USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 620 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 59 ASN : amide:sc= 0.276 K(o=-1.1,f=-13!) USER MOD Set 1.2: A 62 ASN : amide:sc= -1.34 K(o=-1.1,f=-5!) USER MOD Set 2.1: A 47 SER OG : rot 113:sc= 0.74 USER MOD Set 2.2: A 49 HIS : no HE2:sc= -0.503 K(o=0.24,f=-2.1) USER MOD Set 3.1: A 16 SER OG : rot 180:sc= -0.914 USER MOD Set 3.2: A 56 GLN : amide:sc= 0.513 X(o=-0.4,f=-0.25) USER MOD Single : A 7 ASN : amide:sc= -0.669 K(o=-0.67,f=-4) USER MOD Single : A 8 LYS NZ :NH3+ -156:sc= -0.127 (180deg=-0.524) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= -0.0114 USER MOD Single : A 14 MET CE :methyl -165:sc= -0.409 (180deg=-1.27) USER MOD Single : A 15 ASN : amide:sc= 0.896 K(o=0.9,f=-2.7!) USER MOD Single : A 22 ASN : amide:sc= 0.943 K(o=0.94,f=-0.11) USER MOD Single : A 24 ASN : amide:sc= -1.83 K(o=-1.8,f=-0.47) USER MOD Single : A 25 THR OG1 : rot 68:sc= 0.43 USER MOD Single : A 29 LYS NZ :NH3+ -169:sc= 0.961 (180deg=0.884) USER MOD Single : A 30 LYS NZ :NH3+ -168:sc=-0.00329 (180deg=-0.161) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -33:sc= 0.311 USER MOD Single : A 39 LYS NZ :NH3+ -164:sc= 0.987 (180deg=0.715) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 170:sc= -0.345 USER MOD Single : A 50 LYS NZ :NH3+ 161:sc= -0.0555 (180deg=-0.341) USER MOD Single : A 57 TYR OH : rot -22:sc= 0.871 USER MOD Single : A 74 MET CE :methyl -127:sc= -0.056 (180deg=-1.74) USER MOD Single : A 78 GLN : amide:sc= -5.68! C(o=-5.7!,f=-4.8!) USER MOD Single : A 83 ASN : amide:sc= 0.539 K(o=0.54,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 67 N ASN A 7 -4.191 11.885 6.419 1.00 0.00 N ATOM 68 CA ASN A 7 -4.742 11.811 7.765 1.00 0.00 C ATOM 69 C ASN A 7 -5.433 13.107 8.211 1.00 0.00 C ATOM 70 O ASN A 7 -5.548 13.368 9.408 1.00 0.00 O ATOM 71 CB ASN A 7 -3.673 11.337 8.754 1.00 0.00 C ATOM 72 CG ASN A 7 -2.490 12.288 8.872 1.00 0.00 C ATOM 73 OD1 ASN A 7 -2.464 13.349 8.255 1.00 0.00 O ATOM 74 ND2 ASN A 7 -1.501 11.907 9.670 1.00 0.00 N ATOM 0 HA ASN A 7 -5.538 11.067 7.750 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.128 11.212 9.737 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -3.311 10.357 8.444 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -0.682 12.503 9.788 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -1.560 11.018 10.166 1.00 0.00 H new ATOM 81 N LYS A 8 -5.891 13.922 7.256 1.00 0.00 N ATOM 82 CA LYS A 8 -6.613 15.157 7.542 1.00 0.00 C ATOM 83 C LYS A 8 -7.964 14.812 8.162 1.00 0.00 C ATOM 84 O LYS A 8 -8.473 13.708 7.977 1.00 0.00 O ATOM 85 CB LYS A 8 -6.789 15.970 6.256 1.00 0.00 C ATOM 86 CG LYS A 8 -5.575 16.833 5.881 1.00 0.00 C ATOM 87 CD LYS A 8 -4.247 16.071 5.779 1.00 0.00 C ATOM 88 CE LYS A 8 -3.544 15.941 7.134 1.00 0.00 C ATOM 89 NZ LYS A 8 -3.141 17.255 7.671 1.00 0.00 N ATOM 0 H LYS A 8 -5.769 13.739 6.260 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.046 15.764 8.248 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.001 15.286 5.434 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.660 16.617 6.365 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.773 17.317 4.925 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.467 17.624 6.623 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.432 15.077 5.371 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.589 16.585 5.079 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.209 15.447 7.843 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.664 15.307 7.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.350 17.131 8.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.844 17.873 6.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.945 17.688 8.168 1.00 0.00 H new ATOM 103 N THR A 9 -8.548 15.757 8.900 1.00 0.00 N ATOM 104 CA THR A 9 -9.778 15.521 9.652 1.00 0.00 C ATOM 105 C THR A 9 -10.840 16.577 9.354 1.00 0.00 C ATOM 106 O THR A 9 -11.736 16.805 10.162 1.00 0.00 O ATOM 107 CB THR A 9 -9.486 15.413 11.153 1.00 0.00 C ATOM 108 OG1 THR A 9 -8.789 16.554 11.606 1.00 0.00 O ATOM 109 CG2 THR A 9 -8.638 14.177 11.433 1.00 0.00 C ATOM 0 H THR A 9 -8.182 16.705 8.992 1.00 0.00 H new ATOM 0 HA THR A 9 -10.189 14.566 9.324 1.00 0.00 H new ATOM 0 HB THR A 9 -10.438 15.338 11.679 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.612 16.470 12.566 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.436 14.109 12.502 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.175 13.286 11.108 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.696 14.251 10.890 1.00 0.00 H new ATOM 117 N ASP A 10 -10.744 17.229 8.192 1.00 0.00 N ATOM 118 CA ASP A 10 -11.709 18.227 7.769 1.00 0.00 C ATOM 119 C ASP A 10 -13.058 17.573 7.459 1.00 0.00 C ATOM 120 O ASP A 10 -13.104 16.392 7.113 1.00 0.00 O ATOM 121 CB ASP A 10 -11.156 18.965 6.552 1.00 0.00 C ATOM 122 CG ASP A 10 -9.883 19.733 6.901 1.00 0.00 C ATOM 123 OD1 ASP A 10 -10.021 20.879 7.384 1.00 0.00 O ATOM 124 OD2 ASP A 10 -8.787 19.171 6.681 1.00 0.00 O ATOM 0 H ASP A 10 -9.990 17.074 7.522 1.00 0.00 H new ATOM 0 HA ASP A 10 -11.875 18.944 8.573 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.946 18.251 5.755 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -11.907 19.656 6.171 1.00 0.00 H new ATOM 129 N PRO A 11 -14.159 18.328 7.577 1.00 0.00 N ATOM 130 CA PRO A 11 -15.519 17.833 7.408 1.00 0.00 C ATOM 131 C PRO A 11 -15.816 17.367 5.982 1.00 0.00 C ATOM 132 O PRO A 11 -16.920 16.898 5.712 1.00 0.00 O ATOM 133 CB PRO A 11 -16.421 19.003 7.799 1.00 0.00 C ATOM 134 CG PRO A 11 -15.556 20.232 7.529 1.00 0.00 C ATOM 135 CD PRO A 11 -14.165 19.739 7.904 1.00 0.00 C ATOM 0 HA PRO A 11 -15.683 16.950 8.026 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -17.336 19.019 7.206 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -16.720 18.946 8.846 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -15.609 20.545 6.486 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -15.862 21.085 8.134 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.395 20.275 7.349 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.963 19.898 8.963 1.00 0.00 H new ATOM 143 N ARG A 12 -14.848 17.491 5.070 1.00 0.00 N ATOM 144 CA ARG A 12 -14.998 17.038 3.689 1.00 0.00 C ATOM 145 C ARG A 12 -13.833 16.156 3.258 1.00 0.00 C ATOM 146 O ARG A 12 -13.924 15.489 2.231 1.00 0.00 O ATOM 147 CB ARG A 12 -15.204 18.237 2.759 1.00 0.00 C ATOM 148 CG ARG A 12 -13.978 19.144 2.631 1.00 0.00 C ATOM 149 CD ARG A 12 -13.001 18.637 1.566 1.00 0.00 C ATOM 150 NE ARG A 12 -11.876 19.564 1.402 1.00 0.00 N ATOM 151 CZ ARG A 12 -11.031 19.543 0.369 1.00 0.00 C ATOM 152 NH1 ARG A 12 -11.171 18.645 -0.605 1.00 0.00 N ATOM 153 NH2 ARG A 12 -10.036 20.421 0.304 1.00 0.00 N ATOM 0 H ARG A 12 -13.939 17.909 5.271 1.00 0.00 H new ATOM 0 HA ARG A 12 -15.889 16.413 3.622 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -15.479 17.873 1.769 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -16.044 18.828 3.125 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -14.299 20.154 2.378 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -13.468 19.203 3.593 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.628 17.653 1.849 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -13.522 18.520 0.616 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.730 20.270 2.124 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.930 17.964 -0.566 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.519 18.638 -1.390 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.917 21.113 1.044 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.391 20.403 -0.486 1.00 0.00 H new ATOM 167 N SER A 13 -12.747 16.143 4.036 1.00 0.00 N ATOM 168 CA SER A 13 -11.594 15.298 3.754 1.00 0.00 C ATOM 169 C SER A 13 -11.774 13.928 4.400 1.00 0.00 C ATOM 170 O SER A 13 -11.158 12.952 3.979 1.00 0.00 O ATOM 171 CB SER A 13 -10.315 15.972 4.244 1.00 0.00 C ATOM 172 OG SER A 13 -10.150 17.211 3.586 1.00 0.00 O ATOM 0 H SER A 13 -12.647 16.716 4.874 1.00 0.00 H new ATOM 0 HA SER A 13 -11.512 15.156 2.676 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.363 16.125 5.322 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.456 15.329 4.051 1.00 0.00 H new ATOM 0 HG SER A 13 -9.329 17.643 3.903 1.00 0.00 H new ATOM 178 N MET A 14 -12.622 13.856 5.430 1.00 0.00 N ATOM 179 CA MET A 14 -12.949 12.614 6.118 1.00 0.00 C ATOM 180 C MET A 14 -13.892 11.742 5.291 1.00 0.00 C ATOM 181 O MET A 14 -14.055 10.561 5.582 1.00 0.00 O ATOM 182 CB MET A 14 -13.615 12.974 7.445 1.00 0.00 C ATOM 183 CG MET A 14 -12.587 13.486 8.451 1.00 0.00 C ATOM 184 SD MET A 14 -11.376 12.273 9.039 1.00 0.00 S ATOM 185 CE MET A 14 -12.439 10.825 9.186 1.00 0.00 C ATOM 0 H MET A 14 -13.104 14.671 5.810 1.00 0.00 H new ATOM 0 HA MET A 14 -12.034 12.043 6.278 1.00 0.00 H new ATOM 0 HB2 MET A 14 -14.377 13.735 7.279 1.00 0.00 H new ATOM 0 HB3 MET A 14 -14.122 12.099 7.851 1.00 0.00 H new ATOM 0 HG2 MET A 14 -12.048 14.318 7.997 1.00 0.00 H new ATOM 0 HG3 MET A 14 -13.120 13.885 9.314 1.00 0.00 H new ATOM 0 HE1 MET A 14 -11.935 10.063 9.780 1.00 0.00 H new ATOM 0 HE2 MET A 14 -13.372 11.107 9.673 1.00 0.00 H new ATOM 0 HE3 MET A 14 -12.653 10.429 8.193 1.00 0.00 H new ATOM 195 N ASN A 15 -14.515 12.319 4.262 1.00 0.00 N ATOM 196 CA ASN A 15 -15.429 11.606 3.385 1.00 0.00 C ATOM 197 C ASN A 15 -14.957 11.641 1.931 1.00 0.00 C ATOM 198 O ASN A 15 -15.605 11.057 1.067 1.00 0.00 O ATOM 199 CB ASN A 15 -16.857 12.134 3.557 1.00 0.00 C ATOM 200 CG ASN A 15 -16.906 13.650 3.645 1.00 0.00 C