USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 630 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 1 SER N :NH3+ -114:sc= 0.352 (180deg=0.0118) USER MOD Single : A 1 SER OG : rot 180:sc= 0.101 USER MOD Single : A 2 LYS NZ :NH3+ 166:sc= -0.04 (180deg=-0.986) USER MOD Single : A 5 LYS NZ :NH3+ -120:sc= 1.27 (180deg=-0.0904) USER MOD Single : A 7 THR OG1 : rot 94:sc= 0.246 USER MOD Single : A 8 THR OG1 : rot 50:sc= 1.09 USER MOD Single : A 9 ASN : amide:sc= 0.808 K(o=0.81,f=-0.19) USER MOD Single : A 11 THR OG1 : rot 129:sc= -3.02! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 30:sc= -0.637 USER MOD Single : A 23 SER OG : rot 180:sc= 0.0351 USER MOD Single : A 24 THR OG1 : rot -160:sc= -0.449 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -163:sc= -0.0687 (180deg=-0.372) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -136:sc= 1.25 (180deg=1.08) USER MOD Single : A 50 ASN : amide:sc= 1.32 K(o=1.3,f=-0.74) USER MOD Single : A 55 LYS NZ :NH3+ -164:sc= 0.362 (180deg=-0.029) USER MOD Single : A 57 LYS NZ :NH3+ 159:sc= 2.31 (180deg=1.49) USER MOD Single : A 59 LYS NZ :NH3+ -115:sc= 0.178 (180deg=-0.0378) USER MOD Single : A 66 LYS NZ :NH3+ -175:sc= 0.911 (180deg=0.891) USER MOD Single : A 69 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 5.901 23.968 13.117 1.00 15.00 N ATOM 2 CA SER A 1 5.592 22.642 12.612 1.00 15.00 C ATOM 3 C SER A 1 6.418 22.456 11.356 1.00 15.00 C ATOM 4 O SER A 1 7.329 23.244 11.125 1.00 15.00 O ATOM 5 CB SER A 1 4.120 22.606 12.273 1.00 15.00 C ATOM 6 OG SER A 1 3.364 23.192 13.320 1.00 15.00 O ATOM 0 H1 SER A 1 6.390 23.886 14.031 1.00 15.00 H new ATOM 0 H2 SER A 1 6.515 24.463 12.439 1.00 15.00 H new ATOM 0 H3 SER A 1 5.020 24.505 13.243 1.00 15.00 H new ATOM 0 HA SER A 1 5.813 21.857 13.335 1.00 15.00 H new ATOM 0 HB2 SER A 1 3.940 23.141 11.341 1.00 15.00 H new ATOM 0 HB3 SER A 1 3.800 21.576 12.116 1.00 15.00 H new ATOM 0 HG SER A 1 2.412 23.166 13.090 1.00 15.00 H new ATOM 12 N LYS A 2 6.135 21.454 10.550 1.00 15.00 N ATOM 13 CA LYS A 2 6.785 21.260 9.286 1.00 15.00 C ATOM 14 C LYS A 2 5.723 20.666 8.454 1.00 15.00 C ATOM 15 O LYS A 2 4.874 20.023 9.021 1.00 15.00 O ATOM 16 CB LYS A 2 7.862 20.182 9.378 1.00 15.00 C ATOM 17 CG LYS A 2 9.009 20.426 10.324 1.00 15.00 C ATOM 18 CD LYS A 2 9.953 19.259 10.227 1.00 15.00 C ATOM 19 CE LYS A 2 11.035 19.297 11.258 1.00 15.00 C ATOM 20 NZ LYS A 2 11.683 17.984 11.340 1.00 15.00 N ATOM 0 H LYS A 2 5.435 20.744 10.765 1.00 15.00 H new ATOM 0 HA LYS A 2 7.231 22.188 8.927 1.00 15.00 H new ATOM 0 HB2 LYS A 2 7.380 19.248 9.667 1.00 15.00 H new ATOM 0 HB3 LYS A 2 8.274 20.032 8.380 1.00 15.00 H new ATOM 0 HG2 LYS A 2 9.522 21.353 10.068 1.00 15.00 H new ATOM 0 HG3 LYS A 2 8.643 20.536 11.345 1.00 15.00 H new ATOM 0 HD2 LYS A 2 9.389 18.332 10.334 1.00 15.00 H new ATOM 0 HD3 LYS A 2 10.404 19.245 9.235 1.00 15.00 H new ATOM 0 HE2 LYS A 2 11.769 20.061 11.001 1.00 15.00 H new ATOM 0 HE3 LYS A 2 10.618 19.569 12.228 1.00 15.00 H new ATOM 0 HZ1 LYS A 2 12.573 18.069 11.871 1.00 15.00 H new ATOM 0 HZ2 LYS A 2 11.052 17.315 11.826 1.00 15.00 H new ATOM 0 HZ3 LYS A 2 11.884 17.635 10.381 1.00 15.00 H new ATOM 34 N TRP A 3 5.720 20.880 7.201 1.00 15.00 N ATOM 35 CA TRP A 3 4.854 20.123 6.314 1.00 15.00 C ATOM 36 C TRP A 3 5.735 19.628 5.218 1.00 15.00 C ATOM 37 O TRP A 3 6.187 20.354 4.379 1.00 15.00 O ATOM 38 CB TRP A 3 3.592 20.856 5.858 1.00 15.00 C ATOM 39 CG TRP A 3 2.747 20.183 4.809 1.00 15.00 C ATOM 40 CD1 TRP A 3 1.748 19.278 5.002 1.00 15.00 C ATOM 41 CD2 TRP A 3 2.806 20.416 3.391 1.00 15.00 C ATOM 42 NE1 TRP A 3 1.192 18.933 3.791 1.00 15.00 N ATOM 43 CE2 TRP A 3 1.829 19.611 2.794 1.00 15.00 C ATOM 44 CE3 TRP A 3 3.602 21.225 2.572 1.00 15.00 C ATOM 45 CZ2 TRP A 3 1.617 19.587 1.417 1.00 15.00 C ATOM 46 CZ3 TRP A 3 3.392 21.201 1.208 1.00 15.00 C ATOM 47 CH2 TRP A 3 2.406 20.386 0.642 1.00 15.00 C ATOM 0 H TRP A 3 6.304 21.575 6.736 1.00 15.00 H new ATOM 0 HA TRP A 3 4.401 19.285 6.844 1.00 15.00 H new ATOM 0 HB2 TRP A 3 2.967 21.031 6.734 1.00 15.00 H new ATOM 0 HB3 TRP A 3 3.888 21.834 5.478 1.00 15.00 H new ATOM 0 HD1 TRP A 3 1.438 18.889 5.961 1.00 15.00 H new ATOM 0 HE1 TRP A 3 0.424 