USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 728 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 Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.45 X(o=-0.45,f=-0.021) USER MOD Single : A 30 TYR OH : rot 180:sc= -1.3 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -3.66! C(o=-3.7!,f=-6.2!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 1:sc= -0.0563 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 167:sc= 1.26 (180deg=1.17) USER MOD Single : A 45 LYS NZ :NH3+ 167:sc= 0.472 (180deg=0.4) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -4:sc= 0.154 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 30:sc= -0.925 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot -130:sc= 0.0953 USER MOD Single : A 68 SER OG : rot 177:sc= -2.55! USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= -0.0134 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 24:sc= 0.192 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 27 N GLU A 3 -7.656 -6.002 -15.794 1.00 0.00 N ATOM 28 CA GLU A 3 -6.390 -5.309 -15.965 1.00 0.00 C ATOM 29 C GLU A 3 -5.860 -4.843 -14.602 1.00 0.00 C ATOM 30 O GLU A 3 -6.528 -4.975 -13.575 1.00 0.00 O ATOM 31 CB GLU A 3 -6.495 -4.144 -16.972 1.00 0.00 C ATOM 32 CG GLU A 3 -5.329 -4.095 -17.975 1.00 0.00 C ATOM 33 CD GLU A 3 -5.693 -4.739 -19.314 1.00 0.00 C ATOM 34 OE1 GLU A 3 -6.332 -5.813 -19.277 1.00 0.00 O ATOM 35 OE2 GLU A 3 -5.326 -4.142 -20.348 1.00 0.00 O ATOM 0 HA GLU A 3 -5.673 -6.011 -16.391 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -7.433 -4.231 -17.521 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.533 -3.202 -16.424 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.037 -3.058 -18.140 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -4.465 -4.606 -17.551 1.00 0.00 H new ATOM 42 N TRP A 4 -4.641 -4.307 -14.615 1.00 0.00 N ATOM 43 CA TRP A 4 -3.997 -3.708 -13.459 1.00 0.00 C ATOM 44 C TRP A 4 -4.157 -2.190 -13.553 1.00 0.00 C ATOM 45 O TRP A 4 -4.399 -1.659 -14.637 1.00 0.00 O ATOM 46 CB TRP A 4 -2.524 -4.138 -13.383 1.00 0.00 C ATOM 47 CG TRP A 4 -2.256 -5.614 -13.290 1.00 0.00 C ATOM 48 CD1 TRP A 4 -2.588 -6.550 -14.209 1.00 0.00 C ATOM 49 CD2 TRP A 4 -1.579 -6.342 -12.223 1.00 0.00 C ATOM 50 NE1 TRP A 4 -2.198 -7.798 -13.770 1.00 0.00 N ATOM 51 CE2 TRP A 4 -1.562 -7.729 -12.549 1.00 0.00 C ATOM 52 CE3 TRP A 4 -1.001 -5.968 -10.994 1.00 0.00 C ATOM 53 CZ2 TRP A 4 -0.991 -8.694 -11.706 1.00 0.00 C ATOM 54 CZ3 TRP A 4 -0.394 -6.920 -10.155 1.00 0.00 C ATOM 55 CH2 TRP A 4 -0.394 -8.283 -10.505 1.00 0.00 C ATOM 0 H TRP A 4 -4.063 -4.279 -15.455 1.00 0.00 H new ATOM 0 HA TRP A 4 -4.466 -4.051 -12.537 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -2.011 -3.754 -14.265 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -2.073 -3.655 -12.516 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -3.085 -6.350 -15.147 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -2.360 -8.664 -14.284 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -1.024 -4.932 -10.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -1.011 -9.739 -11.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 0.075 -6.603 -9.236 1.00 0.00 H new ATOM 0 HH2 TRP A 4 0.064 -9.010 -9.851 1.00 0.00 H new ATOM 66 N GLU A 5 -4.044 -1.501 -12.419 1.00 0.00 N ATOM 67 CA GLU A 5 -4.216 -0.066 -12.288 1.00 0.00 C ATOM 68 C GLU A 5 -3.084 0.497 -11.442 1.00 0.00 C ATOM 69 O GLU A 5 -2.416 -0.212 -10.685 1.00 0.00 O ATOM 70 CB GLU A 5 -5.549 0.240 -11.600 1.00 0.00 C ATOM 71 CG GLU A 5 -6.757 0.230 -12.545 1.00 0.00 C ATOM 72 CD GLU A 5 -7.161 1.651 -12.924 1.00 0.00 C ATOM 73 OE1 GLU A 5 -6.296 2.353 -13.493 1.00 0.00 O ATOM 74 OE2 GLU A 5 -8.311 2.021 -12.604 1.00 0.00 O ATOM 0 H GLU A 5 -3.820 -1.952 -11.532 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.207 0.388 -13.279 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.714 -0.491 -10.809 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.483 1.217 -11.122 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.516 -0.336 -13.445 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.595 -0.275 -12.065 1.00 0.00 H new ATOM 81 N ILE A 6 -2.915 1.808 -11.570 1.00 0.00 N ATOM 82 CA ILE A 6 -1.906 2.559 -10.858 1.00 0.00 C ATOM 83 C ILE A 6 -2.264 2.649 -9.377 1.00 0.00 C ATOM 84 O ILE A 6 -3.431 2.779 -9.011 1.00 0.00 O ATOM 85 CB ILE A 6 -1.711 3.949 -11.488 1.00 0.00 C ATOM 86 CG1 ILE A 6 -3.017 4.762 -11.604 1.00 0.00 C ATOM 87 CG2 ILE A 6 -1.067 3.812 -12.873 1.00 0.00 C ATOM 88 CD1 ILE A 6 -2.839 6.166 -11.024 1.00 0.00 C ATOM 0 H ILE A 6 -3.490 2.383 -12.185 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.953 2.036 -10.939 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.056 4.501 -10.814 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.315 4.831 -12.650 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.820 4.246 -11.077 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.933 4.801 -13.311 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.098 3.323 -12.777 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.712 3.214 -13.517 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.773 6.719 -11.118 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.564 6.093 -9.972 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.052 6.688 -11.569 1.00 0.00 H new ATOM 100 N ILE A 7 -1.240 2.574 -8.530 1.00 0.00 N ATOM 101 CA ILE A 7 -1.385 2.723 -7.093 1.00 0.00 C ATOM 102 C ILE A 7 -1.616 4.202 -6.746 1.00 0.00 C ATOM 103 O ILE A 7 -2.408 4.524 -5.869 1.00 0.00 O ATOM 104 CB ILE A 7 -0.160 2.060 -6.436 1.00 0.00 C ATOM 105 CG1 ILE A 7 -0.336 1.675 -4.962 1.00 0.00 C ATOM 106 CG2 ILE A 7 1.135 2.840 -6.667 1.00 0.00 C ATOM 107 CD1 ILE A 7 -0.257 2.839 -3.980 1.00 0.00 C ATOM 0 H ILE A 7 -0.279 2.406 -8.830 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.264 2.216 -6.695 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.073 1.110 -6.964 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.301 1.183 -4.843 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.429 0.944 -4.699 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.962 2.324 -6.180 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.331 2.911 -7.737 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.036 3.842 -6.249 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.393 2.468 -2.964 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.718 3.320 -4.063 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.039 3.563 -4.210 1.00 0.00 H new ATOM 119 N ASP A 8 -0.960 5.126 -7.457 1.00 0.00 N ATOM 120 CA ASP A 8 -1.020 6.556 -7.154 1.00 0.00 C ATOM 121 C ASP A 8 -0.419 6.842 -5.776 1.00 0.00 C ATOM 122 O ASP A 8 0.143 5.954 -5.133 1.00 0.00 O ATOM 123 CB ASP A 8 -2.466 7.096 -7.290 1.00 0.00 C ATOM 124 CG ASP A 8 -2.612 8.382 -8.107 1.00 0.00 C ATOM 125 OD1 ASP A 8 -1.634 8.781 -8.776 1.00 0.00 O ATOM 126 OD2 ASP A 8 -3.725 8.947 -8.057 1.00 0.00 O ATOM 0 H ASP A 8 -0.372 4.900 -8.260 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.416 7.091 -7.887 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.083 6.323 -7.748 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.865 7.273 -6.291 1.00 0.00 H new ATOM 131 N ILE A 9 -0.511 8.094 -5.329 1.00 0.00 N ATOM 132 CA ILE A 9 0.029 8.537 -4.052 1.00 0.00 C ATOM 133 C ILE A 9 -1.135 9.093 -3.233 1.00 0.00 C ATOM 134 O ILE A 9 -2.219 9.327 -3.765 1.00 0.00 O ATOM 135 CB ILE A 9 1.152 9.573 -4.275 1.00 0.00 C ATOM 136 CG1 ILE A 9 2.292 9.064 -5.179 1.00 0.00 C ATOM 137 CG2 ILE A 9 1.760 10.065 -2.954 1.00 0.00 C ATOM 138 CD1 ILE A 9 2.965 7.777 -4.682 1.00 0.00 C ATOM 0 H ILE A 9 -0.971 8.837 -5.855 1.00 0.00 H new ATOM 0 HA ILE A 9 0.486 7.713 -3.504 1.00 0.00 H new ATOM 0 HB ILE A 9 0.656 10.400 -4.783 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.896 8.890 -6.180 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.047 9.845 -5.266 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.545 10.792 -3.163 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.984 10.533 -2.348 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.183 9.220 -2.411 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.755 7.488 -5.375 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.394 7.948 -3.695 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.225 6.979 -4.623 1.00 0.00 H new ATOM 150 N GLY A 10 -0.911 9.287 -1.934 1.00 0.00 N ATOM 151 CA GLY A 10 -1.902 9.820 -1.013 1.00 0.00 C ATOM 152 C GLY A 10 -2.596 8.670 -0.281 1.00 0.00 C ATOM 153 O GLY A 10 -1.896 7.762 0.179 1.00 0.00 O ATOM 0 H GLY A 10 -0.019 9.073 -1.489 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.424 10.486 -0.294 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.637 10.413 -1.557 1.00 0.00 H new ATOM 157 N PRO A 11 -3.937 8.680 -0.154 1.00 0.00 N ATOM 158 CA PRO A 11 -4.683 7.692 0.615 1.00 0.00 C ATOM 159 C PRO A 11 -4.769 6.376 -0.161 1.00 0.00 C ATOM 160 O PRO A 11 -5.839 5.951 -0.590 1.00 0.00 O ATOM 161 CB PRO A 11 -6.053 8.329 0.872 1.00 0.00 C ATOM 162 CG PRO A 11 -6.255 9.256 -0.327 1.00 0.00 C ATOM 163 CD PRO A 11 -4.836 9.682 -0.711 1.00 0.00 C ATOM 0 HA PRO A 11 -4.205 7.437 1.561 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.839 7.576 0.933 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.067 8.881 1.812 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.753 8.742 -1.149 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.873 10.115 -0.067 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.728 9.740 -1.794 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.607 10.671 -0.314 1.00 0.00 H new ATOM 171 N PHE A 12 -3.614 5.743 -0.367 1.00 0.00 N ATOM 172 CA PHE A 12 -3.473 4.536 -1.148 1.00 0.00 C ATOM 173 C PHE A 12 -2.157 3.877 -0.721 1.00 0.00 C ATOM 174 O PHE A 12 -2.173 2.907 0.040 1.00 0.00 O ATOM 175 CB PHE A 12 -3.571 4.904 -2.639 1.00 0.00 C ATOM 176 CG PHE A 12 -4.141 3.828 -3.537 1.00 0.00 C ATOM 177 CD1 PHE A 12 -3.628 2.522 -3.482 1.00 0.00 C ATOM 178 CD2 PHE A 12 -5.038 4.183 -4.565 1.00 0.00 C ATOM 179 CE1 PHE A 12 -3.963 1.602 -4.482 1.00 0.00 C ATOM 180 CE2 PHE A 12 -5.400 3.244 -5.545 1.00 0.00 C ATOM 181 CZ PHE A 12 -4.863 1.949 -5.501 1.00 0.00 C ATOM 0 H PHE A 12 -2.731 6.074 0.021 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.264 3.805 -0.978 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.187 5.798 -2.735 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.575 5.163 -2.998 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.978 2.229 -2.671 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.449 5.181 -4.599 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.524 0.615 -4.469 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.089 3.518 -6.330 1.00 0.00 H new ATOM 0 HZ PHE A 12 -5.141 1.221 -6.249 1.00 0.00 H new ATOM 191 N THR A 13 -1.012 4.450 -1.126 1.00 0.00 N ATOM 192 CA THR A 13 0.290 3.946 -0.705 1.00 0.00 C ATOM 193 C THR A 13 0.394 4.049 0.810 1.00 0.00 C ATOM 194 O THR A 13 0.762 