ATOM 201 OD1 ASN A 15 -16.937 14.339 2.632 1.00 0.00 O ATOM 202 ND2 ASN A 15 -16.912 14.172 4.867 1.00 0.00 N ATOM 0 H ASN A 15 -14.395 13.302 4.017 1.00 0.00 H new ATOM 0 HA ASN A 15 -15.436 10.555 3.673 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -17.468 11.801 2.718 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -17.294 11.706 4.459 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -16.943 15.184 4.989 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -16.885 13.560 5.683 1.00 0.00 H new ATOM 209 N SER A 16 -13.840 12.318 1.655 1.00 0.00 N ATOM 210 CA SER A 16 -13.208 12.298 0.340 1.00 0.00 C ATOM 211 C SER A 16 -12.022 11.337 0.347 1.00 0.00 C ATOM 212 O SER A 16 -11.202 11.343 -0.566 1.00 0.00 O ATOM 213 CB SER A 16 -12.782 13.706 -0.076 1.00 0.00 C ATOM 214 OG SER A 16 -11.704 14.131 0.721 1.00 0.00 O ATOM 0 H SER A 16 -13.350 12.895 2.339 1.00 0.00 H new ATOM 0 HA SER A 16 -13.930 11.944 -0.395 1.00 0.00 H new ATOM 0 HB2 SER A 16 -12.494 13.713 -1.127 1.00 0.00 H new ATOM 0 HB3 SER A 16 -13.619 14.396 0.030 1.00 0.00 H new ATOM 0 HG SER A 16 -11.433 15.033 0.450 1.00 0.00 H new ATOM 220 N ARG A 17 -11.934 10.507 1.390 1.00 0.00 N ATOM 221 CA ARG A 17 -10.819 9.599 1.596 1.00 0.00 C ATOM 222 C ARG A 17 -11.308 8.157 1.685 1.00 0.00 C ATOM 223 O ARG A 17 -12.451 7.906 2.066 1.00 0.00 O ATOM 224 CB ARG A 17 -10.078 10.043 2.852 1.00 0.00 C ATOM 225 CG ARG A 17 -8.749 9.308 3.001 1.00 0.00 C ATOM 226 CD ARG A 17 -7.958 9.947 4.129 1.00 0.00 C ATOM 227 NE ARG A 17 -8.615 9.751 5.419 1.00 0.00 N ATOM 228 CZ ARG A 17 -9.036 10.738 6.215 1.00 0.00 C ATOM 229 NH1 ARG A 17 -8.965 12.009 5.831 1.00 0.00 N ATOM 230 NH2 ARG A 17 -9.536 10.454 7.411 1.00 0.00 N ATOM 0 H ARG A 17 -12.646 10.451 2.119 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.132 9.632 0.751 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.899 11.117 2.811 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.699 9.857 3.728 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.923 8.253 3.213 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.185 9.357 2.070 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -6.956 9.519 4.161 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.843 11.014 3.936 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.763 8.792 5.734 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.584 12.244 4.915 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -9.292 12.749 6.453 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.598 9.484 7.721 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -9.858 11.206 8.021 1.00 0.00 H new ATOM 244 N VAL A 18 -10.428 7.219 1.330 1.00 0.00 N ATOM 245 CA VAL A 18 -10.743 5.798 1.290 1.00 0.00 C ATOM 246 C VAL A 18 -9.909 5.040 2.311 1.00 0.00 C ATOM 247 O VAL A 18 -8.701 5.258 2.409 1.00 0.00 O ATOM 248 CB VAL A 18 -10.463 5.254 -0.114 1.00 0.00 C ATOM 249 CG1 VAL A 18 -10.915 3.801 -0.224 1.00 0.00 C ATOM 250 CG2 VAL A 18 -11.174 6.074 -1.190 1.00 0.00 C ATOM 0 H VAL A 18 -9.468 7.431 1.060 1.00 0.00 H new ATOM 0 HA VAL A 18 -11.797 5.662 1.532 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.387 5.323 -0.274 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.708 3.431 -1.228 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.375 3.196 0.504 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.985 3.737 -0.027 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.951 5.657 -2.172 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.250 6.044 -1.019 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.829 7.107 -1.148 1.00 0.00 H new ATOM 260 N PHE A 19 -10.560 4.153 3.062 1.00 0.00 N ATOM 261 CA PHE A 19 -9.898 3.215 3.951 1.00 0.00 C ATOM 262 C PHE A 19 -9.859 1.866 3.244 1.00 0.00 C ATOM 263 O PHE A 19 -10.861 1.451 2.662 1.00 0.00 O ATOM 264 CB PHE A 19 -10.654 3.134 5.275 1.00 0.00 C ATOM 265 CG PHE A 19 -10.194 2.010 6.185 1.00 0.00 C ATOM 266 CD1 PHE A 19 -8.833 1.848 6.487 1.00 0.00 C ATOM 267 CD2 PHE A 19 -11.138 1.125 6.723 1.00 0.00 C ATOM 268 CE1 PHE A 19 -8.422 0.801 7.328 1.00 0.00 C ATOM 269 CE2 PHE A 19 -10.727 0.082 7.563 1.00 0.00 C ATOM 270 CZ PHE A 19 -9.368 -0.082 7.868 1.00 0.00 C ATOM 0 H PHE A 19 -11.577 4.069 3.066 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.882 3.536 4.181 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.544 4.082 5.802 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -11.716 3.007 5.067 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -8.103 2.528 6.073 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.185 1.247 6.489 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.375 0.676 7.559 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.458 -0.597 7.976 1.00 0.00 H new ATOM 0 HZ PHE A 19 -9.051 -0.885 8.516 1.00 0.00 H new ATOM 280 N ILE A 20 -8.715 1.181 3.288 1.00 0.00 N ATOM 281 CA ILE A 20 -8.541 -0.103 2.628 1.00 0.00 C ATOM 282 C ILE A 20 -7.976 -1.078 3.652 1.00 0.00 C ATOM 283 O ILE A 20 -6.816 -0.962 4.029 1.00 0.00 O ATOM 284 CB ILE A 20 -7.583 0.050 1.433 1.00 0.00 C ATOM 285 CG1 ILE A 20 -8.060 1.142 0.469 1.00 0.00 C ATOM 286 CG2 ILE A 20 -7.466 -1.294 0.706 1.00 0.00 C ATOM 287 CD1 ILE A 20 -6.956 1.547 -0.512 1.00 0.00 C ATOM 0 H ILE A 20 -7.885 1.506 3.784 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.492 -0.475 2.247 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.604 0.351 1.806 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.928 0.785 -0.086 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.381 2.015 1.037 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.788 -1.191 -0.142 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.077 -2.046 1.392 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.449 -1.602 0.349 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.330 2.323 -1.180 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.098 1.928 0.042 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.653 0.679 -1.098 1.00 0.00 H new ATOM 299 N GLY A 21 -8.793 -2.030 4.099 1.00 0.00 N ATOM 300 CA GLY A 21 -8.397 -2.982 5.129 1.00 0.00 C ATOM 301 C GLY A 21 -8.318 -4.410 4.606 1.00 0.00 C ATOM 302 O GLY A 21 -8.791 -4.708 3.510 1.00 0.00 O ATOM 0 H GLY A 21 -9.745 -2.161 3.757 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.427 -2.692 5.533 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.110 -2.939 5.952 1.00 0.00 H new ATOM 306 N ASN A 22 -7.714 -5.298 5.407 1.00 0.00 N ATOM 307 CA ASN A 22 -7.531 -6.713 5.096 1.00 0.00 C ATOM 308 C ASN A 22 -6.710 -6.921 3.816 1.00 0.00 C ATOM 309 O ASN A 22 -6.538 -8.052 3.363 1.00 0.00 O ATOM 310 CB ASN A 22 -8.888 -7.427 5.067 1.00 0.00 C ATOM 311 CG ASN A 22 -8.733 -8.942 5.143 1.00 0.00 C ATOM 312 OD1 ASN A 22 -8.556 -9.498 6.223 1.00 0.00 O ATOM 313 ND2 ASN A 22 -8.800 -9.622 4.003 1.00 0.00 N ATOM 0 H ASN A 22 -7.329 -5.039 6.315 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.941 -7.170 5.891 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.498 -7.082 5.902 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.419 -7.161 4.153 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.703 -10.637 4.008 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.948 -9.128 3.123 1.00 0.00 H new ATOM 320 N LEU A 23 -6.203 -5.835 3.232 1.00 0.00 N ATOM 321 CA LEU A 23 -5.385 -5.892 2.037 1.00 0.00 C ATOM 322 C LEU A 23 -4.081 -6.610 2.359 1.00 0.00 C ATOM 323 O LEU A 23 -3.523 -6.434 3.442 1.00 0.00 O ATOM 324 CB LEU A 23 -5.133 -4.462 1.549 1.00 0.00 C ATOM 325 CG LEU A 23 -4.106 -4.365 0.415 1.00 0.00 C ATOM 326 CD1 LEU A 23 -4.551 -5.135 -0.828 1.00 0.00 C ATOM 327 CD2 LEU A 23 -3.928 -2.896 0.040 1.00 0.00 C ATOM 0 H LEU A 23 -6.354 -4.889 3.583 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.889 -6.446 1.245 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.076 -4.033 1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.791 -3.857 2.389 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.172 -4.802 0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.794 -5.039 -1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.682 -6.188 -0.577 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.496 -4.728 -1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.199 -2.812 -0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.883 -2.486 -0.290 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.574 -2.339 0.908 1.00 0.00 H new ATOM 339 N ASN A 24 -3.589 -7.421 1.420 1.00 0.00 N ATOM 340 CA ASN A 24 -2.287 -8.039 1.560 1.00 0.00 C ATOM 341 C ASN A 24 -1.216 -6.993 1.293 1.00 0.00 C ATOM 342 O ASN A 24 -1.267 -6.296 0.284 1.00 0.00 O ATOM 343 CB ASN A 24 -2.163 -9.220 0.624 1.00 0.00 C ATOM 344 CG ASN A 24 -0.713 -9.629 0.452 1.00 0.00 C ATOM 345 OD1 ASN A 24 -0.060 -10.081 1.386 1.00 0.00 O ATOM 346 ND2 ASN A 24 -0.209 -9.464 -0.761 1.00 0.00 N ATOM 0 H ASN A 24 -4.079 -7.659 0.558 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.159 -8.418 2.574 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.737 -10.060 1.015 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.590 -8.966 -0.346 1.00 0.00 H new ATOM 0 HD21 ASN A 24 0.761 -9.717 -0.949 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.791 -9.084 -1.508 1.00 0.00 H new ATOM 353 N THR A 25 -0.248 -6.888 2.202 1.00 0.00 N ATOM 354 CA THR A 25 0.762 -5.849 2.138 1.00 0.00 C ATOM 355 C THR A 25 2.164 -6.430 2.061 1.00 0.00 C ATOM 356 O THR A 25 3.143 -5.720 2.281 1.00 0.00 O ATOM 357 CB THR A 25 0.565 -4.870 3.299 1.00 0.00 C ATOM 358 OG1 THR A 25 0.759 -5.535 4.528 1.00 0.00 O ATOM 