.00 H new ATOM 1100 N SER A 72 6.363 -3.224 -7.318 1.00 0.00 N ATOM 1101 CA SER A 72 5.740 -4.377 -6.602 1.00 0.00 C ATOM 1102 C SER A 72 4.428 -3.991 -5.918 1.00 0.00 C ATOM 1103 O SER A 72 4.308 -4.047 -4.716 1.00 0.00 O ATOM 1104 CB SER A 72 6.782 -4.780 -5.555 1.00 0.00 C ATOM 1105 OG SER A 72 7.567 -5.853 -6.061 1.00 0.00 O ATOM 0 H SER A 72 6.865 -2.564 -6.725 1.00 0.00 H new ATOM 0 HA SER A 72 5.486 -5.182 -7.291 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.420 -3.930 -5.314 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.288 -5.080 -4.631 1.00 0.00 H new ATOM 0 HG SER A 72 8.236 -6.112 -5.393 1.00 0.00 H new ATOM 1111 N ARG A 73 3.441 -3.609 -6.669 1.00 0.00 N ATOM 1112 CA ARG A 73 2.118 -3.267 -6.086 1.00 0.00 C ATOM 1113 C ARG A 73 1.468 -4.524 -5.511 1.00 0.00 C ATOM 1114 O ARG A 73 0.691 -4.480 -4.584 1.00 0.00 O ATOM 1115 CB ARG A 73 1.308 -2.624 -7.189 1.00 0.00 C ATOM 1116 CG ARG A 73 2.065 -1.409 -7.734 1.00 0.00 C ATOM 1117 CD ARG A 73 1.589 -1.119 -9.160 1.00 0.00 C ATOM 1118 NE ARG A 73 2.767 -0.515 -9.842 1.00 0.00 N ATOM 1119 CZ ARG A 73 2.969 -0.736 -11.112 1.00 0.00 C ATOM 1120 NH1 ARG A 73 2.161 -0.225 -12.000 1.00 0.00 N ATOM 1121 NH2 ARG A 73 3.981 -1.467 -11.494 1.00 0.00 N ATOM 0 H ARG A 73 3.495 -3.517 -7.683 1.00 0.00 H new ATOM 0 HA ARG A 73 2.197 -2.567 -5.254 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.127 -3.342 -7.989 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.333 -2.318 -6.809 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.892 -0.542 -7.097 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.138 -1.601 -7.728 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.267 -2.031 -9.662 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.739 -0.437 -9.162 1.00 0.00 H new ATOM 0 HE ARG A 73 3.416 0.071 -9.317 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.371 0.347 -11.701 1.00 0.00 H new ATOM 0 HH12 ARG A 73 2.319 -0.398 -12.993 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.613 -1.865 -10.800 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.139 -1.640 -12.487 1.00 0.00 H new ATOM 1135 N GLU A 74 1.713 -5.647 -6.132 1.00 0.00 N ATOM 1136 CA GLU A 74 1.115 -6.923 -5.657 1.00 0.00 C ATOM 1137 C GLU A 74 1.310 -7.031 -4.149 1.00 0.00 C ATOM 1138 O GLU A 74 0.418 -7.378 -3.406 1.00 0.00 O ATOM 1139 CB GLU A 74 1.824 -8.033 -6.405 1.00 0.00 C ATOM 1140 CG GLU A 74 0.801 -8.869 -7.178 1.00 0.00 C ATOM 1141 CD GLU A 74 0.190 -9.918 -6.247 1.00 0.00 C ATOM 1142 OE1 GLU A 74 0.937 -10.516 -5.490 1.00 0.00 O ATOM 1143 OE2 GLU A 74 -1.014 -10.106 -6.308 1.00 0.00 O ATOM 0 H GLU A 74 2.308 -5.733 -6.956 1.00 0.00 H new ATOM 0 HA GLU A 74 0.043 -6.981 -5.846 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.557 -7.611 -7.092 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.370 -8.665 -5.705 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.019 -8.225 -7.580 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.281 -9.356 -8.027 1.00 0.00 H new ATOM 1150 N GLU A 75 2.510 -6.752 -3.698 1.00 0.00 N ATOM 1151 CA GLU A 75 2.767 -6.876 -2.243 1.00 0.00 C ATOM 1152 C GLU A 75 1.639 -6.187 -1.477 1.00 0.00 C ATOM 1153 O GLU A 75 1.299 -6.579 -0.375 1.00 0.00 O ATOM 1154 CB GLU A 75 4.073 -6.077 -2.049 1.00 0.00 C ATOM 1155 CG GLU A 75 5.161 -7.018 -1.536 1.00 0.00 C ATOM 1156 CD GLU