3.082 1.472 1.00 0.00 O ATOM 195 CB THR A 13 1.448 4.646 -1.452 1.00 0.00 C ATOM 196 OG1 THR A 13 2.624 3.865 -1.369 1.00 0.00 O ATOM 197 CG2 THR A 13 1.766 6.068 -0.981 1.00 0.00 C ATOM 0 H THR A 13 -0.969 5.261 -1.743 1.00 0.00 H new ATOM 0 HA THR A 13 0.381 2.894 -0.976 1.00 0.00 H new ATOM 0 HB THR A 13 1.097 4.739 -2.480 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.351 4.316 -1.847 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.592 6.469 -1.568 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.887 6.700 -1.112 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.045 6.048 0.072 1.00 0.00 H new ATOM 205 N GLN A 14 0.035 5.210 1.368 1.00 0.00 N ATOM 206 CA GLN A 14 0.132 5.411 2.797 1.00 0.00 C ATOM 207 C GLN A 14 -0.862 4.512 3.524 1.00 0.00 C ATOM 208 O GLN A 14 -0.507 3.928 4.538 1.00 0.00 O ATOM 209 CB GLN A 14 -0.070 6.887 3.160 1.00 0.00 C ATOM 210 CG GLN A 14 1.235 7.577 3.590 1.00 0.00 C ATOM 211 CD GLN A 14 1.952 8.234 2.417 1.00 0.00 C ATOM 212 OE1 GLN A 14 2.945 7.723 1.911 1.00 0.00 O ATOM 213 NE2 GLN A 14 1.454 9.390 1.985 1.00 0.00 N ATOM 0 H GLN A 14 -0.321 6.012 0.848 1.00 0.00 H new ATOM 0 HA GLN A 14 1.136 5.135 3.121 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.489 7.414 2.303 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.799 6.962 3.967 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.014 8.330 4.346 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.896 6.844 4.053 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.626 9.786 2.429 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.900 9.880 1.209 1.00 0.00 H new ATOM 222 N ASN A 15 -2.092 4.396 3.016 1.00 0.00 N ATOM 223 CA ASN A 15 -3.116 3.538 3.610 1.00 0.00 C ATOM 224 C ASN A 15 -2.561 2.136 3.841 1.00 0.00 C ATOM 225 O ASN A 15 -2.524 1.639 4.967 1.00 0.00 O ATOM 226 CB ASN A 15 -4.367 3.482 2.713 1.00 0.00 C ATOM 227 CG ASN A 15 -5.542 4.213 3.349 1.00 0.00 C ATOM 228 OD1 ASN A 15 -5.622 5.435 3.281 1.00 0.00 O ATOM 229 ND2 ASN A 15 -6.455 3.478 3.978 1.00 0.00 N ATOM 0 H ASN A 15 -2.404 4.894 2.182 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.406 3.961 4.572 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.142 3.927 1.744 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.639 2.442 2.531 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -7.254 3.929 4.424 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -6.356 2.463 4.015 1.00 0.00 H new ATOM 236 N LEU A 16 -2.115 1.503 2.757 1.00 0.00 N ATOM 237 CA LEU A 16 -1.561 0.161 2.817 1.00 0.00 C ATOM 238 C LEU A 16 -0.282 0.134 3.648 1.00 0.00 C ATOM 239 O LEU A 16 -0.134 -0.754 4.483 1.00 0.00 O ATOM 240 CB LEU A 16 -1.352 -0.367 1.398 1.00 0.00 C ATOM 241 CG LEU A 16 -2.694 -0.551 0.669 1.00 0.00 C ATOM 242 CD1 LEU A 16 -2.423 -1.035 -0.748 1.00 0.00 C ATOM 243 CD2 LEU A 16 -3.616 -1.535 1.399 1.00 0.00 C ATOM 0 H LEU A 16 -2.129 1.907 1.821 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.264 -0.503 3.320 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.723 0.326 0.838 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.822 -1.319 1.436 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.208 0.410 0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.368 -1.169 -1.274 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.816 -0.298 -1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.890 -1.985 -0.712 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.552 -1.634 0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.130 -2.508 1.466 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.823 -1.163 2.403 1.00 0.00 H new ATOM 255 N ALA A 17 0.632 1.086 3.451 1.00 0.00 N ATOM 256 CA ALA A 17 1.866 1.149 4.221 1.00 0.00 C ATOM 257 C ALA A 17 1.583 1.171 5.724 1.00 0.00 C ATOM 258 O ALA A 17 2.215 0.435 6.483 1.00 0.00 O ATOM 259 CB ALA A 17 2.668 2.382 3.805 1.00 0.00 C ATOM 0 H ALA A 17 0.535 1.828 2.758 1.00 0.00 H new ATOM 0 HA ALA A 17 2.451 0.253 4.012 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.591 2.427 4.383 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.907 2.320 2.743 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.079 3.280 3.992 1.00 0.00 H new ATOM 265 N LYS A 18 0.631 2.004 6.159 1.00 0.00 N ATOM 266 CA LYS A 18 0.260 2.068 7.557 1.00 0.00 C ATOM 267 C LYS A 18 -0.363 0.748 7.960 1.00 0.00 C ATOM 268 O LYS A 18 0.097 0.155 8.926 1.00 0.00 O ATOM 269 CB LYS A 18 -0.698 3.231 7.862 1.00 0.00 C ATOM 270 CG LYS A 18 -0.052 4.298 8.752 1.00 0.00 C ATOM 271 CD LYS A 18 0.408 3.730 10.106 1.00 0.00 C ATOM 272 CE LYS A 18 0.618 4.872 11.107 1.00 0.00 C ATOM 273 NZ LYS A 18 1.661 4.543 12.095 1.00 0.00 N ATOM 0 H LYS A 18 0.110 2.639 5.555 1.00 0.00 H new ATOM 0 HA LYS A 18 1.163 2.253 8.138 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.021 3.688 6.926 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.591 2.844 8.352 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.803 4.731 8.233 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.764 5.105 8.922 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.336 3.032 10.489 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.335 3.171 9.980 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.897 5.779 10.571 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.319 5.082 11.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.776 5.338 12.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.383 3.691 12.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.561 4.368 11.604 1.00 0.00 H new ATOM 287 N PHE A 19 -1.387 0.294 7.226 1.00 0.00 N ATOM 288 CA PHE A 19 -2.057 -0.976 7.485 1.00 0.00 C ATOM 289 C PHE A 19 -1.025 -2.069 7.750 1.00 0.00 C ATOM 290 O PHE A 19 -1.153 -2.810 8.720 1.00 0.00 O ATOM 291 CB PHE A 19 -2.968 -1.341 6.307 1.00 0.00 C ATOM 292 CG PHE A 19 -3.836 -2.572 6.509 1.00 0.00 C ATOM 293 CD1 PHE A 19 -4.761 -2.627 7.570 1.00 0.00 C ATOM 294 CD2 PHE A 19 -3.742 -3.654 5.613 1.00 0.00 C ATOM 295 CE1 PHE A 19 -5.534 -3.786 7.774 1.00 0.00 C ATOM 296 CE2 PHE A 19 -4.517 -4.809 5.818 1.00 0.00 C ATOM 297 CZ PHE A 19 -5.376 -4.893 6.922 1.00 0.00 C ATOM 0 H PHE A 19 -1.772 0.805 6.432 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.680 -0.880 8.374 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.617 -0.491 6.095 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.347 -1.496 5.425 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.877 -1.779 8.228 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.073 -3.597 4.767 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.247 -3.825 8.584 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.450 -5.633 5.123 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.916 -5.807 7.118 1.00 0.00 H new ATOM 307 N ALA A 20 0.026 -2.113 6.924 1.00 0.00 N ATOM 308 CA ALA A 20 1.153 -3.013 7.113 1.00 0.00 C ATOM 309 C ALA A 20 1.645 -2.989 8.552 1.00 0.00 C ATOM 310 O ALA A 20 1.477 -3.965 9.280 1.00 0.00 O ATOM 311 CB ALA A 20 2.306 -2.722 6.138 1.00 0.00 C ATOM 0 H ALA A 20 0.112 -1.517 6.101 1.00 0.00 H new ATOM 0 HA ALA A 20 0.789 -4.016 6.891 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.122 -3.421 6.321 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.953 -2.836 5.113 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.661 -1.703 6.288 1.00 0.00 H new ATOM 317 N VAL A 21 2.266 -1.875 8.938 1.00 0.00 N ATOM 318 CA VAL A 21 2.961 -1.740 10.207 1.00 0.00 C ATOM 319 C VAL A 21 1.943 -1.861 11.341 1.00 0.00 C ATOM 320 O VAL A 21 2.140 -2.621 12.279 1.00 0.00 O ATOM 321 CB VAL A 21 3.687 -0.385 10.249 1.00 0.00 C ATOM 322 CG1 VAL A 21 4.440 -0.192 11.572 1.00 0.00 C ATOM 323 CG2 VAL A 21 4.726 -0.255 9.130 1.00 0.00 C ATOM 0 H VAL A 21 2.298 -1.031 8.366 1.00 0.00 H new ATOM 0 HA VAL A 21 3.707 -2.527 10.323 1.00 0.00 H new ATOM 0 HB VAL A 21 2.906 0.367 10.132 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.941 0.776 11.567 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.734 -0.231 12.402 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.180 -0.984 11.688 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.214 0.717 9.198 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.472 -1.043 9.232 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.232 -0.346 8.163 1.00 0.00 H new ATOM 333 N ASP A 22 0.851 -1.103 11.243 1.00 0.00 N ATOM 334 CA ASP A 22 -0.245 -1.069 12.196 1.00 0.00 C ATOM 335 C ASP A 22 -0.729 -2.478 12.522 1.00 0.00 C ATOM 336 O ASP A 22 -0.638 -2.919 13.665 1.00 0.00 O ATOM 337 CB ASP A 22 -1.391 -0.226 11.611 1.00 0.00 C ATOM 338 CG ASP A 22 -2.699 -0.394 12.377 1.00 0.00 C ATOM 339 OD1 ASP A 22 -2.690 -0.108 13.592 1.00 0.00 O ATOM 340 OD2 ASP A 22 -3.684 -0.808 11.726 1.00 0.00 O ATOM 0 H ASP A 22 0.705 -0.468 10.458 1.00 0.00 H new ATOM 0 HA ASP A 22 0.103 -0.618 13.125 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.103 0.825 11.619 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.547 -0.506 10.569 1.00 0.00 H new ATOM 345 N GLU A 23 -1.260 -3.176 11.518 1.00 0.00 N ATOM 346 CA GLU A 23 -1.863 -4.482 11.717 1.00 0.00 C ATOM 347 C GLU A 23 -0.786 -5.469 12.175 1.00 0.00 C ATOM 348 O GLU A 23 -0.970 -6.185 13.162 1.00 0.00 O ATOM 349 CB GLU A 23 -2.606 -4.899 10.439 1.00 0.00 C ATOM 350 CG GLU A 23 -3.957 -5.571 10.704 1.00 0.00 C ATOM 351 CD GLU A 23 -3.895 -7.038 11.121 1.00 0.00 C ATOM 352 OE1 GLU A 23 -2.796 -7.495 11.494 1.00 0.00 O ATOM 353 OE2 GLU A 23 -4.959 -7.688 11.039 1.00 0.00 O ATOM 0 H GLU A 23 -1.282 -2.850 10.552 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.613 -4.462 12.508 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.764 -4.018 9.817 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.976 -5.582 9.869 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.473 -5.012 11.484 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.564 -5.494 9.802 1.00 0.00 H new ATOM 360 N GLU A 24 0.375 -5.442 11.508 1.00 0.00 N ATOM 361 CA GLU A 24 1.547 -6.169 11.966 1.00 0.00 C ATOM 362 C GLU A 24 1.743 -5.986 13.469 1.00 0.00 C ATOM 363 O GLU A 24 1.925 -6.975 14.165 1.00 0.00 O ATOM 364 CB GLU A 24 2.787 -5.740 11.168 1.00 0.00 C ATOM 365 CG GLU A 24 4.117 -6.188 11.780 1.00 0.00 C ATOM 366 CD GLU A 24 4.626 -5.204 12.844 1.00 0.00 C ATOM 367 OE1 GLU A 24 4.860 -4.027 12.492 1.00 0.00 O ATOM 368 OE2 GLU A 24 4.776 -5.641 14.002 1.00 0.00 O ATOM 0 H GLU A 24 0.519 -4.918 10.645 1.00 0.00 H new ATOM 0 HA GLU A 24 1.394 -7.234 11.789 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.712 -6.143 10.158 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.789 -4.654 11.079 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.995 -7.174 12.228 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.863 -6.286 10.992 1.00 0.00 H new ATOM 375 N ASN A 25 1.726 -4.751 13.972 1.00 0.00 N ATOM 376 CA ASN A 25 1.986 -4.469 15.379 1.00 0.00 C ATOM 377 C ASN A 25 0.838 -4.964 16.253 1.00 0.00 C ATOM 378 O ASN A 25 1.068 -5.550 17.307 1.00 0.00 O ATOM 379 CB ASN