18.274 3.660 1.00 15.00 H new ATOM 0 HE3 TRP A 3 4.367 21.857 3.000 1.00 15.00 H new ATOM 0 HZ2 TRP A 3 0.856 18.959 0.979 1.00 15.00 H new ATOM 0 HZ3 TRP A 3 3.999 21.822 0.567 1.00 15.00 H new ATOM 0 HH2 TRP A 3 2.267 20.389 -0.429 1.00 15.00 H new ATOM 58 N ILE A 4 6.021 18.384 5.307 1.00 15.00 N ATOM 59 CA ILE A 4 6.886 17.712 4.398 1.00 15.00 C ATOM 60 C ILE A 4 6.052 16.635 3.766 1.00 15.00 C ATOM 61 O ILE A 4 5.039 16.242 4.336 1.00 15.00 O ATOM 62 CB ILE A 4 8.059 17.035 5.171 1.00 15.00 C ATOM 63 CG1 ILE A 4 7.515 15.959 6.146 1.00 15.00 C ATOM 64 CG2 ILE A 4 8.880 18.080 5.916 1.00 15.00 C ATOM 65 CD1 ILE A 4 8.563 15.139 6.856 1.00 15.00 C ATOM 0 H ILE A 4 5.649 17.779 6.039 1.00 15.00 H new ATOM 0 HA ILE A 4 7.306 18.406 3.669 1.00 15.00 H new ATOM 0 HB ILE A 4 8.712 16.542 4.451 1.00 15.00 H new ATOM 0 HG12 ILE A 4 6.895 16.452 6.895 1.00 15.00 H new ATOM 0 HG13 ILE A 4 6.866 15.284 5.589 1.00 15.00 H new ATOM 0 HG21 ILE A 4 9.694 17.590 6.450 1.00 15.00 H new ATOM 0 HG22 ILE A 4 9.292 18.795 5.204 1.00 15.00 H new ATOM 0 HG23 ILE A 4 8.242 18.604 6.628 1.00 15.00 H new ATOM 0 HD11 ILE A 4 8.077 14.417 7.513 1.00 15.00 H new ATOM 0 HD12 ILE A 4 9.170 14.610 6.122 1.00 15.00 H new ATOM 0 HD13 ILE A 4 9.200 15.796 7.448 1.00 15.00 H new ATOM 77 N LYS A 5 6.385 16.201 2.593 1.00 15.00 N ATOM 78 CA LYS A 5 5.650 15.144 1.965 1.00 15.00 C ATOM 79 C LYS A 5 6.365 13.792 2.277 1.00 15.00 C ATOM 80 O LYS A 5 7.140 13.715 3.242 1.00 15.00 O ATOM 81 CB LYS A 5 5.650 15.465 0.443 1.00 15.00 C ATOM 82 CG LYS A 5 4.511 14.839 -0.352 1.00 15.00 C ATOM 83 CD LYS A 5 4.593 15.185 -1.824 1.00 15.00 C ATOM 84 CE LYS A 5 3.335 14.731 -2.544 1.00 15.00 C ATOM 85 NZ LYS A 5 3.423 14.902 -4.010 1.00 15.00 N ATOM 0 H LYS A 5 7.166 16.563 2.045 1.00 15.00 H new ATOM 0 HA LYS A 5 4.624 15.061 2.324 1.00 15.00 H new ATOM 0 HB2 LYS A 5 5.609 16.547 0.316 1.00 15.00 H new ATOM 0 HB3 LYS A 5 6.596 15.130 0.017 1.00 15.00 H new ATOM 0 HG2 LYS A 5 4.537 13.756 -0.232 1.00 15.00 H new ATOM 0 HG3 LYS A 5 3.557 15.182 0.049 1.00 15.00 H new ATOM 0 HD2 LYS A 5 4.721 16.261 -1.945 1.00 15.00 H new ATOM 0 HD3 LYS A 5 5.467 14.708 -2.268 1.00 15.00 H new ATOM 0 HE2 LYS A 5 3.149 13.682 -2.315 1.00 15.00 H new ATOM 0 HE3 LYS A 5 2.482 15.295 -2.167 1.00 15.00 H new ATOM 0 HZ1 LYS A 5 2.668 15.541 -4.331 1.00 15.00 H new ATOM 0 HZ2 LYS A 5 4.348 15.307 -4.257 1.00 15.00 H new ATOM 0 HZ3 LYS A 5 3.314 13.978 -4.474 1.00 15.00 H new ATOM 99 N PHE A 6 6.149 12.784 1.418 1.00 15.00 N ATOM 100 CA PHE A 6 6.725 11.423 1.567 1.00 15.00 C ATOM 101 C PHE A 6 6.144 10.533 0.404 1.00 15.00 C ATOM 102 O PHE A 6 5.737 11.035 -0.659 1.00 15.00 O ATOM 103 CB PHE A 6 6.704 10.840 3.049 1.00 15.00 C ATOM 104 CG PHE A 6 7.365 9.493 3.326 1.00 15.00 C ATOM 105 CD1 PHE A 6 8.737 9.361 3.305 1.00 15.00 C ATOM 106 CD2 PHE A 6 6.595 8.369 3.612 1.00 15.00 C ATOM 107 CE1 PHE A 6 9.341 8.140 3.560 1.00 15.00 C ATOM 108 CE2 PHE A 6 7.190 7.147 3.870 1.00 15.00 C ATOM 109 CZ PHE A 6 8.565 7.032 3.843 1.00 15.00 C ATOM 0 H PHE A 6 5.564 12.884 0.588 1.00 15.00 H new ATOM 0 HA PHE A 6 7.807 11.444 1.438 1.00 15.00 H new ATOM 0 HB2 PHE A 6 7.176 11.577 3.699 1.00 15.00 H new ATOM 0 HB3 PHE A 6 5.661 10.764 3.357 1.00 15.00 H new ATOM 0 HD1 PHE A 6 9.351 10.222 3.086 1.00 15.00 H new ATOM 0 HD2 PHE A 6 5.518 8.452 3.633 1.00 15.00 H new ATOM 0 HE1 PHE A 6 10.417 8.054 3.538 1.00 15.00 H new ATOM 0 HE2 PHE A 6 6.579 6.284 4.092 1.00 15.00 H new ATOM 0 HZ PHE A 6 9.033 6.079 4.042 1.00 15.00 H new ATOM 119 N THR A 7 6.195 9.286 0.634 1.00 15.00 N ATOM 120 CA THR A 7 5.897 8.235 -0.244 1.00 15.00 C ATOM 121 C THR A 7 4.442 7.828 0.007 1.00 15.00 C ATOM 122 O THR A 7 4.043 7.658 1.149 1.00 15.00 O ATOM 123 CB THR A 7 6.795 7.061 0.219 1.00 15.00 C ATOM 124 OG1 THR A 7 8.136 7.590 0.331 1.00 15.00 O ATOM 125 CG2 THR A 7 6.802 5.974 -0.842 1.00 15.00 C ATOM 0 H THR A 7 6.480 8.937 1.549 1.00 15.00 H new ATOM 0 HA THR A 7 6.048 8.498 -1.291 1.00 15.00 H new ATOM 0 HB THR A 7 6.435 6.644 1.159 1.00 15.00 H new ATOM 0 HG1 THR A 7 8.298 7.879 1.253 1.00 15.00 H new ATOM 0 HG21 THR A 7 7.435 5.149 -0.514 1.00 15.00 H new ATOM 0 HG22 THR A 7 5.786 5.612 -0.999 