359 CG2 THR A 25 -0.865 -4.328 3.256 1.00 0.00 C ATOM 0 H THR A 25 -0.147 -7.520 2.997 1.00 0.00 H new ATOM 0 HA THR A 25 0.642 -5.284 1.214 1.00 0.00 H new ATOM 0 HB THR A 25 1.284 -4.056 3.208 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.701 -5.788 4.618 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.014 -3.630 4.080 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.031 -3.814 2.309 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.570 -5.154 3.348 1.00 0.00 H new ATOM 367 N LEU A 26 2.265 -7.729 1.749 1.00 0.00 N ATOM 368 CA LEU A 26 3.562 -8.362 1.537 1.00 0.00 C ATOM 369 C LEU A 26 3.916 -8.355 0.051 1.00 0.00 C ATOM 370 O LEU A 26 5.045 -8.672 -0.315 1.00 0.00 O ATOM 371 CB LEU A 26 3.560 -9.805 2.054 1.00 0.00 C ATOM 372 CG LEU A 26 2.973 -10.007 3.452 1.00 0.00 C ATOM 373 CD1 LEU A 26 3.427 -11.382 3.936 1.00 0.00 C ATOM 374 CD2 LEU A 26 3.413 -8.960 4.473 1.00 0.00 C ATOM 0 H LEU A 26 1.466 -8.354 1.640 1.00 0.00 H new ATOM 0 HA LEU A 26 4.308 -7.793 2.092 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.000 -10.422 1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.586 -10.173 2.054 1.00 0.00 H new ATOM 0 HG LEU A 26 1.890 -9.914 3.372 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.028 -11.566 4.934 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.061 -12.148 3.252 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.516 -11.415 3.969 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.952 -9.176 5.437 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.498 -8.985 4.575 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.103 -7.971 4.136 1.00 0.00 H new ATOM 386 N VAL A 27 2.951 -7.998 -0.805 1.00 0.00 N ATOM 387 CA VAL A 27 3.141 -8.000 -2.251 1.00 0.00 C ATOM 388 C VAL A 27 2.646 -6.696 -2.863 1.00 0.00 C ATOM 389 O VAL A 27 3.066 -6.340 -3.960 1.00 0.00 O ATOM 390 CB VAL A 27 2.414 -9.203 -2.867 1.00 0.00 C ATOM 391 CG1 VAL A 27 2.791 -9.371 -4.337 1.00 0.00 C ATOM 392 CG2 VAL A 27 2.768 -10.496 -2.135 1.00 0.00 C ATOM 0 H VAL A 27 2.021 -7.701 -0.511 1.00 0.00 H new ATOM 0 HA VAL A 27 4.206 -8.084 -2.467 1.00 0.00 H new ATOM 0 HB VAL A 27 1.345 -9.009 -2.775 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.263 -10.230 -4.752 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.513 -8.473 -4.889 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.866 -9.530 -4.421 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.238 -11.331 -2.594 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.842 -10.669 -2.200 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.477 -10.413 -1.088 1.00 0.00 H new ATOM 402 N VAL A 28 1.762 -5.972 -2.170 1.00 0.00 N ATOM 403 CA VAL A 28 1.312 -4.668 -2.635 1.00 0.00 C ATOM 404 C VAL A 28 2.337 -3.624 -2.194 1.00 0.00 C ATOM 405 O VAL A 28 3.063 -3.841 -1.226 1.00 0.00 O ATOM 406 CB VAL A 28 -0.107 -4.377 -2.126 1.00 0.00 C ATOM 407 CG1 VAL A 28 -0.078 -3.544 -0.848 1.00 0.00 C ATOM 408 CG2 VAL A 28 -0.934 -3.623 -3.168 1.00 0.00 C ATOM 0 H VAL A 28 1.348 -6.271 -1.287 1.00 0.00 H new ATOM 0 HA VAL A 28 1.248 -4.641 -3.723 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.566 -5.345 -1.926 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.098 -3.355 -0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.464 -4.086 -0.073 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.421 -2.595 -1.044 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.932 -3.434 -2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.450 -2.674 -3.399 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.010 -4.222 -4.075 1.00 0.00 H new ATOM 418 N LYS A 29 2.400 -2.495 -2.899 1.00 0.00 N ATOM 419 CA LYS A 29 3.326 -1.419 -2.578 1.00 0.00 C ATOM 420 C LYS A 29 2.654 -0.063 -2.764 1.00 0.00 C ATOM 421 O LYS A 29 1.531 0.018 -3.260 1.00 0.00 O ATOM 422 CB LYS A 29 4.608 -1.509 -3.421 1.00 0.00 C ATOM 423 CG LYS A 29 4.396 -2.146 -4.796 1.00 0.00 C ATOM 424 CD LYS A 29 4.765 -3.628 -4.735 1.00 0.00 C ATOM 425 CE LYS A 29 4.277 -4.333 -5.995 1.00 0.00 C ATOM 426 NZ LYS A 29 4.782 -5.720 -6.058 1.00 0.00 N ATOM 0 H LYS A 29 1.809 -2.304 -3.708 1.00 0.00 H new ATOM 0 HA LYS A 29 3.611 -1.526 -1.531 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.016 -0.507 -3.554 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.353 -2.087 -2.873 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.357 -2.032 -5.105 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.008 -1.639 -5.542 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.845 -3.740 -4.640 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.318 -4.088 -3.854 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.187 -4.338 -6.013 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.608 -3.782 -6.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.595 -6.115 -7.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.806 -5.725 -5.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.301 -6.298 -5.340 1.00 0.00 H new ATOM 440 N LYS A 30 3.349 1.005 -2.365 1.00 0.00 N ATOM 441 CA LYS A 30 2.858 2.368 -2.506 1.00 0.00 C ATOM 442 C LYS A 30 2.528 2.677 -3.961 1.00 0.00 C ATOM 443 O LYS A 30 1.634 3.478 -4.215 1.00 0.00 O ATOM 444 CB LYS A 30 3.935 3.327 -1.986 1.00 0.00 C ATOM 445 CG LYS A 30 3.601 4.800 -2.244 1.00 0.00 C ATOM 446 CD LYS A 30 2.306 5.227 -1.546 1.00 0.00 C ATOM 447 CE LYS A 30 1.982 6.681 -1.895 1.00 0.00 C ATOM 448 NZ LYS A 30 2.989 7.612 -1.349 1.00 0.00 N ATOM 0 H LYS A 30 4.271 0.943 -1.934 1.00 0.00 H new ATOM 0 HA LYS A 30 1.941 2.488 -1.928 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.065 3.172 -0.915 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.887 3.088 -2.461 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.423 5.424 -1.895 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.506 4.968 -3.317 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.486 4.578 -1.854 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.411 5.118 -0.467 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.933 6.793 -2.978 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.998 6.939 -1.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.637 8.588 -1.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.165 7.385 -0.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.875 7.520 -1.886 1.00 0.00 H new ATOM 462 N SER A 31 3.232 2.048 -4.904 1.00 0.00 N ATOM 463 CA SER A 31 3.042 2.292 -6.328 1.00 0.00 C ATOM 464 C SER A 31 1.892 1.462 -6.887 1.00 0.00 C ATOM 465 O SER A 31 1.512 1.640 -8.042 1.00 0.00 O ATOM 466 CB SER A 31 4.340 1.989 -7.072 1.00 0.00 C ATOM 467 OG SER A 31 5.387 2.769 -6.538 1.00 0.00 O ATOM 0 H SER A 31 3.951 1.354 -4.697 1.00 0.00 H new ATOM 0 HA SER A 31 2.781 3.341 -6.470 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.582 0.930 -6.985 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.220 2.202 -8.134 1.00 0.00 H new ATOM 0 HG SER A 31 6.219 2.571 -7.016 1.00 0.00 H new ATOM 473 N ASP A 32 1.331 0.554 -6.082 1.00 0.00 N ATOM 474 CA ASP A 32 0.209 -0.267 -6.502 1.00 0.00 C ATOM 475 C ASP A 32 -1.106 0.350 -6.045 1.00 0.00 C ATOM 476 O ASP A 32 -2.072 0.356 -6.805 1.00 0.00 O ATOM 477 CB ASP A 32 0.383 -1.674 -5.928 1.00 0.00 C ATOM 478 CG ASP A 32 1.226 -2.571 -6.830 1.00 0.00 C ATOM 479 OD1 ASP A 32 2.112 -2.035 -7.530 1.00 0.00 O ATOM 480 OD2 ASP A 32 0.976 -3.795 -6.813 1.00 0.00 O ATOM 0 H ASP A 32 1.645 0.374 -5.128 1.00 0.00 H new ATOM 0 HA ASP A 32 0.183 -0.324 -7.590 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.852 -1.607 -4.946 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.597 -2.128 -5.783 1.00 0.00 H new ATOM 485 N VAL A 33 -1.171 0.879 -4.819 1.00 0.00 N ATOM 486 CA VAL A 33 -2.415 1.450 -4.319 1.00 0.00 C ATOM 487 C VAL A 33 -2.768 2.694 -5.129 1.00 0.00 C ATOM 488 O VAL A 33 -3.944 2.979 -5.358 1.00 0.00 O ATOM 489 CB VAL A 33 -2.283 1.764 -2.825 1.00 0.00 C ATOM 490 CG1 VAL A 33 -3.598 2.319 -2.279 1.00 0.00 C ATOM 491 CG2 VAL A 33 -1.932 0.499 -2.044 1.00 0.00 C ATOM 0 H VAL A 33 -0.388 0.922 -4.167 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.226 0.731 -4.435 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.491 2.504 -2.707 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.488 2.537 -1.217 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.856 3.234 -2.812 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.389 1.582 -2.418 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.842 0.739 -0.985 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.718 -0.244 -2.182 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.986 0.098 -2.407 1.00 0.00 H new ATOM 501 N GLU A 34 -1.756 3.441 -5.578 1.00 0.00 N ATOM 502 CA GLU A 34 -1.971 4.625 -6.401 1.00 0.00 C ATOM 503 C GLU A 34 -2.206 4.248 -7.865 1.00 0.00 C ATOM 504 O GLU A 34 -2.387 5.125 -8.707 1.00 0.00 O ATOM 505 CB GLU A 34 -0.802 5.604 -6.239 1.00 0.00 C ATOM 506 CG GLU A 34 0.504 5.020 -6.778 1.00 0.00 C ATOM 507 CD GLU A 34 1.651 6.031 -6.678 1.00 0.00 C ATOM 508 OE1 GLU A 34 1.798 6.648 -5.600 1.00 0.00 O ATOM 509 OE2 GLU A 34 2.374 6.176 -7.689 1.00 0.00 O ATOM 0 H GLU A 34 -0.775 3.242 -5.382 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.875 5.127 -6.058 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.029 6.532 -6.763 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.681 5.855 -5.185 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.760 4.120 -6.219 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.369 4.722 -7.818 1.00 0.00 H new ATOM 516 N ALA A 35 -2.208 2.948 -8.178 1.00 