A 25 2.237 -2.971 15.604 1.00 0.00 C ATOM 380 CG ASN A 25 3.540 -2.742 16.357 1.00 0.00 C ATOM 381 OD1 ASN A 25 3.544 -2.530 17.564 1.00 0.00 O ATOM 382 ND2 ASN A 25 4.663 -2.772 15.643 1.00 0.00 N ATOM 0 H ASN A 25 1.531 -3.920 13.413 1.00 0.00 H new ATOM 0 HA ASN A 25 2.889 -5.007 15.668 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.273 -2.457 14.644 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.408 -2.540 16.166 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.562 -2.616 16.099 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.625 -2.951 14.640 1.00 0.00 H new ATOM 389 N LYS A 26 -0.398 -4.729 15.806 1.00 0.00 N ATOM 390 CA LYS A 26 -1.609 -5.191 16.468 1.00 0.00 C ATOM 391 C LYS A 26 -1.528 -6.698 16.746 1.00 0.00 C ATOM 392 O LYS A 26 -1.996 -7.148 17.791 1.00 0.00 O ATOM 393 CB LYS A 26 -2.827 -4.778 15.622 1.00 0.00 C ATOM 394 CG LYS A 26 -4.188 -5.198 16.198 1.00 0.00 C ATOM 395 CD LYS A 26 -4.651 -6.527 15.584 1.00 0.00 C ATOM 396 CE LYS A 26 -5.935 -7.053 16.240 1.00 0.00 C ATOM 397 NZ LYS A 26 -5.683 -8.298 16.988 1.00 0.00 N ATOM 0 H LYS A 26 -0.583 -4.200 14.954 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.720 -4.721 17.445 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.818 -3.695 15.503 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.722 -5.209 14.626 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.115 -5.298 17.281 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.928 -4.423 15.999 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.820 -6.392 14.516 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.860 -7.270 15.691 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.338 -6.297 16.914 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.690 -7.233 15.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.569 -8.629 17.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.321 -9.026 16.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.980 -8.119 17.734 1.00 0.00 H new ATOM 411 N ILE A 27 -0.951 -7.475 15.820 1.00 0.00 N ATOM 412 CA ILE A 27 -0.757 -8.914 15.997 1.00 0.00 C ATOM 413 C ILE A 27 0.632 -9.237 16.571 1.00 0.00 C ATOM 414 O ILE A 27 0.748 -9.716 17.696 1.00 0.00 O ATOM 415 CB ILE A 27 -1.032 -9.646 14.668 1.00 0.00 C ATOM 416 CG1 ILE A 27 -2.495 -9.412 14.250 1.00 0.00 C ATOM 417 CG2 ILE A 27 -0.752 -11.147 14.818 1.00 0.00 C ATOM 418 CD1 ILE A 27 -2.919 -10.241 13.035 1.00 0.00 C ATOM 0 H ILE A 27 -0.607 -7.120 14.928 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.474 -9.276 16.734 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.371 -9.252 13.896 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.148 -9.651 15.090 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.637 -8.355 14.027 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.951 -11.650 13.872 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.291 -11.296 15.097 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.397 -11.562 15.592 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.961 -10.028 12.794 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.290 -9.985 12.182 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.809 -11.301 13.262 1.00 0.00 H new ATOM 430 N GLY A 28 1.677 -9.054 15.764 1.00 0.00 N ATOM 431 CA GLY A 28 3.065 -9.355 16.083 1.00 0.00 C ATOM 432 C GLY A 28 3.460 -10.770 15.653 1.00 0.00 C ATOM 433 O GLY A 28 4.204 -11.443 16.360 1.00 0.00 O ATOM 0 H GLY A 28 1.569 -8.673 14.824 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.715 -8.632 15.590 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.222 -9.245 17.156 1.00 0.00 H new ATOM 437 N GLN A 29 2.980 -11.228 14.488 1.00 0.00 N ATOM 438 CA GLN A 29 3.293 -12.565 13.983 1.00 0.00 C ATOM 439 C GLN A 29 4.690 -12.587 13.349 1.00 0.00 C ATOM 440 O GLN A 29 5.506 -13.449 13.666 1.00 0.00 O ATOM 441 CB GLN A 29 2.219 -13.027 12.976 1.00 0.00 C ATOM 442 CG GLN A 29 1.711 -14.458 13.226 1.00 0.00 C ATOM 443 CD GLN A 29 0.291 -14.473 13.787 1.00 0.00 C ATOM 444 OE1 GLN A 29 -0.652 -14.838 13.093 1.00 0.00 O ATOM 445 NE2 GLN A 29 0.116 -14.065 15.039 1.00 0.00 N ATOM 0 H GLN A 29 2.370 -10.685 13.877 1.00 0.00 H new ATOM 0 HA GLN A 29 3.292 -13.262 14.821 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.375 -12.339 13.018 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.629 -12.968 11.968 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.738 -15.020 12.292 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.381 -14.964 13.922 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.917 -13.767 15.595 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.820 -14.050 15.444 1.00 0.00 H new ATOM 454 N TYR A 30 4.939 -11.653 12.424 1.00 0.00 N ATOM 455 CA TYR A 30 6.178 -11.541 11.655 1.00 0.00 C ATOM 456 C TYR A 30 6.991 -10.332 12.118 1.00 0.00 C ATOM 457 O TYR A 30 8.193 -10.442 12.343 1.00 0.00 O ATOM 458 CB TYR A 30 5.881 -11.500 10.144 1.00 0.00 C ATOM 459 CG TYR A 30 4.617 -10.762 9.735 1.00 0.00 C ATOM 460 CD1 TYR A 30 3.393 -11.455 9.680 1.00 0.00 C ATOM 461 CD2 TYR A 30 4.653 -9.390 9.424 1.00 0.00 C ATOM 462 CE1 TYR A 30 2.198 -10.756 9.449 1.00 0.00 C ATOM 463 CE2 TYR A 30 3.468 -8.712 9.102 1.00 0.00 C ATOM 464 CZ TYR A 30 2.235 -9.379 9.174 1.00 0.00 C ATOM 465 OH TYR A 30 1.079 -8.681 9.015 1.00 0.00 O ATOM 0 H TYR A 30 4.259 -10.931 12.184 1.00 0.00 H new ATOM 0 HA TYR A 30 6.786 -12.427 11.837 1.00 0.00 H new ATOM 0 HB2 TYR A 30 6.729 -11.036 9.639 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.814 -12.525 9.779 1.00 0.00 H new ATOM 0 HD1 TYR A 30 3.373 -12.526 9.816 1.00 0.00 H new ATOM 0 HD2 TYR A 30 5.593 -8.859 9.433 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.252 -11.276 9.483 1.00 0.00 H new ATOM 0 HE2 TYR A 30 3.504 -7.676 8.798 1.00 0.00 H new ATOM 0 HH TYR A 30 1.287 -7.741 8.832 1.00 0.00 H new ATOM 475 N GLY A 31 6.337 -9.179 12.266 1.00 0.00 N ATOM 476 CA GLY A 31 7.017 -7.945 12.624 1.00 0.00 C ATOM 477 C GLY A 31 7.479 -7.236 11.355 1.00 0.00 C ATOM 478 O GLY A 31 7.813 -7.882 10.366 1.00 0.00 O ATOM 0 H GLY A 31 5.330 -9.080 12.141 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.347 -7.299 13.192 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.872 -8.160 13.265 1.00 0.00 H new ATOM 482 N ARG A 32 7.522 -5.902 11.375 1.00 0.00 N ATOM 483 CA ARG A 32 7.879 -5.085 10.231 1.00 0.00 C ATOM 484 C ARG A 32 9.308 -4.623 10.460 1.00 0.00 C ATOM 485 O ARG A 32 9.638 -3.487 10.129 1.00 0.00 O ATOM 486 CB ARG A 32 6.860 -3.942 10.017 1.00 0.00 C ATOM 487 CG ARG A 32 6.674 -3.503 8.558 1.00 0.00 C ATOM 488 CD ARG A 32 7.421 -2.246 8.083 1.00 0.00 C ATOM 489 NE ARG A 32 6.708 -1.601 6.954 1.00 0.00 N ATOM 490 CZ ARG A 32 6.793 -0.304 6.607 1.00 0.00 C ATOM 491 NH1 ARG A 32 7.743 0.474 7.132 1.00 0.00 N ATOM 492 NH2 ARG A 32 5.910 0.221 5.748 1.00 0.00 N ATOM 0 H ARG A 32 7.304 -5.356 12.208 1.00 0.00 H new ATOM 0 HA ARG A 32 7.838 -5.645 9.297 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.894 -4.258 10.411 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.177 -3.079 10.603 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.975 -4.333 7.918 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.609 -3.342 8.391 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.516 -1.541 8.909 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.432 -2.514 7.775 1.00 0.00 H new ATOM 0 HE ARG A 32 6.099 -2.194 6.390 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.409 0.086 7.800 1.00 0.00 H new ATOM 0 HH12 ARG A 32 7.803 1.457 6.865 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.171 -0.363 5.356 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.976 1.205 5.486 1.00 0.00 H new ATOM 506 N LEU A 33 10.135 -5.559 10.978 1.00 0.00 N ATOM 507 CA LEU A 33 11.576 -5.406 11.183 1.00 0.00 C ATOM 508 C LEU A 33 11.849 -3.965 11.646 1.00 0.00 C ATOM 509 O LEU A 33 11.229 -3.535 12.619 1.00 0.00 O ATOM 510 CB LEU A 33 12.311 -6.038 10.005 1.00 0.00 C ATOM 511 CG LEU A 33 11.755 -5.759 8.607 1.00 0.00 C ATOM 512 CD1 LEU A 33 12.281 -4.376 8.230 1.00 0.00 C ATOM 513 CD2 LEU A 33 12.097 -6.938 7.683 1.00 0.00 C ATOM 0 H LEU A 33 9.794 -6.474 11.273 1.00 0.00 H new ATOM 0 HA LEU A 33 12.014 -5.969 12.007 1.00 0.00 H new ATOM 0 HB2 LEU A 33 13.347 -5.699 10.031 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.325 -7.118 10.155 1.00 0.00 H new ATOM 0 HG LEU A 33 10.669 -5.708 8.531 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.922 -4.108 7.236 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.927 -3.642 8.954 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.371 -4.389 8.230 1.00 0.00 H new ATOM 0 HD21 LEU A 33 11.703 -6.744 6.685 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.179 -7.056 7.629 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.652 -7.851 8.078 1.00 0.00 H new ATOM 525 N THR A 34 12.727 -3.217 10.984 1.00 0.00 N ATOM 526 CA THR A 34 12.860 -1.783 11.200 1.00 0.00 C ATOM 527 C THR A 34 12.121 -1.011 10.093 1.00 0.00 C ATOM 528 O THR A 34 12.207 -1.367 8.916 1.00 0.00 O ATOM 529 CB THR A 34 14.356 -1.456 11.310 1.00 0.00 C ATOM 530 OG1 THR A 34 14.775 -1.688 12.640 1.00 0.00 O ATOM 531 CG2 THR A 34 14.730 -0.030 10.904 1.00 0.00 C ATOM 0 H THR A 34 13.366 -3.590 10.282 1.00 0.00 H new ATOM 0 HA THR A 34 12.389 -1.467 12.131 1.00 0.00 H new ATOM 0 HB THR A 34 14.865 -2.109 10.601 1.00 0.00 H new ATOM 0 HG1 THR A 34 15.730 -1.484 12.722 1.00 0.00 H new ATOM 0 HG21 THR A 34 15.805 0.109 11.014 1.00 0.00 H new ATOM 0 HG22 THR A 34 14.447 0.139 9.865 1.00 0.00 H new ATOM 0 HG23 THR A 34 14.205 0.680 11.543 1.00 0.00 H new ATOM 539 N PHE A 35 11.400 0.051 10.483 1.00 0.00 N ATOM 540 CA PHE A 35 10.722 0.995 9.598 1.00 0.00 C ATOM 541 C PHE A 35 11.597 1.356 8.393 1.00 0.00 C ATOM 542 O PHE A 35 12.504 2.176 8.506 1.00 0.00 O ATOM 543 CB PHE A 35 10.345 2.267 10.369 1.00 0.00 C ATOM 544 CG PHE A 35 9.622 2.037 11.683 1.00 0.00 C ATOM 545 CD1 PHE A 35 8.235 1.799 11.702 1.00 0.00 C ATOM 546 CD2 PHE A 35 10.338 2.094 12.894 1.00 0.00 C ATOM 547 CE1 PHE A 35 7.572 1.625 12.930 1.00 0.00 C ATOM 548 CE2 PHE A 35 9.676 1.894 14.118 1.00 0.00 C ATOM 549 CZ PHE A 35 8.292 1.660 14.136 1.00 0.00 C ATOM 0 H PHE A 35 11.271 0.281 11.468 1.00 0.00 H new ATOM 0 HA PHE A 35 9.816 0.515 9.229 1.00 0.00 H new ATOM 0 HB2 PHE A 35 11.254 2.835 10.568 1.00 0.00 H new ATOM 0 HB3 PHE A 35 9.715 2.886 9.730 1.00 0.00 H new ATOM 0 HD1 PHE A 35 7.681 1.750 10.776 1.00 0.00 H new ATOM 0 HD2 PHE A 35 11.400 2.292 12.883 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.504 1.464 12.946 1.00 0.00 H new ATOM 0 HE2 PHE A 35 10.232 1.920 15.044 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.781 1.507 15.075 1.00 0.00 H new ATOM 559 N ASN A 36 11.326 0.724 7.252 1.00 0.00 N ATOM 560 CA ASN A 36 12.054 0.865 6.012 1.00 0.00 C ATOM 561 C ASN A 36 11.202 1.729 5.085 1.00 0.00 C ATOM 562 O ASN A 36 10.861 2.851 5.452 1.00 0.00 O ATOM 563 CB ASN A 36 12.333 -0.542 5.469 1.00 0.00 C ATOM 564 CG ASN A 36 11.051 -1.367 5.384 1.00 0.00 C ATOM 565 OD1 ASN A 36 10.422 -1.461 4.338 1.00 0.00 O ATOM 566 ND2 ASN A 36 10.645 -1.976 6.494 1.00 0.00 N ATOM 0 H ASN A 36 10.550 0.067 7.174 1.00 0.00 H new ATOM 0 HA ASN A 36 13.020 1.358 6.125 1.00 0.00 H new ATOM 0 HB2 ASN A 36 12.788 -0.469 4.481 1.00 0.00 H new ATOM 0 HB3 ASN A 36 13.051 -1.048 6.114 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.793 -2.536 6.486 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.186 -1.883 7.354 1.00 0.00 H new ATOM 573 N LYS A 37 10.826 1.220 3.911 1.00 0.00 N ATOM 574 CA LYS A 37 10.122 1.940 2.876 1.00 0.00 C ATOM 575 C LYS A 37 9.761 0.912 1.796 1.00 0.00 C ATOM 576 O LYS A 37 10.356 -0.163 1.722 1.00 0.00 O ATOM 577 CB LYS A 37 11.008 3.098 2.375 1.00 0.00 C ATOM 578 CG LYS A 37 10.415 3.838 1.176 1.00 0.00 C ATOM 579 CD LYS A 37 11.054 5.218 0.948 1.00 0.00 C ATOM 580 CE LYS A 37 10.096 6.374 1.291 1.00 0.00 C ATOM 581 NZ LYS A 37 10.153 7.442 0.279 1.00 0.00 N ATOM 0 H LYS A 37 11.017 0.251 3.655 1.00 0.00 H new ATOM 0 HA LYS A 37 9.200 2.406 3.224 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.164 3.806 3.189 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.988 2.705 2.103 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.545 3.231 0.280 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.342 3.960 1.325 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.954 5.303 1.557 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.364 5.304 -0.093 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.077 5.994 1.363 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.353 6.783 2.