1.00 15.00 H new ATOM 0 HG23 THR A 7 7.191 6.380 -1.776 1.00 15.00 H new ATOM 133 N THR A 8 3.676 7.651 -1.039 1.00 15.00 N ATOM 134 CA THR A 8 2.238 7.411 -0.939 1.00 15.00 C ATOM 135 C THR A 8 2.045 5.997 -1.471 1.00 15.00 C ATOM 136 O THR A 8 1.884 5.791 -2.680 1.00 15.00 O ATOM 137 CB THR A 8 1.542 8.443 -1.890 1.00 15.00 C ATOM 138 OG1 THR A 8 2.098 8.331 -3.215 1.00 15.00 O ATOM 139 CG2 THR A 8 1.789 9.858 -1.421 1.00 15.00 C ATOM 0 H THR A 8 4.025 7.667 -1.997 1.00 15.00 H new ATOM 0 HA THR A 8 1.832 7.514 0.067 1.00 15.00 H new ATOM 0 HB THR A 8 0.473 8.228 -1.888 1.00 15.00 H new ATOM 0 HG1 THR A 8 2.098 7.391 -3.492 1.00 15.00 H new ATOM 0 HG21 THR A 8 1.296 10.557 -2.097 1.00 15.00 H new ATOM 0 HG22 THR A 8 1.389 9.983 -0.415 1.00 15.00 H new ATOM 0 HG23 THR A 8 2.861 10.057 -1.412 1.00 15.00 H new ATOM 147 N ASN A 9 2.125 5.025 -0.622 1.00 15.00 N ATOM 148 CA ASN A 9 2.324 3.702 -1.120 1.00 15.00 C ATOM 149 C ASN A 9 2.025 2.604 -0.140 1.00 15.00 C ATOM 150 O ASN A 9 0.960 1.977 -0.162 1.00 15.00 O ATOM 151 CB ASN A 9 3.869 3.623 -1.409 1.00 15.00 C ATOM 152 CG ASN A 9 4.316 2.316 -2.036 1.00 15.00 C ATOM 153 OD1 ASN A 9 3.578 1.688 -2.791 1.00 15.00 O ATOM 154 ND2 ASN A 9 5.487 1.875 -1.668 1.00 15.00 N ATOM 0 H ASN A 9 2.058 5.115 0.392 1.00 15.00 H new ATOM 0 HA ASN A 9 1.657 3.551 -1.968 1.00 15.00 H new ATOM 0 HB2 ASN A 9 4.147 4.444 -2.070 1.00 15.00 H new ATOM 0 HB3 ASN A 9 4.410 3.769 -0.474 1.00 15.00 H new ATOM 0 HD21 ASN A 9 5.823 0.974 -2.009 1.00 15.00 H new ATOM 0 HD22 ASN A 9 6.067 2.431 -1.039 1.00 15.00 H new ATOM 161 N LEU A 10 2.941 2.418 0.750 1.00 15.00 N ATOM 162 CA LEU A 10 2.990 1.291 1.578 1.00 15.00 C ATOM 163 C LEU A 10 2.799 1.669 3.016 1.00 15.00 C ATOM 164 O LEU A 10 3.557 2.438 3.584 1.00 15.00 O ATOM 165 CB LEU A 10 4.365 0.619 1.327 1.00 15.00 C ATOM 166 CG LEU A 10 4.643 -0.724 1.988 1.00 15.00 C ATOM 167 CD1 LEU A 10 3.674 -1.781 1.479 1.00 15.00 C ATOM 168 CD2 LEU A 10 6.069 -1.164 1.702 1.00 15.00 C ATOM 0 H LEU A 10 3.699 3.080 0.916 1.00 15.00 H new ATOM 0 HA LEU A 10 2.183 0.595 1.349 1.00 15.00 H new ATOM 0 HB2 LEU A 10 4.481 0.490 0.251 1.00 15.00 H new ATOM 0 HB3 LEU A 10 5.139 1.315 1.650 1.00 15.00 H new ATOM 0 HG LEU A 10 4.509 -0.609 3.064 1.00 15.00 H new ATOM 0 HD11 LEU A 10 3.888 -2.734 1.963 1.00 15.00 H new ATOM 0 HD12 LEU A 10 2.652 -1.479 1.709 1.00 15.00 H new ATOM 0 HD13 LEU A 10 3.786 -1.888 0.400 1.00 15.00 H new ATOM 0 HD21 LEU A 10 6.256 -2.126 2.180 1.00 15.00 H new ATOM 0 HD22 LEU A 10 6.211 -1.260 0.626 1.00 15.00 H new ATOM 0 HD23 LEU A 10 6.764 -0.422 2.095 1.00 15.00 H new ATOM 180 N THR A 11 1.650 1.265 3.514 1.00 15.00 N ATOM 181 CA THR A 11 1.318 1.287 4.877 1.00 15.00 C ATOM 182 C THR A 11 2.490 0.876 5.756 1.00 15.00 C ATOM 183 O THR A 11 2.862 1.638 6.653 1.00 15.00 O ATOM 184 CB THR A 11 -0.035 0.538 5.137 1.00 15.00 C ATOM 185 OG1 THR A 11 -0.064 -0.720 4.445 1.00 15.00 O ATOM 186 CG2 THR A 11 -1.193 1.368 4.615 1.00 15.00 C ATOM 0 H THR A 11 0.900 0.898 2.928 1.00 15.00 H new ATOM 0 HA THR A 11 1.124 2.315 5.184 1.00 15.00 H new ATOM 0 HB THR A 11 -0.121 0.377 6.212 1.00 15.00 H new ATOM 0 HG1 THR A 11 -0.313 -1.432 5.071 1.00 15.00 H new ATOM 0 HG21 THR A 11 -2.130 0.842 4.799 1.00 15.00 H new ATOM 0 HG22 THR A 11 -1.211 2.330 5.127 1.00 15.00 H new ATOM 0 HG23 THR A 11 -1.071 1.529 3.544 1.00 15.00 H new ATOM 194 N PRO A 12 3.160 -0.276 5.539 1.00 15.00 N ATOM 195 CA PRO A 12 4.359 -0.493 6.236 1.00 15.00 C ATOM 196 C PRO A 12 5.614 0.158 5.547 1.00 15.00 C ATOM 197 O PRO A 12 6.581 -0.514 5.210 1.00 15.00 O ATOM 198 CB PRO A 12 4.471 -1.996 6.444 1.00 15.00 C ATOM 199 CG PRO A 12 3.371 -2.598 5.617 1.00 15.00 C ATOM 200 CD PRO A 12 2.744 -1.482 4.817 1.00 15.00 C ATOM 0 HA PRO A 12 4.338 0.014 7.201 1.00 15.00 H new ATOM 0 HB2 PRO A 12 5.447 -2.364 6.127 1.00 15.00 H new ATOM 0 HB3 PRO A 12 4.358 -2.256 7.496 1.00 15.00 H new ATOM 0 HG2 PRO A 12 3.766 -3.369 4.956 1.00 15.00 H new ATOM 0 HG3 PRO A 12 2.628 -3.076 6.256 1.00 15.00 H new ATOM 0 HD2 PRO A 12 3.099 -1.477 3.787 1.00 15.00 H new ATOM 0 HD3 PRO A 12 1.659 -1.574 4.780 1.00 15.00 H new ATOM 208 N GLU A 13 5.536 1.458 5.350 1.00 15.00 N ATOM 209 