0.00 N ATOM 517 CA ALA A 35 -2.456 2.453 -9.524 1.00 0.00 C ATOM 518 C ALA A 35 -3.743 1.625 -9.589 1.00 0.00 C ATOM 519 O ALA A 35 -4.204 1.283 -10.674 1.00 0.00 O ATOM 520 CB ALA A 35 -1.249 1.628 -9.969 1.00 0.00 C ATOM 0 H ALA A 35 -2.036 2.210 -7.496 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.593 3.298 -10.199 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.419 1.249 -10.977 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.357 2.255 -9.962 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.109 0.791 -9.286 1.00 0.00 H new ATOM 526 N ILE A 36 -4.328 1.305 -8.430 1.00 0.00 N ATOM 527 CA ILE A 36 -5.545 0.512 -8.330 1.00 0.00 C ATOM 528 C ILE A 36 -6.747 1.397 -8.001 1.00 0.00 C ATOM 529 O ILE A 36 -7.882 1.022 -8.286 1.00 0.00 O ATOM 530 CB ILE A 36 -5.315 -0.582 -7.278 1.00 0.00 C ATOM 531 CG1 ILE A 36 -4.244 -1.555 -7.788 1.00 0.00 C ATOM 532 CG2 ILE A 36 -6.598 -1.362 -6.981 1.00 0.00 C ATOM 533 CD1 ILE A 36 -3.644 -2.368 -6.639 1.00 0.00 C ATOM 0 H ILE A 36 -3.959 1.597 -7.525 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.774 0.040 -9.285 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.990 -0.099 -6.356 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.682 -2.229 -8.524 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.455 -0.999 -8.295 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.394 -2.127 -6.232 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.360 -0.679 -6.604 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.956 -1.836 -7.895 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.888 -3.049 -7.031 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.185 -1.693 -5.917 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.431 -2.942 -6.150 1.00 0.00 H new ATOM 545 N PHE A 37 -6.505 2.571 -7.406 1.00 0.00 N ATOM 546 CA PHE A 37 -7.575 3.490 -7.035 1.00 0.00 C ATOM 547 C PHE A 37 -7.552 4.765 -7.878 1.00 0.00 C ATOM 548 O PHE A 37 -8.461 5.586 -7.779 1.00 0.00 O ATOM 549 CB PHE A 37 -7.466 3.786 -5.538 1.00 0.00 C ATOM 550 CG PHE A 37 -7.836 2.604 -4.672 1.00 0.00 C ATOM 551 CD1 PHE A 37 -6.984 1.493 -4.591 1.00 0.00 C ATOM 552 CD2 PHE A 37 -9.039 2.620 -3.951 1.00 0.00 C ATOM 553 CE1 PHE A 37 -7.345 0.390 -3.805 1.00 0.00 C ATOM 554 CE2 PHE A 37 -9.401 1.516 -3.167 1.00 0.00 C ATOM 555 CZ PHE A 37 -8.548 0.403 -3.088 1.00 0.00 C ATOM 0 H PHE A 37 -5.570 2.904 -7.172 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.539 3.023 -7.238 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.446 4.092 -5.308 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.115 4.627 -5.292 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.050 1.487 -5.134 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -9.686 3.483 -4.000 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -6.695 -0.471 -3.752 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -10.335 1.521 -2.624 1.00 0.00 H new ATOM 0 HZ PHE A 37 -8.820 -0.443 -2.474 1.00 0.00 H new ATOM 565 N SER A 38 -6.525 4.951 -8.711 1.00 0.00 N ATOM 566 CA SER A 38 -6.441 6.129 -9.565 1.00 0.00 C ATOM 567 C SER A 38 -7.372 5.997 -10.777 1.00 0.00 C ATOM 568 O SER A 38 -7.534 6.944 -11.541 1.00 0.00 O ATOM 569 CB SER A 38 -4.982 6.346 -9.971 1.00 0.00 C ATOM 570 OG SER A 38 -4.844 7.531 -10.724 1.00 0.00 O ATOM 0 H SER A 38 -5.745 4.301 -8.809 1.00 0.00 H new ATOM 0 HA SER A 38 -6.779 7.008 -9.016 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.356 6.400 -9.080 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.632 5.495 -10.555 1.00 0.00 H new ATOM 0 HG SER A 38 -5.654 7.676 -11.256 1.00 0.00 H new ATOM 576 N LYS A 39 -7.994 4.825 -10.955 1.00 0.00 N ATOM 577 CA LYS A 39 -8.931 4.583 -12.047 1.00 0.00 C ATOM 578 C LYS A 39 -10.353 5.022 -11.686 1.00 0.00 C ATOM 579 O LYS A 39 -11.237 5.018 -12.544 1.00 0.00 O ATOM 580 CB LYS A 39 -8.910 3.101 -12.432 1.00 0.00 C ATOM 581 CG LYS A 39 -9.424 2.236 -11.278 1.00 0.00 C ATOM 582 CD LYS A 39 -9.550 0.777 -11.719 1.00 0.00 C ATOM 583 CE LYS A 39 -10.120 -0.034 -10.559 1.00 0.00 C ATOM 584 NZ LYS A 39 -10.396 -1.426 -10.954 1.00 0.00 N ATOM 0 H LYS A 39 -7.858 4.020 -10.343 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.614 5.183 -12.900 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -9.527 2.941 -13.316 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.895 2.802 -12.693 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.743 2.308 -10.430 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.393 2.606 -10.942 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.200 0.700 -12.590 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.576 0.385 -12.012 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.416 -0.024 -9.727 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.039 0.433 -10.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.020 -1.869 -10.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.861 -1.437 -11.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.502 -1.956 -11.007 1.00 0.00 H new ATOM 598 N TYR A 40 -10.574 5.396 -10.423 1.00 0.00 N ATOM 599 CA TYR A 40 -11.887 5.785 -9.929 1.00 0.00 C ATOM 600 C TYR A 40 -11.905 7.230 -9.434 1.00 0.00 C ATOM 601 O TYR A 40 -12.954 7.722 -9.022 1.00 0.00 O ATOM 602 CB TYR A 40 -12.314 4.819 -8.819 1.00 0.00 C ATOM 603 CG TYR A 40 -13.060 3.601 -9.319 1.00 0.00 C ATOM 604 CD1 TYR A 40 -14.215 3.767 -10.099 1.00 0.00 C ATOM 605 CD2 TYR A 40 -12.604 2.313 -9.001 1.00 0.00 C ATOM 606 CE1 TYR A 40 -14.915 2.646 -10.564 1.00 0.00 C ATOM 607 CE2 TYR A 40 -13.307 1.189 -9.460 1.00 0.00 C ATOM 608 CZ TYR A 40 -14.463 1.349 -10.247 1.00 0.00 C ATOM 609 OH TYR A 40 -15.141 0.256 -10.696 1.00 0.00 O ATOM 0 H TYR A 40 -9.840 5.436 -9.715 1.00 0.00 H new ATOM 0 HA TYR A 40 -12.598 5.729 -10.753 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -11.428 4.492 -8.275 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -12.945 5.353 -8.109 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -14.564 4.760 -10.341 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -11.713 2.187 -8.404 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -15.802 2.776 -11.166 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -12.960 0.198 -9.209 1.00 0.00 H new ATOM 0 HH TYR A 40 -14.691 -0.558 -10.386 1.00 0.00 H new ATOM 619 N GLY A 41 -10.764 7.922 -9.464 1.00 0.00 N ATOM 620 CA GLY A 41 -10.722 9.310 -9.040 1.00 0.00 C ATOM 621 C GLY A 41 -9.311 9.874 -9.042 1.00 0.00 C ATOM 622 O GLY A 41 -8.334 9.130 -9.136 1.00 0.00 O ATOM 0 H GLY A 41 -9.870 7.543 -9.775 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.350 9.908 -9.700 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.142 9.394 -8.038 1.00 0.00 H new ATOM 626 N LYS A 42 -9.209 11.202 -8.936 1.00 0.00 N ATOM 627 CA LYS A 42 -7.929 11.888 -8.862 1.00 0.00 C ATOM 628 C LYS A 42 -7.378 11.756 -7.447 1.00 0.00 C ATOM 629 O LYS A 42 -7.927 12.335 -6.508 1.00 0.00 O ATOM 630 CB LYS A 42 -8.117 13.360 -9.250 1.00 0.00 C ATOM 631 CG LYS A 42 -6.876 14.196 -8.918 1.00 0.00 C ATOM 632 CD LYS A 42 -5.617 13.682 -9.616 1.00 0.00 C ATOM 633 CE LYS A 42 -4.417 14.471 -9.088 1.00 0.00 C ATOM 634 NZ LYS A 42 -3.164 14.041 -9.739 1.00 0.00 N ATOM 0 H LYS A 42 -10.015 11.826 -8.900 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.216 11.442 -9.556 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.329 13.431 -10.317 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.981 13.767 -8.725 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.051 15.232 -9.209 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.717 14.191 -7.840 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.485 12.617 -9.424 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.705 13.803 -10.696 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.573 15.535 -9.263 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.335 14.334 -8.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.369 14.594 -9.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.004 13.031 -9.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.235 14.195 -10.765 1.00 0.00 H new ATOM 648 N ILE A 43 -6.292 10.998 -7.292 1.00 0.00 N ATOM 649 CA ILE A 43 -5.633 10.855 -6.009 1.00 0.00 C ATOM 650 C ILE A 43 -4.694 12.039 -5.820 1.00 0.00 C ATOM 651 O ILE A 43 -3.854 12.311 -6.677 1.00 0.00 O ATOM 652 CB ILE A 43 -4.898 9.508 -5.942 1.00 0.00 C ATOM 653 CG1 ILE A 43 -5.909 8.361 -6.069 1.00 0.00 C ATOM 654 CG2 ILE A 43 -4.132 9.406 -4.626 1.00 0.00 C ATOM 655 CD1 ILE A 43 -5.273 6.973 -5.940 1.00 0.00 C ATOM 0 H ILE A 43 -5.854 10.474 -8.049 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.359 10.856 -5.196 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.187 9.438 -6.765 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.675 8.475 -5.301 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.411 8.434 -7.034 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.612 8.449 -4.581 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.407 10.217 -4.563 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.830 9.479 -3.792 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.044 6.209 -6.039 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.527 6.840 -6.724 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.795 6.881 -4.965 1.00 0.00 H new ATOM 667 N VAL A 44 -4.836 12.739 -4.693 1.00 0.00 N ATOM 668 CA VAL A 44 -3.984 13.867 -4.343 1.00 0.00 C ATOM 669 C VAL A 44 -3.163 13.555 -3.096 1.00 0.00 C ATOM 670 O VAL A 44 -2.382 14.388 -2.643 1.00 0.00 O ATOM 671 CB VAL A 44 -4.816 15.144 -4.177 1.00 0.00 C ATOM 672 CG1 VAL A 44 -5.285 15.625 -5.550 1.00 0.00 C ATOM 673 CG2 VAL A 44 -6.034 14.907 -3.285 1.00 0.00 C ATOM 0 H VAL A 44 -5.552 12.534 -3.996 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.282 14.041 -5.159 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.187 15.898 -3.703 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.877 16.533 -5.435 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.419 15.834 -6.178 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.894 14.852 -6.018 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.601 15.833 -3.189 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.667 14.139 -3.730 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.705 14.580 -2.299 1.00 0.00 H new ATOM 683 N GLY A 45 -3.339 12.353 -2.547 1.00 0.00 N ATOM 684 CA GLY A 45 -2.565 11.877 -1.414 1.00 0.00 C ATOM 685 C GLY A 45 -2.735 10.369 -1.288 1.00 0.00 C ATOM 686 O GLY A 45 -3.831 9.852 -1.496 1.00 0.00 O ATOM 0 H GLY A 45 -4.029 11.682 -2.883 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.512 12.126 -1.547 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.896 12.370 -0.500 1.00 0.00 H new ATOM 690 N CYS A 46 -1.665 9.649 -0.950 1.00 0.00 N ATOM 691 CA CYS A 46 -1.745 8.201 -0.836 1.00 0.00 C ATOM 692 C CYS A 46 -0.718 7.669 0.160 1.00 0.00 C ATOM 693 O CYS A 46 0.350 8.256 0.339 1.00 0.00 O ATOM 694 CB CYS A 46 -1.532 7.588 -2.223 1.00 0.00 C ATOM 695 SG CYS A 46 -1.671 5.781 -2.143 1.00 0.00 S ATOM 0 H CYS A 46 -0.745 10.043 -0.753 1.00 0.00 H new ATOM 0 HA CYS A 46 -2.729 7.921 -0.460 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -2.269 7.985 -2.920 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.550 7.867 -2.604 1.00 0.00 H new ATOM 0 HG CYS A 46 -1.702 5.294 -3.348 1.00 0.00 H new ATOM 701 N SER A 47 -1.050 6.549 0.801 1.00 0.00 N ATOM 702 CA SER A 47 -0.160 5.864 1.722 1.00 0.00 C ATOM 703 C SER A 47 -0.519 4.386 1.797 1.00 0.00 C ATOM 704 O SER A 47 -1.624 3.982 1.440 1.00 0.00 O ATOM 705 CB SER A 47 -0.262 6.499 3.108 1.00 0.00 C ATOM 706 OG SER A 47 -1.533 6.262 3.669 1.00 0.00 O ATOM 0 H SER A 47 -1.955 6.091 0.691 1.00 0.00 H new ATOM 0 HA SER A 47 0.864 5.957 1.361 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.511 6.091 3.759 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.084 7.572 3.037 1.00 0.00 H new ATOM 0 HG SER A 47 -1.443 5.669 4.444 1.00 0.00 H new ATOM 712 N VAL A 48 0.428 3.572 2.265 1.00 0.00 N ATOM 713 CA VAL A 48 0.224 2.142 2.423 1.00 0.00 C ATOM 714 C VAL A 48 0.950 1.686 3.685 1.00 0.00 C ATOM 715 O VAL A 48 2.025 2.190 4.011 1.00 0.00 O ATOM 716 CB VAL A 48 0.668 1.404 1.155 1.00 0.00 C ATOM 717 CG1 VAL A 48 2.128 1.681 0.820 1.00 0.00 C ATOM 718 CG2 VAL A 48 0.457 -0.104 1.288 1.00 0.00 C ATOM 0 H VAL A 48 1.356 3.891 2.544 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.832 1.904 2.550 1.00 0.00 H new ATOM 0 HB VAL A 48 0.047 1.782 0.343 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.403 1.139 -0.085 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.268 2.750 0.660 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.759 1.352 1.645 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.781 -0.599 0.373 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.039 -0.480 2.130 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.600 -0.310 1.457 1.00 0.00 H new ATOM 728 N HIS A 49 0.353 0.731 4.401 1.00 0.00 N ATOM 729 CA HIS A 49 0.831 0.281 5.699 1.00 0.00 C ATOM 730 C HIS A 49 0.730 -1.237 5.791 1.00 0.00 C ATOM 731 O HIS A 49 0.491 -1.900 4.784 1.00 0.00 O ATOM 732 CB HIS A 49 -0.025 0.948 6.785 1.00 0.00 C ATOM 733 CG HIS A 49 -0.137 2.444 6.638 1.00 0.00 C ATOM 734 ND1 HIS A 49 0.636 3.388 7.316 1.00 0.00 N ATOM 735 CD2 HIS A 49 -1.017 3.088 5.817 1.00 0.00 C ATOM 736 CE1 HIS A 49 0.194 4.583 6.883 1.00 0.00 C ATOM 737 NE2 HIS A 49 -0.789 4.434 5.977 1.00 0.00 N ATOM 0 H HIS A 49 -0.487 0.245 4.087 1.00 0.00 H new ATOM 0 HA HIS A 49 1.876 0.558 5.836 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.025 0.514 6.764 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.401 0.719 7.762 1.00 0.00 H new ATOM 0 HD1 HIS A 49 1.377 3.210 7.994 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -1.749 2.630 5.169 1.00 0.00 H new ATOM 0 HE1 HIS A 49 0.578 5.535 7.218 1.00 0.00 H new ATOM 745 N LYS A 50 0.909 -1.806 6.988 1.00 0.00 N ATOM 746 CA LYS A 50 0.712 -3.233 7.198 1.00 0.00 C ATOM 747 C LYS A 50 -0.778 -3.536 7.319 1.00 0.00 C ATOM 748 O LYS A 50 -1.462 -2.973 8.173 1.00 0.00 O ATOM 749 CB LYS A 50 1.454 -3.690 8.456 1.00 0.00 C ATOM 750 CG LYS A 50 2.943 -3.945 8.212 1.00 0.00 C ATOM 751 CD LYS A 50 3.128 -5.171 7.308 1.00 0.00 C ATOM 752 CE LYS A 50 4.599 -5.595 7.233 1.00 0.00 C ATOM 753 NZ LYS A 50 5.096 -6.056 8.542 1.00 0.00 N ATOM 0 H LYS A 50 1.191 -1.294 7.824 1.00 0.00 H new ATOM 0 HA LYS A 50 1.114 -3.778 6.344 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.343 -2.933 9.232 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.992 -4.602 8.833 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.398 -3.070 7.748 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.453 -4.104 9.162 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.528 -5.998 7.688 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.762 -4.945 6.307 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.712 -6.392 6.498 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.203 -4.756 6.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.957 -6.624 8.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.315 -5.233 9.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.368 -6.636 9.005 1.00 0.00 H new ATOM 767 N GLY A 51 -1.278 -4.435 6.468 1.00 0.00 N ATOM 768 CA GLY A 51 -2.657 -4.894 6.488 1.00 0.00 C ATOM 769 C GLY A 51 -3.675 -3.859 5.998 1.00 0.00 C ATOM 770 O GLY A 51 -4.836 -4.208 5.793 1.00 0.00 O ATOM 0 H GLY A 51 -0.719 -4.869 5.733 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.739 -5.788 5.869 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.915 -5.186 7.506 1.00 0.00 H new ATOM 774 N PHE A 52 -3.276 -2.596 5.804 1.00 0.00 N ATOM 775 CA PHE A 52 -4.189 -1.570 5.311 1.00 0.00 C ATOM 776 C PHE A 52 -3.464 -0.505 4.498 1.00 0.00 C ATOM 777 O PHE A 52 -2.237 -0.462 4.461 1.00 0.00 O ATOM 778 CB PHE A 52 -4.937 -0.903 6.472 1.00 0.00 C ATOM 779 CG PHE A 52 -4.058 -0.187 7.470 1.00 0.00 C ATOM 780 CD1 PHE A 52 -3.531 -0.876 8.567 1.00 0.00 C ATOM 781 CD2 PHE A 52 -3.775 1.174 7.298 1.00 0.00 C ATOM 782 CE1 PHE A 52 -2.712 -0.210 9.491 1.00 0.00 C ATOM 783 CE2 PHE A 52 -2.959 1.841 8.217 1.00 0.00 C ATOM 784 CZ PHE A 52 -2.425 1.150 9.313 1.00 0.00 C ATOM 0 H PHE A 52 -2.328 -2.265 5.982 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.903 -2.071 4.658 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.651 -0.189 6.062 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.513 -1.664 6.998 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.755 -1.924 8.703 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.187 1.709 6.455 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.304 -0.744 10.337 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.740 2.890 8.082 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.792 1.666 10.020 1.00 0.00 H new ATOM 794 N ALA A 53 -4.243 0.359 3.849 1.00 0.00 N ATOM 795 CA ALA A 53 -3.733 1.489 3.092 1.00 0.00 C ATOM 796 C ALA A 53 -4.755 2.625 3.108 1.00 0.00 C ATOM 797 O ALA A 53 -5.916 2.410 3.466 1.00 0.00 O ATOM 798 CB ALA A 53 -3.428 1.039 1.663 1.00 0.00 C ATOM 0 H ALA A 53 -5.260 0.288 3.837 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.812 1.858 3.544 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.045 1.883 1.090 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.681 0.245 1.683 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.340 0.668 1.196 1.00 0.00 H new ATOM 804 N PHE A 54 -4.333 3.829 2.721 1.00 0.00 N ATOM 805 CA PHE A 54 -5.194 5.002 2.707 1.00 0.00 C ATOM 806 C PHE A 54 -4.989 5.797 1.426 1.00 0.00 C ATOM 807 O PHE A 54 -3.864 5.956 0.947 1.00 0.00 O ATOM 808 CB PHE A 54 -4.927 5.853 3.952 1.00 0.00 C ATOM 809 CG PHE A 54 -5.854 5.513 5.096 1.00 0.00 C ATOM 810 CD1 PHE A 54 -7.188 5.935 5.043 1.00 0.00 C ATOM 811 CD2 PHE A 54 -5.395 4.781 6.199 1.00 0.00 C ATOM 812 CE1 PHE A 54 -8.071 5.610 6.078 1.00 0.00 C ATOM 813 CE2 PHE A 54 -6.277 4.451 7.234 1.00 0.00 C ATOM 814 CZ PHE A 54 -7.617 4.860 7.169 1.00 0.00 C ATOM 0 H PHE A 54 -3.380 4.014 2.408 1.00 0.00 H new ATOM 0 HA PHE A 54 -6.237 4.687 2.729 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.894 5.710 4.271 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -5.040 6.907 3.698 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -7.536 6.513 4.200 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.361 4.472 6.250 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -9.100 5.937 6.035 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.926 3.882 8.082 1.00 0.00 H new ATOM 0 HZ PHE A 54 -8.300 4.596 7.963 1.00 0.00 H new ATOM 824 N VAL A 55 -6.094 6.298 0.866 1.00 0.00 N ATOM 825 CA VAL A 55 -6.078 7.054 -0.378 1.00 0.00 C ATOM 826 C VAL A 55 -6.960 8.285 -0.230 1.00 0.00 C ATOM 827 O VAL A 55 -8.136 8.171 0.103 1.00 0.00 O ATOM 828 CB VAL A 55 -6.575 6.173 -1.527 1.00 0.00 C ATOM 829 CG1 VAL A 55 -6.665 6.993 -2.815 1.00 0.00 C ATOM 830 CG2 VAL A 55 -5.618 5.007 -1.760 1.00 0.00 C ATOM 0 H VAL A 55 -7.025 6.187 1.268 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.060 7.372 -0.602 