A 75 5.427 -6.739 -0.056 1.00 0.00 C ATOM 1157 OE1 GLU A 75 4.722 -5.918 0.508 1.00 0.00 O ATOM 1158 OE2 GLU A 75 6.332 -7.350 0.489 1.00 0.00 O ATOM 0 H GLU A 75 3.302 -6.451 -4.266 1.00 0.00 H new ATOM 0 HA GLU A 75 2.831 -7.907 -1.896 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.381 -5.624 -2.992 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.915 -5.263 -1.341 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.852 -8.055 -1.671 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.076 -6.880 -2.112 1.00 0.00 H new ATOM 1165 N LEU A 76 1.007 -5.221 -2.084 1.00 0.00 N ATOM 1166 CA LEU A 76 -0.144 -4.552 -1.423 1.00 0.00 C ATOM 1167 C LEU A 76 -1.326 -5.509 -1.378 1.00 0.00 C ATOM 1168 O LEU A 76 -2.056 -5.581 -0.411 1.00 0.00 O ATOM 1169 CB LEU A 76 -0.464 -3.347 -2.310 1.00 0.00 C ATOM 1170 CG LEU A 76 0.625 -2.285 -2.162 1.00 0.00 C ATOM 1171 CD1 LEU A 76 2.004 -2.946 -2.215 1.00 0.00 C ATOM 1172 CD2 LEU A 76 0.502 -1.272 -3.303 1.00 0.00 C ATOM 0 H LEU A 76 1.240 -4.867 -3.012 1.00 0.00 H new ATOM 0 HA LEU A 76 0.074 -4.252 -0.398 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.538 -3.661 -3.351 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.432 -2.928 -2.034 1.00 0.00 H new ATOM 0 HG LEU A 76 0.507 -1.777 -1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.777 -2.185 -2.109 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.093 -3.668 -1.404 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.126 -3.457 -3.170 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.277 -0.513 -3.201 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.619 -1.784 -4.258 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.478 -0.797 -3.264 1.00 0.00 H new ATOM 1184 N PHE A 77 -1.518 -6.246 -2.442 1.00 0.00 N ATOM 1185 CA PHE A 77 -2.645 -7.211 -2.472 1.00 0.00 C ATOM 1186 C PHE A 77 -2.520 -8.242 -1.345 1.00 0.00 C ATOM 1187 O PHE A 77 -3.470 -8.614 -0.713 1.00 0.00 O ATOM 1188 CB PHE A 77 -2.541 -7.898 -3.841 1.00 0.00 C ATOM 1189 CG PHE A 77 -2.771 -9.381 -3.682 1.00 0.00 C ATOM 1190 CD1 PHE A 77 -1.692 -10.233 -3.423 1.00 0.00 C ATOM 1191 CD2 PHE A 77 -4.065 -9.905 -3.792 1.00 0.00 C ATOM 1192 CE1 PHE A 77 -1.905 -11.607 -3.274 1.00 0.00 C ATOM 1193 CE2 PHE A 77 -4.278 -11.280 -3.643 1.00 0.00 C ATOM 1194 CZ PHE A 77 -3.198 -12.131 -3.384 1.00 0.00 C ATOM 0 H PHE A 77 -0.944 -6.218 -3.284 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.605 -6.715 -2.328 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.276 -7.477 -4.527 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.558 -7.717 -4.276 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.694 -9.829 -3.338 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.899 -9.248 -3.992 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -1.071 -12.264 -3.074 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.276 -11.684 -3.728 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.362 -13.192 -3.269 1.00 0.00 H new ATOM 1204 N GLU A 78 -1.328 -8.680 -1.091 1.00 0.00 N ATOM 1205 CA GLU A 78 -1.043 -9.643 0.001 1.00 0.00 C ATOM 1206 C GLU A 78 -1.082 -8.930 1.352 1.00 0.00 C ATOM 1207 O GLU A 78 -1.236 -9.530 2.397 1.00 0.00 O ATOM 1208 CB GLU A 78 0.261 -10.321 -0.313 1.00 0.00 C ATOM 1209 CG GLU A 78 0.451 -11.523 0.613 1.00 0.00 C ATOM 1210 CD GLU A 78 1.522 -11.188 1.650 1.00 0.00 