CA GLU A 13 6.602 2.314 4.790 1.00 15.00 C ATOM 210 C GLU A 13 6.435 3.666 5.430 1.00 15.00 C ATOM 211 O GLU A 13 7.393 4.203 5.994 1.00 15.00 O ATOM 212 CB GLU A 13 6.580 2.353 3.282 1.00 15.00 C ATOM 213 CG GLU A 13 7.644 3.193 2.627 1.00 15.00 C ATOM 214 CD GLU A 13 7.521 3.145 1.126 1.00 15.00 C ATOM 215 OE1 GLU A 13 6.385 3.166 0.604 1.00 15.00 O ATOM 216 OE2 GLU A 13 8.556 3.062 0.451 1.00 15.00 O ATOM 0 H GLU A 13 4.695 1.987 5.582 1.00 15.00 H new ATOM 0 HA GLU A 13 7.589 1.912 5.018 1.00 15.00 H new ATOM 0 HB2 GLU A 13 6.671 1.332 2.911 1.00 15.00 H new ATOM 0 HB3 GLU A 13 5.606 2.722 2.962 1.00 15.00 H new ATOM 0 HG2 GLU A 13 7.560 4.224 2.970 1.00 15.00 H new ATOM 0 HG3 GLU A 13 8.630 2.837 2.926 1.00 15.00 H new ATOM 223 N GLU A 14 5.210 4.198 5.424 1.00 15.00 N ATOM 224 CA GLU A 14 4.825 5.310 6.321 1.00 15.00 C ATOM 225 C GLU A 14 4.941 4.865 7.832 1.00 15.00 C ATOM 226 O GLU A 14 4.637 5.607 8.765 1.00 15.00 O ATOM 227 CB GLU A 14 3.384 5.770 5.965 1.00 15.00 C ATOM 228 CG GLU A 14 3.218 6.283 4.507 1.00 15.00 C ATOM 229 CD GLU A 14 1.793 6.775 4.154 1.00 15.00 C ATOM 230 OE1 GLU A 14 0.933 5.932 3.752 1.00 15.00 O ATOM 231 OE2 GLU A 14 1.525 8.008 4.258 1.00 15.00 O ATOM 0 H GLU A 14 4.460 3.881 4.809 1.00 15.00 H new ATOM 0 HA GLU A 14 5.503 6.152 6.182 1.00 15.00 H new ATOM 0 HB2 GLU A 14 2.699 4.937 6.125 1.00 15.00 H new ATOM 0 HB3 GLU A 14 3.088 6.562 6.652 1.00 15.00 H new ATOM 0 HG2 GLU A 14 3.921 7.099 4.341 1.00 15.00 H new ATOM 0 HG3 GLU A 14 3.492 5.482 3.821 1.00 15.00 H new ATOM 238 N ALA A 15 5.355 3.623 8.016 1.00 15.00 N ATOM 239 CA ALA A 15 5.681 3.026 9.284 1.00 15.00 C ATOM 240 C ALA A 15 7.215 3.060 9.480 1.00 15.00 C ATOM 241 O ALA A 15 7.687 3.413 10.555 1.00 15.00 O ATOM 242 CB ALA A 15 5.163 1.601 9.358 1.00 15.00 C ATOM 0 H ALA A 15 5.477 2.975 7.237 1.00 15.00 H new ATOM 0 HA ALA A 15 5.202 3.593 10.082 1.00 15.00 H new ATOM 0 HB1 ALA A 15 5.421 1.170 10.325 1.00 15.00 H new ATOM 0 HB2 ALA A 15 4.080 1.601 9.238 1.00 15.00 H new ATOM 0 HB3 ALA A 15 5.616 1.008 8.564 1.00 15.00 H new ATOM 248 N LYS A 16 7.985 2.755 8.416 1.00 15.00 N ATOM 249 CA LYS A 16 9.465 2.721 8.490 1.00 15.00 C ATOM 250 C LYS A 16 10.059 4.079 8.869 1.00 15.00 C ATOM 251 O LYS A 16 11.076 4.144 9.578 1.00 15.00 O ATOM 252 CB LYS A 16 10.096 2.214 7.192 1.00 15.00 C ATOM 253 CG LYS A 16 9.731 0.778 6.838 1.00 15.00 C ATOM 254 CD LYS A 16 10.473 0.292 5.593 1.00 15.00 C ATOM 255 CE LYS A 16 11.974 0.151 5.853 1.00 15.00 C ATOM 256 NZ LYS A 16 12.719 -0.298 4.659 1.00 15.00 N ATOM 0 H LYS A 16 7.610 2.529 7.495 1.00 15.00 H new ATOM 0 HA LYS A 16 9.706 2.014 9.284 1.00 15.00 H new ATOM 0 HB2 LYS A 16 9.791 2.867 6.374 1.00 15.00 H new ATOM 0 HB3 LYS A 16 11.180 2.292 7.274 1.00 15.00 H new ATOM 0 HG2 LYS A 16 9.967 0.126 7.679 1.00 15.00 H new ATOM 0 HG3 LYS A 16 8.656 0.707 6.671 1.00 15.00 H new ATOM 0 HD2 LYS A 16 10.066 -0.669 5.277 1.00 15.00 H new ATOM 0 HD3 LYS A 16 10.309 0.992 4.774 1.00 15.00 H new ATOM 0 HE2 LYS A 16 12.373 1.109 6.186 1.00 15.00 H new ATOM 0 HE3 LYS A 16 12.133 -0.560 6.664 1.00 15.00 H new ATOM 0 HZ1 LYS A 16 13.730 -0.377 4.890 1.00 15.00 H new ATOM 0 HZ2 LYS A 16 12.360 -1.225 4.354 1.00 15.00 H new ATOM 0 HZ3 LYS A 16 12.592 0.392 3.891 1.00 15.00 H new ATOM 270 N ILE A 17 9.401 5.150 8.417 1.00 15.00 N ATOM 271 CA ILE A 17 9.758 6.535 8.715 1.00 15.00 C ATOM 272 C ILE A 17 9.822 6.795 10.221 1.00 15.00 C ATOM 273 O ILE A 17 10.614 7.584 10.685 1.00 15.00 O ATOM 274 CB ILE A 17 8.611 7.477 8.099 1.00 15.00 C ATOM 275 CG1 ILE A 17 9.029 8.960 8.083 1.00 15.00 C ATOM 276 CG2 ILE A 17 7.268 7.325 8.789 1.00 15.00 C ATOM 277 CD1 ILE A 17 10.174 9.275 7.138 1.00 15.00 C ATOM 0 H ILE A 17 8.581 5.072 7.816 1.00 15.00 H new ATOM 0 HA ILE A 17 10.740 6.741 8.289 1.00 15.00 H new ATOM 0 HB ILE A 17 8.487 7.134 7.072 1.00 15.00 H new ATOM 0 HG12 ILE A 17 8.166 9.566 7.805 1.00 15.00 H new ATOM 0 HG13 ILE A 17 9.314 9.256 9.092 1.00 15.00 H new ATOM 0 HG21 ILE A 17 6.542 7.990 8.322 1.00 15.00 H new ATOM 0 HG22 ILE A 17 6.927 6.294 8.698 1.00 15.00 H new ATOM 0 HG23 ILE A 17 7.370 7.582 9.843 1.00 15.00 H new ATOM 0 HD11 ILE A 17 10.405 10.339 7.188 1.00 