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.559 5.790 -1.258 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.019 6.358 -3.627 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.360 7.820 -2.672 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.680 7.386 -3.066 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.987 4.392 -2.580 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.630 5.392 -2.012 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.552 4.404 -0.855 1.00 0.00 H new ATOM 840 N GLN A 56 -6.382 9.462 -0.481 1.00 0.00 N ATOM 841 CA GLN A 56 -7.062 10.737 -0.348 1.00 0.00 C ATOM 842 C GLN A 56 -7.403 11.274 -1.737 1.00 0.00 C ATOM 843 O GLN A 56 -6.509 11.587 -2.523 1.00 0.00 O ATOM 844 CB GLN A 56 -6.135 11.682 0.421 1.00 0.00 C ATOM 845 CG GLN A 56 -6.684 13.099 0.579 1.00 0.00 C ATOM 846 CD GLN A 56 -7.945 13.119 1.426 1.00 0.00 C ATOM 847 OE1 GLN A 56 -7.886 13.151 2.650 1.00 0.00 O ATOM 848 NE2 GLN A 56 -9.096 13.097 0.769 1.00 0.00 N ATOM 0 H GLN A 56 -5.413 9.549 -0.787 1.00 0.00 H new ATOM 0 HA GLN A 56 -7.999 10.638 0.201 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.946 11.264 1.410 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.175 11.731 -0.093 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.927 13.734 1.038 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.899 13.518 -0.404 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.101 13.071 -0.251 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.977 13.107 1.283 1.00 0.00 H new ATOM 857 N TYR A 57 -8.701 11.378 -2.036 1.00 0.00 N ATOM 858 CA TYR A 57 -9.178 11.943 -3.292 1.00 0.00 C ATOM 859 C TYR A 57 -9.438 13.439 -3.129 1.00 0.00 C ATOM 860 O TYR A 57 -9.212 14.005 -2.059 1.00 0.00 O ATOM 861 CB TYR A 57 -10.459 11.240 -3.737 1.00 0.00 C ATOM 862 CG TYR A 57 -10.297 9.825 -4.239 1.00 0.00 C ATOM 863 CD1 TYR A 57 -9.401 9.540 -5.282 1.00 0.00 C ATOM 864 CD2 TYR A 57 -11.076 8.801 -3.682 1.00 0.00 C ATOM 865 CE1 TYR A 57 -9.318 8.244 -5.805 1.00 0.00 C ATOM 866 CE2 TYR A 57 -11.006 7.505 -4.210 1.00 0.00 C ATOM 867 CZ TYR A 57 -10.132 7.227 -5.278 1.00 0.00 C ATOM 868 OH TYR A 57 -10.082 5.970 -5.794 1.00 0.00 O ATOM 0 H TYR A 57 -9.447 11.072 -1.411 1.00 0.00 H new ATOM 0 HA TYR A 57 -8.412 11.795 -4.053 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -11.154 11.229 -2.898 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -10.921 11.834 -4.526 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -8.774 10.323 -5.682 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -11.729 9.011 -2.848 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -8.631 8.027 -6.610 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -11.622 6.720 -3.798 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.727 6.005 -6.707 1.00 0.00 H new ATOM 878 N VAL A 58 -9.918 14.082 -4.198 1.00 0.00 N ATOM 879 CA VAL A 58 -10.203 15.513 -4.188 1.00 0.00 C ATOM 880 C VAL A 58 -11.572 15.799 -3.573 1.00 0.00 C ATOM 881 O VAL A 58 -11.789 16.879 -3.030 1.00 0.00 O ATOM 882 CB VAL A 58 -10.128 16.053 -5.620 1.00 0.00 C ATOM 883 CG1 VAL A 58 -10.428 17.550 -5.667 1.00 0.00 C ATOM 884 CG2 VAL A 58 -8.725 15.839 -6.189 1.00 0.00 C ATOM 0 H VAL A 58 -10.118 13.625 -5.088 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.458 16.017 -3.572 1.00 0.00 H new ATOM 0 HB VAL A 58 -10.871 15.514 -6.208 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.366 17.901 -6.697 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.431 17.732 -5.281 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.701 18.086 -5.057 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.682 16.226 -7.207 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.997 16.364 -5.570 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.494 14.774 -6.196 1.00 0.00 H new ATOM 894 N ASN A 59 -12.505 14.841 -3.651 1.00 0.00 N ATOM 895 CA ASN A 59 -13.868 15.027 -3.167 1.00 0.00 C ATOM 896 C ASN A 59 -14.506 13.703 -2.748 1.00 0.00 C ATOM 897 O ASN A 59 -13.922 12.635 -2.924 1.00 0.00 O ATOM 898 CB ASN A 59 -14.696 15.692 -4.270 1.00 0.00 C ATOM 899 CG ASN A 59 -14.717 14.847 -5.532 1.00 0.00 C ATOM 900 OD1 ASN A 59 -15.189 13.717 -5.524 1.00 0.00 O ATOM 901 ND2 ASN A 59 -14.201 15.388 -6.624 1.00 0.00 N ATOM 0 H ASN A 59 -12.331 13.919 -4.051 1.00 0.00 H new ATOM 0 HA ASN A 59 -13.841 15.663 -2.282 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -15.716 15.848 -3.918 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -14.282 16.675 -4.495 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -14.188 14.861 -7.497 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.817 16.332 -6.593 1.00 0.00 H new ATOM 908 N GLU A 60 -15.717 13.789 -2.190 1.00 0.00 N ATOM 909 CA GLU A 60 -16.455 12.630 -1.695 1.00 0.00 C ATOM 910 C GLU A 60 -16.900 11.731 -2.845 1.00 0.00 C ATOM 911 O GLU A 60 -16.898 10.509 -2.714 1.00 0.00 O ATOM 912 CB GLU A 60 -17.666 13.128 -0.896 1.00 0.00 C ATOM 913 CG GLU A 60 -18.682 12.005 -0.669 1.00 0.00 C ATOM 914 CD GLU A 60 -19.768 12.420 0.319 1.00 0.00 C ATOM 915 OE1 GLU A 60 -20.286 13.551 0.181 1.00 0.00 O ATOM 916 OE2 GLU A 60 -20.074 11.596 1.211 1.00 0.00 O ATOM 0 H GLU A 60 -16.214 14.672 -2.070 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.807 12.035 -1.052 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.334 13.521 0.065 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -18.143 13.951 -1.429 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -19.140 11.730 -1.619 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -18.168 11.119 -0.295 1.00 0.00 H new ATOM 923 N ARG A 61 -17.282 12.327 -3.973 1.00 0.00 N ATOM 924 CA ARG A 61 -17.772 11.608 -5.136 1.00 0.00 C ATOM 925 C ARG A 61 -16.724 10.600 -5.608 1.00 0.00 C ATOM 926 O ARG A 61 -17.065 9.486 -5.998 1.00 0.00 O ATOM 927 CB ARG A 61 -18.122 12.678 -6.179 1.00 0.00 C ATOM 928 CG ARG A 61 -17.821 12.293 -7.620 1.00 0.00 C ATOM 929 CD ARG A 61 -18.726 11.163 -8.099 1.00 0.00 C ATOM 930 NE ARG A 61 -20.123 11.597 -8.200 1.00 0.00 N ATOM 931 CZ ARG A 61 -21.144 10.778 -8.461 1.00 0.00 C ATOM 932 NH1 ARG A 61 -20.939 9.474 -8.642 1.00 0.00 N ATOM 933 NH2 ARG A 61 -22.379 11.260 -8.544 1.00 0.00 N ATOM 0 H ARG A 61 -17.257 13.339 -4.101 1.00 0.00 H new ATOM 0 HA ARG A 61 -18.660 11.012 -4.926 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -19.183 12.912 -6.095 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -17.574 13.590 -5.940 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -17.951 13.162 -8.264 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.779 11.986 -7.705 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -18.383 10.809 -9.071 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -18.655 10.322 -7.410 1.00 0.00 H new ATOM 0 HE ARG A 61 -20.327 12.587 -8.062 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -19.995 9.093 -8.582 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -21.726 8.857 -8.841 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -22.548 12.257 -8.408 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -23.159 10.633 -8.744 1.00 0.00 H new ATOM 947 N ASN A 62 -15.448 10.986 -5.576 1.00 0.00 N ATOM 948 CA ASN A 62 -14.359 10.112 -5.984 1.00 0.00 C ATOM 949 C ASN A 62 -14.196 8.969 -4.980 1.00 0.00 C ATOM 950 O ASN A 62 -13.871 7.844 -5.362 1.00 0.00 O ATOM 951 CB ASN A 62 -13.081 10.946 -6.080 1.00 0.00 C ATOM 952 CG ASN A 62 -12.987 11.730 -7.385 1.00 0.00 C ATOM 953 OD1 ASN A 62 -11.965 11.687 -8.059 1.00 0.00 O ATOM 954 ND2 ASN A 62 -14.035 12.452 -7.762 1.00 0.00 N ATOM 0 H ASN A 62 -15.146 11.910 -5.267 1.00 0.00 H new ATOM 0 HA ASN A 62 -14.574 9.668 -6.956 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.041 11.640 -5.240 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.216 10.289 -5.992 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -14.000 12.987 -8.630 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.875 12.472 -7.184 1.00 0.00 H new ATOM 961 N ALA A 63 -14.423 9.236 -3.690 1.00 0.00 N ATOM 962 CA ALA A 63 -14.306 8.202 -2.674 1.00 0.00 C ATOM 963 C ALA A 63 -15.418 7.171 -2.820 1.00 0.00 C ATOM 964 O ALA A 63 -15.157 5.978 -2.691 1.00 0.00 O ATOM 965 CB ALA A 63 -14.334 8.830 -1.284 1.00 0.00 C ATOM 0 H ALA A 63 -14.687 10.154 -3.333 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.353 7.689 -2.808 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -14.246 8.048 -0.530 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.502 9.527 -1.183 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.274 9.364 -1.145 1.00 0.00 H new ATOM 971 N ARG A 64 -16.650 7.612 -3.090 1.00 0.00 N ATOM 972 CA ARG A 64 -17.766 6.696 -3.267 1.00 0.00 C ATOM 973 C ARG A 64 -17.543 5.834 -4.507 1.00 0.00 C ATOM 974 O ARG A 64 -18.059 4.721 -4.582 1.00 0.00 O ATOM 975 CB ARG A 64 -19.065 7.487 -3.452 1.00 0.00 C ATOM 976 CG ARG A 64 -19.418 8.396 -2.272 1.00 0.00 C ATOM 977 CD ARG A 64 -19.788 7.612 -1.014 1.00 0.00 C ATOM 978 NE ARG A 64 -20.093 8.537 0.082 1.00 0.00 N ATOM 979 CZ ARG A 64 -20.460 8.169 1.310 1.00 0.00 C ATOM 980 NH1 ARG A 64 -20.597 6.884 1.634 1.00 0.00 N ATOM 981 NH2 ARG A 64 -20.688 9.103 2.226 1.00 0.00 N ATOM 0 H ARG A 64 -16.893 8.598 -3.189 1.00 0.00 H new ATOM 0 HA ARG A 64 -17.837 6.063 -2.383 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -18.982 8.095 -4.353 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -19.884 6.786 -3.615 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -18.571 9.047 -2.054 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -20.251 9.041 -2.552 