C ATOM 1211 OE1 GLU A 78 1.872 -10.024 1.756 1.00 0.00 O ATOM 1212 OE2 GLU A 78 1.975 -12.100 2.322 1.00 0.00 O ATOM 0 H GLU A 78 -0.502 -8.398 -1.619 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.804 -10.421 0.072 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.272 -10.646 -1.354 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.086 -9.620 -0.189 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.488 -11.769 1.108 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.746 -12.399 0.036 1.00 0.00 H new ATOM 1219 N ALA A 79 -0.783 -7.653 1.345 1.00 0.00 N ATOM 1220 CA ALA A 79 -0.695 -6.908 2.626 1.00 0.00 C ATOM 1221 C ALA A 79 -2.110 -6.657 3.160 1.00 0.00 C ATOM 1222 O ALA A 79 -2.362 -6.772 4.342 1.00 0.00 O ATOM 1223 CB ALA A 79 -0.021 -5.578 2.270 1.00 0.00 C ATOM 0 H ALA A 79 -0.598 -7.102 0.507 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.139 -7.450 3.391 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.080 -4.969 3.169 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.966 -5.771 1.850 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.629 -5.046 1.538 1.00 0.00 H new ATOM 1229 N ILE A 80 -3.036 -6.324 2.309 1.00 0.00 N ATOM 1230 CA ILE A 80 -4.437 -6.116 2.760 1.00 0.00 C ATOM 1231 C ILE A 80 -4.991 -7.405 3.371 1.00 0.00 C ATOM 1232 O ILE A 80 -5.631 -7.416 4.385 1.00 0.00 O ATOM 1233 CB ILE A 80 -5.220 -5.668 1.543 1.00 0.00 C ATOM 1234 CG1 ILE A 80 -5.366 -4.143 1.554 1.00 0.00 C ATOM 1235 CG2 ILE A 80 -6.605 -6.311 1.568 1.00 0.00 C ATOM 1236 CD1 ILE A 80 -4.117 -3.505 0.943 1.00 0.00 C ATOM 0 H ILE A 80 -2.881 -6.186 1.310 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.507 -5.359 3.541 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.690 -5.972 0.640 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -6.251 -3.848 0.990 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.506 -3.788 2.575 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.171 -5.990 0.693 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.503 -7.396 1.556 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.131 -6.006 2.472 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.222 -2.420 0.951 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.241 -3.789 1.526 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.997 -3.850 -0.084 1.00 0.00 H new ATOM 1248 N ASN A 81 -4.757 -8.504 2.710 1.00 0.00 N ATOM 1249 CA ASN A 81 -5.218 -9.847 3.181 1.00 0.00 C ATOM 1250 C ASN A 81 -4.371 -10.227 4.370 1.00 0.00 C ATOM 1251 O ASN A 81 -4.841 -10.851 5.340 1.00 0.00 O ATOM 1252 CB ASN A 81 -5.121 -10.802 2.050 1.00 0.00 C ATOM 1253 CG ASN A 81 -3.863 -11.636 2.233 1.00 0.00 C ATOM 1254 OD1 ASN A 81 -2.774 -11.185 1.941 1.00 0.00 O ATOM 1255 ND2 ASN A 81 -3.962 -12.852 2.699 1.00 0.00 N ATOM 0 H ASN A 81 -4.245 -8.530 1.828 1.00 0.00 H new ATOM 0 HA ASN A 81 -6.259 -9.849 3.503 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -6.001 -11.445 2.020 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.086 -10.265 1.102 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.125 -13.422 2.818 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -4.877 -13.231 2.944 1.00 0.00 H new ATOM 1262 N ASP A 82 -3.103 -9.811 4.386 1.00 0.00 N ATOM 1263 CA ASP A 82 -2.354 -10.336 5.536 1.00 0.00 C ATOM 1264 C ASP A 82 -2.324 -9.238 6.572 1.00 0.00 