USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 705 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 9 ASN : amide:sc= -2.36 K(o=-3.3,f=-0.86) USER MOD Set 1.2: A 67 LYS NZ :NH3+ -120:sc= -0.927 (180deg=-1.34!) USER MOD Set 2.1: A 11 SER OG : rot -114:sc= -3.18! USER MOD Set 2.2: A 65 HIS : no HD1:sc= -0.216 X(o=-3.4,f=-3.2) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 43:sc= 0.271 USER MOD Single : A -3 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -67:sc= 0.749 USER MOD Single : A 21 GLN : amide:sc= -0.0242 K(o=-0.024,f=-0.84) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0216 K(o=-0.022,f=-0.8) USER MOD Single : A 37 LYS NZ :NH3+ -156:sc= -0.808 (180deg=-0.929) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 134:sc= -0.873 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN : amide:sc= -1.25 K(o=-1.3,f=-2.4) USER MOD Single : A 57 THR OG1 : rot 91:sc= 0.693 USER MOD Single : A 59 SER OG : rot -179:sc= 0.301 USER MOD Single : A 61 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.071) USER MOD Single : A 69 MET CE :methyl -146:sc= -0.0513 (180deg=-0.88) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 41:sc= 1.03 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 158:sc= -0.117 (180deg=-0.547) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -5 23.411 -14.310 1.127 1.00 0.00 N ATOM 2 CA GLY A -5 23.877 -14.037 2.475 1.00 0.00 C ATOM 3 C GLY A -5 23.386 -12.702 2.998 1.00 0.00 C ATOM 4 O GLY A -5 22.362 -12.633 3.677 1.00 0.00 O ATOM 0 H1 GLY A -5 23.773 -15.234 0.815 1.00 0.00 H new ATOM 0 H2 GLY A -5 22.371 -14.324 1.115 1.00 0.00 H new ATOM 0 H3 GLY A -5 23.754 -13.568 0.484 1.00 0.00 H new ATOM 0 HA2 GLY A -5 23.539 -14.831 3.141 1.00 0.00 H new ATOM 0 HA3 GLY A -5 24.967 -14.051 2.489 1.00 0.00 H new ATOM 8 N SER A -4 24.119 -11.639 2.684 1.00 0.00 N ATOM 9 CA SER A -4 23.756 -10.300 3.132 1.00 0.00 C ATOM 10 C SER A -4 22.361 -9.923 2.642 1.00 0.00 C ATOM 11 O SER A -4 22.084 -9.947 1.443 1.00 0.00 O ATOM 12 CB SER A -4 24.778 -9.277 2.632 1.00 0.00 C ATOM 13 OG SER A -4 24.491 -7.983 3.134 1.00 0.00 O ATOM 0 H SER A -4 24.968 -11.679 2.121 1.00 0.00 H new ATOM 0 HA SER A -4 23.753 -10.297 4.222 1.00 0.00 H new ATOM 0 HB2 SER A -4 25.779 -9.577 2.942 1.00 0.00 H new ATOM 0 HB3 SER A -4 24.774 -9.257 1.542 1.00 0.00 H new ATOM 0 HG SER A -4 25.159 -7.348 2.802 1.00 0.00 H new ATOM 19 N SER A -3 21.486 -9.574 3.579 1.00 0.00 N ATOM 20 CA SER A -3 20.118 -9.196 3.245 1.00 0.00 C ATOM 21 C SER A -3 19.753 -7.857 3.880 1.00 0.00 C ATOM 22 O SER A -3 19.360 -7.796 5.044 1.00 0.00 O ATOM 23 CB SER A -3 19.139 -10.276 3.709 1.00 0.00 C ATOM 24 OG SER A -3 19.209 -11.420 2.875 1.00 0.00 O ATOM 0 H SER A -3 21.700 -9.545 4.576 1.00 0.00 H new ATOM 0 HA SER A -3 20.050 -9.096 2.162 1.00 0.00 H new ATOM 0 HB2 SER A -3 19.364 -10.558 4.738 1.00 0.00 H new ATOM 0 HB3 SER A -3 18.124 -9.879 3.702 1.00 0.00 H new ATOM 0 HG SER A -3 18.575 -12.096 3.193 1.00 0.00 H new ATOM 30 N GLY A -2 19.889 -6.785 3.105 1.00 0.00 N ATOM 31 CA GLY A -2 19.571 -5.461 3.608 1.00 0.00 C ATOM 32 C GLY A -2 19.880 -4.369 2.603 1.00 0.00 C ATOM 33 O GLY A -2 20.990 -3.838 2.576 1.00 0.00 O ATOM 0 H GLY A -2 20.214 -6.810 2.138 1.00 0.00 H new ATOM 0 HA2 GLY A -2 18.514 -5.420 3.871 1.00 0.00 H new ATOM 0 HA3 GLY A -2 20.134 -5.278 4.523 1.00 0.00 H new ATOM 37 N SER A -1 18.897 -4.036 1.773 1.00 0.00 N ATOM 38 CA SER A -1 19.071 -3.004 0.757 1.00 0.00 C ATOM 39 C SER A -1 18.454 -1.684 1.212 1.00 0.00 C ATOM 40 O SER A -1 17.233 -1.561 1.317 1.00 0.00 O ATOM 41 CB SER A -1 18.438 -3.447 -0.563 1.00 0.00 C ATOM 42 OG SER A -1 17.103 -3.881 -0.370 1.00 0.00 O ATOM 0 H SER A -1 17.972 -4.466 1.784 1.00 0.00 H new ATOM 0 HA SER A -1 20.140 -2.853 0.607 1.00 0.00 H new ATOM 0 HB2 SER A -1 18.456 -2.620 -1.273 1.00 0.00 H new ATOM 0 HB3 SER A -1 19.026 -4.254 -0.999 1.00 0.00 H new ATOM 0 HG SER A -1 16.642 -3.261 0.233 1.00 0.00 H new ATOM 48 N SER A 0 19.307 -0.702 1.481 1.00 0.00 N ATOM 49 CA SER A 0 18.847 0.608 1.928 1.00 0.00 C ATOM 50 C SER A 0 17.890 1.223 0.913 1.00 0.00 C ATOM 51 O SER A 0 18.312 1.879 -0.039 1.00 0.00 O ATOM 52 CB SER A 0 20.040 1.541 2.152 1.00 0.00 C ATOM 53 OG SER A 0 19.638 2.732 2.808 1.00 0.00 O ATOM 0 H SER A 0 20.320 -0.788 1.398 1.00 0.00 H new ATOM 0 HA SER A 0 18.314 0.477 2.870 1.00 0.00 H new ATOM 0 HB2 SER A 0 20.798 1.032 2.748 1.00 0.00 H new ATOM 0 HB3 SER A 0 20.499 1.786 1.194 1.00 0.00 H new ATOM 0 HG SER A 0 20.417 3.311 2.941 1.00 0.00 H new ATOM 59 N GLY A 1 16.594 1.007 1.123 1.00 0.00 N ATOM 60 CA GLY A 1 15.595 1.546 0.219 1.00 0.00 C ATOM 61 C GLY A 1 14.237 1.690 0.875 1.00 0.00 C ATOM 62 O GLY A 1 13.755 0.766 1.531 1.00 0.00 O ATOM 0 H GLY A 1 16.219 0.468 1.904 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.925 2.520 -0.143 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.508 0.895 -0.651 1.00 0.00 H new ATOM 66 N MET A 2 13.618 2.854 0.702 1.00 0.00 N ATOM 67 CA MET A 2 12.307 3.116 1.283 1.00 0.00 C ATOM 68 C MET A 2 11.253 3.286 0.194 1.00 0.00 C ATOM 69 O MET A 2 11.441 4.051 -0.751 1.00 0.00 O ATOM 70 CB MET A 2 12.356 4.368 2.162 1.00 0.00 C ATOM 71 CG MET A 2 12.933 4.117 3.546 1.00 0.00 C ATOM 72 SD MET A 2 13.155 5.637 4.491 1.00 0.00 S ATOM 73 CE MET A 2 11.826 5.491 5.684 1.00 0.00 C ATOM 0 H MET A 2 14.004 3.630 0.164 1.00 0.00 H new ATOM 0 HA MET A 2 12.032 2.259 1.898 1.00 0.00 H new ATOM 0 HB2 MET A 2 12.953 5.130 1.661 1.00 0.00 H new ATOM 0 HB3 MET A 2 11.348 4.769 2.265 1.00 0.00 H new ATOM 0 HG2 MET A 2 12.272 3.446 4.095 1.00 0.00 H new ATOM 0 HG3 MET A 2 13.893 3.610 3.449 1.00 0.00 H new ATOM 0 HE1 MET A 2 11.832 6.359 6.343 1.00 0.00 H new ATOM 0 HE2 MET A 2 10.871 5.439 5.161 1.00 0.00 H new ATOM 0 HE3 MET A 2 11.966 4.586 6.275 1.00 0.00 H new ATOM 83 N ASN A 3 10.144 2.567 0.333 1.00 0.00 N ATOM 84 CA ASN A 3 9.060 2.638 -0.641 1.00 0.00 C ATOM 85 C ASN A 3 7.702 2.539 0.048 1.00 0.00 C ATOM 86 O ASN A 3 7.621 2.391 1.268 1.00 0.00 O ATOM 87 CB ASN A 3 9.202 1.520 -1.675 1.00 0.00 C ATOM 88 CG ASN A 3 10.038 1.940 -2.868 1.00 0.00 C ATOM 89 OD1 ASN A 3 11.267 1.984 -2.795 1.00 0.00 O ATOM 90 ND2 ASN A 3 9.374 2.250 -3.975 1.00 0.00 N ATOM 0 H ASN A 3 9.972 1.929 1.110 1.00 0.00 H new ATOM 0 HA ASN A 3 9.122 3.602 -1.147 1.00 0.00 H new ATOM 0 HB2 ASN A 3 9.657 0.649 -1.204 1.00 0.00 H new ATOM 0 HB3 ASN A 3 8.212 1.217 -2.017 1.00 0.00 H new ATOM 0 HD21 ASN A 3 9.882 2.539 -4.811 1.00 0.00 H new ATOM 0 HD22 ASN A 3 8.355 2.199 -3.990 1.00 0.00 H new ATOM 97 N LYS A 4 6.637 2.620 -0.741 1.00 0.00 N ATOM 98 CA LYS A 4 5.281 2.538 -0.209 1.00 0.00 C ATOM 99 C LYS A 4 4.504 1.406 -0.874 1.00 0.00 C ATOM 100 O LYS A 4 4.913 0.886 -1.913 1.00 0.00 O ATOM 101 CB LYS A 4 4.548 3.865 -0.417 1.00 0.00 C ATOM 102 CG LYS A 4 5.331 5.074 0.068 1.00 0.00 C ATOM 103 CD LYS A 4 4.542 6.360 -0.119 1.00 0.00 C ATOM 104 CE LYS A 4 5.456 7.575 -0.150 1.00 0.00 C ATOM 105 NZ LYS A 4 4.697 8.834 -0.385 1.00 0.00 N ATOM 0 H LYS A 4 6.686 2.743 -1.752 1.00 0.00 H new ATOM 0 HA LYS A 4 5.348 2.331 0.859 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.328 3.987 -1.478 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.592 3.828 0.105 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.580 4.949 1.122 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.273 5.141 -0.476 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.973 6.307 -1.047 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.821 6.467 0.691 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.996 7.647 0.794 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.202 7.449 -0.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.356 9.639 -0.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.202 8.776 -1.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.003 8.968 0.378 1.00 0.00 H new ATOM 119 N LEU A 5 3.382 1.032 -0.271 1.00 0.00 N ATOM 120 CA LEU A 5 2.545 -0.037 -0.805 1.00 0.00 C ATOM 121 C LEU A 5 1.236 0.519 -1.355 1.00 0.00 C ATOM 122 O LEU A 5 0.619 1.396 -0.748 1.00 0.00 O ATOM 123 CB LEU A 5 2.257 -1.077 0.280 1.00 0.00 C ATOM 124 CG LEU A 5 3.439 -1.465 1.168 1.00 0.00 C ATOM 125 CD1 LEU A 5 2.954 -2.187 2.415 1.00 0.00 C ATOM 126 CD2 LEU A 5 4.424 -2.331 0.397 1.00 0.00 C ATOM 0 H LEU A 5 3.030 1.453 0.589 1.00 0.00 H new ATOM 0 HA LEU A 5 3.086 -0.515 -1.622 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.459 -0.696 0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.878 -1.979 -0.201 1.00 0.00 H new ATOM 0 HG LEU A 5 3.952 -0.554 1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.809 -2.456 3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.288 -1.533 2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.417 -3.090 2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.259 -2.598 1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.923 -3.238 0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.796 -1.779 -0.466 1.00 0.00 H new ATOM 138 N TYR A 6 0.816 0.002 -2.503 1.00 0.00 N ATOM 139 CA TYR A 6 -0.421 0.447 -3.135 1.00 0.00 C ATOM 140 C TYR A 6 -1.590 -0.448 -2.733 1.00 0.00 C ATOM 141 O TYR A 6 -1.495 -1.674 -2.787 1.00 0.00 O ATOM 142 CB TYR A 6 -0.268 0.452 -4.657 1.00 0.00 C ATOM 143 CG TYR A 6 -1.575 0.281 -5.397 1.00 0.00 C ATOM 144 CD1 TYR A 6 -2.205 -0.956 -5.459 1.00 0.00 C ATOM 145 CD2 TYR A 6 -2.182 1.356 -6.036 1.00 0.00 C ATOM 146 CE1 TYR A 6 -3.398 -1.117 -6.135 1.00 0.00 C ATOM 147 CE2 TYR A 6 -3.376 1.205 -6.712 1.00 0.00 C ATOM 148 CZ TYR A 6 -3.981 -0.034 -6.760 1.00 0.00 C ATOM 149 OH TYR A 6 -5.170 -0.190 -7.434 1.00 0.00 O ATOM 0 H TYR A 6 1.313 -0.726 -3.016 1.00 0.00 H new ATOM 0 HA TYR A 6 -0.629 1.461 -2.794 1.00 0.00 H new ATOM 0 HB2 TYR A 6 0.194 1.390 -4.964 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.412 -0.348 -4.948 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -1.753 -1.806 -4.970 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.711 2.327 -6.003 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -3.873 -2.086 -6.174 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.834 2.052 -7.201 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.445 0.670 -7.816 1.00 0.00 H new ATOM 159 N ILE A 7 -2.693 0.176 -2.331 1.00 0.00 N ATOM 160 CA ILE A 7 -3.881 -0.562 -1.923 1.00 0.00 C ATOM 161 C ILE A 7 -5.031 -0.338 -2.899 1.00 0.00 C ATOM 162 O ILE A 7 -5.454 0.795 -3.127 1.00 0.00 O ATOM 163 CB ILE A 7 -4.337 -0.156 -0.508 1.00 0.00 C ATOM 164 CG1 ILE A 7 -3.149 -0.163 0.456 1.00 0.00 C ATOM 165 CG2 ILE A 7 -5.431 -1.092 -0.015 1.00 0.00 C ATOM 166 CD1 ILE A 7 -3.470 0.418 1.815 1.00 0.00 C ATOM 0 