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.496 8.204 0.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.120 7.821 0.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.883 7.056 -0.648 1.00 0.00 H new ATOM 595 N VAL A 38 8.760 1.223 0.980 1.00 0.00 N ATOM 596 CA VAL A 38 8.377 0.440 -0.183 1.00 0.00 C ATOM 597 C VAL A 38 9.149 0.985 -1.389 1.00 0.00 C ATOM 598 O VAL A 38 9.376 2.190 -1.453 1.00 0.00 O ATOM 599 CB VAL A 38 6.841 0.508 -0.317 1.00 0.00 C ATOM 600 CG1 VAL A 38 6.322 1.952 -0.344 1.00 0.00 C ATOM 601 CG2 VAL A 38 6.307 -0.275 -1.519 1.00 0.00 C ATOM 0 H VAL A 38 8.178 2.050 1.115 1.00 0.00 H new ATOM 0 HA VAL A 38 8.633 -0.616 -0.100 1.00 0.00 H new ATOM 0 HB VAL A 38 6.455 0.025 0.581 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.236 1.947 -0.439 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.603 2.457 0.580 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.758 2.480 -1.192 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.221 -0.187 -1.557 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.736 0.129 -2.436 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.583 -1.325 -1.421 1.00 0.00 H new ATOM 611 N ILE A 39 9.573 0.123 -2.324 1.00 0.00 N ATOM 612 CA ILE A 39 10.303 0.558 -3.522 1.00 0.00 C ATOM 613 C ILE A 39 9.667 1.801 -4.163 1.00 0.00 C ATOM 614 O ILE A 39 10.327 2.831 -4.290 1.00 0.00 O ATOM 615 CB ILE A 39 10.436 -0.580 -4.554 1.00 0.00 C ATOM 616 CG1 ILE A 39 9.166 -1.443 -4.683 1.00 0.00 C ATOM 617 CG2 ILE A 39 11.641 -1.474 -4.224 1.00 0.00 C ATOM 618 CD1 ILE A 39 8.692 -1.585 -6.130 1.00 0.00 C ATOM 0 H ILE A 39 9.422 -0.884 -2.272 1.00 0.00 H new ATOM 0 HA ILE A 39 11.305 0.832 -3.193 1.00 0.00 H new ATOM 0 HB ILE A 39 10.588 -0.094 -5.518 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.361 -2.433 -4.270 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.369 -1.000 -4.086 1.00 0.00 H new ATOM 0 HG21 ILE A 39 11.717 -2.270 -4.964 1.00 0.00 H new ATOM 0 HG22 ILE A 39 12.552 -0.876 -4.239 1.00 0.00 H new ATOM 0 HG23 ILE A 39 11.510 -1.910 -3.234 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.794 -2.203 -6.160 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.468 -0.599 -6.538 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.475 -2.054 -6.725 1.00 0.00 H new ATOM 630 N ARG A 40 8.382 1.695 -4.525 1.00 0.00 N ATOM 631 CA ARG A 40 7.570 2.731 -5.150 1.00 0.00 C ATOM 632 C ARG A 40 8.040 3.057 -6.588 1.00 0.00 C ATOM 633 O ARG A 40 9.238 3.084 -6.859 1.00 0.00 O ATOM 634 CB ARG A 40 7.466 3.990 -4.258 1.00 0.00 C ATOM 635 CG ARG A 40 6.065 4.146 -3.646 1.00 0.00 C ATOM 636 CD ARG A 40 5.925 5.452 -2.850 1.00 0.00 C ATOM 637 NE ARG A 40 6.196 5.256 -1.421 1.00 0.00 N ATOM 638 CZ ARG A 40 6.191 6.230 -0.501 1.00 0.00 C ATOM 639 NH1 ARG A 40 6.086 7.510 -0.873 1.00 0.00 N ATOM 640 NH2 ARG A 40 6.278 5.914 0.795 1.00 0.00 N ATOM 0 H ARG A 40 7.857 0.833 -4.379 1.00 0.00 H new ATOM 0 HA ARG A 40 6.560 2.332 -5.247 1.00 0.00 H new ATOM 0 HB2 ARG A 40 8.206 3.931 -3.460 1.00 0.00 H new ATOM 0 HB3 ARG A 40 7.704 4.874 -4.849 1.00 0.00 H new ATOM 0 HG2 ARG A 40 5.318 4.124 -4.440 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.859 3.299 -2.991 1.00 0.00 H new ATOM 0 HD2 ARG A 40 6.613 6.196 -3.251 1.00 0.00 H new ATOM 0 HD3 ARG A 40 4.917 5.848 -2.977 1.00 0.00 H new ATOM 0 HE ARG A 40 6.403 4.309 -1.105 1.00 0.00 H new ATOM 0 HH11 ARG A 40 6.009 7.749 -1.862 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.083 8.247 -0.168 1.00 0.00 H new ATOM 0 HH21 ARG A 40 6.348 4.937 1.078 1.00 0.00 H new ATOM 0 HH22 ARG A 40 6.275 6.650 1.501 1.00 0.00 H new ATOM 654 N PRO A 41 7.122 3.323 -7.535 1.00 0.00 N ATOM 655 CA PRO A 41 5.688 3.129 -7.419 1.00 0.00 C ATOM 656 C PRO A 41 5.380 1.628 -7.423 1.00 0.00 C ATOM 657 O PRO A 41 6.285 0.796 -7.464 1.00 0.00 O ATOM 658 CB PRO A 41 5.072 3.888 -8.595 1.00 0.00 C ATOM 659 CG PRO A 41 6.163 3.869 -9.666 1.00 0.00 C ATOM 660 CD PRO A 41 7.476 3.715 -8.890 1.00 0.00 C ATOM 0 HA PRO A 41 5.268 3.511 -6.488 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.160 3.405 -8.947 1.00 0.00 H new ATOM 0 HB3 PRO A 41 4.806 4.907 -8.316 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.017 3.044 -10.363 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.156 4.788 -10.253 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.114 2.963 -9.355 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.035 4.651 -8.888 1.00 0.00 H new ATOM 668 N CYS A 42 4.098 1.287 -7.319 1.00 0.00 N ATOM 669 CA CYS A 42 3.607 -0.075 -7.152 1.00 0.00 C ATOM 670 C CYS A 42 2.366 -0.211 -8.034 1.00 0.00 C ATOM 671 O CYS A 42 2.025 0.745 -8.736 1.00 0.00 O ATOM 672 CB CYS A 42 3.351 -0.359 -5.665 1.00 0.00 C ATOM 673 SG CYS A 42 4.931 -0.363 -4.771 1.00 0.00 S ATOM 0 H CYS A 42 3.347 1.977 -7.350 1.00 0.00 H new ATOM 0 HA CYS A 42 4.334 -0.824 -7.466 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.687 0.398 -5.248 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.852 -1.321 -5.548 1.00 0.00 H new ATOM 0 HG CYS A 42 5.900 -0.110 -5.600 1.00 0.00 H new ATOM 679 N MET A 43 1.697 -1.368 -8.052 1.00 0.00 N ATOM 680 CA MET A 43 0.668 -1.622 -9.053 1.00 0.00 C ATOM 681 C MET A 43 -0.425 -2.504 -8.459 1.00 0.00 C ATOM 682 O MET A 43 -0.131 -3.519 -7.828 1.00 0.00 O ATOM 683 CB MET A 43 1.342 -2.259 -10.276 1.00 0.00 C ATOM 684 CG MET A 43 0.429 -2.322 -11.508 1.00 0.00 C ATOM 685 SD MET A 43 1.223 -1.835 -13.062 1.00 0.00 S ATOM 686 CE MET A 43 1.302 -0.045 -12.812 1.00 0.00 C ATOM 0 H MET A 43 1.850 -2.131 -7.393 1.00 0.00 H new ATOM 0 HA MET A 43 0.185 -0.697 -9.368 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.238 -1.691 -10.525 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.665 -3.268 -10.020 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.051 -3.339 -11.612 1.00 0.00 H new ATOM 0 HG3 MET A 43 -0.433 -1.677 -11.338 1.00 0.00 H new ATOM 0 HE1 MET A 43 1.767 0.423 -13.679 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.294 0.349 -12.683 1.00 0.00 H new ATOM 0 HE3 MET A 43 1.893 0.172 -11.922 1.00 0.00 H new ATOM 696 N LYS A 44 -1.686 -2.106 -8.632 1.00 0.00 N ATOM 697 CA LYS A 44 -2.806 -2.847 -8.091 1.00 0.00 C ATOM 698 C LYS A 44 -3.552 -3.551 -9.209 1.00 0.00 C ATOM 699 O LYS A 44 -3.309 -3.267 -10.380 1.00 0.00 O ATOM 700 CB LYS A 44 -3.694 -1.899 -7.283 1.00 0.00 C ATOM 701 CG LYS A 44 -4.707 -1.081 -8.091 1.00 0.00 C ATOM 702 CD LYS A 44 -6.125 -1.368 -7.567 1.00 0.00 C ATOM 703 CE LYS A 44 -7.151 -0.655 -8.457 1.00 0.00 C ATOM 704 NZ LYS A 44 -8.480 -0.596 -7.833 1.00 0.00 N ATOM 0 H LYS A 44 -1.950 -1.267 -9.148 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.458 -3.625 -7.412 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.238 -2.485 -6.542 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.052 -1.209 -6.736 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.484 -0.018 -8.006 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.639 -1.338 -9.148 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.313 -2.442 -7.564 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.220 -1.025 -6.537 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.805 0.357 -8.668 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.223 -1.174 -9.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.079 0.074 -8.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.916 -1.540 -7.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.387 -0.280 -6.846 1.00 0.00 H new ATOM 718 N LYS A 45 -4.502 -4.412 -8.861 1.00 0.00 N ATOM 719 CA LYS A 45 -5.424 -4.989 -9.817 1.00 0.00 C ATOM 720 C LYS A 45 -6.659 -5.486 -9.089 1.00 0.00 C ATOM 721 O LYS A 45 -6.797 -5.289 -7.882 1.00 0.00 O ATOM 722 CB LYS A 45 -4.738 -6.089 -10.641 1.00 0.00 C ATOM 723 CG LYS A 45 -4.565 -7.462 -9.977 1.00 0.00 C ATOM 724 CD LYS A 45 -3.715 -7.449 -8.700 1.00 0.00 C ATOM 725 CE LYS A 45 -3.335 -8.893 -8.334 1.00 0.00 C ATOM 726 NZ LYS A 45 -2.031 -8.972 -7.653 1.00 0.00 N ATOM 0 H LYS A 45 -4.650 -4.727 -7.902 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.742 -4.228 -10.529 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.309 -6.228 -11.559 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.751 -5.728 -10.931 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.550 -7.863 -9.738 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.109 -8.144 -10.695 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.817 -6.851 -8.852 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.270 -6.988 -7.883 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.105 -9.317 -7.690 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.307 -9.500 -9.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.915 -9.916 -7.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.269 -8.804 -8.