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -20.649 6.974 -1.213 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -18.965 6.956 -0.729 1.00 0.00 H new ATOM 0 HE ARG A 64 -20.019 9.536 -0.109 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -20.420 6.161 0.937 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -20.879 6.624 2.579 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -20.582 10.089 1.987 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -20.969 8.835 3.169 1.00 0.00 H new ATOM 995 N ALA A 65 -16.775 6.343 -5.479 1.00 0.00 N ATOM 996 CA ALA A 65 -16.514 5.634 -6.717 1.00 0.00 C ATOM 997 C ALA A 65 -15.634 4.411 -6.477 1.00 0.00 C ATOM 998 O ALA A 65 -15.880 3.361 -7.064 1.00 0.00 O ATOM 999 CB ALA A 65 -15.829 6.584 -7.699 1.00 0.00 C ATOM 0 H ALA A 65 -16.323 7.256 -5.420 1.00 0.00 H new ATOM 0 HA ALA A 65 -17.461 5.288 -7.130 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -15.629 6.059 -8.633 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -16.479 7.437 -7.894 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -14.890 6.934 -7.271 1.00 0.00 H new ATOM 1005 N ALA A 66 -14.616 4.533 -5.620 1.00 0.00 N ATOM 1006 CA ALA A 66 -13.736 3.411 -5.337 1.00 0.00 C ATOM 1007 C ALA A 66 -14.231 2.586 -4.148 1.00 0.00 C ATOM 1008 O ALA A 66 -13.973 1.386 -4.087 1.00 0.00 O ATOM 1009 CB ALA A 66 -12.328 3.944 -5.094 1.00 0.00 C ATOM 0 H ALA A 66 -14.388 5.391 -5.118 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.729 2.738 -6.195 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.656 3.113 -4.880 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.981 4.472 -5.982 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.339 4.629 -4.246 1.00 0.00 H new ATOM 1015 N VAL A 67 -14.938 3.216 -3.207 1.00 0.00 N ATOM 1016 CA VAL A 67 -15.494 2.519 -2.052 1.00 0.00 C ATOM 1017 C VAL A 67 -16.643 1.610 -2.482 1.00 0.00 C ATOM 1018 O VAL A 67 -16.973 0.663 -1.774 1.00 0.00 O ATOM 1019 CB VAL A 67 -15.910 3.537 -0.983 1.00 0.00 C ATOM 1020 CG1 VAL A 67 -16.832 2.917 0.060 1.00 0.00 C ATOM 1021 CG2 VAL A 67 -14.653 4.056 -0.288 1.00 0.00 C ATOM 0 H VAL A 67 -15.138 4.216 -3.226 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.735 1.874 -1.608 1.00 0.00 H new ATOM 0 HB VAL A 67 -16.452 4.346 -1.473 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -17.104 3.670 0.799 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -17.733 2.544 -0.427 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -16.319 2.092 0.555 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -14.933 4.782 0.476 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.125 3.224 0.178 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -14.003 4.533 -1.021 1.00 0.00 H new ATOM 1031 N ALA A 68 -17.255 1.890 -3.636 1.00 0.00 N ATOM 1032 CA ALA A 68 -18.263 1.008 -4.210 1.00 0.00 C ATOM 1033 C ALA A 68 -17.768 0.330 -5.492 1.00 0.00 C ATOM 1034 O ALA A 68 -18.442 -0.567 -6.001 1.00 0.00 O ATOM 1035 CB ALA A 68 -19.543 1.808 -4.453 1.00 0.00 C ATOM 0 H ALA A 68 -17.066 2.725 -4.190 1.00 0.00 H new ATOM 0 HA ALA A 68 -18.471 0.204 -3.505 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -20.304 1.156 -4.883 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -19.904 2.213 -3.508 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -19.335 2.626 -5.142 1.00 0.00 H new ATOM 1041 N GLY A 69 -16.610 0.744 -6.017 1.00 0.00 N ATOM 1042 CA GLY A 69 -16.081 0.194 -7.257 1.00 0.00 C ATOM 1043 C GLY A 69 -15.019 -0.884 -7.047 1.00 0.00 C ATOM 1044 O GLY A 69 -14.820 -1.716 -7.930 1.00 0.00 O ATOM 0 H GLY A 69 -16.022 1.463 -5.595 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.902 -0.226 -7.837 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -15.653 1.003 -7.849 1.00 0.00 H new ATOM 1048 N GLU A 70 -14.339 -0.882 -5.895 1.00 0.00 N ATOM 1049 CA GLU A 70 -13.268 -1.835 -5.608 1.00 0.00 C ATOM 1050 C GLU A 70 -13.555 -2.659 -4.357 1.00 0.00 C ATOM 1051 O GLU A 70 -12.924 -3.691 -4.147 1.00 0.00 O ATOM 1052 CB GLU A 70 -11.949 -1.080 -5.420 1.00 0.00 C ATOM 1053 CG GLU A 70 -11.466 -0.414 -6.709 1.00 0.00 C ATOM 1054 CD GLU A 70 -10.977 -1.440 -7.726 1.00 0.00 C ATOM 1055 OE1 GLU A 70 -9.779 -1.791 -7.659 1.00 0.00 O ATOM 1056 OE2 GLU A 70 -11.792 -1.877 -8.570 1.00 0.00 O ATOM 0 H GLU A 70 -14.517 -0.221 -5.139 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.201 -2.520 -6.454 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.076 -0.321 -4.648 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -11.186 -1.772 -5.064 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.278 0.170 -7.143 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.660 0.283 -6.479 1.00 0.00 H new ATOM 1063 N ASP A 71 -14.496 -2.233 -3.514 1.00 0.00 N ATOM 1064 CA ASP A 71 -14.772 -2.955 -2.283 1.00 0.00 C ATOM 1065 C ASP A 71 -15.180 -4.395 -2.582 1.00 0.00 C ATOM 1066 O ASP A 71 -16.055 -4.645 -3.411 1.00 0.00 O ATOM 1067 CB ASP A 71 -15.856 -2.223 -1.492 1.00 0.00 C ATOM 1068 CG ASP A 71 -16.275 -3.036 -0.271 1.00 0.00 C ATOM 1069 OD1 ASP A 71 -15.363 -3.544 0.419 1.00 0.00 O ATOM 1070 OD2 ASP A 71 -17.499 -3.138 -0.040 1.00 0.00 O ATOM 0 H ASP A 71 -15.070 -1.403 -3.662 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.866 -2.992 -1.678 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.486 -1.247 -1.176 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.721 -2.045 -2.131 1.00 0.00 H new ATOM 1075 N GLY A 72 -14.535 -5.345 -1.896 1.00 0.00 N ATOM 1076 CA GLY A 72 -14.834 -6.759 -2.049 1.00 0.00 C ATOM 1077 C GLY A 72 -14.079 -7.402 -3.210 1.00 0.00 C ATOM 1078 O GLY A 72 -14.410 -8.520 -3.599 1.00 0.00 O ATOM 0 H GLY A 72 -13.794 -5.148 -1.223 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.583 -7.281 -1.125 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -15.906 -6.884 -2.205 1.00 0.00 H new ATOM 1082 N ARG A 73 -13.072 -6.718 -3.773 1.00 0.00 N ATOM 1083 CA ARG A 73 -12.315 -7.255 -4.897 1.00 0.00 C ATOM 1084 C ARG A 73 -11.095 -8.032 -4.419 1.00 0.00 C ATOM 1085 O ARG A 73 -10.670 -7.877 -3.279 1.00 0.00 O ATOM 1086 CB ARG A 73 -11.915 -6.151 -5.877 1.00 0.00 C ATOM 1087 CG ARG A 73 -10.670 -5.378 -5.439 1.00 0.00 C ATOM 1088 CD ARG A 73 -10.075 -4.625 -6.629 1.00 0.00 C ATOM 1089 NE ARG A 73 -9.378 -5.555 -7.527 1.00 0.00 N ATOM 1090 CZ ARG A 73 -8.612 -5.176 -8.553 1.00 0.00 C ATOM 1091 NH1 ARG A 73 -8.446 -3.889 -8.844 1.00 0.00 N ATOM 1092 NH2 ARG A 73 -8.007 -6.097 -9.297 1.00 0.00 N ATOM 0 H ARG A 73 -12.769 -5.794 -3.464 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.965 -7.950 -5.429 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.735 -6.592 -6.857 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.746 -5.455 -5.989 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -10.928 -4.676 -4.646 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.931 -6.066 -5.027 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.866 -4.108 -7.173 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.381 -3.863 -6.275 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.486 -6.555 -7.356 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -8.907 -3.175 -8.280 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.858 -3.616 -9.631 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -8.129 -7.087 -9.083 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.421 -5.814 -10.082 1.00 0.00 H new ATOM 1106 N MET A 74 -10.529 -8.864 -5.293 1.00 0.00 N ATOM 1107 CA MET A 74 -9.333 -9.622 -4.972 1.00 0.00 C ATOM 1108 C MET A 74 -8.088 -8.949 -5.543 1.00 0.00 C ATOM 1109 O MET A 74 -8.088 -8.490 -6.684 1.00 0.00 O ATOM 1110 CB MET A 74 -9.475 -11.058 -5.479 1.00 0.00 C ATOM 1111 CG MET A 74 -8.154 -11.810 -5.295 1.00 0.00 C ATOM 1112 SD MET A 74 -8.326 -13.604 -5.230 1.00 0.00 S ATOM 1113 CE MET A 74 -9.068 -13.711 -3.588 1.00 0.00 C ATOM 0 H MET A 74 -10.887 -9.027 -6.234 1.00 0.00 H new ATOM 0 HA MET A 74 -9.215 -9.650 -3.889 1.00 0.00 H new ATOM 0 HB2 MET A 74 -10.272 -11.567 -4.936 1.00 0.00 H new ATOM 0 HB3 MET A 74 -9.758 -11.055 -6.532 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.484 -11.550 -6.115 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.680 -11.468 -4.375 1.00 0.00 H new ATOM 0 HE1 MET A 74 -8.496 -14.408 -2.975 1.00 0.00 H new ATOM 0 HE2 MET A 74 -9.061 -12.726 -3.121 1.00 0.00 H new ATOM 0 HE3 MET A 74 -10.096 -14.064 -3.675 1.00 0.00 H new ATOM 1123 N ILE A 75 -7.028 -8.903 -4.729 1.00 0.00 N ATOM 1124 CA ILE A 75 -5.722 -8.391 -5.109 1.00 0.00 C ATOM 1125 C ILE A 75 -4.660 -9.262 -4.448 1.00 0.00 C ATOM 1126 O ILE A 75 -4.779 -9.609 -3.273 1.00 0.00 O ATOM 1127 CB ILE A 75 -5.566 -6.921 -4.686 1.00 0.00 C ATOM 1128 CG1 ILE A 75 -6.680 -6.064 -5.309 1.00 0.00 C ATOM 1129 CG2 ILE A 75 -4.195 -6.387 -5.113 1.00 0.00 C ATOM 1130 CD1 ILE A 75 -6.681 -4.635 -4.778 1.00 0.00 C ATOM 0 H ILE A 75 -7.063 -9.231 -3.764 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.610 -8.427 -6.193 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.644 -6.864 -3.600 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -6.558 -6.046 -6.392 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.646 -6.525 -5.105 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.099 -5.345 -4.807 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.411 -6.978 -4.640 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.099 -6.457 -6.196 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -7.487 -4.072 -5.250 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.831 -4.648 -3.698 