H ILE A 7 -2.788 1.190 -2.279 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.611 -1.618 -1.921 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.742 0.855 -0.549 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.799 -1.188 0.581 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.329 0.402 0.013 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -5.743 -0.792 0.986 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -6.285 -1.042 -0.691 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.051 -2.113 0.014 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.582 0.381 2.446 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.791 1.453 1.701 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.269 -0.161 2.279 1.00 0.00 H new ATOM 178 N GLY A 8 -5.534 -1.427 -3.472 1.00 0.00 N ATOM 179 CA GLY A 8 -6.632 -1.328 -4.417 1.00 0.00 C ATOM 180 C GLY A 8 -7.905 -1.962 -3.893 1.00 0.00 C ATOM 181 O GLY A 8 -7.872 -2.751 -2.950 1.00 0.00 O ATOM 0 H GLY A 8 -5.201 -2.376 -3.299 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.819 -0.278 -4.644 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.347 -1.810 -5.352 1.00 0.00 H new ATOM 185 N ASN A 9 -9.032 -1.616 -4.507 1.00 0.00 N ATOM 186 CA ASN A 9 -10.324 -2.155 -4.096 1.00 0.00 C ATOM 187 C ASN A 9 -10.773 -1.544 -2.772 1.00 0.00 C ATOM 188 O ASN A 9 -11.239 -2.248 -1.876 1.00 0.00 O ATOM 189 CB ASN A 9 -10.246 -3.678 -3.966 1.00 0.00 C ATOM 190 CG ASN A 9 -11.595 -4.344 -4.152 1.00 0.00 C ATOM 191 OD1 ASN A 9 -12.083 -4.482 -5.274 1.00 0.00 O ATOM 192 ND2 ASN A 9 -12.206 -4.760 -3.049 1.00 0.00 N ATOM 0 H ASN A 9 -9.077 -0.965 -5.291 1.00 0.00 H new ATOM 0 HA ASN A 9 -11.056 -1.898 -4.861 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -9.547 -4.068 -4.706 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.849 -3.936 -2.984 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -13.117 -5.215 -3.111 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.764 -4.625 -2.140 1.00 0.00 H new ATOM 199 N LEU A 10 -10.629 -0.228 -2.657 1.00 0.00 N ATOM 200 CA LEU A 10 -11.020 0.480 -1.443 1.00 0.00 C ATOM 201 C LEU A 10 -12.340 1.218 -1.645 1.00 0.00 C ATOM 202 O LEU A 10 -12.416 2.176 -2.413 1.00 0.00 O ATOM 203 CB LEU A 10 -9.927 1.469 -1.031 1.00 0.00 C ATOM 204 CG LEU A 10 -8.634 0.855 -0.495 1.00 0.00 C ATOM 205 CD1 LEU A 10 -7.590 1.935 -0.256 1.00 0.00 C ATOM 206 CD2 LEU A 10 -8.903 0.078 0.786 1.00 0.00 C ATOM 0 H LEU A 10 -10.245 0.370 -3.389 1.00 0.00 H new ATOM 0 HA LEU A 10 -11.153 -0.255 -0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.681 2.088 -1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.334 2.133 -0.268 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.246 0.162 -1.242 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.676 1.480 0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.376 2.448 -1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.969 2.653 0.472 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.971 -0.352 1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.314 0.750 1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.616 -0.721 0.584 1.00 0.00 H new ATOM 218 N SER A 11 -13.376 0.767 -0.947 1.00 0.00 N ATOM 219 CA SER A 11 -14.694 1.383 -1.050 1.00 0.00 C ATOM 220 C SER A 11 -14.598 2.898 -0.905 1.00 0.00 C ATOM 221 O SER A 11 -13.690 3.430 -0.265 1.00 0.00 O ATOM 222 CB SER A 11 -15.631 0.816 0.020 1.00 0.00 C ATOM 223 OG SER A 11 -15.333 1.354 1.296 1.00 0.00 O ATOM 0 H SER A 11 -13.329 -0.023 -0.304 1.00 0.00 H new ATOM 0 HA SER A 11 -15.098 1.154 -2.036 1.00 0.00 H new ATOM 0 HB2 SER A 11 -16.665 1.042 -0.241 1.00 0.00 H new ATOM 0 HB3 SER A 11 -15.540 -0.270 0.049 1.00 0.00 H new ATOM 0 HG SER A 11 -15.001 0.642 1.882 1.00 0.00 H new ATOM 229 N PRO A 12 -15.557 3.612 -1.514 1.00 0.00 N ATOM 230 CA PRO A 12 -15.603 5.076 -1.469 1.00 0.00 C ATOM 231 C PRO A 12 -15.957 5.602 -0.081 1.00 0.00 C ATOM 232 O PRO A 12 -16.051 6.811 0.128 1.00 0.00 O ATOM 233 CB PRO A 12 -16.705 5.427 -2.471 1.00 0.00 C ATOM 234 CG PRO A 12 -17.578 4.221 -2.511 1.00 0.00 C ATOM 235 CD PRO A 12 -16.669 3.044 -2.294 1.00 0.00 C ATOM 0 HA PRO A 12 -14.637 5.522 -1.704 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -17.262 6.309 -2.154 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -16.290 5.648 -3.454 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -18.345 4.269 -1.738 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -18.094 4.144 -3.468 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -17.172 2.242 -1.753 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -16.324 2.623 -3.238 1.00 0.00 H new ATOM 243 N ALA A 13 -16.151 4.686 0.861 1.00 0.00 N ATOM 244 CA ALA A 13 -16.492 5.058 2.229 1.00 0.00 C ATOM 245 C ALA A 13 -15.282 4.935 3.149 1.00 0.00 C ATOM 246 O ALA A 13 -15.215 5.583 4.193 1.00 0.00 O ATOM 247 CB ALA A 13 -17.637 4.197 2.741 1.00 0.00 C ATOM 0 H ALA A 13 -16.078 3.681 0.703 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.810 6.101 2.227 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -17.881 4.486 3.763 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.511 4.339 2.106 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.341 3.148 2.721 1.00 0.00 H new ATOM 253 N VAL A 14 -14.328 4.098 2.755 1.00 0.00 N ATOM 254 CA VAL A 14 -13.120 3.890 3.544 1.00 0.00 C ATOM 255 C VAL A 14 -12.504 5.219 3.966 1.00 0.00 C ATOM 256 O VAL A 14 -12.357 6.134 3.156 1.00 0.00 O ATOM 257 CB VAL A 14 -12.072 3.075 2.763 1.00 0.00 C ATOM 258 CG1 VAL A 14 -10.804 2.908 3.585 1.00 0.00 C ATOM 259 CG2 VAL A 14 -12.640 1.723 2.361 1.00 0.00 C ATOM 0 H VAL A 14 -14.368 3.553 1.894 1.00 0.00 H new ATOM 0 HA VAL A 14 -13.415 3.331 4.432 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.817 3.620 1.854 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.076 2.330 3.017 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.388 3.889 3.816 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.038 2.386 4.513 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -11.886 1.161 1.810 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -12.926 1.168 3.255 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.516 1.870 1.730 1.00 0.00 H new ATOM 269 N THR A 15 -12.142 5.319 5.242 1.00 0.00 N ATOM 270 CA THR A 15 -11.542 6.537 5.773 1.00 0.00 C ATOM 271 C THR A 15 -10.119 6.282 6.257 1.00 0.00 C ATOM 272 O THR A 15 -9.738 5.141 6.520 1.00 0.00 O ATOM 273 CB THR A 15 -12.373 7.111 6.935 1.00 0.00 C ATOM 274 OG1 THR A 15 -12.501 6.136 7.975 1.00 0.00 O ATOM 275 CG2 THR A 15 -13.752 7.536 6.456 1.00 0.00 C ATOM 0 H THR A 15 -12.254 4.571 5.926 1.00 0.00 H new ATOM 0 HA THR A 15 -11.521 7.261 4.959 1.00 0.00 H new ATOM 0 HB THR A 15 -11.856 7.988 7.324 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.046 5.387 7.656 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.320 7.938 7.295 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.650 8.301 5.686 1.00 0.00 H new ATOM 0 HG23 THR A 15 -14.276 6.674 6.043 1.00 0.00 H new ATOM 283 N ALA A 16 -9.338 7.350 6.374 1.00 0.00 N ATOM 284 CA ALA A 16 -7.958 7.242 6.830 1.00 0.00 C ATOM 285 C ALA A 16 -7.883 6.569 8.197 1.00 0.00 C ATOM 286 O ALA A 16 -6.981 5.773 8.458 1.00 0.00 O ATOM 287 CB ALA A 16 -7.309 8.617 6.881 1.00 0.00 C ATOM 0 H ALA A 16 -9.638 8.301 6.159 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.414 6.622 6.118 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.279 8.521 7.223 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.321 9.062 5.886 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.862 9.255 7.570 1.00 0.00 H new ATOM 293 N ASP A 17 -8.834 6.895 9.064 1.00 0.00 N ATOM 294 CA ASP A 17 -8.876 6.322 10.405 1.00 0.00 C ATOM 295 C ASP A 17 -9.076 4.811 10.344 1.00 0.00 C ATOM 296 O ASP A 17 -8.468 4.063 11.111 1.00 0.00 O ATOM 297 CB ASP A 17 -9.997 6.964 11.223 1.00 0.00 C ATOM 298 CG ASP A 17 -9.554 8.239 11.912 1.00 0.00 C ATOM 299 OD1 ASP A 17 -8.337 8.396 12.144 1.00 0.00 O ATOM 300 OD2 ASP A 17 -10.424 9.081 12.221 1.00 0.00 O ATOM 0 H ASP A 17 -9.587 7.553 8.863 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.921 6.525 10.890 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.841 7.183 10.569 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.349 6.254 11.971 1.00 0.00 H new ATOM 305 N ASP A 18 -9.930 4.368 9.428 1.00 0.00 N ATOM 306 CA ASP A 18 -10.209 2.947 9.266 1.00 0.00 C ATOM 307 C ASP A 18 -8.963 2.196 8.805 1.00 0.00 C ATOM 308 O ASP A 18 -8.685 1.090 9.269 1.00 0.00 O ATOM 309 CB ASP A 18 -11.346 2.739 8.263 1.00 0.00 C ATOM 310 CG ASP A 18 -12.693 3.155 8.820 1.00 0.00 C ATOM 311 OD1 ASP A 18 -12.887 3.044 10.049 1.00 0.00 O ATOM 312 OD2 ASP A 18 -13.552 3.593 8.027 1.00 0.00 O ATOM 0 H ASP A 18 -10.441 4.974 8.786 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.512 2.550 10.235 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.138 3.311 7.359 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.384 1.689 7.974 1.00 0.00 H new ATOM 317 N LEU A 19 -8.219 2.805 7.889 1.00 0.00 N ATOM 318 CA LEU A 19 -7.002 2.195 7.363 1.00 0.00 C ATOM 319 C LEU A 19 -5.971 1.996 8.469 1.00 0.00 C ATOM 320 O LEU A 19 -5.385 0.921 8.599 1.00 0.00 O ATOM 321 CB LEU A 19 -6.413 3.062 6.250 1.00 0.00 C ATOM 322 CG LEU A 19 -6.856 2.722 4.827 1.00 0.00 C ATOM 323 CD1 LEU A 19 -6.095 3.563 3.814 1.00 0.00 C ATOM 324 CD2 LEU A 19 -6.658 1.239 4.547 1.00 0.00 C ATOM 0 H LEU A 19 -8.436 3.720 7.495 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.262 1.218 6.954 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.673 4.101 6.451 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.326 2.990 6.298 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.918 2.951 4.734 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.424 3.306 2.807 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.287 4.620 4.000 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.027 3.367 3.907 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.979 1.015 3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.604 0.985 4.660 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.249 0.654 5.251 1.00 0.00 H new ATOM 336 N ARG A 20 -5.756 3.039 9.265 1.00 0.00 N ATOM 337 CA ARG A 20 -4.796 2.979 10.360 1.00 0.00 C ATOM 338 C ARG A 20 -5.282 2.035 11.457 1.00 0.00 C ATOM 339 O ARG A 20 -4.491 1.306 12.056 1.00 0.00 O ATOM 340 CB ARG A 20 -4.562 4.375 10.940 1.00 0.00 C ATOM 341 CG ARG A 20 -5.828 5.036 11.462 1.00 0.00 C ATOM 342 CD ARG A 20 -5.558 6.455 11.942 1.00 0.00 C ATOM 343 NE ARG A 20 -4.472 6.505 12.917 1.00 0.00 N ATOM 344 CZ ARG A 