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.986 -8.252 -6.904 1.00 0.00 H new ATOM 740 N THR A 46 -7.544 -6.151 -9.825 1.00 0.00 N ATOM 741 CA THR A 46 -8.682 -6.853 -9.271 1.00 0.00 C ATOM 742 C THR A 46 -8.480 -8.336 -9.558 1.00 0.00 C ATOM 743 O THR A 46 -8.229 -8.712 -10.702 1.00 0.00 O ATOM 744 CB THR A 46 -9.968 -6.236 -9.834 1.00 0.00 C ATOM 745 OG1 THR A 46 -11.081 -6.613 -9.055 1.00 0.00 O ATOM 746 CG2 THR A 46 -10.229 -6.561 -11.304 1.00 0.00 C ATOM 0 H THR A 46 -7.484 -6.214 -10.841 1.00 0.00 H new ATOM 0 HA THR A 46 -8.774 -6.754 -8.189 1.00 0.00 H new ATOM 0 HB THR A 46 -9.819 -5.157 -9.782 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.893 -6.209 -9.427 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.157 -6.086 -11.622 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.404 -6.188 -11.911 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.312 -7.641 -11.429 1.00 0.00 H new ATOM 754 N ILE A 47 -8.490 -9.172 -8.517 1.00 0.00 N ATOM 755 CA ILE A 47 -8.420 -10.612 -8.706 1.00 0.00 C ATOM 756 C ILE A 47 -9.775 -11.121 -9.210 1.00 0.00 C ATOM 757 O ILE A 47 -10.831 -10.620 -8.819 1.00 0.00 O ATOM 758 CB ILE A 47 -7.923 -11.326 -7.436 1.00 0.00 C ATOM 759 CG1 ILE A 47 -8.000 -12.853 -7.612 1.00 0.00 C ATOM 760 CG2 ILE A 47 -8.728 -10.874 -6.222 1.00 0.00 C ATOM 761 CD1 ILE A 47 -7.254 -13.621 -6.509 1.00 0.00 C ATOM 0 H ILE A 47 -8.546 -8.874 -7.543 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.678 -10.849 -9.469 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.880 -11.057 -7.270 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.046 -13.161 -7.618 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.582 -13.123 -8.582 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.364 -11.388 -5.332 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.615 -9.798 -6.091 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.781 -11.113 -6.374 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.344 -14.693 -6.687 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.201 -13.339 -6.518 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.687 -13.377 -5.539 1.00 0.00 H new ATOM 773 N TYR A 48 -9.730 -12.120 -10.090 1.00 0.00 N ATOM 774 CA TYR A 48 -10.895 -12.743 -10.687 1.00 0.00 C ATOM 775 C TYR A 48 -11.219 -14.040 -9.940 1.00 0.00 C ATOM 776 O TYR A 48 -10.701 -14.310 -8.860 1.00 0.00 O ATOM 777 CB TYR A 48 -10.683 -12.997 -12.195 1.00 0.00 C ATOM 778 CG TYR A 48 -9.940 -11.940 -13.002 1.00 0.00 C ATOM 779 CD1 TYR A 48 -10.169 -10.588 -12.725 1.00 0.00 C ATOM 780 CD2 TYR A 48 -9.073 -12.289 -14.061 1.00 0.00 C ATOM 781 CE1 TYR A 48 -9.519 -9.590 -13.468 1.00 0.00 C ATOM 782 CE2 TYR A 48 -8.444 -11.285 -14.826 1.00 0.00 C ATOM 783 CZ TYR A 48 -8.660 -9.929 -14.523 1.00 0.00 C ATOM 784 OH TYR A 48 -8.050 -8.944 -15.253 1.00 0.00 O ATOM 0 H TYR A 48 -8.852 -12.526 -10.413 1.00 0.00 H new ATOM 0 HA TYR A 48 -11.744 -12.066 -10.597 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.144 -13.938 -12.302 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -11.663 -13.137 -12.651 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -10.850 -10.310 -11.934 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -8.891 -13.330 -14.286 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -9.682 -8.551 -13.225 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -7.796 -11.558 -15.645 1.00 0.00 H new ATOM 0 HH TYR A 48 -8.370 -8.068 -14.952 1.00 0.00 H new ATOM 923 N LYS A 57 -13.479 -11.655 -6.643 1.00 0.00 N ATOM 924 CA LYS A 57 -12.998 -11.875 -5.285 1.00 0.00 C ATOM 925 C LYS A 57 -12.793 -10.526 -4.582 1.00 0.00 C ATOM 926 O LYS A 57 -13.347 -10.290 -3.508 1.00 0.00 O ATOM 927 CB LYS A 57 -11.713 -12.727 -5.338 1.00 0.00 C ATOM 928 CG LYS A 57 -11.839 -14.100 -4.655 1.00 0.00 C ATOM 929 CD LYS A 57 -11.399 -14.075 -3.178 1.00 0.00 C ATOM 930 CE LYS A 57 -10.287 -15.109 -2.939 1.00 0.00 C ATOM 931 NZ LYS A 57 -9.675 -14.967 -1.606 1.00 0.00 N ATOM 0 HA LYS A 57 -13.733 -12.426 -4.698 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.432 -12.877 -6.381 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.902 -12.172 -4.866 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.874 -14.437 -4.715 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.235 -14.827 -5.197 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.043 -13.079 -2.914 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.251 -14.290 -2.533 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.698 -16.113 -3.044 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.519 -14.998 -3.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.931 -15.684 -1.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.260 -14.018 -1.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.402 -15.099 -0.874 1.00 0.00 H new ATOM 945 N GLY A 58 -12.008 -9.626 -5.182 1.00 0.00 N ATOM 946 CA GLY A 58 -11.696 -8.347 -4.563 1.00 0.00 C ATOM 947 C GLY A 58 -10.592 -7.603 -5.303 1.00 0.00 C ATOM 948 O GLY A 58 -10.017 -8.109 -6.269 1.00 0.00 O ATOM 0 H GLY A 58 -11.579 -9.766 -6.097 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -12.594 -7.729 -4.537 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.392 -8.510 -3.529 1.00 0.00 H new ATOM 952 N TYR A 59 -10.286 -6.398 -4.816 1.00 0.00 N ATOM 953 CA TYR A 59 -9.123 -5.640 -5.248 1.00 0.00 C ATOM 954 C TYR A 59 -7.899 -6.194 -4.537 1.00 0.00 C ATOM 955 O TYR A 59 -7.995 -6.537 -3.363 1.00 0.00 O ATOM 956 CB TYR A 59 -9.319 -4.137 -4.974 1.00 0.00 C ATOM 957 CG TYR A 59 -10.264 -3.495 -5.984 1.00 0.00 C ATOM 958 CD1 TYR A 59 -9.886 -3.468 -7.336 1.00 0.00 C ATOM 959 CD2 TYR A 59 -11.557 -3.063 -5.626 1.00 0.00 C ATOM 960 CE1 TYR A 59 -10.760 -2.979 -8.321 1.00 0.00 C ATOM 961 CE2 TYR A 59 -12.440 -2.579 -6.614 1.00 0.00 C ATOM 962 CZ TYR A 59 -12.040 -2.539 -7.962 1.00 0.00 C ATOM 963 OH TYR A 59 -12.875 -2.067 -8.931 1.00 0.00 O ATOM 0 H TYR A 59 -10.845 -5.923 -4.107 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.984 -5.743 -6.324 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.715 -4.000 -3.968 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.353 -3.632 -5.008 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.909 -3.828 -7.623 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -11.872 -3.103 -4.594 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.445 -2.942 -9.353 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -13.426 -2.238 -6.335 1.00 0.00 H new ATOM 0 HH TYR A 59 -13.727 -1.801 -8.527 1.00 0.00 H new ATOM 973 N GLU A 60 -6.772 -6.307 -5.243 1.00 0.00 N ATOM 974 CA GLU A 60 -5.497 -6.716 -4.694 1.00 0.00 C ATOM 975 C GLU A 60 -4.446 -5.664 -5.057 1.00 0.00 C ATOM 976 O GLU A 60 -4.497 -5.098 -6.148 1.00 0.00 O ATOM 977 CB GLU A 60 -5.129 -8.105 -5.224 1.00 0.00 C ATOM 978 CG GLU A 60 -5.375 -9.177 -4.151 1.00 0.00 C ATOM 979 CD GLU A 60 -5.200 -10.602 -4.667 1.00 0.00 C ATOM 980 OE1 GLU A 60 -4.376 -10.787 -5.589 1.00 0.00 O ATOM 981 OE2 GLU A 60 -5.894 -11.486 -4.121 1.00 0.00 O ATOM 0 H GLU A 60 -6.730 -6.108 -6.243 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.549 -6.787 -3.608 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.720 -8.329 -6.112 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.082 -8.119 -5.526 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.689 -9.013 -3.320 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.385 -9.062 -3.758 1.00 0.00 H new ATOM 988 N TYR A 61 -3.499 -5.398 -4.159 1.00 0.00 N ATOM 989 CA TYR A 61 -2.454 -4.395 -4.342 1.00 0.00 C ATOM 990 C TYR A 61 -1.093 -5.043 -4.261 1.00 0.00 C ATOM 991 O TYR A 61 -0.644 -5.331 -3.156 1.00 0.00 O ATOM 992 CB TYR A 61 -2.519 -3.339 -3.252 1.00 0.00 C ATOM 993 CG TYR A 61 -3.877 -2.751 -3.105 1.00 0.00 C ATOM 994 CD1 TYR A 61 -4.350 -1.780 -3.988 1.00 0.00 C ATOM 995 CD2 TYR A 61 -4.640 -3.138 -2.016 1.00 0.00 C ATOM 996 CE1 TYR A 61 -5.635 -1.242 -3.824 1.00 0.00 C ATOM 997 CE2 TYR A 61 -5.915 -2.630 -1.857 1.00 0.00 C ATOM 998 CZ TYR A 61 -6.436 -1.691 -2.768 1.00 0.00 C ATOM 999 OH TYR A 61 -7.697 -1.202 -2.648 1.00 0.00 O ATOM 0 H TYR A 61 -3.436 -5.885 -3.265 1.00 0.00 H new ATOM 0 HA TYR A 61 -2.610 -3.936 -5.318 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.214 -3.782 -2.304 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.806 -2.546 -3.477 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -3.725 -1.441 -4.801 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -4.240 -3.834 -1.294 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -6.002 -0.489 -4.506 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.519 -2.957 -1.024 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.045 -0.974 -3.535 1.00 0.00 H new ATOM 1009 N GLN A 62 -0.418 -5.229 -5.391 1.00 0.00 N ATOM 1010 CA GLN A 62 0.916 -5.786 -5.363 1.00 0.00 C ATOM 1011 C GLN A 62 1.891 -4.649 -5.073 1.00 0.00 C ATOM 1012 O GLN A 62 2.052 -3.735 -5.886 1.00 0.00 O ATOM 1013 CB GLN A 62 1.203 -6.471 -6.700 1.00 0.00 C ATOM 1014 CG GLN A 62 2.470 -7.329 -6.613 1.00 0.00 C ATOM 1015 CD GLN A 62 3.144 -7.451 -7.972 1.00 0.00 C ATOM 1016 OE1 GLN A 62 4.108 -6.749 -8.256 1.00 0.00 O ATOM 1017 NE2 GLN A 62 2.649 -8.339 -8.828 1.00 0.00 N ATOM 0 H GLN A 62 -0.772 -5.004 -6.321 1.00 0.00 H new ATOM 0 HA GLN A 62 1.022 -6.541 -4.584 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.355 -7.095 -6.983 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.321 -5.719 -7.481 1.00 0.00 H new ATOM 0 HG2 GLN A 62 3.164 -6.887 -5.898 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.216 -8.321 -6.239 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.846 -8.909 -8.564 1.00 0.00 H new ATOM 0 HE22 GLN A 62 3.072 -8.450 -9.749 1.00 0.00 H new ATOM 1026 N LEU A 63 2.534 -4.700 -3.907 1.00 0.00 N ATOM 1027 CA LEU A 63 3.524 -3.719 -3.509 1.00 0.00 C ATOM 1028 C LEU A 63 4.694 -4.406 -2.812 1.00 0.00 C ATOM 1029 O LEU A 63 4.542 -5.323 -2.008 1.00 0.00 O ATOM 1030 CB LEU A 63 2.882 -2.587 -2.697 1.00 0.00 C ATOM 1031 CG LEU A 63 1.992 -3.056 -1.535 1.00 0.00 C ATOM 1032 CD1 LEU A 63 2.640 -2.770 -0.179 1.00 0.00 C ATOM 1033 CD2 LEU A 63 0.644 -2.342 -1.607 1.00 0.00 C ATOM 0 H LEU A 63 2.377 -5.430 -3.213 1.00 0.00 H new ATOM 0 HA LEU A 63 3.940 -3.235 -4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.672 -1.951 -2.298 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.285 -1.970 -3.368 1.00 0.00 H new ATOM 0 HG LEU A 63 1.857 -4.134 -1.628 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.982 -3.115 0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.594 -3.293 -0.114 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.806 -1.698 -0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.012 -2.674 -0.783 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.798 -1.265 -1.535 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.158 -2.576 -2.554 1.00 0.00 H new ATOM 1045 N TYR A 64 5.895 -3.983 -3.188 1.00 0.00 N ATOM 1046 CA TYR A 64 7.137 -4.616 -2.801 1.00 0.00 C ATOM 1047 C TYR A 64 7.762 -3.805 -1.662 1.00 0.00 C ATOM 1048 O TYR A 64 8.416 -2.786 -1.898 1.00 0.00 O ATOM 1049 CB TYR A 64 8.003 -4.692 -4.060 1.00 0.00 C ATOM 1050 CG TYR A 64 7.840 -5.967 -4.873 1.00 0.00 C ATOM 1051 CD1 TYR A 64 8.072 -7.214 -4.265 1.00 0.00 C ATOM 1052 CD2 TYR A 64 7.560 -5.913 -6.252 1.00 0.00 C ATOM 1053 CE1 TYR A 64 8.042 -8.392 -5.027 1.00 0.00 C ATOM 1054 CE2 TYR A 64 7.464 -7.101 -7.000 1.00 0.00 C ATOM 1055 CZ TYR A 64 7.685 -8.342 -6.381 1.00 0.00 C ATOM 1056 OH TYR A 64 7.479 -9.506 -7.059 1.00 