15.00 H new ATOM 0 HD12 ILE A 17 11.053 8.699 7.427 1.00 15.00 H new ATOM 0 HD13 ILE A 17 9.888 9.013 6.119 1.00 15.00 H new ATOM 289 N VAL A 18 9.025 6.071 10.990 1.00 15.00 N ATOM 290 CA VAL A 18 9.004 6.256 12.415 1.00 15.00 C ATOM 291 C VAL A 18 10.334 5.814 13.022 1.00 15.00 C ATOM 292 O VAL A 18 10.824 6.430 13.940 1.00 15.00 O ATOM 293 CB VAL A 18 7.806 5.514 13.070 1.00 15.00 C ATOM 294 CG1 VAL A 18 7.815 5.655 14.592 1.00 15.00 C ATOM 295 CG2 VAL A 18 6.503 6.051 12.501 1.00 15.00 C ATOM 0 H VAL A 18 8.389 5.353 10.643 1.00 15.00 H new ATOM 0 HA VAL A 18 8.868 7.318 12.620 1.00 15.00 H new ATOM 0 HB VAL A 18 7.899 4.453 12.840 1.00 15.00 H new ATOM 0 HG11 VAL A 18 6.962 5.122 15.012 1.00 15.00 H new ATOM 0 HG12 VAL A 18 8.738 5.234 14.991 1.00 15.00 H new ATOM 0 HG13 VAL A 18 7.752 6.710 14.860 1.00 15.00 H new ATOM 0 HG21 VAL A 18 5.663 5.530 12.961 1.00 15.00 H new ATOM 0 HG22 VAL A 18 6.427 7.118 12.710 1.00 15.00 H new ATOM 0 HG23 VAL A 18 6.483 5.891 11.423 1.00 15.00 H new ATOM 305 N GLN A 19 10.908 4.730 12.493 1.00 15.00 N ATOM 306 CA GLN A 19 12.182 4.228 12.986 1.00 15.00 C ATOM 307 C GLN A 19 13.354 5.136 12.551 1.00 15.00 C ATOM 308 O GLN A 19 14.332 5.316 13.288 1.00 15.00 O ATOM 309 CB GLN A 19 12.429 2.798 12.535 1.00 15.00 C ATOM 310 CG GLN A 19 13.682 2.186 13.136 1.00 15.00 C ATOM 311 CD GLN A 19 13.946 0.807 12.621 1.00 15.00 C ATOM 312 OE1 GLN A 19 13.452 -0.172 13.165 1.00 15.00 O ATOM 313 NE2 GLN A 19 14.739 0.709 11.600 1.00 15.00 N ATOM 0 H GLN A 19 10.508 4.189 11.726 1.00 15.00 H new ATOM 0 HA GLN A 19 12.128 4.238 14.075 1.00 15.00 H new ATOM 0 HB2 GLN A 19 11.569 2.186 12.805 1.00 15.00 H new ATOM 0 HB3 GLN A 19 12.508 2.776 11.448 1.00 15.00 H new ATOM 0 HG2 GLN A 19 14.537 2.824 12.914 1.00 15.00 H new ATOM 0 HG3 GLN A 19 13.583 2.153 14.221 1.00 15.00 H new ATOM 0 HE21 GLN A 19 15.130 1.550 11.175 1.00 15.00 H new ATOM 0 HE22 GLN A 19 14.972 -0.209 11.221 1.00 15.00 H new ATOM 322 N TYR A 20 13.276 5.619 11.334 1.00 15.00 N ATOM 323 CA TYR A 20 14.358 6.481 10.817 1.00 15.00 C ATOM 324 C TYR A 20 14.511 7.751 11.670 1.00 15.00 C ATOM 325 O TYR A 20 15.607 8.061 12.169 1.00 15.00 O ATOM 326 CB TYR A 20 14.208 6.807 9.348 1.00 15.00 C ATOM 327 CG TYR A 20 14.200 5.623 8.413 1.00 15.00 C ATOM 328 CD1 TYR A 20 15.184 4.647 8.483 1.00 15.00 C ATOM 329 CD2 TYR A 20 13.217 5.497 7.442 1.00 15.00 C ATOM 330 CE1 TYR A 20 15.186 3.581 7.613 1.00 15.00 C ATOM 331 CE2 TYR A 20 13.216 4.437 6.565 1.00 15.00 C ATOM 332 CZ TYR A 20 14.204 3.483 6.655 1.00 15.00 C ATOM 333 OH TYR A 20 14.215 2.429 5.774 1.00 15.00 O ATOM 0 H TYR A 20 12.507 5.448 10.686 1.00 15.00 H new ATOM 0 HA TYR A 20 15.279 5.905 10.901 1.00 15.00 H new ATOM 0 HB2 TYR A 20 13.280 7.361 9.211 1.00 15.00 H new ATOM 0 HB3 TYR A 20 15.022 7.471 9.057 1.00 15.00 H new ATOM 0 HD1 TYR A 20 15.959 4.725 9.231 1.00 15.00 H new ATOM 0 HD2 TYR A 20 12.440 6.244 7.373 1.00 15.00 H new ATOM 0 HE1 TYR A 20 15.955 2.825 7.682 1.00 15.00 H new ATOM 0 HE2 TYR A 20 12.446 4.354 5.812 1.00 15.00 H new ATOM 0 HH TYR A 20 14.620 1.647 6.204 1.00 15.00 H new ATOM 343 N GLU A 21 13.412 8.416 11.871 1.00 15.00 N ATOM 344 CA GLU A 21 13.309 9.573 12.738 1.00 15.00 C ATOM 345 C GLU A 21 13.215 9.227 14.255 1.00 15.00 C ATOM 346 O GLU A 21 13.124 10.092 15.105 1.00 15.00 O ATOM 347 CB GLU A 21 12.194 10.500 12.250 1.00 15.00 C ATOM 348 CG GLU A 21 12.563 11.367 11.015 1.00 15.00 C ATOM 349 CD GLU A 21 12.924 10.601 9.740 1.00 15.00 C ATOM 350 OE1 GLU A 21 12.377 9.512 9.501 1.00 15.00 O ATOM 351 OE2 GLU A 21 13.775 11.103 8.972 1.00 15.00 O ATOM 0 H GLU A 21 12.529 8.167 11.426 1.00 15.00 H new ATOM 0 HA GLU A 21 14.251 10.116 12.664 1.00 15.00 H new ATOM 0 HB2 GLU A 21 11.320 9.897 12.005 1.00 15.00 H new ATOM 0 HB3 GLU A 21 11.906 11.161 13.068 1.00 15.00 H new ATOM 0 HG2 GLU A 21 11.723 12.025 10.794 1.00 15.00 H new ATOM 0 HG3 GLU A 21 13.405 12.005 11.283 1.00 15.00 H new ATOM 358 N LEU A 22 13.274 7.958 14.549 1.00 15.00 N ATOM 359 CA LEU A 22 13.279 7.439 15.934 1.00 15.00 C ATOM 360 C LEU A 22 14.649 7.758 16.506 1.00 15.00 C ATOM 361 O LEU A 22 14.735 8.168 17.636 1.00 15.00 O ATOM 362 CB LEU A 22 13.024 5.931 15.977 