20 -4.094 7.617 13.539 1.00 0.00 C ATOM 345 NH1 ARG A 20 -4.711 8.762 13.288 1.00 0.00 N ATOM 346 NH2 ARG A 20 -3.097 7.582 14.414 1.00 0.00 N ATOM 0 H ARG A 20 -6.234 3.935 9.172 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.855 2.596 9.965 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.837 4.306 11.751 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.121 5.010 10.171 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.582 5.054 10.675 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.237 4.445 12.281 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.308 7.085 11.088 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.464 6.866 12.387 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.977 5.640 13.132 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.478 8.791 12.616 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.419 9.614 13.767 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.621 6.702 14.609 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.807 8.436 14.891 1.00 0.00 H new ATOM 360 N GLN A 21 -6.585 2.059 11.715 1.00 0.00 N ATOM 361 CA GLN A 21 -7.176 1.206 12.741 1.00 0.00 C ATOM 362 C GLN A 21 -7.151 -0.258 12.313 1.00 0.00 C ATOM 363 O GLN A 21 -7.024 -1.156 13.145 1.00 0.00 O ATOM 364 CB GLN A 21 -8.613 1.642 13.031 1.00 0.00 C ATOM 365 CG GLN A 21 -9.476 0.538 13.619 1.00 0.00 C ATOM 366 CD GLN A 21 -9.095 0.197 15.046 1.00 0.00 C ATOM 367 OE1 GLN A 21 -8.688 -0.927 15.340 1.00 0.00 O ATOM 368 NE2 GLN A 21 -9.225 1.168 15.943 1.00 0.00 N ATOM 0 H GLN A 21 -7.252 2.659 11.229 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.583 1.309 13.650 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -8.596 2.485 13.722 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -9.070 1.996 12.107 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -10.522 0.845 13.590 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -9.388 -0.355 13.000 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.566 2.085 15.656 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -8.984 0.996 16.919 1.00 0.00 H new ATOM 377 N LEU A 22 -7.276 -0.489 11.011 1.00 0.00 N ATOM 378 CA LEU A 22 -7.270 -1.845 10.471 1.00 0.00 C ATOM 379 C LEU A 22 -5.894 -2.485 10.622 1.00 0.00 C ATOM 380 O LEU A 22 -5.771 -3.608 11.111 1.00 0.00 O ATOM 381 CB LEU A 22 -7.679 -1.830 8.997 1.00 0.00 C ATOM 382 CG LEU A 22 -7.685 -3.185 8.288 1.00 0.00 C ATOM 383 CD1 LEU A 22 -8.948 -3.959 8.629 1.00 0.00 C ATOM 384 CD2 LEU A 22 -7.561 -3.000 6.783 1.00 0.00 C ATOM 0 H LEU A 22 -7.383 0.244 10.310 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.990 -2.438 11.035 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.677 -1.399 8.922 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.003 -1.164 8.460 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.826 -3.759 8.635 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.935 -4.921 8.116 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.995 -4.123 9.706 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.821 -3.389 8.310 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.567 -3.975 6.295 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.400 -2.407 6.419 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.627 -2.486 6.555 1.00 0.00 H new ATOM 396 N PHE A 23 -4.862 -1.761 10.202 1.00 0.00 N ATOM 397 CA PHE A 23 -3.493 -2.258 10.292 1.00 0.00 C ATOM 398 C PHE A 23 -3.095 -2.495 11.746 1.00 0.00 C ATOM 399 O PHE A 23 -2.455 -3.493 12.071 1.00 0.00 O ATOM 400 CB PHE A 23 -2.525 -1.267 9.642 1.00 0.00 C ATOM 401 CG PHE A 23 -2.312 -1.513 8.175 1.00 0.00 C ATOM 402 CD1 PHE A 23 -3.298 -1.192 7.256 1.00 0.00 C ATOM 403 CD2 PHE A 23 -1.127 -2.065 7.716 1.00 0.00 C ATOM 404 CE1 PHE A 23 -3.106 -1.417 5.905 1.00 0.00 C ATOM 405 CE2 PHE A 23 -0.929 -2.292 6.367 1.00 0.00 C ATOM 406 CZ PHE A 23 -1.920 -1.968 5.461 1.00 0.00 C ATOM 0 H PHE A 23 -4.947 -0.829 9.796 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.442 -3.208 9.760 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.905 -0.255 9.781 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.564 -1.320 10.155 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.227 -0.761 7.599 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.349 -2.321 8.420 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -3.882 -1.162 5.198 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.000 -2.722 6.022 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.768 -2.145 4.407 1.00 0.00 H new ATOM 416 N GLY A 24 -3.479 -1.566 12.618 1.00 0.00 N ATOM 417 CA GLY A 24 -3.153 -1.692 14.026 1.00 0.00 C ATOM 418 C GLY A 24 -3.834 -2.879 14.676 1.00 0.00 C ATOM 419 O GLY A 24 -3.254 -3.544 15.535 1.00 0.00 O ATOM 0 H GLY A 24 -4.009 -0.730 12.374 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.073 -1.791 14.138 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.445 -0.780 14.546 1.00 0.00 H new ATOM 423 N ASP A 25 -5.069 -3.148 14.267 1.00 0.00 N ATOM 424 CA ASP A 25 -5.831 -4.264 14.815 1.00 0.00 C ATOM 425 C ASP A 25 -5.146 -5.592 14.510 1.00 0.00 C ATOM 426 O ASP A 25 -5.243 -6.544 15.283 1.00 0.00 O ATOM 427 CB ASP A 25 -7.253 -4.266 14.249 1.00 0.00 C ATOM 428 CG ASP A 25 -8.116 -5.353 14.859 1.00 0.00 C ATOM 429 OD1 ASP A 25 -7.903 -6.538 14.526 1.00 0.00 O ATOM 430 OD2 ASP A 25 -9.005 -5.018 15.669 1.00 0.00 O ATOM 0 H ASP A 25 -5.564 -2.608 13.557 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.880 -4.142 15.897 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.714 -3.295 14.430 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.211 -4.403 13.168 1.00 0.00 H new ATOM 435 N ARG A 26 -4.455 -5.648 13.376 1.00 0.00 N ATOM 436 CA ARG A 26 -3.756 -6.860 12.967 1.00 0.00 C ATOM 437 C ARG A 26 -2.332 -6.877 13.514 1.00 0.00 C ATOM 438 O ARG A 26 -1.468 -7.596 13.009 1.00 0.00 O ATOM 439 CB ARG A 26 -3.728 -6.968 11.441 1.00 0.00 C ATOM 440 CG ARG A 26 -5.050 -7.413 10.837 1.00 0.00 C ATOM 441 CD ARG A 26 -5.339 -8.874 11.142 1.00 0.00 C ATOM 442 NE ARG A 26 -4.802 -9.763 10.116 1.00 0.00 N ATOM 443 CZ ARG A 26 -5.000 -11.077 10.106 1.00 0.00 C ATOM 444 NH1 ARG A 26 -5.719 -11.650 11.061 1.00 0.00 N ATOM 445 NH2 ARG A 26 -4.479 -11.820 9.138 1.00 0.00 N ATOM 0 H ARG A 26 -4.364 -4.868 12.725 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.295 -7.715 13.376 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.454 -6.000 11.022 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.950 -7.673 11.149 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.857 -6.792 11.227 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.027 -7.263 9.758 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.909 -9.135 12.109 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -6.416 -9.022 11.222 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.245 -9.353 9.366 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.122 -11.082 11.806 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.869 -12.659 11.051 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -3.926 -11.383 8.401 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -4.631 -12.829 9.131 1.00 0.00 H new ATOM 459 N LYS A 27 -2.092 -6.081 14.550 1.00 0.00 N ATOM 460 CA LYS A 27 -0.774 -6.004 15.168 1.00 0.00 C ATOM 461 C LYS A 27 0.263 -5.485 14.176 1.00 0.00 C ATOM 462 O LYS A 27 1.439 -5.842 14.250 1.00 0.00 O ATOM 463 CB LYS A 27 -0.352 -7.379 15.691 1.00 0.00 C ATOM 464 CG LYS A 27 -0.914 -7.706 17.064 1.00 0.00 C ATOM 465 CD LYS A 27 -2.282 -8.359 16.965 1.00 0.00 C ATOM 466 CE LYS A 27 -2.690 -9.000 18.284 1.00 0.00 C ATOM 467 NZ LYS A 27 -3.086 -7.981 19.296 1.00 0.00 N ATOM 0 H LYS A 27 -2.794 -5.479 14.980 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.832 -5.307 16.004 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.676 -8.143 14.984 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.736 -7.424 15.733 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.229 -8.372 17.589 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.987 -6.793 17.655 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.023 -7.613 16.677 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.270 -9.115 16.180 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.521 -9.685 18.114 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.862 -9.594 18.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.357 -8.457 20.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.285 -7.343 19.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.893 -7.431 18.938 1.00 0.00 H new ATOM 481 N LEU A 28 -0.181 -4.643 13.251 1.00 0.00 N ATOM 482 CA LEU A 28 0.709 -4.073 12.245 1.00 0.00 C ATOM 483 C LEU A 28 0.711 -2.550 12.319 1.00 0.00 C ATOM 484 O LEU A 28 0.036 -1.866 11.548 1.00 0.00 O ATOM 485 CB LEU A 28 0.287 -4.527 10.846 1.00 0.00 C ATOM 486 CG LEU A 28 0.459 -6.015 10.543 1.00 0.00 C ATOM 487 CD1 LEU A 28 -0.265 -6.387 9.258 1.00 0.00 C ATOM 488 CD2 LEU A 28 1.936 -6.372 10.447 1.00 0.00 C ATOM 0 H LEU A 28 -1.152 -4.339 13.176 1.00 0.00 H new ATOM 0 HA LEU A 28 1.719 -4.429 12.446 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.762 -4.266 10.702 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.860 -3.959 10.113 1.00 0.00 H new ATOM 0 HG LEU A 28 0.019 -6.585 11.361 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.131 -7.450 9.059 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.328 -6.169 9.363 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.144 -5.809 8.429 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.040 -7.435 10.231 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.399 -5.792 9.649 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.428 -6.144 11.393 1.00 0.00 H new ATOM 500 N PRO A 29 1.488 -2.004 13.266 1.00 0.00 N ATOM 501 CA PRO A 29 1.599 -0.555 13.461 1.00 0.00 C ATOM 502 C PRO A 29 2.342 0.128 12.318 1.00 0.00 C ATOM 503 O PRO A 29 3.494 -0.198 12.030 1.00 0.00 O ATOM 504 CB PRO A 29 2.392 -0.432 14.764 1.00 0.00 C ATOM 505 CG PRO A 29 3.174 -1.697 14.852 1.00 0.00 C ATOM 506 CD PRO A 29 2.319 -2.759 14.219 1.00 0.00 C ATOM 0 HA PRO A 29 0.622 -0.072 13.494 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.048 0.439 14.748 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.729 -0.316 15.621 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.127 -1.603 14.332 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.399 -1.945 15.889 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.923 -3.514 13.715 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.710 -3.279 14.959 1.00 0.00 H new ATOM 514 N LEU A 30 1.677 1.077 