0.00 O ATOM 0 H TYR A 64 6.029 -3.168 -3.786 1.00 0.00 H new ATOM 0 HA TYR A 64 7.009 -5.629 -2.418 1.00 0.00 H new ATOM 0 HB2 TYR A 64 7.768 -3.839 -4.697 1.00 0.00 H new ATOM 0 HB3 TYR A 64 9.049 -4.594 -3.770 1.00 0.00 H new ATOM 0 HD1 TYR A 64 8.274 -7.265 -3.205 1.00 0.00 H new ATOM 0 HD2 TYR A 64 7.419 -4.958 -6.736 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.294 -9.337 -4.570 1.00 0.00 H new ATOM 0 HE2 TYR A 64 7.220 -7.058 -8.051 1.00 0.00 H new ATOM 0 HH TYR A 64 7.237 -9.305 -7.987 1.00 0.00 H new ATOM 1066 N VAL A 65 7.529 -4.245 -0.422 1.00 0.00 N ATOM 1067 CA VAL A 65 8.017 -3.548 0.762 1.00 0.00 C ATOM 1068 C VAL A 65 9.480 -3.956 0.967 1.00 0.00 C ATOM 1069 O VAL A 65 9.802 -5.148 0.933 1.00 0.00 O ATOM 1070 CB VAL A 65 7.112 -3.831 1.976 1.00 0.00 C ATOM 1071 CG1 VAL A 65 7.589 -3.120 3.253 1.00 0.00 C ATOM 1072 CG2 VAL A 65 5.685 -3.350 1.682 1.00 0.00 C ATOM 0 H VAL A 65 6.999 -5.091 -0.216 1.00 0.00 H new ATOM 0 HA VAL A 65 7.979 -2.466 0.634 1.00 0.00 H new ATOM 0 HB VAL A 65 7.148 -4.907 2.143 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.913 -3.356 4.075 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.595 -3.456 3.503 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.597 -2.043 3.088 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.048 -3.552 2.543 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.696 -2.278 1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.295 -3.877 0.811 1.00 0.00 H new ATOM 1082 N TYR A 66 10.370 -2.968 1.123 1.00 0.00 N ATOM 1083 CA TYR A 66 11.809 -3.185 1.123 1.00 0.00 C ATOM 1084 C TYR A 66 12.315 -3.312 2.557 1.00 0.00 C ATOM 1085 O TYR A 66 13.099 -2.500 3.048 1.00 0.00 O ATOM 1086 CB TYR A 66 12.492 -2.048 0.355 1.00 0.00 C ATOM 1087 CG TYR A 66 13.889 -2.369 -0.138 1.00 0.00 C ATOM 1088 CD1 TYR A 66 14.117 -3.539 -0.882 1.00 0.00 C ATOM 1089 CD2 TYR A 66 14.955 -1.491 0.119 1.00 0.00 C ATOM 1090 CE1 TYR A 66 15.405 -3.846 -1.350 1.00 0.00 C ATOM 1091 CE2 TYR A 66 16.231 -1.766 -0.401 1.00 0.00 C ATOM 1092 CZ TYR A 66 16.453 -2.934 -1.148 1.00 0.00 C ATOM 1093 OH TYR A 66 17.655 -3.131 -1.757 1.00 0.00 O ATOM 0 H TYR A 66 10.103 -1.992 1.253 1.00 0.00 H new ATOM 0 HA TYR A 66 12.054 -4.118 0.616 1.00 0.00 H new ATOM 0 HB2 TYR A 66 11.871 -1.781 -0.500 1.00 0.00 H new ATOM 0 HB3 TYR A 66 12.541 -1.170 0.999 1.00 0.00 H new ATOM 0 HD1 TYR A 66 13.296 -4.207 -1.095 1.00 0.00 H new ATOM 0 HD2 TYR A 66 14.794 -0.605 0.716 1.00 0.00 H new ATOM 0 HE1 TYR A 66 15.588 -4.779 -1.863 1.00 0.00 H new ATOM 0 HE2 TYR A 66 17.044 -1.077 -0.226 1.00 0.00 H new ATOM 0 HH TYR A 66 18.374 -3.052 -1.096 1.00 0.00 H new ATOM 1103 N ALA A 67 11.834 -4.338 3.253 1.00 0.00 N ATOM 1104 CA ALA A 67 12.033 -4.484 4.684 1.00 0.00 C ATOM 1105 C ALA A 67 13.404 -5.134 4.895 1.00 0.00 C ATOM 1106 O ALA A 67 13.795 -5.982 4.105 1.00 0.00 O ATOM 1107 CB ALA A 67 10.813 -5.213 5.302 1.00 0.00 C ATOM 0 H ALA A 67 11.292 -5.094 2.834 1.00 0.00 H new ATOM 0 HA ALA A 67 12.068 -3.536 5.220 1.00 0.00 H new ATOM 0 HB1 ALA A 67 10.961 -5.323 6.376 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.910 -4.631 5.118 1.00 0.00 H new ATOM 0 HB3 ALA A 67 10.709 -6.198 4.847 1.00 0.00 H new ATOM 1113 N SER A 68 14.181 -4.729 5.910 1.00 0.00 N ATOM 1114 CA SER A 68 15.516 -5.264 6.170 1.00 0.00 C ATOM 1115 C SER A 68 16.433 -5.240 4.945 1.00 0.00 C ATOM 1116 O SER A 68 17.306 -6.094 4.830 1.00 0.00 O ATOM 1117 CB SER A 68 15.460 -6.658 6.809 1.00 0.00 C ATOM 1118 OG SER A 68 15.003 -6.540 8.138 1.00 0.00 O ATOM 0 H SER A 68 13.893 -4.013 6.577 1.00 0.00 H new ATOM 0 HA SER A 68 15.968 -4.586 6.894 1.00 0.00 H new ATOM 0 HB2 SER A 68 14.794 -7.306 6.239 1.00 0.00 H new ATOM 0 HB3 SER A 68 16.447 -7.120 6.791 1.00 0.00 H new ATOM 0 HG SER A 68 14.918 -7.432 8.535 1.00 0.00 H new ATOM 1124 N ASP A 69 16.252 -4.269 4.043 1.00 0.00 N ATOM 1125 CA ASP A 69 16.997 -4.204 2.790 1.00 0.00 C ATOM 1126 C ASP A 69 16.819 -5.502 1.984 1.00 0.00 C ATOM 1127 O ASP A 69 17.719 -5.917 1.257 1.00 0.00 O ATOM 1128 CB ASP A 69 18.468 -3.869 3.094 1.00 0.00 C ATOM 1129 CG ASP A 69 19.303 -3.595 1.847 1.00 0.00 C ATOM 1130 OD1 ASP A 69 18.873 -2.728 1.058 1.00 0.00 O ATOM 1131 OD2 ASP A 69 20.375 -4.229 1.726 1.00 0.00 O ATOM 0 H ASP A 69 15.584 -3.508 4.165 1.00 0.00 H new ATOM 0 HA ASP A 69 16.605 -3.407 2.158 1.00 0.00 H new ATOM 0 HB2 ASP A 69 18.506 -2.996 3.745 1.00 0.00 H new ATOM 0 HB3 ASP A 69 18.914 -4.697 3.645 1.00 0.00 H new ATOM 1136 N LYS A 70 15.650 -6.142 2.103 1.00 0.00 N ATOM 1137 CA LYS A 70 15.256 -7.309 1.338 1.00 0.00 C ATOM 1138 C LYS A 70 13.908 -6.982 0.712 1.00 0.00 C ATOM 1139 O LYS A 70 13.159 -6.143 1.213 1.00 0.00 O ATOM 1140 CB LYS A 70 15.111 -8.558 2.222 1.00 0.00 C ATOM 1141 CG LYS A 70 16.404 -9.352 2.452 1.00 0.00 C ATOM 1142 CD LYS A 70 17.221 -8.860 3.650 1.00 0.00 C ATOM 1143 CE LYS A 70 18.038 -10.019 4.236 1.00 0.00 C ATOM 1144 NZ LYS A 70 18.988 -9.554 5.261 1.00 0.00 N ATOM 0 H LYS A 70 14.932 -5.842 2.763 1.00 0.00 H new ATOM 0 HA LYS A 70 16.020 -7.532 0.593 1.00 0.00 H new ATOM 0 HB2 LYS A 70 14.714 -8.254 3.190 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.373 -9.220 1.769 1.00 0.00 H new ATOM 0 HG2 LYS A 70 16.154 -10.402 2.600 1.00 0.00 H new ATOM 0 HG3 LYS A 70 17.020 -9.295 1.555 1.00 0.00 H new ATOM 0 HD2 LYS A 70 17.887 -8.054 3.341 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.557 -8.451 4.411 1.00 0.00 H new ATOM 0 HE2 LYS A 70 17.363 -10.755 4.673 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.583 -10.521 3.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 19.522 -10.365 5.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 19.648 -8.870 4.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 18.466 -9.098 6.036 1.00 0.00 H new ATOM 1158 N LEU A 71 13.609 -7.657 -0.392 1.00 0.00 N ATOM 1159 CA LEU A 71 12.376 -7.490 -1.122 1.00 0.00 C ATOM 1160 C LEU A 71 11.358 -8.452 -0.507 1.00 0.00 C ATOM 1161 O LEU A 71 11.532 -9.668 -0.557 1.00 0.00 O ATOM 1162 CB LEU A 71 12.676 -7.749 -2.613 1.00 0.00 C ATOM 1163 CG LEU A 71 12.523 -6.492 -3.488 1.00 0.00 C ATOM 1164 CD1 LEU A 71 13.728 -6.289 -4.397 1.00 0.00 C ATOM 1165 CD2 LEU A 71 11.275 -6.627 -4.349 1.00 0.00 C ATOM 0 H LEU A 71 14.235 -8.348 -0.806 1.00 0.00 H new ATOM 0 HA LEU A 71 11.954 -6.487 -1.058 1.00 0.00 H new ATOM 0 HB2 LEU A 71 13.692 -8.131 -2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 71 12.006 -8.525 -2.983 1.00 0.00 H new ATOM 0 HG LEU A 71 12.444 -5.630 -2.825 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.583 -5.392 -4.999 1.00 0.00 H new ATOM 0 HD12 LEU A 71 14.627 -6.177 -3.790 1.00 0.00 H new ATOM 0 HD13 LEU A 71 13.838 -7.152 -5.053 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.164 -5.738 -4.970 1.00 0.00 H new ATOM 0 HD22 LEU A 71 11.366 -7.506 -4.987 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.400 -6.733 -3.708 1.00 0.00 H new ATOM 1177 N PHE A 72 10.304 -7.917 0.111 1.00 0.00 N ATOM 1178 CA PHE A 72 9.214 -8.711 0.637 1.00 0.00 C ATOM 1179 C PHE A 72 7.989 -8.408 -0.212 1.00 0.00 C ATOM 1180 O PHE A 72 7.528 -7.264 -0.265 1.00 0.00 O ATOM 1181 CB PHE A 72 9.026 -8.369 2.113 1.00 0.00 C ATOM 1182 CG PHE A 72 10.109 -8.948 3.001 1.00 0.00 C ATOM 1183 CD1 PHE A 72 10.118 -10.316 3.328 1.00 0.00 C ATOM 1184 CD2 PHE A 72 11.119 -8.110 3.493 1.00 0.00 C ATOM 1185 CE1 PHE A 72 11.091 -10.818 4.211 1.00 0.00 C ATOM 1186 CE2 PHE A 72 12.081 -8.603 4.396 1.00 0.00 C ATOM 1187 CZ PHE A 72 12.071 -9.963 4.746 1.00 0.00 C ATOM 0 H PHE A 72 10.190 -6.914 0.257 1.00 0.00 H new ATOM 0 HA PHE A 72 9.408 -9.783 0.587 1.00 0.00 H new ATOM 0 HB2 PHE A 72 9.010 -7.285 2.229 1.00 0.00 H new ATOM 0 HB3 PHE A 72 8.056 -8.739 2.445 1.00 0.00 H new ATOM 0 HD1 PHE A 72 9.380 -10.979 2.902 1.00 0.00 H new ATOM 0 HD2 PHE A 72 11.160 -7.078 3.177 1.00 0.00 H new ATOM 0 HE1 PHE A 72 11.085 -11.864 4.479 1.00 0.00 H new ATOM 0 HE2 PHE A 72 12.822 -7.939 4.817 1.00 0.00 H new ATOM 0 HZ PHE A 72 12.815 -10.352 5.425 1.00 0.00 H new ATOM 1197 N ARG A 73 7.487 -9.428 -0.912 1.00 0.00 N ATOM 1198 CA ARG A 73 6.304 -9.289 -1.727 1.00 0.00 C ATOM 1199 C ARG A 73 5.146 -9.097 -0.764 1.00 0.00 C ATOM 1200 O ARG A 73 4.905 -9.976 0.059 1.00 0.00 O ATOM 1201 CB ARG A 73 6.107 -10.535 -2.599 1.00 0.00 C ATOM 1202 CG ARG A 73 5.140 -10.232 -3.749 1.00 0.00 C ATOM 1203 CD ARG A 73 4.913 -11.490 -4.600 1.00 0.00 C ATOM 1204 NE ARG A 73 3.630 -11.423 -5.310 1.00 0.00 N ATOM 1205 CZ ARG A 73 3.073 -12.445 -5.976 1.00 0.00 C ATOM 1206 NH1 ARG A 73 3.759 -13.574 -6.188 1.00 0.00 N ATOM 1207 NH2 ARG A 73 1.816 -12.331 -6.418 1.00 0.00 N ATOM 0 H ARG A 73 7.895 -10.363 -0.922 1.00 0.00 H new ATOM 0 HA ARG A 73 6.381 -8.442 -2.409 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.067 -10.863 -2.999 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.717 -11.353 -1.993 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.189 -9.878 -3.350 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.543 -9.432 -4.370 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.725 -11.598 -5.319 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.933 -12.373 -3.962 1.00 0.00 H new ATOM 0 HE ARG A 73 3.126 -10.536 -5.296 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.714 -13.663 -5.842 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.327 -14.346 -6.696 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.291 -11.473 -6.247 1.00 0.00 H new ATOM 0 HH22 ARG A 73 1.382 -13.102 -6.926 1.00 0.00 H new ATOM 1221 N ALA A 74 4.454 -7.961 -0.819 1.00 0.00 N ATOM 1222 CA ALA A 74 3.288 -7.742 0.004 1.00 0.00 C ATOM 1223 C ALA A 74 2.105 -7.498 -0.927 1.00 0.00 C ATOM 1224 O ALA A 74 2.164 -6.618 -1.783 1.00 0.00 O ATOM 1225 CB ALA A 74 3.562 -6.600 0.981 1.00 0.00 C ATOM 0 H ALA A 74 4.690 -7.180 -1.431 1.00 0.00 H new ATOM 0 HA ALA A 74 3.047 -8.606 0.623 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.682 -6.434 1.603 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.410 -6.859 1.615 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.789 -5.691 0.424 1.00 0.00 H new ATOM 1231 N ASP A 75 1.048 -8.308 -0.808 1.00 0.00 N ATOM 1232 CA ASP A 75 -0.148 -8.139 -1.610 1.00 0.00 C ATOM 1233 C ASP A 75 -1.306 -7.943 -0.649 1.00 0.00 C ATOM 1234 O ASP A 75 -1.595 -8.858 0.107 1.00 0.00 O ATOM 1235 CB ASP A 75 -0.363 -9.346 -2.531 1.00 0.00 C ATOM 1236 CG ASP A 75 -0.862 -8.919 -3.908 1.00 0.00 C ATOM 1237 OD1 ASP A 75 -1.937 -8.281 -3.954 1.00 0.00 O ATOM 1238 OD2 ASP A 75 -0.155 -9.229 -4.894 1.00 0.00 O ATOM 0 H ASP A 75 1.006 -9.091 -0.156 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.060 -7.272 -2.265 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.573 -9.895 -2.636 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.083 -10.027 -2.077 1.00 0.00 H new ATOM 1243 N ILE A 76 -1.951 -6.780 -0.618 1.00 0.00 N ATOM 1244 CA ILE A 76 -3.142 -6.621 0.221 1.00 0.00 C ATOM 1245 C ILE A 76 -4.374 -6.867 -0.635 1.00 0.00 C ATOM 1246 O ILE A 