1.00 15.00 C ATOM 363 CG LEU A 22 12.911 5.271 17.349 1.00 15.00 C ATOM 364 CD1 LEU A 22 11.682 5.777 18.095 1.00 15.00 C ATOM 365 CD2 LEU A 22 12.857 3.759 17.186 1.00 15.00 C ATOM 0 H LEU A 22 13.321 7.226 13.840 1.00 15.00 H new ATOM 0 HA LEU A 22 12.481 7.902 16.514 1.00 15.00 H new ATOM 0 HB2 LEU A 22 12.102 5.731 15.431 1.00 15.00 H new ATOM 0 HB3 LEU A 22 13.830 5.439 15.433 1.00 15.00 H new ATOM 0 HG LEU A 22 13.789 5.533 17.939 1.00 15.00 H new ATOM 0 HD11 LEU A 22 11.623 5.292 19.070 1.00 15.00 H new ATOM 0 HD12 LEU A 22 11.757 6.856 18.230 1.00 15.00 H new ATOM 0 HD13 LEU A 22 10.786 5.545 17.519 1.00 15.00 H new ATOM 0 HD21 LEU A 22 12.776 3.290 18.167 1.00 15.00 H new ATOM 0 HD22 LEU A 22 11.991 3.489 16.582 1.00 15.00 H new ATOM 0 HD23 LEU A 22 13.765 3.414 16.692 1.00 15.00 H new ATOM 377 N SER A 23 15.713 7.545 15.752 1.00 15.00 N ATOM 378 CA SER A 23 17.062 7.999 16.138 1.00 15.00 C ATOM 379 C SER A 23 17.137 9.511 16.571 1.00 15.00 C ATOM 380 O SER A 23 17.948 9.890 17.411 1.00 15.00 O ATOM 381 CB SER A 23 17.947 7.739 14.943 1.00 15.00 C ATOM 382 OG SER A 23 17.758 6.387 14.495 1.00 15.00 O ATOM 0 H SER A 23 15.680 7.056 14.857 1.00 15.00 H new ATOM 0 HA SER A 23 17.382 7.452 17.025 1.00 15.00 H new ATOM 0 HB2 SER A 23 17.708 8.437 14.140 1.00 15.00 H new ATOM 0 HB3 SER A 23 18.992 7.904 15.207 1.00 15.00 H new ATOM 0 HG SER A 23 18.331 6.217 13.718 1.00 15.00 H new ATOM 388 N THR A 24 16.255 10.313 16.035 1.00 15.00 N ATOM 389 CA THR A 24 16.145 11.773 16.227 1.00 15.00 C ATOM 390 C THR A 24 15.529 12.153 17.671 1.00 15.00 C ATOM 391 O THR A 24 15.156 13.293 17.944 1.00 15.00 O ATOM 392 CB THR A 24 15.204 12.199 15.084 1.00 15.00 C ATOM 393 OG1 THR A 24 15.658 11.552 13.872 1.00 15.00 O ATOM 394 CG2 THR A 24 15.213 13.658 14.851 1.00 15.00 C ATOM 0 H THR A 24 15.535 9.959 15.405 1.00 15.00 H new ATOM 0 HA THR A 24 17.112 12.276 16.204 1.00 15.00 H new ATOM 0 HB THR A 24 14.190 11.911 15.360 1.00 15.00 H new ATOM 0 HG1 THR A 24 15.302 12.029 13.093 1.00 15.00 H new ATOM 0 HG21 THR A 24 14.532 13.900 14.035 1.00 15.00 H new ATOM 0 HG22 THR A 24 14.892 14.173 15.756 1.00 15.00 H new ATOM 0 HG23 THR A 24 16.221 13.978 14.589 1.00 15.00 H new ATOM 402 N ARG A 25 15.605 11.174 18.550 1.00 15.00 N ATOM 403 CA ARG A 25 14.897 11.060 19.870 1.00 15.00 C ATOM 404 C ARG A 25 14.556 12.403 20.622 1.00 15.00 C ATOM 405 O ARG A 25 13.420 12.871 20.562 1.00 15.00 O ATOM 406 CB ARG A 25 15.602 10.094 20.829 1.00 15.00 C ATOM 407 CG ARG A 25 15.996 8.775 20.208 1.00 15.00 C ATOM 408 CD ARG A 25 16.261 7.713 21.241 1.00 15.00 C ATOM 409 NE ARG A 25 15.002 7.283 21.842 1.00 15.00 N ATOM 410 CZ ARG A 25 14.733 6.063 22.306 1.00 15.00 C ATOM 411 NH1 ARG A 25 15.676 5.124 22.348 1.00 15.00 N ATOM 412 NH2 ARG A 25 13.520 5.789 22.725 1.00 15.00 N ATOM 0 H ARG A 25 16.199 10.363 18.376 1.00 15.00 H new ATOM 0 HA ARG A 25 13.930 10.658 19.567 1.00 15.00 H new ATOM 0 HB2 ARG A 25 16.496 10.579 21.221 1.00 15.00 H new ATOM 0 HB3 ARG A 25 14.946 9.901 21.678 1.00 15.00 H new ATOM 0 HG2 ARG A 25 15.203 8.439 19.540 1.00 15.00 H new ATOM 0 HG3 ARG A 25 16.888 8.916 19.598 1.00 15.00 H new ATOM 0 HD2 ARG A 25 16.764 6.863 20.781 1.00 15.00 H new ATOM 0 HD3 ARG A 25 16.929 8.100 22.011 1.00 15.00 H new ATOM 0 HE ARG A 25 14.261 7.980 21.913 1.00 15.00 H new ATOM 0 HH11 ARG A 25 16.620 5.334 22.022 1.00 15.00 H new ATOM 0 HH12 ARG A 25 15.455 4.195 22.706 1.00 15.00 H new ATOM 0 HH21 ARG A 25 12.795 6.506 22.693 1.00 15.00 H new ATOM 0 HH22 ARG A 25 13.302 4.859 23.082 1.00 15.00 H new ATOM 426 N ASP A 26 15.543 13.008 21.308 1.00 15.00 N ATOM 427 CA ASP A 26 15.329 14.222 22.218 1.00 15.00 C ATOM 428 C ASP A 26 15.007 15.546 21.480 1.00 15.00 C ATOM 429 O ASP A 26 15.127 16.629 22.059 1.00 15.00 O ATOM 430 CB ASP A 26 16.567 14.473 23.099 1.00 15.00 C ATOM 431 CG ASP A 26 16.950 13.332 24.007 1.00 15.00 C ATOM 432 OD1 ASP A 26 16.179 12.981 24.918 1.00 15.00 O ATOM 433 OD2 ASP A 26 18.068 12.796 23.851 1.00 15.00 O ATOM 0 H ASP A 26 16.514 12.697 21.270 1.00 15.00 H new ATOM 0 HA ASP A 26 14.454 13.954 22.810 1.00 15.00 H new ATOM 0 HB2 ASP A 26 17.414 14.701 22.452 1.00 15.00 H new ATOM 0 HB3 ASP A 26 