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.726 -4.162 -5.006 1.00 0.00 H new ATOM 1142 N ALA A 76 -3.619 -9.616 -5.204 1.00 0.00 N ATOM 1143 CA ALA A 76 -2.513 -10.450 -4.747 1.00 0.00 C ATOM 1144 C ALA A 76 -2.936 -11.811 -4.174 1.00 0.00 C ATOM 1145 O ALA A 76 -2.097 -12.518 -3.617 1.00 0.00 O ATOM 1146 CB ALA A 76 -1.638 -9.642 -3.784 1.00 0.00 C ATOM 0 H ALA A 76 -3.522 -9.321 -6.176 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.924 -10.722 -5.623 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.809 -10.261 -3.439 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -1.246 -8.764 -4.298 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.235 -9.325 -2.929 1.00 0.00 H new ATOM 1152 N GLY A 77 -4.215 -12.199 -4.295 1.00 0.00 N ATOM 1153 CA GLY A 77 -4.690 -13.507 -3.854 1.00 0.00 C ATOM 1154 C GLY A 77 -5.636 -13.471 -2.652 1.00 0.00 C ATOM 1155 O GLY A 77 -6.068 -14.525 -2.187 1.00 0.00 O ATOM 0 H GLY A 77 -4.943 -11.611 -4.701 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.200 -13.993 -4.686 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.828 -14.126 -3.603 1.00 0.00 H new ATOM 1159 N GLN A 78 -5.969 -12.279 -2.147 1.00 0.00 N ATOM 1160 CA GLN A 78 -6.919 -12.111 -1.054 1.00 0.00 C ATOM 1161 C GLN A 78 -7.784 -10.884 -1.310 1.00 0.00 C ATOM 1162 O GLN A 78 -7.447 -10.028 -2.127 1.00 0.00 O ATOM 1163 CB GLN A 78 -6.197 -12.028 0.293 1.00 0.00 C ATOM 1164 CG GLN A 78 -5.065 -11.016 0.291 1.00 0.00 C ATOM 1165 CD GLN A 78 -3.797 -11.643 -0.270 1.00 0.00 C ATOM 1166 OE1 GLN A 78 -3.247 -12.583 0.294 1.00 0.00 O ATOM 1167 NE2 GLN A 78 -3.328 -11.115 -1.390 1.00 0.00 N ATOM 0 H GLN A 78 -5.582 -11.400 -2.491 1.00 0.00 H new ATOM 0 HA GLN A 78 -7.570 -12.984 -1.010 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -6.915 -11.762 1.069 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -5.800 -13.010 0.549 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -5.345 -10.148 -0.306 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.885 -10.660 1.305 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.815 -10.333 -1.828 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -2.480 -11.490 -1.814 1.00 0.00 H new ATOM 1176 N VAL A 79 -8.908 -10.802 -0.598 1.00 0.00 N ATOM 1177 CA VAL A 79 -9.866 -9.721 -0.755 1.00 0.00 C ATOM 1178 C VAL A 79 -9.598 -8.631 0.269 1.00 0.00 C ATOM 1179 O VAL A 79 -9.070 -8.891 1.348 1.00 0.00 O ATOM 1180 CB VAL A 79 -11.293 -10.269 -0.651 1.00 0.00 C ATOM 1181 CG1 VAL A 79 -12.346 -9.159 -0.702 1.00 0.00 C ATOM 1182 CG2 VAL A 79 -11.565 -11.228 -1.809 1.00 0.00 C ATOM 0 H VAL A 79 -9.176 -11.490 0.106 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.755 -9.274 -1.743 1.00 0.00 H new ATOM 0 HB VAL A 79 -11.366 -10.778 0.310 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -13.341 -9.597 -0.625 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -12.188 -8.469 0.127 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -12.260 -8.619 -1.645 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -12.581 -11.615 -1.730 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -11.451 -10.698 -2.755 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.857 -12.056 -1.769 1.00 0.00 H new ATOM 1192 N LEU A 80 -9.969 -7.401 -0.077 1.00 0.00 N ATOM 1193 CA LEU A 80 -9.787 -6.232 0.765 1.00 0.00 C ATOM 1194 C LEU A 80 -11.130 -5.565 1.032 1.00 0.00 C ATOM 1195 O LEU A 80 -12.000 -5.506 0.163 1.00 0.00 O ATOM 1196 CB LEU A 80 -8.743 -5.250 0.198 1.00 0.00 C ATOM 1197 CG LEU A 80 -8.508 -5.226 -1.315 1.00 0.00 C ATOM 1198 CD1 LEU A 80 -7.862 -6.499 -1.855 1.00 0.00 C ATOM 1199 CD2 LEU A 80 -9.800 -4.931 -2.065 1.00 0.00 C ATOM 0 H LEU A 80 -10.414 -7.190 -0.970 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.380 -6.566 1.719 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.033 -4.245 0.504 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.789 -5.467 0.678 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.796 -4.419 -1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.726 -6.409 -2.933 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.893 -6.646 -1.378 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.505 -7.353 -1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.604 -4.920 -3.137 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.536 -5.702 -1.839 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.186 -3.959 -1.757 1.00 0.00 H new ATOM 1211 N ASP A 81 -11.278 -5.063 2.257 1.00 0.00 N ATOM 1212 CA ASP A 81 -12.491 -4.413 2.714 1.00 0.00 C ATOM 1213 C ASP A 81 -12.300 -2.903 2.596 1.00 0.00 C ATOM 1214 O ASP A 81 -11.558 -2.301 3.373 1.00 0.00 O ATOM 1215 CB ASP A 81 -12.753 -4.846 4.160 1.00 0.00 C ATOM 1216 CG ASP A 81 -14.009 -4.200 4.742 1.00 0.00 C ATOM 1217 OD1 ASP A 81 -15.016 -4.117 4.005 1.00 0.00 O ATOM 1218 OD2 ASP A 81 -13.947 -3.799 5.925 1.00 0.00 O ATOM 0 H ASP A 81 -10.545 -5.100 2.965 1.00 0.00 H new ATOM 0 HA ASP A 81 -13.355 -4.695 2.112 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.854 -5.931 4.199 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -11.893 -4.583 4.777 1.00 0.00 H new ATOM 1223 N ILE A 82 -12.970 -2.287 1.622 1.00 0.00 N ATOM 1224 CA ILE A 82 -12.821 -0.869 1.346 1.00 0.00 C ATOM 1225 C ILE A 82 -14.053 -0.119 1.835 1.00 0.00 C ATOM 1226 O ILE A 82 -15.180 -0.594 1.690 1.00 0.00 O ATOM 1227 CB ILE A 82 -12.563 -0.666 -0.147 1.00 0.00 C ATOM 1228 CG1 ILE A 82 -11.287 -1.408 -0.564 1.00 0.00 C ATOM 1229 CG2 ILE A 82 -12.429 0.820 -0.476 1.00 0.00 C ATOM 1230 CD1 ILE A 82 -11.237 -1.573 -2.080 1.00 0.00 C ATOM 0 H ILE A 82 -13.630 -2.762 1.006 1.00 0.00 H new ATOM 0 HA ILE A 82 -11.964 -0.464 1.883 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.412 -1.068 -0.700 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -10.411 -0.857 -0.223 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.255 -2.386 -0.084 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.246 0.941 -1.544 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -13.349 1.337 -0.205 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -11.596 1.243 0.085 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -10.325 -2.101 -2.359 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -12.104 -2.144 -2.413 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -11.246 -0.591 -2.553 1.00 0.00 H new ATOM 1242 N ASN A 83 -13.839 1.059 2.419 1.00 0.00 N ATOM 1243 CA ASN A 83 -14.916 1.838 3.006 1.00 0.00 C ATOM 1244 C ASN A 83 -14.528 3.312 3.053 1.00 0.00 C ATOM 1245 O ASN A 83 -13.357 3.651 2.888 1.00 0.00 O ATOM 1246 CB ASN A 83 -15.177 1.295 4.412 1.00 0.00 C ATOM 1247 CG ASN A 83 -16.523 1.751 4.960 1.00 0.00 C ATOM 1248 OD1 ASN A 83 -17.539 1.100 4.730 1.00 0.00 O ATOM 1249 ND2 ASN A 83 -16.550 2.864 5.686 1.00 0.00 N ATOM 0 H ASN A 83 -12.919 1.494 2.496 1.00 0.00 H new ATOM 0 HA ASN A 83 -15.822 1.755 2.406 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -15.144 0.206 4.392 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -14.383 1.625 5.081 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -17.433 3.201 6.071 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -15.688 3.381 5.859 1.00 0.00 H new ATOM 1256 N LEU A 84 -15.502 4.195 3.281 1.00 0.00 N ATOM 1257 CA LEU A 84 -15.200 5.596 3.516 1.00 0.00 C ATOM 1258 C LEU A 84 -14.424 5.709 4.824 1.00 0.00 C ATOM 1259 O LEU A 84 -14.487 4.808 5.662 1.00 0.00 O ATOM 1260 CB LEU A 84 -16.491 6.417 3.589 1.00 0.00 C ATOM 1261 CG LEU A 84 -16.461 7.582 2.594 1.00 0.00 C ATOM 1262 CD1 LEU A 84 -16.916 7.121 1.216 1.00 0.00 C ATOM 1263 CD2 LEU A 84 -17.383 8.683 3.100 1.00 0.00 C ATOM 0 H LEU A 84 -16.495 3.962 3.307 1.00 0.00 H new ATOM 0 HA LEU A 84 -14.601 5.988 2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -17.346 5.775 3.377 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -16.624 6.802 4.600 1.00 0.00 H new ATOM 0 HG LEU A 84 -15.441 7.957 2.509 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -16.888 7.962 0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -16.252 6.334 0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -17.934 6.736 1.279 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -17.370 9.518 2.400 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -18.399 8.296 3.185 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -17.041 9.023 4.077 1.00 0.00 H new ATOM 1275 N ALA A 85 -13.691 6.805 5.023 1.00 0.00 N ATOM 1276 CA ALA A 85 -12.851 6.956 6.203 1.00 0.00 C ATOM 1277 C ALA A 85 -13.630 7.432 7.434 1.00 0.00 C ATOM 1278 O ALA A 85 -13.046 7.550 8.511 1.00 0.00 O ATOM 1279 CB ALA A 85 -11.719 7.923 5.879 1.00 0.00 C ATOM 0 H ALA A 85 -13.664 7.598 4.382 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.452 5.975 6.459 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -11.082 8.045 6.755 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -11.128 7.527 5.053 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -12.136 8.890 5.596 1.00 0.00 H new ATOM 1285 N ALA A 86 -14.928 7.704 7.289 1.00 0.00 N ATOM 1286 CA ALA A 86 -15.755 8.197 8.380 1.00 0.00 C ATOM 1287 C ALA A 86 -17.084 7.445 8.473 1.00 0.00 C ATOM 1288 O ALA A 86 -17.990 7.883 9.181 1.00 0.00 O ATOM 1289 CB ALA A 86 -15.985 9.695 8.192 1.00 0.00 C ATOM 0 H ALA A 86 -15.431 7.587 6.409 1.00 0.00 H new ATOM 0 HA ALA A 86 -15.233 8.023 9.321 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -16.604 10.073 9.006 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -15.026 10.213 8.195 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -16.489 9.869 7.241 1.00 0.00 H new