76 -4.486 -6.260 -1.693 1.00 0.00 O ATOM 1247 CB ILE A 76 -3.159 -5.262 0.939 1.00 0.00 C ATOM 1248 CG1 ILE A 76 -2.105 -5.229 2.056 1.00 0.00 C ATOM 1249 CG2 ILE A 76 -4.556 -4.941 1.509 1.00 0.00 C ATOM 1250 CD1 ILE A 76 -2.332 -6.289 3.137 1.00 0.00 C ATOM 0 H ILE A 76 -1.681 -5.952 -1.148 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.131 -7.358 1.024 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.915 -4.496 0.203 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.117 -5.373 1.618 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.108 -4.242 2.519 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.531 -3.973 2.010 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.282 -4.911 0.697 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.843 -5.712 2.224 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.552 -6.209 3.894 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.306 -6.133 3.601 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.300 -7.281 2.686 1.00 0.00 H new ATOM 1262 N SER A 77 -5.266 -7.755 -0.185 1.00 0.00 N ATOM 1263 CA SER A 77 -6.563 -8.013 -0.800 1.00 0.00 C ATOM 1264 C SER A 77 -7.608 -7.101 -0.166 1.00 0.00 C ATOM 1265 O SER A 77 -7.384 -6.580 0.924 1.00 0.00 O ATOM 1266 CB SER A 77 -6.927 -9.494 -0.636 1.00 0.00 C ATOM 1267 OG SER A 77 -8.246 -9.808 -1.049 1.00 0.00 O ATOM 0 H SER A 77 -5.097 -8.328 0.641 1.00 0.00 H new ATOM 0 HA SER A 77 -6.525 -7.797 -1.868 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.223 -10.097 -1.210 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.808 -9.774 0.411 1.00 0.00 H new ATOM 0 HG SER A 77 -8.410 -10.765 -0.919 1.00 0.00 H new ATOM 1273 N GLU A 78 -8.756 -6.954 -0.829 1.00 0.00 N ATOM 1274 CA GLU A 78 -9.942 -6.289 -0.339 1.00 0.00 C ATOM 1275 C GLU A 78 -11.159 -7.194 -0.468 1.00 0.00 C ATOM 1276 O GLU A 78 -11.084 -8.264 -1.065 1.00 0.00 O ATOM 1277 CB GLU A 78 -10.164 -5.001 -1.128 1.00 0.00 C ATOM 1278 CG GLU A 78 -9.027 -4.005 -0.899 1.00 0.00 C ATOM 1279 CD GLU A 78 -9.540 -2.577 -1.029 1.00 0.00 C ATOM 1280 OE1 GLU A 78 -10.286 -2.337 -2.005 1.00 0.00 O ATOM 1281 OE2 GLU A 78 -9.188 -1.756 -0.153 1.00 0.00 O ATOM 0 H GLU A 78 -8.879 -7.319 -1.773 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.803 -6.052 0.716 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.239 -5.232 -2.191 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -11.111 -4.549 -0.832 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.597 -4.155 0.091 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.230 -4.180 -1.622 1.00 0.00 H new ATOM 1288 N ASP A 79 -12.279 -6.734 0.094 1.00 0.00 N ATOM 1289 CA ASP A 79 -13.557 -7.426 0.040 1.00 0.00 C ATOM 1290 C ASP A 79 -14.449 -6.766 -1.016 1.00 0.00 C ATOM 1291 O ASP A 79 -15.052 -5.732 -0.724 1.00 0.00 O ATOM 1292 CB ASP A 79 -14.203 -7.396 1.435 1.00 0.00 C ATOM 1293 CG ASP A 79 -15.321 -8.425 1.571 1.00 0.00 C ATOM 1294 OD1 ASP A 79 -15.054 -9.606 1.259 1.00 0.00 O ATOM 1295 OD2 ASP A 79 -16.418 -8.018 2.004 1.00 0.00 O ATOM 0 H ASP A 79 -12.318 -5.854 0.607 1.00 0.00 H new ATOM 0 HA ASP A 79 -13.418 -8.468 -0.247 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.441 -7.587 2.191 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -14.602 -6.400 1.628 1.00 0.00 H new ATOM 1300 N TYR A 80 -14.530 -7.365 -2.216 1.00 0.00 N ATOM 1301 CA TYR A 80 -15.367 -6.940 -3.346 1.00 0.00 C ATOM 1302 C TYR A 80 -16.709 -6.343 -2.907 1.00 0.00 C ATOM 1303 O TYR A 80 -17.142 -5.329 -3.448 1.00 0.00 O ATOM 1304 CB TYR A 80 -15.596 -8.143 -4.282 1.00 0.00 C ATOM 1305 CG TYR A 80 -16.775 -8.056 -5.239 1.00 0.00 C ATOM 1306 CD1 TYR A 80 -16.936 -6.939 -6.082 1.00 0.00 C ATOM 1307 CD2 TYR A 80 -17.699 -9.116 -5.306 1.00 0.00 C ATOM 1308 CE1 TYR A 80 -18.019 -6.880 -6.977 1.00 0.00 C ATOM 1309 CE2 TYR A 80 -18.781 -9.055 -6.200 1.00 0.00 C ATOM 1310 CZ TYR A 80 -18.935 -7.943 -7.043 1.00 0.00 C ATOM 1311 OH TYR A 80 -19.962 -7.916 -7.939 1.00 0.00 O ATOM 0 H TYR A 80 -13.986 -8.200 -2.433 1.00 0.00 H new ATOM 0 HA TYR A 80 -14.836 -6.145 -3.870 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -14.691 -8.291 -4.871 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -15.724 -9.033 -3.666 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -16.226 -6.126 -6.041 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -17.576 -9.979 -4.668 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -18.147 -6.017 -7.614 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -19.495 -9.864 -6.239 1.00 0.00 H new ATOM 0 HH TYR A 80 -20.497 -8.732 -7.848 1.00 0.00 H new ATOM 1321 N LYS A 81 -17.362 -6.995 -1.940 1.00 0.00 N ATOM 1322 CA LYS A 81 -18.651 -6.616 -1.373 1.00 0.00 C ATOM 1323 C LYS A 81 -18.787 -5.105 -1.158 1.00 0.00 C ATOM 1324 O LYS A 81 -19.836 -4.513 -1.395 1.00 0.00 O ATOM 1325 CB LYS A 81 -18.794 -7.345 -0.030 1.00 0.00 C ATOM 1326 CG LYS A 81 -20.228 -7.392 0.499 1.00 0.00 C ATOM 1327 CD LYS A 81 -21.128 -8.168 -0.467 1.00 0.00 C ATOM 1328 CE LYS A 81 -22.373 -8.684 0.253 1.00 0.00 C ATOM 1329 NZ LYS A 81 -23.270 -9.381 -0.683 1.00 0.00 N ATOM 0 H LYS A 81 -16.984 -7.841 -1.514 1.00 0.00 H new ATOM 0 HA LYS A 81 -19.437 -6.897 -2.074 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -18.424 -8.364 -0.140 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -18.160 -6.854 0.708 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -20.245 -7.865 1.481 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -20.609 -6.379 0.626 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -21.422 -7.524 -1.296 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -20.576 -9.005 -0.894 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -22.080 -9.362 1.055 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -22.901 -7.851 0.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -24.108 -9.722 -0.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -23.566 -8.725 -1.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -22.770 -10.189 -1.106 1.00 0.00 H new ATOM 1343 N THR A 82 -17.728 -4.499 -0.631 1.00 0.00 N ATOM 1344 CA THR A 82 -17.604 -3.074 -0.433 1.00 0.00 C ATOM 1345 C THR A 82 -16.189 -2.647 -0.838 1.00 0.00 C ATOM 1346 O THR A 82 -15.982 -2.190 -1.959 1.00 0.00 O ATOM 1347 CB THR A 82 -18.027 -2.785 1.019 1.00 0.00 C ATOM 1348 OG1 THR A 82 -19.436 -2.677 1.037 1.00 0.00 O ATOM 1349 CG2 THR A 82 -17.418 -1.529 1.635 1.00 0.00 C ATOM 0 H THR A 82 -16.905 -5.015 -0.321 1.00 0.00 H new ATOM 0 HA THR A 82 -18.258 -2.470 -1.062 1.00 0.00 H new ATOM 0 HB THR A 82 -17.653 -3.608 1.628 1.00 0.00 H new ATOM 0 HG1 THR A 82 -19.812 -3.170 0.278 1.00 0.00 H new ATOM 0 HG21 THR A 82 -17.778 -1.414 2.658 1.00 0.00 H new ATOM 0 HG22 THR A 82 -16.332 -1.616 1.640 1.00 0.00 H new ATOM 0 HG23 THR A 82 -17.709 -0.658 1.048 1.00 0.00 H new ATOM 1357 N ARG A 83 -15.226 -2.768 0.078 1.00 0.00 N ATOM 1358 CA ARG A 83 -13.873 -2.232 -0.034 1.00 0.00 C ATOM 1359 C ARG A 83 -13.157 -2.488 1.302 1.00 0.00 C ATOM 1360 O ARG A 83 -12.504 -1.613 1.864 1.00 0.00 O ATOM 1361 CB ARG A 83 -13.891 -0.744 -0.454 1.00 0.00 C ATOM 1362 CG ARG A 83 -13.164 -0.514 -1.785 1.00 0.00 C ATOM 1363 CD ARG A 83 -13.393 0.918 -2.284 1.00 0.00 C ATOM 1364 NE ARG A 83 -12.244 1.408 -3.055 1.00 0.00 N ATOM 1365 CZ ARG A 83 -12.165 2.632 -3.597 1.00 0.00 C ATOM 1366 NH1 ARG A 83 -13.231 3.439 -3.598 1.00 0.00 N ATOM 1367 NH2 ARG A 83 -11.011 3.046 -4.128 1.00 0.00 N ATOM 0 H ARG A 83 -15.377 -3.265 0.956 1.00 0.00 H new ATOM 0 HA ARG A 83 -13.318 -2.735 -0.826 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.923 -0.404 -0.541 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.422 -0.142 0.324 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.097 -0.695 -1.659 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -13.522 -1.226 -2.529 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -14.289 0.950 -2.904 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -13.570 1.577 -1.434 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.454 0.776 -3.187 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -14.109 3.124 -3.185 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -13.166 4.369 -4.011 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.196 2.432 -4.120 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.945 3.976 -4.542 1.00 0.00 H new ATOM 1381 N GLY A 84 -13.320 -3.703 1.838 1.00 0.00 N ATOM 1382 CA GLY A 84 -12.613 -4.119 3.041 1.00 0.00 C ATOM 1383 C GLY A 84 -11.129 -4.314 2.730 1.00 0.00 C ATOM 1384 O GLY A 84 -10.694 -4.007 1.626 1.00 0.00 O ATOM 0 H GLY A 84 -13.940 -4.414 1.451 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.734 -3.369 3.823 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -13.039 -5.047 3.421 1.00 0.00 H new ATOM 1388 N ARG A 85 -10.361 -4.873 3.667 1.00 0.00 N ATOM 1389 CA ARG A 85 -8.953 -5.206 3.485 1.00 0.00 C ATOM 1390 C ARG A 85 -8.715 -6.599 4.058 1.00 0.00 C ATOM 1391 O ARG A 85 -9.414 -7.001 4.988 1.00 0.00 O ATOM 1392 CB ARG A 85 -8.015 -4.165 4.130 1.00 0.00 C ATOM 1393 CG ARG A 85 -8.690 -3.128 5.039 1.00 0.00 C ATOM 1394 CD ARG A 85 -9.241 -3.763 6.325 1.00 0.00 C ATOM 1395 NE ARG A 85 -10.664 -3.455 6.523 1.00 0.00 N ATOM 1396 CZ ARG A 85 -11.140 -2.284 6.967 1.00 0.00 C ATOM 1397 NH1 ARG A 85 -10.305 -1.278 7.249 1.00 0.00 N ATOM 1398 NH2 ARG A 85 -12.458 -2.128 7.129 1.00 0.00 N ATOM 0 H ARG A 85 -10.712 -5.111 4.595 1.00 0.00 H new ATOM 0 HA ARG A 85 -8.720 -5.194 2.420 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.261 -4.695 4.713 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.489 -3.636 3.335 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.972 -2.350 5.298 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -9.502 -2.644 4.497 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -9.106 -4.844 6.283 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.669 -3.404 7.181 1.00 0.00 H new ATOM 0 HE ARG A 85 -11.340 -4.187 6.306 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -9.300 -1.400 7.126 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -10.673 -0.389 7.587 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -13.093 -2.897 6.915 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -12.829 -1.240 7.467 1.00 0.00 H new ATOM 1412 N LYS A 86 -7.731 -7.324 3.522 1.00 0.00 N ATOM 1413 CA LYS A 86 -7.286 -8.605 4.042 1.00 0.00 C ATOM 1414 C LYS A 86 -5.767 -8.684 4.027 1.00 0.00 C ATOM 1415 O LYS A 86 -5.118 -8.345 3.035 1.00 0.00 O ATOM 1416 CB LYS A 86 -7.907 -9.772 3.266 1.00 0.00 C ATOM 1417 CG LYS A 86 -9.106 -10.400 3.989 1.00 0.00 C ATOM 1418 CD LYS A 86 -8.733 -11.082 5.319 1.00 0.00 C ATOM 1419 CE LYS A 86 -8.901 -10.182 6.561 1.00 0.00 C ATOM 1420 NZ LYS A 86 -9.704 -10.851 7.601 1.00 0.00 N ATOM 0 H LYS A 86 -7.214 -7.024 2.696 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.625 -8.686 5.075 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.225 -9.421 2.284 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.148 -10.537 3.101 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.849 -9.627 4.182 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.573 -11.134 3.332 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.350 -11.972 5.443 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.697 -11.417 5.264 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.921 -9.927 6.963 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.381 -9.247 6.