16.385 15.357 23.710 1.00 15.00 H new ATOM 438 N GLU A 27 14.520 15.441 20.288 1.00 15.00 N ATOM 439 CA GLU A 27 14.364 16.584 19.356 1.00 15.00 C ATOM 440 C GLU A 27 13.201 16.363 18.415 1.00 15.00 C ATOM 441 O GLU A 27 12.434 17.282 18.142 1.00 15.00 O ATOM 442 CB GLU A 27 15.695 16.867 18.617 1.00 15.00 C ATOM 443 CG GLU A 27 16.823 17.295 19.581 1.00 15.00 C ATOM 444 CD GLU A 27 18.133 17.671 18.950 1.00 15.00 C ATOM 445 OE1 GLU A 27 18.932 16.768 18.623 1.00 15.00 O ATOM 446 OE2 GLU A 27 18.414 18.875 18.831 1.00 15.00 O ATOM 0 H GLU A 27 14.204 14.554 19.896 1.00 15.00 H new ATOM 0 HA GLU A 27 14.125 17.479 19.930 1.00 15.00 H new ATOM 0 HB2 GLU A 27 16.004 15.973 18.075 1.00 15.00 H new ATOM 0 HB3 GLU A 27 15.537 17.651 17.876 1.00 15.00 H new ATOM 0 HG2 GLU A 27 16.469 18.144 20.166 1.00 15.00 H new ATOM 0 HG3 GLU A 27 17.003 16.479 20.281 1.00 15.00 H new ATOM 453 N PHE A 28 13.082 15.175 17.965 1.00 15.00 N ATOM 454 CA PHE A 28 11.894 14.664 17.280 1.00 15.00 C ATOM 455 C PHE A 28 10.748 14.685 18.289 1.00 15.00 C ATOM 456 O PHE A 28 10.865 14.100 19.386 1.00 15.00 O ATOM 457 CB PHE A 28 12.230 13.224 16.887 1.00 15.00 C ATOM 458 CG PHE A 28 11.193 12.401 16.195 1.00 15.00 C ATOM 459 CD1 PHE A 28 10.858 12.629 14.882 1.00 15.00 C ATOM 460 CD2 PHE A 28 10.616 11.324 16.852 1.00 15.00 C ATOM 461 CE1 PHE A 28 9.959 11.804 14.234 1.00 15.00 C ATOM 462 CE2 PHE A 28 9.714 10.505 16.215 1.00 15.00 C ATOM 463 CZ PHE A 28 9.389 10.744 14.901 1.00 15.00 C ATOM 0 H PHE A 28 13.823 14.480 18.052 1.00 15.00 H new ATOM 0 HA PHE A 28 11.611 15.246 16.403 1.00 15.00 H new ATOM 0 HB2 PHE A 28 13.109 13.255 16.243 1.00 15.00 H new ATOM 0 HB3 PHE A 28 12.519 12.694 17.795 1.00 15.00 H new ATOM 0 HD1 PHE A 28 11.301 13.460 14.352 1.00 15.00 H new ATOM 0 HD2 PHE A 28 10.880 11.126 17.880 1.00 15.00 H new ATOM 0 HE1 PHE A 28 9.703 11.991 13.202 1.00 15.00 H new ATOM 0 HE2 PHE A 28 9.263 9.678 16.744 1.00 15.00 H new ATOM 0 HZ PHE A 28 8.687 10.100 14.392 1.00 15.00 H new ATOM 473 N TYR A 29 9.652 15.344 17.960 1.00 15.00 N ATOM 474 CA TYR A 29 8.615 15.511 18.939 1.00 15.00 C ATOM 475 C TYR A 29 7.225 15.087 18.411 1.00 15.00 C ATOM 476 O TYR A 29 6.976 13.901 18.248 1.00 15.00 O ATOM 477 CB TYR A 29 8.659 16.955 19.510 1.00 15.00 C ATOM 478 CG TYR A 29 7.805 17.203 20.738 1.00 15.00 C ATOM 479 CD1 TYR A 29 8.180 16.677 21.954 1.00 15.00 C ATOM 480 CD2 TYR A 29 6.658 17.993 20.687 1.00 15.00 C ATOM 481 CE1 TYR A 29 7.449 16.916 23.087 1.00 15.00 C ATOM 482 CE2 TYR A 29 5.912 18.234 21.825 1.00 15.00 C ATOM 483 CZ TYR A 29 6.316 17.691 23.025 1.00 15.00 C ATOM 484 OH TYR A 29 5.593 17.937 24.177 1.00 15.00 O ATOM 0 H TYR A 29 9.467 15.759 17.047 1.00 15.00 H new ATOM 0 HA TYR A 29 8.803 14.829 19.768 1.00 15.00 H new ATOM 0 HB2 TYR A 29 9.693 17.198 19.754 1.00 15.00 H new ATOM 0 HB3 TYR A 29 8.346 17.645 18.727 1.00 15.00 H new ATOM 0 HD1 TYR A 29 9.067 16.064 22.015 1.00 15.00 H new ATOM 0 HD2 TYR A 29 6.348 18.422 19.746 1.00 15.00 H new ATOM 0 HE1 TYR A 29 7.763 16.495 24.031 1.00 15.00 H new ATOM 0 HE2 TYR A 29 5.021 18.842 21.774 1.00 15.00 H new ATOM 0 HH TYR A 29 4.821 18.502 23.964 1.00 15.00 H new ATOM 494 N ARG A 30 6.318 16.050 18.222 1.00 15.00 N ATOM 495 CA ARG A 30 4.966 15.783 17.732 1.00 15.00 C ATOM 496 C ARG A 30 4.971 15.179 16.333 1.00 15.00 C ATOM 497 O ARG A 30 5.352 15.841 15.383 1.00 15.00 O ATOM 498 CB ARG A 30 4.199 17.110 17.660 1.00 15.00 C ATOM 499 CG ARG A 30 2.686 16.961 17.579 1.00 15.00 C ATOM 500 CD ARG A 30 2.076 16.618 18.943 1.00 15.00 C ATOM 501 NE ARG A 30 2.594 15.369 19.535 1.00 15.00 N ATOM 502 CZ ARG A 30 3.125 15.265 20.773 1.00 15.00 C ATOM 503 NH1 ARG A 30 3.129 16.316 21.604 1.00 15.00 N ATOM 504 NH2 ARG A 30 3.614 14.101 21.188 1.00 15.00 N ATOM 0 H ARG A 30 6.502 17.036 18.405 1.00 15.00 H new ATOM 0 HA ARG A 30 4.501 15.075 18.417 1.00 15.00 H new ATOM 0 HB2 ARG A 30 4.446 17.706 18.538 1.00 15.00 H new ATOM 0 HB3 ARG A 30 4.544 17.668 16.789 1.00 15.00 H new ATOM 0 HG2 ARG A 30 2.249 17.888 17.207 1.00 15.00 H new ATOM 0 HG3 ARG A 30 2.435 16.180 16.861 1.00 15.00 H new ATOM 0 HD2 ARG A 30 2.266 17.441 19.632 1.00 15.00 H new ATOM 0 HD3 ARG A 30 0.994 