11.670 1.00 0.00 N ATOM 515 CA LEU A 30 2.276 1.809 10.558 1.00 0.00 C ATOM 516 C LEU A 30 3.210 2.902 11.065 1.00 0.00 C ATOM 517 O LEU A 30 2.763 3.912 11.608 1.00 0.00 O ATOM 518 CB LEU A 30 1.185 2.422 9.679 1.00 0.00 C ATOM 519 CG LEU A 30 0.203 1.437 9.044 1.00 0.00 C ATOM 520 CD1 LEU A 30 -1.146 2.102 8.812 1.00 0.00 C ATOM 521 CD2 LEU A 30 0.762 0.893 7.738 1.00 0.00 C ATOM 0 H LEU A 30 0.723 1.358 11.895 1.00 0.00 H new ATOM 0 HA LEU A 30 2.860 1.105 9.965 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.618 3.132 10.281 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.665 2.990 8.882 1.00 0.00 H new ATOM 0 HG LEU A 30 0.061 0.603 9.731 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.832 1.386 8.360 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.553 2.442 9.764 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.021 2.955 8.146 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.049 0.194 7.301 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.934 1.716 7.045 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.703 0.378 7.931 1.00 0.00 H new ATOM 533 N ALA A 31 4.510 2.694 10.883 1.00 0.00 N ATOM 534 CA ALA A 31 5.507 3.664 11.319 1.00 0.00 C ATOM 535 C ALA A 31 5.864 4.628 10.192 1.00 0.00 C ATOM 536 O ALA A 31 7.007 5.069 10.079 1.00 0.00 O ATOM 537 CB ALA A 31 6.753 2.951 11.821 1.00 0.00 C ATOM 0 H ALA A 31 4.897 1.863 10.437 1.00 0.00 H new ATOM 0 HA ALA A 31 5.080 4.244 12.137 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.489 3.688 12.143 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.491 2.308 12.661 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.174 2.345 11.019 1.00 0.00 H new ATOM 543 N GLY A 32 4.879 4.949 9.359 1.00 0.00 N ATOM 544 CA GLY A 32 5.111 5.857 8.251 1.00 0.00 C ATOM 545 C GLY A 32 3.898 6.710 7.938 1.00 0.00 C ATOM 546 O GLY A 32 2.957 6.774 8.727 1.00 0.00 O ATOM 0 H GLY A 32 3.925 4.597 9.432 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.956 6.504 8.486 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.386 5.283 7.366 1.00 0.00 H new ATOM 550 N GLN A 33 3.922 7.367 6.782 1.00 0.00 N ATOM 551 CA GLN A 33 2.816 8.223 6.368 1.00 0.00 C ATOM 552 C GLN A 33 1.719 7.405 5.694 1.00 0.00 C ATOM 553 O GLN A 33 1.981 6.345 5.125 1.00 0.00 O ATOM 554 CB GLN A 33 3.314 9.313 5.418 1.00 0.00 C ATOM 555 CG GLN A 33 2.251 10.337 5.056 1.00 0.00 C ATOM 556 CD GLN A 33 1.921 11.267 6.207 1.00 0.00 C ATOM 557 OE1 GLN A 33 2.789 11.615 7.008 1.00 0.00 O ATOM 558 NE2 GLN A 33 0.660 11.673 6.297 1.00 0.00 N ATOM 0 H GLN A 33 4.694 7.323 6.117 1.00 0.00 H new ATOM 0 HA GLN A 33 2.399 8.692 7.259 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.159 9.826 5.878 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.683 8.846 4.505 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.594 10.926 4.205 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.345 9.819 4.741 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.027 11.360 5.611 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.378 12.298 7.052 1.00 0.00 H new ATOM 567 N VAL A 34 0.489 7.906 5.759 1.00 0.00 N ATOM 568 CA VAL A 34 -0.648 7.223 5.154 1.00 0.00 C ATOM 569 C VAL A 34 -1.345 8.115 4.134 1.00 0.00 C ATOM 570 O VAL A 34 -1.640 9.280 4.409 1.00 0.00 O ATOM 571 CB VAL A 34 -1.670 6.783 6.219 1.00 0.00 C ATOM 572 CG1 VAL A 34 -2.899 6.174 5.560 1.00 0.00 C ATOM 573 CG2 VAL A 34 -1.036 5.802 7.194 1.00 0.00 C ATOM 0 H VAL A 34 0.255 8.783 6.225 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.256 6.339 4.651 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.986 7.663 6.780 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.610 5.869 6.328 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.365 6.912 4.907 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.604 5.304 4.973 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.773 5.502 7.939 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.690 4.922 6.652 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.191 6.278 7.691 1.00 0.00 H new ATOM 583 N LEU A 35 -1.607 7.563 2.954 1.00 0.00 N ATOM 584 CA LEU A 35 -2.271 8.308 1.891 1.00 0.00 C ATOM 585 C LEU A 35 -3.544 7.598 1.439 1.00 0.00 C ATOM 586 O LEU A 35 -3.529 6.400 1.153 1.00 0.00 O ATOM 587 CB LEU A 35 -1.326 8.490 0.702 1.00 0.00 C ATOM 588 CG LEU A 35 -0.339 9.655 0.801 1.00 0.00 C ATOM 589 CD1 LEU A 35 0.941 9.210 1.492 1.00 0.00 C ATOM 590 CD2 LEU A 35 -0.036 10.216 -0.580 1.00 0.00 C ATOM 0 H LEU A 35 -1.369 6.602 2.710 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.544 9.287 2.284 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.758 7.569 0.571 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.927 8.625 -0.197 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.795 10.445 1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.632 10.051 1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.708 8.857 2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.401 8.403 0.921 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.668 11.044 -0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.400 9.435 -1.202 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.959 10.572 -1.038 1.00 0.00 H new ATOM 602 N LEU A 36 -4.641 8.342 1.378 1.00 0.00 N ATOM 603 CA LEU A 36 -5.922 7.784 0.958 1.00 0.00 C ATOM 604 C LEU A 36 -6.438 8.484 -0.296 1.00 0.00 C ATOM 605 O LEU A 36 -6.751 9.674 -0.271 1.00 0.00 O ATOM 606 CB LEU A 36 -6.949 7.912 2.085 1.00 0.00 C ATOM 607 CG LEU A 36 -8.401 7.623 1.705 1.00 0.00 C ATOM 608 CD1 LEU A 36 -8.613 6.131 1.497 1.00 0.00 C ATOM 609 CD2 LEU A 36 -9.348 8.153 2.773 1.00 0.00 C ATOM 0 H LEU A 36 -4.670 9.334 1.614 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.772 6.729 0.727 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.663 7.234 2.889 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.894 8.924 2.487 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.618 8.134 0.767 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.653 5.945 1.227 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.962 5.779 0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.376 5.598 2.418 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -10.377 7.938 2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.129 7.670 3.725 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.217 9.230 2.874 1.00 0.00 H new ATOM 621 N LYS A 37 -6.523 7.737 -1.390 1.00 0.00 N ATOM 622 CA LYS A 37 -7.004 8.282 -2.654 1.00 0.00 C ATOM 623 C LYS A 37 -8.377 7.718 -3.004 1.00 0.00 C ATOM 624 O LYS A 37 -8.776 6.671 -2.495 1.00 0.00 O ATOM 625 CB LYS A 37 -6.012 7.971 -3.777 1.00 0.00 C ATOM 626 CG LYS A 37 -4.819 8.911 -3.813 1.00 0.00 C ATOM 627 CD LYS A 37 -3.936 8.739 -2.588 1.00 0.00 C ATOM 628 CE LYS A 37 -2.782 9.730 -2.589 1.00 0.00 C ATOM 629 NZ LYS A 37 -3.141 11.001 -1.902 1.00 0.00 N ATOM 0 H LYS A 37 -6.265 6.751 -1.428 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.093 9.363 -2.544 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.654 6.948 -3.661 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.532 8.021 -4.734 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.234 8.724 -4.713 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.169 9.942 -3.869 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.533 8.875 -1.686 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.544 7.722 -2.561 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.919 9.282 -2.096 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.488 9.943 -3.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.535 11.769 -2.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.137 11.230 -2.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.002 10.893 -0.877 1.00 0.00 H new ATOM 643 N SER A 38 -9.095 8.417 -3.877 1.00 0.00 N ATOM 644 CA SER A 38 -10.424 7.987 -4.293 1.00 0.00 C ATOM 645 C SER A 38 -10.347 6.708 -5.119 1.00 0.00 C ATOM 646 O SER A 38 -10.185 6.752 -6.339 1.00 0.00 O ATOM 647 CB SER A 38 -11.111 9.089 -5.101 1.00 0.00 C ATOM 648 OG SER A 38 -12.475 8.779 -5.331 1.00 0.00 O ATOM 0 H SER A 38 -8.778 9.284 -4.310 1.00 0.00 H new ATOM 0 HA SER A 38 -11.010 7.785 -3.397 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.035 10.036 -4.567 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.599 9.218 -6.054 1.00 0.00 H new ATOM 0 HG SER A 38 -12.892 9.500 -5.848 1.00 0.00 H new ATOM 654 N GLY A 39 -10.464 5.567 -4.446 1.00 0.00 N ATOM 655 CA GLY A 39 -10.404 4.290 -5.134 1.00 0.00 C ATOM 656 C GLY A 39 -9.196 3.469 -4.729 1.00 0.00 C ATOM 657 O GLY A 39 -9.148 2.262 -4.969 1.00 0.00 O ATOM 0 H GLY A 39 -10.599 5.504 -3.437 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.311 3.724 -4.923 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.379 4.461 -6.210 1.00 0.00 H new ATOM 661 N TYR A 40 -8.218 4.123 -4.113 1.00 0.00 N ATOM 662 CA TYR A 40 -7.002 3.446 -3.677 1.00 0.00 C ATOM 663 C TYR A 40 -6.338 4.203 -2.531 1.00 0.00 C ATOM 664 O TYR A 40 -6.807 5.264 -2.119 1.00 0.00 O ATOM 665 CB TYR A 40 -6.024 3.306 -4.845 1.00 0.00 C ATOM 666 CG TYR A 40 -5.872 4.570 -5.662 1.00 0.00 C ATOM 667 CD1 TYR A 40 -6.797 4.899 -6.645 1.00 0.00 C ATOM 668 CD2 TYR A 40 -4.806 5.435 -5.449 1.00 0.00 C ATOM 669 CE1 TYR A 40 -6.661 6.052 -7.395 1.00 0.00 C ATOM 670 CE2 TYR A 40 -4.664 6.591 -6.192 1.00 0.00 C ATOM 671 CZ TYR A 40 -5.594 6.895 -7.165 1.00 0.00 C ATOM 672 OH TYR A 40 -5.457 8.044 -7.909 1.00 0.00 O ATOM 0 H TYR A 40 -8.243 5.121 -3.904 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.277 2.453 -3.321 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.048 3.014 -4.458 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -6.362 2.500 -5.497 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -7.636 4.243 -6.826 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.075 5.200 -4.689 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -7.387 6.292 -8.158 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.830 7.253 -6.012 1.00 0.00 H new ATOM 0 HH TYR A 40 -4.654 8.526 -7.621 1.00 0.00 H new ATOM 682 N ALA A 41 -5.243 3.650 -2.021 1.00 0.00 N ATOM 683 CA ALA A 41 -4.511 4.273 -0.924 1.00 0.00 C ATOM 684 C ALA A 41 -3.086 3.738 -0.841 1.00 0.00 C ATOM 685 O ALA A 41 -2.812 2.609 -1.248 1.00 0.00 O ATOM 686 CB ALA A 41 -5.241 4.046 0.392 1.00 0.00 C ATOM 0 H ALA A 41 -4.843 2.771 -2.350 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.457 5.344 -1.117 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.684 4.516 1.203 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.238 4.483 0.335 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.324 