C ATOM 1265 O ASP A 82 -2.203 -9.498 7.776 1.00 0.00 O ATOM 1266 CB ASP A 82 -0.837 -10.152 4.973 1.00 0.00 C ATOM 1267 CG ASP A 82 0.179 -10.118 6.136 1.00 0.00 C ATOM 1268 OD1 ASP A 82 -0.041 -9.359 7.068 1.00 0.00 O ATOM 1269 OD2 ASP A 82 1.142 -10.865 6.080 1.00 0.00 O ATOM 0 H ASP A 82 -2.623 -9.202 3.724 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.710 -11.302 5.893 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.594 -10.971 4.296 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.768 -9.230 4.396 1.00 0.00 H new ATOM 1274 N GLU A 83 -3.057 -8.154 6.271 1.00 0.00 N ATOM 1275 CA GLU A 83 -3.383 -7.140 7.298 1.00 0.00 C ATOM 1276 C GLU A 83 -4.646 -7.587 8.021 1.00 0.00 C ATOM 1277 O GLU A 83 -4.598 -7.780 9.245 1.00 0.00 O ATOM 1278 CB GLU A 83 -3.712 -5.877 6.458 1.00 0.00 C ATOM 1279 CG GLU A 83 -5.002 -5.227 6.974 1.00 0.00 C ATOM 1280 CD GLU A 83 -4.935 -5.084 8.497 1.00 0.00 C ATOM 1281 OE1 GLU A 83 -3.988 -5.586 9.078 1.00 0.00 O ATOM 1282 OE2 GLU A 83 -5.840 -4.483 9.055 1.00 0.00 O ATOM 0 H GLU A 83 -3.431 -7.955 5.343 1.00 0.00 H new ATOM 0 HA GLU A 83 -2.592 -6.981 8.031 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.888 -5.166 6.517 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.826 -6.147 5.408 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -5.137 -4.249 6.513 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.863 -5.833 6.694 1.00 0.00 H new ATOM 1289 N MET A 84 -5.736 -7.735 7.346 1.00 0.00 N ATOM 1290 CA MET A 84 -6.969 -8.189 8.055 1.00 0.00 C ATOM 1291 C MET A 84 -6.825 -9.626 8.565 1.00 0.00 C ATOM 1292 O MET A 84 -7.547 -10.054 9.444 1.00 0.00 O ATOM 1293 CB MET A 84 -8.046 -8.164 6.950 1.00 0.00 C ATOM 1294 CG MET A 84 -7.860 -9.364 6.007 1.00 0.00 C ATOM 1295 SD MET A 84 -9.219 -9.412 4.808 1.00 0.00 S ATOM 1296 CE MET A 84 -8.605 -10.794 3.811 1.00 0.00 C ATOM 0 H MET A 84 -5.838 -7.566 6.345 1.00 0.00 H new ATOM 0 HA MET A 84 -7.193 -7.566 8.921 1.00 0.00 H new ATOM 0 HB2 MET A 84 -9.039 -8.194 7.398 1.00 0.00 H new ATOM 0 HB3 MET A 84 -7.978 -7.234 6.386 1.00 0.00 H new ATOM 0 HG2 MET A 84 -6.905 -9.286 5.487 1.00 0.00 H new ATOM 0 HG3 MET A 84 -7.835 -10.290 6.581 1.00 0.00 H new ATOM 0 HE1 MET A 84 -9.360 -11.077 3.078 1.00 0.00 H new ATOM 0 HE2 MET A 84 -7.693 -10.494 3.295 1.00 0.00 H new ATOM 0 HE3 MET A 84 -8.392 -11.644 4.459 1.00 0.00 H new ATOM 1306 N GLU A 85 -5.844 -10.344 8.087 1.00 0.00 N ATOM 1307 CA GLU A 85 -5.628 -11.733 8.581 1.00 0.00 C ATOM 1308 C GLU A 85 -4.181 -12.163 8.336 1.00 0.00 C ATOM 1309 O GLU A 85 -3.303 -11.580 8.950 1.00 0.00 O ATOM 1310 CB GLU A 85 -6.589 -12.599 7.754 1.00 0.00 C ATOM 1311 CG GLU A 85 -6.404 -14.070 8.134 1.00 0.00 C ATOM 1312 CD GLU A 85 -7.727 -14.633 8.657 1.00 0.00 C ATOM 1313 OE1 GLU A 85 -8.727 -13.943 8.546 1.00 0.00 O ATOM 1314 OE2 GLU A 85 -7.717 -15.745 9.159 1.00 0.00 O ATOM 1315 OXT GLU A 85 -3.974 -13.065 7.541 1.00 0.00 O ATOM 0 H GLU A 85 -5.184 -10.028 7.376 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.810 -11.823 9.652 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -7.619 -12.292 7.935 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -6.397 -12.460 6.690 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.071 -14.641 7.267 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -5.630 -14.165 8.895 1.00 0.00 H new