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.800 -10.222 8.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.647 -11.072 7.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.232 -11.731 7.891 1.00 0.00 H new ATOM 1434 N LEU A 87 -5.223 -9.144 5.155 1.00 0.00 N ATOM 1435 CA LEU A 87 -3.802 -9.291 5.370 1.00 0.00 C ATOM 1436 C LEU A 87 -3.307 -10.448 4.502 1.00 0.00 C ATOM 1437 O LEU A 87 -3.454 -11.614 4.858 1.00 0.00 O ATOM 1438 CB LEU A 87 -3.559 -9.515 6.873 1.00 0.00 C ATOM 1439 CG LEU A 87 -2.143 -9.136 7.334 1.00 0.00 C ATOM 1440 CD1 LEU A 87 -2.149 -8.975 8.861 1.00 0.00 C ATOM 1441 CD2 LEU A 87 -1.067 -10.147 6.918 1.00 0.00 C ATOM 0 H LEU A 87 -5.782 -9.429 5.959 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.244 -8.401 5.081 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.284 -8.931 7.440 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.740 -10.564 7.109 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.881 -8.200 6.840 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.149 -8.706 9.202 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.852 -8.190 9.141 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.450 -9.914 9.325 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.094 -9.812 7.279 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.298 -11.122 7.348 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.043 -10.227 5.831 1.00 0.00 H new ATOM 1453 N LEU A 88 -2.689 -10.097 3.377 1.00 0.00 N ATOM 1454 CA LEU A 88 -1.972 -10.998 2.481 1.00 0.00 C ATOM 1455 C LEU A 88 -0.569 -10.445 2.191 1.00 0.00 C ATOM 1456 O LEU A 88 0.157 -10.950 1.335 1.00 0.00 O ATOM 1457 CB LEU A 88 -2.811 -11.185 1.209 1.00 0.00 C ATOM 1458 CG LEU A 88 -3.851 -12.305 1.331 1.00 0.00 C ATOM 1459 CD1 LEU A 88 -4.890 -12.163 0.211 1.00 0.00 C ATOM 1460 CD2 LEU A 88 -3.180 -13.680 1.226 1.00 0.00 C ATOM 0 H LEU A 88 -2.674 -9.131 3.051 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.830 -11.976 2.942 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.320 -10.249 0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.147 -11.404 0.373 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.337 -12.224 2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.629 -12.959 0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.386 -11.196 0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.394 -12.233 -0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.935 -14.461 1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.679 -13.768 0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.448 -13.790 2.026 1.00 0.00 H new ATOM 1472 N ARG A 89 -0.184 -9.379 2.899 1.00 0.00 N ATOM 1473 CA ARG A 89 1.145 -8.825 2.813 1.00 0.00 C ATOM 1474 C ARG A 89 2.182 -9.787 3.381 1.00 0.00 C ATOM 1475 O ARG A 89 1.846 -10.754 4.059 1.00 0.00 O ATOM 1476 CB ARG A 89 1.226 -7.453 3.486 1.00 0.00 C ATOM 1477 CG ARG A 89 0.628 -7.385 4.886 1.00 0.00 C ATOM 1478 CD ARG A 89 0.869 -5.997 5.478 1.00 0.00 C ATOM 1479 NE ARG A 89 0.307 -4.892 4.662 1.00 0.00 N ATOM 1480 CZ ARG A 89 0.928 -4.196 3.696 1.00 0.00 C ATOM 1481 NH1 ARG A 89 2.179 -4.475 3.320 1.00 0.00 N ATOM 1482 NH2 ARG A 89 0.295 -3.171 3.121 1.00 0.00 N ATOM 0 H ARG A 89 -0.797 -8.884 3.546 1.00 0.00 H new ATOM 0 HA ARG A 89 1.373 -8.681 1.757 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.272 -7.153 3.539 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.717 -6.725 2.854 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.441 -7.594 4.847 1.00 0.00 H new ATOM 0 HG3 ARG A 89 1.079 -8.146 5.523 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.433 -5.957 6.476 1.00 0.00 H new ATOM 0 HD3 ARG A 89 1.942 -5.842 5.593 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.660 -4.632 4.857 1.00 0.00 H new ATOM 0 HH11 ARG A 89 2.689 -5.235 3.770 1.00 0.00 H new ATOM 0 HH12 ARG A 89 2.624 -3.928 2.583 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.650 -2.924 3.417 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.756 -2.634 2.386 1.00 0.00 H new ATOM 1496 N PHE A 90 3.451 -9.438 3.163 1.00 0.00 N ATOM 1497 CA PHE A 90 4.599 -10.086 3.779 1.00 0.00 C ATOM 1498 C PHE A 90 4.782 -11.518 3.267 1.00 0.00 C ATOM 1499 O PHE A 90 4.386 -12.481 3.919 1.00 0.00 O ATOM 1500 CB PHE A 90 4.469 -10.015 5.309 1.00 0.00 C ATOM 1501 CG PHE A 90 5.544 -9.201 5.974 1.00 0.00 C ATOM 1502 CD1 PHE A 90 6.748 -9.808 6.373 1.00 0.00 C ATOM 1503 CD2 PHE A 90 5.305 -7.845 6.245 1.00 0.00 C ATOM 1504 CE1 PHE A 90 7.724 -9.049 7.034 1.00 0.00 C ATOM 1505 CE2 PHE A 90 6.250 -7.106 6.970 1.00 0.00 C ATOM 1506 CZ PHE A 90 7.479 -7.694 7.317 1.00 0.00 C ATOM 0 H PHE A 90 3.710 -8.676 2.536 1.00 0.00 H new ATOM 0 HA PHE A 90 5.506 -9.553 3.493 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.497 -9.591 5.562 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.491 -11.027 5.713 1.00 0.00 H new ATOM 0 HD1 PHE A 90 6.920 -10.855 6.171 1.00 0.00 H new ATOM 0 HD2 PHE A 90 4.398 -7.373 5.897 1.00 0.00 H new ATOM 0 HE1 PHE A 90 8.660 -9.503 7.324 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.035 -6.088 7.261 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.239 -7.101 7.804 1.00 0.00 H new ATOM 1516 N ASN A 91 5.405 -11.667 2.097 1.00 0.00 N ATOM 1517 CA ASN A 91 5.547 -12.956 1.443 1.00 0.00 C ATOM 1518 C ASN A 91 6.864 -13.034 0.676 1.00 0.00 C ATOM 1519 O ASN A 91 7.488 -12.013 0.373 1.00 0.00 O ATOM 1520 CB ASN A 91 4.352 -13.177 0.505 1.00 0.00 C ATOM 1521 CG ASN A 91 3.772 -14.577 0.648 1.00 0.00 C ATOM 1522 OD1 ASN A 91 2.884 -14.808 1.460 1.00 0.00 O ATOM 1523 ND2 ASN A 91 4.261 -15.533 -0.136 1.00 0.00 N ATOM 0 H ASN A 91 5.823 -10.893 1.581 1.00 0.00 H new ATOM 0 HA ASN A 91 5.562 -13.743 2.197 1.00 0.00 H new ATOM 0 HB2 ASN A 91 3.579 -12.440 0.721 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.665 -13.017 -0.527 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.897 -16.483 -0.069 1.00 0.00 H new ATOM 0 HD22 ASN A 91 5.000 -15.316 -0.804 1.00 0.00 H new ATOM 1530 N GLY A 92 7.269 -14.267 0.358 1.00 0.00 N ATOM 1531 CA GLY A 92 8.499 -14.585 -0.348 1.00 0.00 C ATOM 1532 C GLY A 92 9.408 -15.410 0.567 1.00 0.00 C ATOM 1533 O GLY A 92 9.024 -16.527 0.908 1.00 0.00 O ATOM 0 H GLY A 92 6.725 -15.096 0.597 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.276 -15.143 -1.257 1.00 0.00 H new ATOM 0 HA3 GLY A 92 9.005 -13.669 -0.652 1.00 0.00 H new ATOM 1537 N PRO A 93 10.573 -14.902 1.003 1.00 0.00 N ATOM 1538 CA PRO A 93 11.130 -13.595 0.677 1.00 0.00 C ATOM 1539 C PRO A 93 11.606 -13.561 -0.781 1.00 0.00 C ATOM 1540 O PRO A 93 11.761 -14.610 -1.404 1.00 0.00 O ATOM 1541 CB PRO A 93 12.286 -13.390 1.660 1.00 0.00 C ATOM 1542 CG PRO A 93 12.718 -14.801 2.063 1.00 0.00 C ATOM 1543 CD PRO A 93 11.475 -15.665 1.850 1.00 0.00 C ATOM 0 HA PRO A 93 10.394 -12.797 0.768 1.00 0.00 H new ATOM 0 HB2 PRO A 93 13.107 -12.844 1.196 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.968 -12.812 2.528 1.00 0.00 H new ATOM 0 HG2 PRO A 93 13.551 -15.149 1.453 1.00 0.00 H new ATOM 0 HG3 PRO A 93 13.048 -14.832 3.101 1.00 0.00 H new ATOM 0 HD2 PRO A 93 11.739 -16.612 1.379 1.00 0.00 H new ATOM 0 HD3 PRO A 93 11.002 -15.903 2.803 1.00 0.00 H new ATOM 1551 N VAL A 94 11.797 -12.360 -1.334 1.00 0.00 N ATOM 1552 CA VAL A 94 12.193 -12.143 -2.720 1.00 0.00 C ATOM 1553 C VAL A 94 13.596 -11.503 -2.707 1.00 0.00 C ATOM 1554 O VAL A 94 13.832 -10.551 -1.962 1.00 0.00 O ATOM 1555 CB VAL A 94 11.114 -11.281 -3.412 1.00 0.00 C ATOM 1556 CG1 VAL A 94 11.497 -10.709 -4.786 1.00 0.00 C ATOM 1557 CG2 VAL A 94 9.820 -12.086 -3.579 1.00 0.00 C ATOM 0 H VAL A 94 11.676 -11.492 -0.813 1.00 0.00 H new ATOM 0 HA VAL A 94 12.261 -13.067 -3.293 1.00 0.00 H new ATOM 0 HB VAL A 94 10.990 -10.427 -2.746 1.00 0.00 H new ATOM 0 HG11 VAL A 94 10.668 -10.121 -5.180 1.00 0.00 H new ATOM 0 HG12 VAL A 94 12.376 -10.073 -4.683 1.00 0.00 H new ATOM 0 HG13 VAL A 94 11.720 -11.527 -5.471 1.00 0.00 H new ATOM 0 HG21 VAL A 94 9.067 -11.468 -4.068 1.00 0.00 H new ATOM 0 HG22 VAL A 94 10.016 -12.968 -4.188 1.00 0.00 H new ATOM 0 HG23 VAL A 94 9.455 -12.395 -2.600 1.00 0.00 H new ATOM 1567 N PRO A 95 14.559 -12.030 -3.483 1.00 0.00 N ATOM 1568 CA PRO A 95 15.902 -11.467 -3.557 1.00 0.00 C ATOM 1569 C PRO A 95 15.902 -10.125 -4.310 1.00 0.00 C ATOM 1570 O PRO A 95 14.911 -9.779 -4.952 1.00 0.00 O ATOM 1571 CB PRO A 95 16.751 -12.536 -4.253 1.00 0.00 C ATOM 1572 CG PRO A 95 15.755 -13.390 -5.038 1.00 0.00 C ATOM 1573 CD PRO A 95 14.433 -13.228 -4.295 1.00 0.00 C ATOM 0 HA PRO A 95 16.307 -11.234 -2.572 1.00 0.00 H new ATOM 0 HB2 PRO A 95 17.489 -12.083 -4.915 1.00 0.00 H new ATOM 0 HB3 PRO A 95 17.299 -13.137 -3.528 1.00 0.00 H new ATOM 0 HG2 PRO A 95 15.672 -13.052 -6.071 1.00 0.00 H new ATOM 0 HG3 PRO A 95 16.067 -14.434 -5.068 1.00 0.00 H new ATOM 0 HD2 PRO A 95 13.603 -13.136 -4.996 1.00 0.00 H new ATOM 0 HD3 PRO A 95 14.229 -14.099 -3.672 1.00 0.00 H new ATOM 1581 N PRO A 96 16.994 -9.344 -4.238 1.00 0.00 N ATOM 1582 CA PRO A 96 17.083 -8.071 -4.939 1.00 0.00 C ATOM 1583 C PRO A 96 17.149 -8.281 -6.459 1.00 0.00 C ATOM 1584 O PRO A 96 17.518 -9.364 -6.912 1.00 0.00 O ATOM 1585 CB PRO A 96 18.326 -7.373 -4.381 1.00 0.00 C ATOM 1586 CG PRO A 96 19.188 -8.502 -3.816 1.00 0.00 C ATOM 1587 CD PRO A 96 18.201 -9.620 -3.476 1.00 0.00 C ATOM 0 HA PRO A 96 16.199 -7.453 -4.779 1.00 0.00 H new ATOM 0 HB2 PRO A 96 18.855 -6.824 -5.160 1.00 0.00 H new ATOM 0 HB3 PRO A 96 18.061 -6.652 -3.607 1.00 0.00 H new ATOM 0 HG2 PRO A 96 19.928 -8.836 -4.544 1.00 0.00 H new ATOM 0 HG3 PRO A 96 19.735 -8.176 -2.932 1.00 0.00 H new ATOM 0 HD2 PRO A 96 18.612 -10.595 -3.738 1.00 0.00 H new ATOM 0 HD3 PRO A 96 17.990 -9.640 -2.407 1.00 0.00 H new ATOM 1595 N PRO A 97 16.802 -7.260 -7.264 1.00 0.00 N ATOM 1596 CA PRO A 97 16.845 -7.359 -8.711 1.00 0.00 C ATOM 1597 C PRO A 97 18.296 -7.359 -9.196 1.00 0.00 C ATOM 1598 O PRO A 97 18.585 -8.145 -10.125 1.00 0.00 O ATOM 1599 CB PRO A 97 16.058 -6.153 -9.235 1.00 0.00 C ATOM 1600 CG PRO A 97 16.131 -5.118 -8.112 1.00 0.00 C ATOM 1601 CD PRO A 97 16.405 -5.926 -6.841 1.00 0.00 C ATOM 1602 OXT PRO A 97 19.087 -6.562 -8.643 1.00 0.00 O ATOM 0 HA PRO A 97 16.405 -8.287 -9.078 1.00 0.00 H new ATOM 0 HB2 PRO A 97 16.493 -5.767 -10.157 1.00 0.00 H new ATOM 0 HB3 PRO A 97 15.025 -6.422 -9.458 1.00 0.00 H new ATOM 0 HG2 PRO A 97 16.923 -4.392 -8.296 1.00 0.00 H new ATOM 0 HG3 PRO A 97 15.199 -4.559 -8.030 1.00 0.00 H new ATOM 0 HD2 PRO A 97 17.192 -5.459 -6.249 1.00 0.00 H new ATOM 0 HD3 PRO A 97 15.516 -5.969 -6.212 1.00 0.00 H new