2.976 0.582 1.00 0.00 H new ATOM 692 N PHE A 42 -2.182 4.556 -0.312 1.00 0.00 N ATOM 693 CA PHE A 42 -0.784 4.166 -0.178 1.00 0.00 C ATOM 694 C PHE A 42 -0.338 4.237 1.280 1.00 0.00 C ATOM 695 O PHE A 42 -0.769 5.110 2.032 1.00 0.00 O ATOM 696 CB PHE A 42 0.105 5.066 -1.039 1.00 0.00 C ATOM 697 CG PHE A 42 -0.462 5.338 -2.403 1.00 0.00 C ATOM 698 CD1 PHE A 42 -0.289 4.427 -3.433 1.00 0.00 C ATOM 699 CD2 PHE A 42 -1.167 6.503 -2.656 1.00 0.00 C ATOM 700 CE1 PHE A 42 -0.808 4.675 -4.690 1.00 0.00 C ATOM 701 CE2 PHE A 42 -1.688 6.757 -3.910 1.00 0.00 C ATOM 702 CZ PHE A 42 -1.509 5.841 -4.928 1.00 0.00 C ATOM 0 H PHE A 42 -2.393 5.493 0.031 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.686 3.136 -0.521 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.258 6.013 -0.522 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.084 4.600 -1.147 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.257 3.513 -3.252 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.311 7.222 -1.863 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -0.666 3.958 -5.485 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.234 7.670 -4.094 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.917 6.036 -5.909 1.00 0.00 H new ATOM 712 N VAL A 43 0.530 3.308 1.672 1.00 0.00 N ATOM 713 CA VAL A 43 1.035 3.264 3.039 1.00 0.00 C ATOM 714 C VAL A 43 2.547 3.065 3.059 1.00 0.00 C ATOM 715 O VAL A 43 3.095 2.308 2.258 1.00 0.00 O ATOM 716 CB VAL A 43 0.369 2.136 3.848 1.00 0.00 C ATOM 717 CG1 VAL A 43 -1.084 2.475 4.141 1.00 0.00 C ATOM 718 CG2 VAL A 43 0.478 0.813 3.106 1.00 0.00 C ATOM 0 H VAL A 43 0.897 2.577 1.063 1.00 0.00 H new ATOM 0 HA VAL A 43 0.791 4.222 3.498 1.00 0.00 H new ATOM 0 HB VAL A 43 0.892 2.037 4.799 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.538 1.666 4.713 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.133 3.399 4.717 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.624 2.603 3.203 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.002 0.027 3.692 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.019 0.896 2.139 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.529 0.567 2.954 1.00 0.00 H new ATOM 728 N ASP A 44 3.216 3.751 3.980 1.00 0.00 N ATOM 729 CA ASP A 44 4.665 3.649 4.108 1.00 0.00 C ATOM 730 C ASP A 44 5.048 2.549 5.092 1.00 0.00 C ATOM 731 O ASP A 44 4.647 2.576 6.256 1.00 0.00 O ATOM 732 CB ASP A 44 5.254 4.985 4.561 1.00 0.00 C ATOM 733 CG ASP A 44 5.095 6.072 3.516 1.00 0.00 C ATOM 734 OD1 ASP A 44 3.999 6.173 2.927 1.00 0.00 O ATOM 735 OD2 ASP A 44 6.068 6.821 3.286 1.00 0.00 O ATOM 0 H ASP A 44 2.777 4.384 4.649 1.00 0.00 H new ATOM 0 HA ASP A 44 5.074 3.394 3.130 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.767 5.299 5.484 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.312 4.854 4.787 1.00 0.00 H new ATOM 740 N TYR A 45 5.826 1.582 4.619 1.00 0.00 N ATOM 741 CA TYR A 45 6.260 0.470 5.457 1.00 0.00 C ATOM 742 C TYR A 45 7.615 0.766 6.094 1.00 0.00 C ATOM 743 O TYR A 45 8.488 1.392 5.494 1.00 0.00 O ATOM 744 CB TYR A 45 6.340 -0.816 4.634 1.00 0.00 C ATOM 745 CG TYR A 45 7.383 -0.771 3.540 1.00 0.00 C ATOM 746 CD1 TYR A 45 8.728 -0.973 3.826 1.00 0.00 C ATOM 747 CD2 TYR A 45 7.024 -0.527 2.220 1.00 0.00 C ATOM 748 CE1 TYR A 45 9.685 -0.932 2.830 1.00 0.00 C ATOM 749 CE2 TYR A 45 7.974 -0.486 1.217 1.00 0.00 C ATOM 750 CZ TYR A 45 9.302 -0.688 1.528 1.00 0.00 C ATOM 751 OH TYR A 45 10.251 -0.648 0.533 1.00 0.00 O ATOM 0 H TYR A 45 6.169 1.545 3.659 1.00 0.00 H new ATOM 0 HA TYR A 45 5.526 0.338 6.252 1.00 0.00 H new ATOM 0 HB2 TYR A 45 6.560 -1.650 5.300 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.365 -1.013 4.187 1.00 0.00 H new ATOM 0 HD1 TYR A 45 9.031 -1.165 4.845 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.985 -0.367 1.974 1.00 0.00 H new ATOM 0 HE1 TYR A 45 10.726 -1.090 3.070 1.00 0.00 H new ATOM 0 HE2 TYR A 45 7.678 -0.297 0.196 1.00 0.00 H new ATOM 0 HH TYR A 45 9.942 -1.172 -0.235 1.00 0.00 H new ATOM 761 N PRO A 46 7.795 0.304 7.340 1.00 0.00 N ATOM 762 CA PRO A 46 9.041 0.504 8.086 1.00 0.00 C ATOM 763 C PRO A 46 10.197 -0.308 7.513 1.00 0.00 C ATOM 764 O PRO A 46 11.299 0.209 7.327 1.00 0.00 O ATOM 765 CB PRO A 46 8.693 0.017 9.495 1.00 0.00 C ATOM 766 CG PRO A 46 7.581 -0.954 9.296 1.00 0.00 C ATOM 767 CD PRO A 46 6.797 -0.451 8.116 1.00 0.00 C ATOM 0 HA PRO A 46 9.376 1.541 8.049 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.551 -0.456 9.974 1.00 0.00 H new ATOM 0 HB3 PRO A 46 8.387 0.844 10.135 1.00 0.00 H new ATOM 0 HG2 PRO A 46 7.967 -1.956 9.109 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.953 -1.015 10.185 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.373 -1.271 7.536 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.966 0.183 8.426 1.00 0.00 H new ATOM 775 N ASP A 47 9.939 -1.582 7.234 1.00 0.00 N ATOM 776 CA ASP A 47 10.958 -2.464 6.680 1.00 0.00 C ATOM 777 C ASP A 47 10.350 -3.427 5.665 1.00 0.00 C ATOM 778 O ASP A 47 9.144 -3.671 5.673 1.00 0.00 O ATOM 779 CB ASP A 47 11.645 -3.251 7.799 1.00 0.00 C ATOM 780 CG ASP A 47 12.973 -3.838 7.362 1.00 0.00 C ATOM 781 OD1 ASP A 47 12.976 -4.975 6.844 1.00 0.00 O ATOM 782 OD2 ASP A 47 14.007 -3.162 7.536 1.00 0.00 O ATOM 0 H ASP A 47 9.033 -2.026 7.383 1.00 0.00 H new ATOM 0 HA ASP A 47 11.699 -1.848 6.171 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.805 -2.596 8.655 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.987 -4.054 8.131 1.00 0.00 H new ATOM 787 N GLN A 48 11.193 -3.967 4.792 1.00 0.00 N ATOM 788 CA GLN A 48 10.737 -4.902 3.768 1.00 0.00 C ATOM 789 C GLN A 48 10.017 -6.090 4.398 1.00 0.00 C ATOM 790 O GLN A 48 8.996 -6.550 3.889 1.00 0.00 O ATOM 791 CB GLN A 48 11.920 -5.393 2.932 1.00 0.00 C ATOM 792 CG GLN A 48 11.557 -6.497 1.952 1.00 0.00 C ATOM 793 CD GLN A 48 12.675 -6.801 0.976 1.00 0.00 C ATOM 794 OE1 GLN A 48 12.820 -6.134 -0.049 1.00 0.00 O ATOM 795 NE2 GLN A 48 13.474 -7.816 1.289 1.00 0.00 N ATOM 0 H GLN A 48 12.194 -3.774 4.772 1.00 0.00 H new ATOM 0 HA GLN A 48 10.036 -4.377 3.119 1.00 0.00 H new ATOM 0 HB2 GLN A 48 12.338 -4.551 2.380 1.00 0.00 H new ATOM 0 HB3 GLN A 48 12.701 -5.755 3.601 1.00 0.00 H new ATOM 0 HG2 GLN A 48 11.307 -7.402 2.506 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.665 -6.206 1.397 1.00 0.00 H new ATOM 0 HE21 GLN A 48 13.317 -8.342 2.149 1.00 0.00 H new ATOM 0 HE22 GLN A 48 14.244 -8.069 0.669 1.00 0.00 H new ATOM 804 N ASN A 49 10.557 -6.582 5.508 1.00 0.00 N ATOM 805 CA ASN A 49 9.965 -7.718 6.207 1.00 0.00 C ATOM 806 C ASN A 49 8.562 -7.381 6.703 1.00 0.00 C ATOM 807 O ASN A 49 7.642 -8.190 6.585 1.00 0.00 O ATOM 808 CB ASN A 49 10.848 -8.133 7.386 1.00 0.00 C ATOM 809 CG ASN A 49 10.490 -7.399 8.663 1.00 0.00 C ATOM 810 OD1 ASN A 49 10.905 -6.260 8.876 1.00 0.00 O ATOM 811 ND2 ASN A 49 9.715 -8.052 9.523 1.00 0.00 N ATOM 0 H ASN A 49 11.403 -6.213 5.943 1.00 0.00 H new ATOM 0 HA ASN A 49 9.893 -8.548 5.504 1.00 0.00 H new ATOM 0 HB2 ASN A 49 10.752 -9.207 7.548 1.00 0.00 H new ATOM 0 HB3 ASN A 49 11.892 -7.940 7.140 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.441 -7.610 10.400 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.394 -8.995 9.305 1.00 0.00 H new ATOM 818 N TRP A 50 8.407 -6.183 7.254 1.00 0.00 N ATOM 819 CA TRP A 50 7.115 -5.739 7.767 1.00 0.00 C ATOM 820 C TRP A 50 6.088 -5.646 6.645 1.00 0.00 C ATOM 821 O TRP A 50 4.936 -6.045 6.812 1.00 0.00 O ATOM 822 CB TRP A 50 7.258 -4.382 8.459 1.00 0.00 C ATOM 823 CG TRP A 50 5.964 -3.852 8.997 1.00 0.00 C ATOM 824 CD1 TRP A 50 5.559 -3.848 10.301 1.00 0.00 C ATOM 825 CD2 TRP A 50 4.904 -3.252 8.244 1.00 0.00 C ATOM 826 NE1 TRP A 50 4.311 -3.280 10.404 1.00 0.00 N ATOM 827 CE2 TRP A 50 3.889 -2.905 9.157 1.00 0.00 C ATOM 828 CE3 TRP A 50 4.716 -2.970 6.888 1.00 0.00 C ATOM 829 CZ2 TRP A 50 2.704 -2.294 8.754 1.00 0.00 C ATOM 830 CZ3 TRP A 50 3.540 -2.364 6.491 1.00 0.00 C ATOM 831 CH2 TRP A 50 2.547 -2.031 7.421 1.00 0.00 C ATOM 0 H TRP A 50 9.159 -5.501 7.357 1.00 0.00 H new ATOM 0 HA TRP A 50 6.767 -6.474 8.493 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.974 -4.472 9.276 1.00 0.00 H new ATOM 0 HB3 TRP A 50 7.671 -3.663 7.752 1.00 0.00 H new ATOM 0 HD1 TRP A 50 6.134 -4.234 11.130 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.785 -3.158 11.269 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.477 -3.221 6.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.936 -2.037 9.469 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.383 -2.143 5.445 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.639 -1.557 7.079 1.00 0.00 H new ATOM 842 N ALA A 51 6.512 -5.118 5.501 1.00 0.00 N ATOM 843 CA ALA A 51 5.628 -4.974 4.351 1.00 0.00 C ATOM 844 C ALA A 51 5.152 -6.334 3.853 1.00 0.00 C ATOM 845 O ALA A 51 3.968 -6.522 3.570 1.00 0.00 O ATOM 846 CB ALA A 51 6.333 -4.218 3.234 1.00 0.00 C ATOM 0 H ALA A 51 7.463 -4.783 5.346 1.00 0.00 H new ATOM 0 HA ALA A 51 4.754 -4.404 4.665 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.661 -4.118 2.382 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.619 -3.228 3.589 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.225 -4.766 2.930 1.00 0.00 H new ATOM 852 N ILE A 52 6.080 -7.279 3.747 1.00 0.00 N ATOM 853 CA ILE A 52 5.753 -8.622 3.283 1.00 0.00 C ATOM 854 C ILE A 52 4.814 -9.327 4.256 1.00 0.00 C ATOM 855 O ILE A 52 3.838 -9.955 3.847 1.00 0.00 O ATOM 856 CB ILE A 52 7.020 -9.477 3.099 1.00 0.00 C ATOM 857 CG1 ILE A 52 7.959 -8.825 2.082 1.00 0.00 C ATOM 858 CG2 ILE A 52 6.649 -10.885 2.657 1.00 0.00 C ATOM 859 CD1 ILE A 52 9.390 -9.305 2.186 1.00 0.00 C ATOM 0 H ILE A 52 7.064 -7.140 3.976 1.00 0.00 H new ATOM 0 HA ILE A 52 5.256 -8.511 2.319 1.00 0.00 H new ATOM 0 HB ILE A 52 7.539 -9.541 4.056 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.589 -9.026 1.077 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.936 -7.744 2.219 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.555 -11.477 2.531 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.015 -11.348 3.413 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.111 -10.839 1.710 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.998 -8.801 1.435 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.778 -9.079 3.179 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.426 -10.381 2.019 1.00 0.00 H new ATOM 871 N ARG A 53 5.116 -9.216 5.546 1.00 0.00 N ATOM 872 CA ARG A 53 4.299 -9.842 6.578 1.00 0.00 C ATOM 873 C ARG A 53 2.947 -9.144 6.699 1.00 0.00 C ATOM 874 O ARG A 53 1.925 -9.786 6.936 1.00 0.00 O ATOM 875 CB ARG A 53 5.026 -9.808 7.924 1.00 0.00 C ATOM 876 CG ARG A 53 4.199 -10.357 9.076 1.00 0.00 C ATOM 877 CD ARG A 53 5.084 -10.866 10.203 1.00 0.00 C ATOM 878 NE ARG A 53 5.398 -9.816 11.169 1.00 0.00 N ATOM 879 CZ ARG A 53 5.929 -10.052 12.364 1.00 0.00 C ATOM 880 NH1 ARG A 53 6.204 -11.294 12.737 1.00 0.00 N ATOM 881 NH2 ARG A 53 6.186 -9.044 13.187 1.00 0.00 N ATOM 0 H ARG A 53 5.920 -8.699 5.901 1.00 0.00 H new ATOM 0 HA ARG A 53 4.128 -10.880 6.292 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.949 -10.383 7.844 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.309 -8.780 8.149 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.538 -9.578 9.455 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.564 -11.167 8.716 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.584 -11.690 10.713 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.009 -11.264 9.786 1.00 0.00 H new ATOM 0 HE ARG A 53 5.199 -8.849 10.912 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.008 -12.071 12.106 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.612 -11.472 13.655 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.976 -8.087 12.903 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.594 -9.226 14.104 1.00 0.00 H new ATOM 895 N ALA A 54 2.953 -7.825 6.537 1.00 0.00 N ATOM 896 CA ALA A 54 1.728 -7.039 6.628 1.00 0.00 C ATOM 897 C ALA A 54 0.824 -7.291 5.425 1.00 0.00 C ATOM 898 O ALA A 54 -0.380 -7.502 5.575 1.00 0.00 O ATOM 899 CB ALA A 54 2.058 -5.559 6.742 1.00 0.00 C ATOM 0 H ALA A 54 3.792 -7.278 6.342 1.00 0.00 H new ATOM 0 HA ALA A 54 1.191 -7.350 7.524 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.134 -4.984 6.809 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.658 -5.388 7.636 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.619 -5.243 5.863 1.00 0.00 H new ATOM 905 N ILE A 55 1.412 -7.266 4.234 1.00 0.00 N ATOM 906 CA ILE A 55 0.660 -7.493 3.006 1.00 0.00 C ATOM 907 C ILE A 55 0.085 -8.905 2.966 1.00 0.00 C ATOM 908 O ILE A 55 -1.092 -9.096 2.665 1.00 0.00 O ATOM 909 CB ILE A 55 1.537 -7.271 1.760 1.00 0.00 C ATOM 910 CG1 ILE A 55 2.068 -5.836 1.732 1.00 0.00 C ATOM 911 CG2 ILE A 55 0.747 -7.575 0.496 1.00 0.00 C ATOM 912 CD1 ILE A 55 3.395 -5.698 1.019 1.00 0.00 C ATOM 0 H ILE A 55 2.407 -7.091 4.093 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.157 -6.771 2.998 1.00 0.00 H new ATOM 0 HB ILE A 55 2.387 -7.951 1.806 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.334 -5.195 1.244 1.00 0.00 H new ATOM 0 HG13 ILE A 55 2.175 -5.477 2.755 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.380 -7.414 -0.376 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.414 -8.613 0.516 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.120 -6.917 0.442 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.711 -4.655 1.037 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.143 -6.313 1.520 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.288 -6.027 -0.015 1.00 0.00 H new ATOM 924 N GLU A 56 0.924 -9.888 3.273 1.00 0.00 N ATOM 925 CA GLU A 56 0.499 -11.283 3.273 1.00 0.00 C ATOM 926 C GLU A 56 -0.588 -11.520 4.318 1.00 0.00 C ATOM 927 O GLU A 56 -1.574 -12.212 4.059 1.00 0.00 O ATOM 928 CB GLU A 56 1.691 -12.203 3.543 1.00 0.00 C ATOM 929 CG GLU A 56 2.481 -12.558 2.294 1.00 0.00 C ATOM 930 CD GLU A 56 3.268 -13.845 2.448 1.00 0.00 C ATOM 931 OE1 GLU A 56 2.639 -14.923 2.493 1.00 0.00 O ATOM 932 OE2 GLU A 56 4.513 -13.774 2.523 1.00 0.00 O ATOM 0 H GLU A 56 1.902 -9.745 3.525 1.00 0.00 H new ATOM 0 HA GLU A 56 0.089 -11.511 2.289 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.357 -11.721 4.259 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.333 -13.121 4.009 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.797 -12.653 1.451 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.166 -11.744 2.058 1.00 0.00 H new ATOM 939 N THR A 57 -0.399 -10.943 5.501 1.00 0.00 N ATOM 940 CA THR A 57 -1.361 -11.093 6.585 1.00 0.00 C ATOM 941 C THR A 57 -2.607 -10.251 6.335 1.00 0.00 C ATOM 942 O THR A 57 -3.688 -10.559 6.839 1.00 0.00 O ATOM 943 CB THR A 57 -0.747 -10.691 7.939 1.00 0.00 C ATOM 944 OG1 THR A 57 0.305 -11.597 8.289 1.00 0.00 O ATOM 945 CG2 THR A 57 -1.804 -10.686 9.033 1.00 0.00 C ATOM 0 H THR A 57 0.411 -10.368 5.732 1.00 0.00 H new ATOM 0 HA THR A 57 -1.639 -12.146 6.618 1.00 0.00 H new ATOM 0 HB THR A 57 -0.341 -9.684 7.843 1.00 0.00 H new ATOM 0 HG1 THR A 57 1.156 -11.261 7.939 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.346 -10.399 9.980 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.588 -9.973 8.778 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.236 -11.682 9.126 1.00 0.00 H new ATOM 953 N LEU A 58 -2.451 -9.187 5.555 1.00 0.00 N ATOM 954 CA LEU A 58 -3.565 -8.301 5.237 1.00 0.00 C ATOM 955 C LEU A 58 -4.171 -8.653 3.882 1.00 0.00 C ATOM 956 O LEU A 58 -5.280 -9.183 3.806 1.00 0.00 O ATOM 957 CB LEU A 58 -3.099 -6.844 5.237 1.00 0.00 C ATOM 958 CG LEU A 58 -2.687 -6.271 6.593 1.00 0.00 C ATOM 959 CD1 LEU A 58 -2.094 -4.881 6.427 1.00 0.00 C ATOM 960 CD2 LEU A 58 -3.877 -6.235 7.541 1.00 0.00 C ATOM 0 H LEU A 58 -1.563 -8.917 5.131 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.331 -8.431 6.002 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.253 -6.754 4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.902 -6.227 4.833 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.924 -6.920 7.023 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.807 -4.489 7.403 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.215 -4.935 5.784 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.834 -4.221 5.975 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.565 -5.824 8.501 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.662 -5.609 7.116 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.258 -7.246 7.685 1.00 0.00 H new ATOM 972 N SER A 59 -3.435 -8.358 2.815 1.00 0.00 N ATOM 973 CA SER A 59 -3.902 -8.641 1.463 1.00 0.00 C ATOM 974 C SER A 59 -4.267 -10.115 1.312 1.00 0.00 C ATOM 975 O SER A 59 -3.418 -10.994 1.455 1.00 0.00 O ATOM 976 CB SER A 59 -2.828 -8.263 0.441 1.00 0.00 C ATOM 977 OG SER A 59 -3.313 -8.400 -0.883 1.00 0.00 O ATOM 0 H SER A 59 -2.513 -7.923 2.861 1.00 0.00 H new ATOM 0 HA SER A 59 -4.795 -8.043 1.280 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.507 -7.235 0.609 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.952 -8.897 0.578 1.00 0.00 H new ATOM 0 HG SER A 59 -2.603 -8.166 -1.517 1.00 0.00 H new ATOM 983 N GLY A 60 -5.538 -10.377 1.022 1.00 0.00 N ATOM 984 CA GLY A 60 -5.994 -11.744 0.856 1.00 0.00 C ATOM 985 C GLY A 60 -6.550 -12.329 2.139 1.00 0.00 C ATOM 986 O GLY A 60 -7.148 -13.405 2.132 1.00 0.00 O ATOM 0 H GLY A 60 -6.260 -9.667 0.899 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.762 -11.776 0.083 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.165 -12.361 0.508 1.00 0.00 H new ATOM 990 N LYS A 61 -6.351 -11.620 3.246 1.00 0.00 N ATOM 991 CA LYS A 61 -6.835 -12.075 4.543 1.00 0.00 C ATOM 992 C LYS A 61 -7.507 -10.935 5.303 1.00 0.00 C ATOM 993 O LYS A 61 -7.759 -11.039 6.503 1.00 0.00 O ATOM 994 CB LYS A 61 -5.681 -12.642 5.372 1.00 0.00 C ATOM 995 CG LYS A 61 -5.451 -14.129 5.159 1.00 0.00 C ATOM 996 CD LYS A 61 -6.460 -14.965 5.928 1.00 0.00 C ATOM 997 CE LYS A 61 -6.261 -16.451 5.672 1.00 0.00 C ATOM 998 NZ LYS A 61 -6.645 -16.831 4.285 1.00 0.00 N ATOM 0 H LYS A 61 -5.857 -10.728 3.270 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.572 -12.860 4.372 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.767 -12.102 5.124 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.881 -12.462 6.428 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.520 -14.360 4.096 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.442 -14.391 5.477 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.365 -14.762 6.995 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.470 -14.676 5.638 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.217 -16.713 5.844 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.855 -17.025 6.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.641 -17.867 4.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.597 -16.469 4.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.965 -16.423 3.612 1.00 0.00 H new ATOM 1012 N VAL A 62 -7.798 -9.849 4.595 1.00 0.00 N ATOM 1013 CA VAL A 62 -8.444 -8.691 5.201 1.00 0.00 C ATOM 1014 C VAL A 62 -9.347 -7.979 4.201 1.00 0.00 C ATOM 1015 O VAL A 62 -8.947 -7.717 3.066 1.00 0.00 O ATOM 1016 CB VAL A 62 -7.406 -7.689 5.743 1.00 0.00 C ATOM 1017 CG1 VAL A 62 -8.069 -6.363 6.081 1.00 0.00 C ATOM 1018 CG2 VAL A 62 -6.695 -8.265 6.959 1.00 0.00 C ATOM 0 H VAL A 62 -7.597 -9.747 3.600 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.047 -9.063 6.030 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.662 -7.508 4.967 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.320 -5.669 6.462 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.527 -5.946 5.184 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.835 -6.522 6.839 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.965 -7.545 7.329 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.425 -8.477 7.741 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.185 -9.187 6.679 1.00 0.00 H new ATOM 1028 N GLU A 63 -10.566 -7.667 4.630 1.00 0.00 N ATOM 1029 CA GLU A 63 -11.526 -6.984 3.771 1.00 0.00 C ATOM 1030 C GLU A 63 -12.222 -5.854 4.523 1.00 0.00 C ATOM 1031 O GLU A 63 -12.403 -5.922 5.740 1.00 0.00 O ATOM 1032 CB GLU A 63 -12.565 -7.975 3.241 1.00 0.00 C ATOM 1033 CG GLU A 63 -13.465 -8.549 4.323 1.00 0.00 C ATOM 1034 CD GLU A 63 -12.884 -9.792 4.968 1.00 0.00 C ATOM 1035 OE1 GLU A 63 -11.646 -9.958 4.927 1.00 0.00 O ATOM 1036 OE2 GLU A 63 -13.665 -10.600 5.513 1.00 0.00 O ATOM 0 H GLU A 63 -10.912 -7.876 5.567 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.981 -6.555 2.930 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.182 -7.477 2.493 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.051 -8.793 2.736 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.634 -7.792 5.089 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -14.437 -8.789 3.892 1.00 0.00 H new ATOM 1043 N LEU A 64 -12.610 -4.816 3.792 1.00 0.00 N ATOM 1044 CA LEU A 64 -13.287 -3.670 4.389 1.00 0.00 C ATOM 1045 C LEU A 64 -14.573 -3.342 3.636 1.00 0.00 C ATOM 1046 O LEU A 64 -14.587 -3.286 2.406 1.00 0.00 O ATOM 1047 CB LEU A 64 -12.362 -2.451 4.393 1.00 0.00 C ATOM 1048 CG LEU A 64 -12.599 -1.432 5.508 1.00 0.00 C ATOM 1049 CD1 LEU A 64 -12.682 -2.128 6.858 1.00 0.00 C ATOM 1050 CD2 LEU A 64 -11.498 -0.382 5.514 1.00 0.00 C ATOM 0 H LEU A 64 -12.468 -4.744 2.785 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.545 -3.928 5.416 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.332 -2.802 4.462 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.462 -1.941 3.435 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.549 -0.932 5.321 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -12.851 -1.387 7.640 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -13.506 -2.841 6.850 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.748 -2.655 7.054 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.683 0.335 6.314 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.535 -0.866 5.676 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -11.486 0.138 4.556 1.00 0.00 H new ATOM 1062 N HIS A 65 -15.651 -3.127 4.382 1.00 0.00 N ATOM 1063 CA HIS A 65 -16.942 -2.802 3.785 1.00 0.00 C ATOM 1064 C HIS A 65 -17.440 -3.950 2.911 1.00 0.00 C ATOM 1065 O HIS A 65 -18.133 -3.731 1.919 1.00 0.00 O ATOM 1066 CB HIS A 65 -16.836 -1.523 2.955 1.00 0.00 C ATOM 1067 CG HIS A 65 -17.102 -0.275 3.740 1.00 0.00 C ATOM 1068 ND1 HIS A 65 -18.346 0.315 3.819 1.00 0.00 N ATOM 1069 CD2 HIS A 65 -16.276 0.494 4.488 1.00 0.00 C ATOM 1070 CE1 HIS A 65 -18.273 1.393 4.578 1.00 0.00 C ATOM 1071 NE2 HIS A 65 -17.028 1.524 4.997 1.00 0.00 N ATOM 0 H HIS A 65 -15.657 -3.172 5.401 1.00 0.00 H new ATOM 0 HA HIS A 65 -17.659 -2.644 4.591 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -15.838 -1.463 2.521 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -17.542 -1.578 2.126 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -15.222 0.328 4.654 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -19.093 2.055 4.816 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -16.681 2.269 5.601 1.00 0.00 H new ATOM 1079 N GLY A 66 -17.079 -5.173 3.287 1.00 0.00 N ATOM 1080 CA GLY A 66 -17.498 -6.336 2.527 1.00 0.00 C ATOM 1081 C GLY A 66 -16.673 -6.534 1.271 1.00 0.00 C ATOM 1082 O GLY A 66 -16.939 -7.441 0.480 1.00 0.00 O ATOM 0 H GLY A 66 -16.504 -5.379 4.104 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.419 -7.224 3.154 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -18.548 -6.230 2.255 1.00 0.00 H new ATOM 1086 N LYS A 67 -15.669 -5.685 1.083 1.00 0.00 N ATOM 1087 CA LYS A 67 -14.802 -5.770 -0.086 1.00 0.00 C ATOM 1088 C LYS A 67 -13.376 -6.128 0.320 1.00 0.00 C ATOM 1089 O LYS A 67 -12.787 -5.482 1.188 1.00 0.00 O ATOM 1090 CB LYS A 67 -14.809 -4.443 -0.849 1.00 0.00 C ATOM 1091 CG LYS A 67 -16.160 -4.092 -1.446 1.00 0.00 C ATOM 1092 CD LYS A 67 -16.194 -2.657 -1.944 1.00 0.00 C ATOM 1093 CE LYS A 67 -15.715 -2.555 -3.383 1.00 0.00 C ATOM 1094 NZ LYS A 67 -14.231 -2.627 -3.480 1.00 0.00 N ATOM 0 H LYS A 67 -15.435 -4.929 1.726 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.185 -6.557 -0.735 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.501 -3.644 -0.175 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.069 -4.489 -1.648 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -16.381 -4.770 -2.271 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -16.938 -4.237 -0.697 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -17.210 -2.269 -1.869 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.567 -2.034 -1.306 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -16.157 -3.360 -3.971 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -16.062 -1.617 -3.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.869 -1.754 -3.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -13.826 -2.734 -2.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -13.961 -3.443 -4.065 1.00 0.00 H new ATOM 1108 N ILE A 68 -12.826 -7.158 -0.314 1.00 0.00 N ATOM 1109 CA ILE A 68 -11.468 -7.599 -0.020 1.00 0.00 C ATOM 1110 C ILE A 68 -10.443 -6.564 -0.473 1.00 0.00 C ATOM 1111 O ILE A 68 -10.434 -6.152 -1.632 1.00 0.00 O ATOM 1112 CB ILE A 68 -11.154 -8.946 -0.699 1.00 0.00 C ATOM 1113 CG1 ILE A 68 -12.165 -10.009 -0.263 1.00 0.00 C ATOM 1114 CG2 ILE A 68 -9.737 -9.388 -0.366 1.00 0.00 C ATOM 1115 CD1 ILE A 68 -11.901 -10.564 1.118 1.00 0.00 C ATOM 0 H ILE A 68 -13.300 -7.703 -1.035 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.404 -7.722 1.061 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.231 -8.819 -1.779 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -13.166 -9.578 -0.287 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.153 -10.827 -0.983 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -9.529 -10.341 -0.853 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.029 -8.638 -0.720 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.636 -9.502 0.713 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -12.656 -11.312 1.360 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.913 -11.025 1.142 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -11.943 -9.756 1.849 1.00 0.00 H new ATOM 1127 N MET A 69 -9.583 -6.149 0.451 1.00 0.00 N ATOM 1128 CA MET A 69 -8.551 -5.163 0.145 1.00 0.00 C ATOM 1129 C MET A 69 -7.288 -5.842 -0.375 1.00 0.00 C ATOM 1130 O MET A 69 -6.844 -6.850 0.174 1.00 0.00 O ATOM 1131 CB MET A 69 -8.225 -4.334 1.388 1.00 0.00 C ATOM 1132 CG MET A 69 -7.111 -4.924 2.238 1.00 0.00 C ATOM 1133 SD MET A 69 -7.065 -4.231 3.901 1.00 0.00 S ATOM 1134 CE MET A 69 -6.893 -2.486 3.537 1.00 0.00 C ATOM 0 H MET A 69 -9.579 -6.479 1.416 1.00 0.00 H new ATOM 0 HA MET A 69 -8.933 -4.502 -0.633 1.00 0.00 H new ATOM 0 HB2 MET A 69 -7.941 -3.328 1.079 1.00 0.00 H new ATOM 0 HB3 MET A 69 -9.124 -4.239 1.997 1.00 0.00 H new ATOM 0 HG2 MET A 69 -7.242 -6.004 2.302 1.00 0.00 H new ATOM 0 HG3 MET A 69 -6.153 -4.747 1.748 1.00 0.00 H new ATOM 0 HE1 MET A 69 -6.280 -2.013 4.304 1.00 0.00 H new ATOM 0 HE2 MET A 69 -6.417 -2.362 2.564 1.00 0.00 H new ATOM 0 HE3 MET A 69 -7.878 -2.019 3.521 1.00 0.00 H new ATOM 1144 N GLU A 70 -6.713 -5.281 -1.434 1.00 0.00 N ATOM 1145 CA GLU A 70 -5.501 -5.834 -2.027 1.00 0.00 C ATOM 1146 C GLU A 70 -4.331 -4.868 -1.873 1.00 0.00 C ATOM 1147 O GLU A 70 -4.429 -3.693 -2.226 1.00 0.00 O ATOM 1148 CB GLU A 70 -5.728 -6.145 -3.508 1.00 0.00 C ATOM 1149 CG GLU A 70 -4.825 -7.244 -4.045 1.00 0.00 C ATOM 1150 CD GLU A 70 -5.280 -7.766 -5.393 1.00 0.00 C ATOM 1151 OE1 GLU A 70 -4.865 -7.192 -6.421 1.00 0.00 O ATOM 1152 OE2 GLU A 70 -6.051 -8.748 -5.421 1.00 0.00 O ATOM 0 H GLU A 70 -7.067 -4.445 -1.899 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.259 -6.758 -1.502 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.768 -6.437 -3.654 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.567 -5.237 -4.090 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.807 -6.863 -4.132 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.797 -8.067 -3.331 1.00 0.00 H new ATOM 1159 N VAL A 71 -3.222 -5.372 -1.341 1.00 0.00 N ATOM 1160 CA VAL A 71 -2.031 -4.556 -1.138 1.00 0.00 C ATOM 1161 C VAL A 71 -0.860 -5.076 -1.964 1.00 0.00 C ATOM 1162 O VAL A 71 -0.567 -6.272 -1.958 1.00 0.00 O ATOM 1163 CB VAL A 71 -1.621 -4.518 0.346 1.00 0.00 C ATOM 1164 CG1 VAL A 71 -0.659 -3.368 0.606 1.00 0.00 C ATOM 1165 CG2 VAL A 71 -2.850 -4.407 1.235 1.00 0.00 C ATOM 0 H VAL A 71 -3.124 -6.342 -1.043 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.282 -3.546 -1.464 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.109 -5.449 0.587 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.381 -3.358 1.660 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.235 -3.497 -0.004 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.141 -2.425 0.349 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.542 -4.381 2.280 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.392 -3.493 0.994 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.498 -5.267 1.069 1.00 0.00 H new ATOM 1175 N ASP A 72 -0.195 -4.172 -2.675 1.00 0.00 N ATOM 1176 CA ASP A 72 0.945 -4.540 -3.505 1.00 0.00 C ATOM 1177 C ASP A 72 1.847 -3.335 -3.753 1.00 0.00 C ATOM 1178 O ASP A 72 1.370 -2.210 -3.907 1.00 0.00 O ATOM 1179 CB ASP A 72 0.467 -5.118 -4.838 1.00 0.00 C ATOM 1180 CG ASP A 72 1.502 -6.016 -5.485 1.00 0.00 C ATOM 1181 OD1 ASP A 72 1.505 -7.229 -5.189 1.00 0.00 O ATOM 1182 OD2 ASP A 72 2.312 -5.506 -6.287 1.00 0.00 O ATOM 0 H ASP A 72 -0.426 -3.179 -2.693 1.00 0.00 H new ATOM 0 HA ASP A 72 1.520 -5.299 -2.974 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.451 -5.684 -4.677 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.223 -4.302 -5.518 1.00 0.00 H new ATOM 1187 N TYR A 73 3.153 -3.577 -3.789 1.00 0.00 N ATOM 1188 CA TYR A 73 4.122 -2.512 -4.015 1.00 0.00 C ATOM 1189 C TYR A 73 3.576 -1.477 -4.992 1.00 0.00 C ATOM 1190 O TYR A 73 3.144 -1.813 -6.094 1.00 0.00 O ATOM 1191 CB TYR A 73 5.433 -3.092 -4.549 1.00 0.00 C ATOM 1192 CG TYR A 73 5.977 -4.230 -3.715 1.00 0.00 C ATOM 1193 CD1 TYR A 73 6.045 -4.132 -2.330 1.00 0.00 C ATOM 1194 CD2 TYR A 73 6.421 -5.404 -4.310 1.00 0.00 C ATOM 1195 CE1 TYR A 73 6.541 -5.169 -1.564 1.00 0.00 C ATOM 1196 CE2 TYR A 73 6.917 -6.447 -3.552 1.00 0.00 C ATOM 1197 CZ TYR A 73 6.975 -6.324 -2.180 1.00 0.00 C ATOM 1198 OH TYR A 73 7.469 -7.360 -1.420 1.00 0.00 O ATOM 0 H TYR A 73 3.565 -4.502 -3.664 1.00 0.00 H new ATOM 0 HA TYR A 73 4.312 -2.020 -3.061 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.276 -3.443 -5.569 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.179 -2.299 -4.596 1.00 0.00 H new ATOM 0 HD1 TYR A 73 5.704 -3.230 -1.844 1.00 0.00 H new ATOM 0 HD2 TYR A 73 6.378 -5.503 -5.385 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.589 -5.076 -0.489 1.00 0.00 H new ATOM 0 HE2 TYR A 73 7.257 -7.353 -4.031 1.00 0.00 H new ATOM 0 HH TYR A 73 7.731 -8.100 -2.007 1.00 0.00 H new ATOM 1208 N SER A 74 3.600 -0.213 -4.581 1.00 0.00 N ATOM 1209 CA SER A 74 3.105 0.874 -5.417 1.00 0.00 C ATOM 1210 C SER A 74 4.117 1.229 -6.501 1.00 0.00 C ATOM 1211 O SER A 74 4.978 2.087 -6.305 1.00 0.00 O ATOM 1212 CB SER A 74 2.802 2.106 -4.562 1.00 0.00 C ATOM 1213 OG SER A 74 3.973 2.586 -3.927 1.00 0.00 O ATOM 0 H SER A 74 3.958 0.084 -3.673 1.00 0.00 H new ATOM 0 HA SER A 74 2.186 0.540 -5.898 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.376 2.891 -5.187 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.053 1.856 -3.810 1.00 0.00 H new ATOM 0 HG SER A 74 4.727 2.537 -4.551 1.00 0.00 H new ATOM 1219 N VAL A 75 4.006 0.564 -7.647 1.00 0.00 N ATOM 1220 CA VAL A 75 4.910 0.810 -8.763 1.00 0.00 C ATOM 1221 C VAL A 75 4.149 0.877 -10.083 1.00 0.00 C ATOM 1222 O VAL A 75 3.054 0.329 -10.208 1.00 0.00 O ATOM 1223 CB VAL A 75 5.990 -0.285 -8.863 1.00 0.00 C ATOM 1224 CG1 VAL A 75 7.145 0.018 -7.920 1.00 0.00 C ATOM 1225 CG2 VAL A 75 5.392 -1.651 -8.565 1.00 0.00 C ATOM 0 H VAL A 75 3.299 -0.149 -7.826 1.00 0.00 H new ATOM 0 HA VAL A 75 5.391 1.770 -8.574 1.00 0.00 H new ATOM 0 HB VAL A 75 6.377 -0.298 -9.882 1.00 0.00 H new ATOM 0 HG11 VAL A 75 7.898 -0.765 -8.004 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.589 0.978 -8.185 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.777 0.059 -6.895 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.168 -2.412 -8.640 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.977 -1.654 -7.557 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.602 -1.867 -9.284 1.00 0.00 H new ATOM 1235 N SER A 76 4.736 1.554 -11.064 1.00 0.00 N ATOM 1236 CA SER A 76 4.111 1.697 -12.374 1.00 0.00 C ATOM 1237 C SER A 76 5.050 1.222 -13.479 1.00 0.00 C ATOM 1238 O SER A 76 4.818 0.187 -14.105 1.00 0.00 O ATOM 1239 CB SER A 76 3.716 3.155 -12.618 1.00 0.00 C ATOM 1240 OG SER A 76 3.197 3.331 -13.925 1.00 0.00 O ATOM 0 H SER A 76 5.643 2.012 -10.977 1.00 0.00 H new ATOM 0 HA SER A 76 3.215 1.077 -12.391 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.971 3.461 -11.883 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.585 3.799 -12.479 1.00 0.00 H new ATOM 0 HG SER A 76 2.950 4.270 -14.055 1.00 0.00 H new ATOM 1246 N LYS A 77 6.112 1.985 -13.713 1.00 0.00 N ATOM 1247 CA LYS A 77 7.088 1.644 -14.741 1.00 0.00 C ATOM 1248 C LYS A 77 8.277 2.599 -14.701 1.00 0.00 C ATOM 1249 O LYS A 77 8.172 3.755 -15.113 1.00 0.00 O ATOM 1250 CB LYS A 77 6.437 1.681 -16.125 1.00 0.00 C ATOM 1251 CG LYS A 77 7.063 0.718 -17.118 1.00 0.00 C ATOM 1252 CD LYS A 77 6.478 -0.678 -16.986 1.00 0.00 C ATOM 1253 CE LYS A 77 7.062 -1.628 -18.020 1.00 0.00 C ATOM 1254 NZ LYS A 77 6.287 -1.608 -19.292 1.00 0.00 N ATOM 0 H LYS A 77 6.319 2.844 -13.204 1.00 0.00 H new ATOM 0 HA LYS A 77 7.448 0.634 -14.543 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.377 1.448 -16.025 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.505 2.694 -16.522 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.904 1.085 -18.132 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.140 0.679 -16.958 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.674 -1.063 -15.985 1.00 0.00 H new ATOM 0 HD3 LYS A 77 5.395 -0.632 -17.103 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.098 -1.354 -18.221 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.073 -2.641 -17.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.717 -2.268 -19.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.305 -1.894 -19.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.298 -0.647 -19.690 1.00 0.00 H new ATOM 1268 N LYS A 78 9.408 2.108 -14.203 1.00 0.00 N ATOM 1269 CA LYS A 78 10.617 2.918 -14.112 1.00 0.00 C ATOM 1270 C LYS A 78 10.738 3.855 -15.309 1.00 0.00 C ATOM 1271 O LYS A 78 10.489 3.458 -16.448 1.00 0.00 O ATOM 1272 CB LYS A 78 11.852 2.017 -14.030 1.00 0.00 C ATOM 1273 CG LYS A 78 12.097 1.205 -15.289 1.00 0.00 C ATOM 1274 CD LYS A 78 13.234 0.214 -15.102 1.00 0.00 C ATOM 1275 CE LYS A 78 12.780 -1.017 -14.334 1.00 0.00 C ATOM 1276 NZ LYS A 78 11.731 -1.775 -15.071 1.00 0.00 N ATOM 0 H LYS A 78 9.512 1.154 -13.857 1.00 0.00 H new ATOM 0 HA LYS A 78 10.552 3.522 -13.207 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.728 2.633 -13.829 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.740 1.337 -13.185 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.187 0.669 -15.560 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.330 1.876 -16.116 1.00 0.00 H new ATOM 0 HD2 LYS A 78 13.621 -0.086 -16.076 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.053 0.695 -14.568 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.636 -1.667 -14.150 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.394 -0.716 -13.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.711 -2.758 -14.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.804 -1.334 -14.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.945 -1.763 -16.089 1.00 0.00 H new ATOM 1290 N LEU A 79 11.120 5.099 -15.044 1.00 0.00 N ATOM 1291 CA LEU A 79 11.274 6.093 -16.100 1.00 0.00 C ATOM 1292 C LEU A 79 12.206 5.583 -17.195 1.00 0.00 C ATOM 1293 O LEU A 79 13.196 4.907 -16.916 1.00 0.00 O ATOM 1294 CB LEU A 79 11.816 7.402 -15.521 1.00 0.00 C ATOM 1295 CG LEU A 79 12.364 8.408 -16.535 1.00 0.00 C ATOM 1296 CD1 LEU A 79 11.240 9.265 -17.096 1.00 0.00 C ATOM 1297 CD2 LEU A 79 13.435 9.279 -15.894 1.00 0.00 C ATOM 0 H LEU A 79 11.329 5.444 -14.107 1.00 0.00 H new ATOM 0 HA LEU A 79 10.293 6.276 -16.539 1.00 0.00 H new ATOM 0 HB2 LEU A 79 11.018 7.884 -14.956 1.00 0.00 H new ATOM 0 HB3 LEU A 79 12.609 7.162 -14.812 1.00 0.00 H new ATOM 0 HG LEU A 79 12.818 7.857 -17.359 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.648 9.975 -17.816 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.508 8.627 -17.591 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.757 9.809 -16.284 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.814 9.989 -16.629 1.00 0.00 H new ATOM 0 HD22 LEU A 79 13.006 9.822 -15.052 1.00 0.00 H new ATOM 0 HD23 LEU A 79 14.253 8.650 -15.541 1.00 0.00 H new ATOM 1309 N ARG A 80 11.885 5.915 -18.441 1.00 0.00 N ATOM 1310 CA ARG A 80 12.694 5.492 -19.577 1.00 0.00 C ATOM 1311 C ARG A 80 12.722 6.571 -20.657 1.00 0.00 C ATOM 1312 O ARG A 80 11.717 7.234 -20.912 1.00 0.00 O ATOM 1313 CB ARG A 80 12.150 4.187 -20.161 1.00 0.00 C ATOM 1314 CG ARG A 80 12.936 3.681 -21.360 1.00 0.00 C ATOM 1315 CD ARG A 80 12.106 2.732 -22.209 1.00 0.00 C ATOM 1316 NE ARG A 80 10.819 3.313 -22.582 1.00 0.00 N ATOM 1317 CZ ARG A 80 9.876 2.649 -23.241 1.00 0.00 C ATOM 1318 NH1 ARG A 80 10.075 1.387 -23.598 1.00 0.00 N ATOM 1319 NH2 ARG A 80 8.731 3.247 -23.545 1.00 0.00 N ATOM 0 H ARG A 80 11.070 6.476 -18.689 1.00 0.00 H new ATOM 0 HA ARG A 80 13.712 5.328 -19.224 1.00 0.00 H new ATOM 0 HB2 ARG A 80 12.155 3.422 -19.385 1.00 0.00 H new ATOM 0 HB3 ARG A 80 11.111 4.336 -20.455 1.00 0.00 H new ATOM 0 HG2 ARG A 80 13.259 4.526 -21.968 1.00 0.00 H new ATOM 0 HG3 ARG A 80 13.837 3.171 -21.017 1.00 0.00 H new ATOM 0 HD2 ARG A 80 12.661 2.473 -23.110 1.00 0.00 H new ATOM 0 HD3 ARG A 80 11.940 1.806 -21.659 1.00 0.00 H new ATOM 0 HE ARG A 80 10.634 4.282 -22.322 1.00 0.00 H new ATOM 0 HH11 ARG A 80 10.954 0.924 -23.367 1.00 0.00 H new ATOM 0 HH12 ARG A 80 9.349 0.880 -24.104 1.00 0.00 H new ATOM 0 HH21 ARG A 80 8.574 4.217 -23.273 1.00 0.00 H new ATOM 0 HH22 ARG A 80 8.008 2.736 -24.051 1.00 0.00 H new ATOM 1333 N SER A 81 13.880 6.741 -21.286 1.00 0.00 N ATOM 1334 CA SER A 81 14.040 7.742 -22.334 1.00 0.00 C ATOM 1335 C SER A 81 15.098 7.307 -23.344 1.00 0.00 C ATOM 1336 O SER A 81 16.169 6.829 -22.971 1.00 0.00 O ATOM 1337 CB SER A 81 14.425 9.092 -21.725 1.00 0.00 C ATOM 1338 OG SER A 81 15.669 9.011 -21.050 1.00 0.00 O ATOM 0 H SER A 81 14.721 6.199 -21.088 1.00 0.00 H new ATOM 0 HA SER A 81 13.087 7.844 -22.853 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.482 9.846 -22.510 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.651 9.415 -21.029 1.00 0.00 H new ATOM 0 HG SER A 81 15.893 9.887 -20.671 1.00 0.00 H new ATOM 1344 N SER A 82 14.789 7.476 -24.625 1.00 0.00 N ATOM 1345 CA SER A 82 15.711 7.098 -25.690 1.00 0.00 C ATOM 1346 C SER A 82 16.429 8.323 -26.249 1.00 0.00 C ATOM 1347 O SER A 82 17.621 8.516 -26.015 1.00 0.00 O ATOM 1348 CB SER A 82 14.959 6.379 -26.812 1.00 0.00 C ATOM 1349 OG SER A 82 14.297 5.225 -26.325 1.00 0.00 O ATOM 0 H SER A 82 13.907 7.872 -24.951 1.00 0.00 H new ATOM 0 HA SER A 82 16.456 6.423 -25.269 1.00 0.00 H new ATOM 0 HB2 SER A 82 14.232 7.057 -27.260 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.658 6.096 -27.599 1.00 0.00 H new ATOM 0 HG SER A 82 13.823 4.785 -27.061 1.00 0.00 H new ATOM 1355 N GLY A 83 15.693 9.148 -26.987 1.00 0.00 N ATOM 1356 CA GLY A 83 16.276 10.344 -27.567 1.00 0.00 C ATOM 1357 C GLY A 83 15.954 10.489 -29.041 1.00 0.00 C ATOM 1358 O GLY A 83 16.743 10.115 -29.909 1.00 0.00 O ATOM 0 H GLY A 83 14.704 9.010 -27.194 1.00 0.00 H new ATOM 0 HA2 GLY A 83 15.911 11.220 -27.030 1.00 0.00 H new ATOM 0 HA3 GLY A 83 17.358 10.318 -27.435 1.00 0.00 H new ATOM 1362 N PRO A 84 14.771 11.044 -29.340 1.00 0.00 N ATOM 1363 CA PRO A 84 14.320 11.249 -30.721 1.00 0.00 C ATOM 1364 C PRO A 84 15.119 12.332 -31.437 1.00 0.00 C ATOM 1365 O PRO A 84 15.140 13.486 -31.010 1.00 0.00 O ATOM 1366 CB PRO A 84 12.861 11.682 -30.556 1.00 0.00 C ATOM 1367 CG PRO A 84 12.795 12.280 -29.193 1.00 0.00 C ATOM 1368 CD PRO A 84 13.782 11.514 -28.356 1.00 0.00 C ATOM 0 HA PRO A 84 14.448 10.353 -31.329 1.00 0.00 H new ATOM 0 HB2 PRO A 84 12.574 12.405 -31.320 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.183 10.833 -30.649 1.00 0.00 H new ATOM 0 HG2 PRO A 84 13.046 13.340 -29.220 1.00 0.00 H new ATOM 0 HG3 PRO A 84 11.789 12.201 -28.780 1.00 0.00 H new ATOM 0 HD2 PRO A 84 14.241 12.147 -27.596 1.00 0.00 H new ATOM 0 HD3 PRO A 84 13.307 10.683 -27.835 1.00 0.00 H new ATOM 1376 N SER A 85 15.776 11.952 -32.528 1.00 0.00 N ATOM 1377 CA SER A 85 16.580 12.891 -33.303 1.00 0.00 C ATOM 1378 C SER A 85 16.368 12.683 -34.799 1.00 0.00 C ATOM 1379 O SER A 85 16.673 11.620 -35.339 1.00 0.00 O ATOM 1380 CB SER A 85 18.062 12.730 -32.958 1.00 0.00 C ATOM 1381 OG SER A 85 18.806 13.866 -33.363 1.00 0.00 O ATOM 0 H SER A 85 15.768 11.001 -32.896 1.00 0.00 H new ATOM 0 HA SER A 85 16.262 13.902 -33.047 1.00 0.00 H new ATOM 0 HB2 SER A 85 18.175 12.582 -31.884 1.00 0.00 H new ATOM 0 HB3 SER A 85 18.458 11.839 -33.446 1.00 0.00 H new ATOM 0 HG SER A 85 19.749 13.739 -33.130 1.00 0.00 H new ATOM 1387 N SER A 86 15.841 13.707 -35.463 1.00 0.00 N ATOM 1388 CA SER A 86 15.583 13.637 -36.897 1.00 0.00 C ATOM 1389 C SER A 86 15.783 15.000 -37.552 1.00 0.00 C ATOM 1390 O SER A 86 15.209 15.999 -37.120 1.00 0.00 O ATOM 1391 CB SER A 86 14.162 13.136 -37.156 1.00 0.00 C ATOM 1392 OG SER A 86 13.887 13.079 -38.545 1.00 0.00 O ATOM 0 H SER A 86 15.584 14.595 -35.031 1.00 0.00 H new ATOM 0 HA SER A 86 16.293 12.936 -37.336 1.00 0.00 H new ATOM 0 HB2 SER A 86 14.036 12.147 -36.716 1.00 0.00 H new ATOM 0 HB3 SER A 86 13.445 13.796 -36.667 1.00 0.00 H new ATOM 0 HG SER A 86 12.973 12.754 -38.684 1.00 0.00 H new ATOM 1398 N GLY A 87 16.601 15.033 -38.599 1.00 0.00 N ATOM 1399 CA GLY A 87 16.862 16.278 -39.298 1.00 0.00 C ATOM 1400 C GLY A 87 18.257 16.327 -39.891 1.00 0.00 C ATOM 1401 O GLY A 87 18.942 15.308 -39.970 1.00 0.00 O ATOM 0 H GLY A 87 17.088 14.220 -38.976 1.00 0.00 H new ATOM 0 HA2 GLY A 87 16.128 16.406 -40.093 1.00 0.00 H new ATOM 0 HA3 GLY A 87 16.734 17.112 -38.608 1.00 0.00 H new TER 1405 GLY A 87