16.536 18.836 1.00 15.00 H new ATOM 0 HE ARG A 30 2.548 14.522 18.968 1.00 15.00 H new ATOM 0 HH11 ARG A 30 2.729 17.205 21.304 1.00 15.00 H new ATOM 0 HH12 ARG A 30 3.532 16.227 22.537 1.00 15.00 H new ATOM 0 HH21 ARG A 30 3.588 13.288 20.572 1.00 15.00 H new ATOM 0 HH22 ARG A 30 4.015 14.020 22.122 1.00 15.00 H new ATOM 518 N VAL A 31 4.486 13.970 16.213 1.00 15.00 N ATOM 519 CA VAL A 31 4.498 13.231 14.956 1.00 15.00 C ATOM 520 C VAL A 31 3.095 12.899 14.537 1.00 15.00 C ATOM 521 O VAL A 31 2.291 12.481 15.380 1.00 15.00 O ATOM 522 CB VAL A 31 5.202 11.856 15.171 1.00 15.00 C ATOM 523 CG1 VAL A 31 5.377 11.103 13.856 1.00 15.00 C ATOM 524 CG2 VAL A 31 6.522 12.024 15.863 1.00 15.00 C ATOM 0 H VAL A 31 4.065 13.457 16.988 1.00 15.00 H new ATOM 0 HA VAL A 31 5.005 13.846 14.212 1.00 15.00 H new ATOM 0 HB VAL A 31 4.554 11.260 15.813 1.00 15.00 H new ATOM 0 HG11 VAL A 31 5.871 10.150 14.045 1.00 15.00 H new ATOM 0 HG12 VAL A 31 4.400 10.923 13.407 1.00 15.00 H new ATOM 0 HG13 VAL A 31 5.985 11.698 13.174 1.00 15.00 H new ATOM 0 HG21 VAL A 31 6.988 11.048 15.999 1.00 15.00 H new ATOM 0 HG22 VAL A 31 7.172 12.656 15.258 1.00 15.00 H new ATOM 0 HG23 VAL A 31 6.366 12.490 16.836 1.00 15.00 H new ATOM 534 N PHE A 32 2.761 13.094 13.265 1.00 15.00 N ATOM 535 CA PHE A 32 1.518 12.616 12.706 1.00 15.00 C ATOM 536 C PHE A 32 1.856 12.151 11.290 1.00 15.00 C ATOM 537 O PHE A 32 2.263 12.954 10.458 1.00 15.00 O ATOM 538 CB PHE A 32 0.412 13.687 12.654 1.00 15.00 C ATOM 539 CG PHE A 32 -0.045 14.206 13.987 1.00 15.00 C ATOM 540 CD1 PHE A 32 -0.971 13.502 14.731 1.00 15.00 C ATOM 541 CD2 PHE A 32 0.447 15.397 14.491 1.00 15.00 C ATOM 542 CE1 PHE A 32 -1.398 13.972 15.952 1.00 15.00 C ATOM 543 CE2 PHE A 32 0.020 15.873 15.712 1.00 15.00 C ATOM 544 CZ PHE A 32 -0.903 15.159 16.444 1.00 15.00 C ATOM 0 H PHE A 32 3.352 13.590 12.598 1.00 15.00 H new ATOM 0 HA PHE A 32 1.118 11.822 13.337 1.00 15.00 H new ATOM 0 HB2 PHE A 32 0.771 14.527 12.060 1.00 15.00 H new ATOM 0 HB3 PHE A 32 -0.449 13.271 12.131 1.00 15.00 H new ATOM 0 HD1 PHE A 32 -1.365 12.571 14.350 1.00 15.00 H new ATOM 0 HD2 PHE A 32 1.173 15.959 13.922 1.00 15.00 H new ATOM 0 HE1 PHE A 32 -2.121 13.410 16.524 1.00 15.00 H new ATOM 0 HE2 PHE A 32 0.409 16.805 16.095 1.00 15.00 H new ATOM 0 HZ PHE A 32 -1.238 15.529 17.402 1.00 15.00 H new ATOM 554 N ILE A 33 1.748 10.872 11.056 1.00 15.00 N ATOM 555 CA ILE A 33 2.003 10.278 9.745 1.00 15.00 C ATOM 556 C ILE A 33 0.803 9.444 9.418 1.00 15.00 C ATOM 557 O ILE A 33 0.103 9.035 10.347 1.00 15.00 O ATOM 558 CB ILE A 33 3.315 9.385 9.680 1.00 15.00 C ATOM 559 CG1 ILE A 33 3.290 8.140 10.630 1.00 15.00 C ATOM 560 CG2 ILE A 33 4.572 10.215 9.911 1.00 15.00 C ATOM 561 CD1 ILE A 33 3.347 8.423 12.126 1.00 15.00 C ATOM 0 H ILE A 33 1.478 10.194 11.769 1.00 15.00 H new ATOM 0 HA ILE A 33 2.172 11.081 9.027 1.00 15.00 H new ATOM 0 HB ILE A 33 3.337 8.989 8.665 1.00 15.00 H new ATOM 0 HG12 ILE A 33 2.382 7.573 10.425 1.00 15.00 H new ATOM 0 HG13 ILE A 33 4.132 7.498 10.372 1.00 15.00 H new ATOM 0 HG21 ILE A 33 5.449 9.570 9.859 1.00 15.00 H new ATOM 0 HG22 ILE A 33 4.644 10.987 9.145 1.00 15.00 H new ATOM 0 HG23 ILE A 33 4.524 10.683 10.894 1.00 15.00 H new ATOM 0 HD11 ILE A 33 3.323 7.482 12.675 1.00 15.00 H new ATOM 0 HD12 ILE A 33 4.268 8.957 12.360 1.00 15.00 H new ATOM 0 HD13 ILE A 33 2.491 9.033 12.414 1.00 15.00 H new ATOM 573 N ASN A 34 0.492 9.192 8.154 1.00 15.00 N ATOM 574 CA ASN A 34 -0.677 8.386 7.890 1.00 15.00 C ATOM 575 C ASN A 34 -0.422 7.103 7.110 1.00 15.00 C ATOM 576 O ASN A 34 -0.716 7.023 5.931 1.00 15.00 O ATOM 577 CB ASN A 34 -1.842 9.189 7.335 1.00 15.00 C ATOM 578 CG ASN A 34 -3.056 9.086 8.225 1.00 15.00 C ATOM 579 OD1 ASN A 34 -3.897 8.195 8.058 1.00 15.00 O ATOM 580 ND2 ASN A 34 -3.169 9.979 9.178 1.00 15.00 N ATOM 0 H ASN A 34 1.007 9.518 7.336 1.00 15.00 H new ATOM 0 HA ASN A 34 -0.976 8.039 8.879 1.00 15.00 H new ATOM 0 HB2 ASN A 34 -1.550 10.234 7.235 1.00 15.00 H new ATOM 0 HB3 ASN A 34 -2.090 8.830 6.336 1.00 15.00 H new ATOM 0 HD21 ASN A 34 -3.969 9.952 9.810 1.00 15.00 H new ATOM 0 HD22 ASN A 34 -2.457 10.701 9.288 1.00 15.00 H new ATOM 587 N PRO A 35 0.014 6.014 7.838 1.00 15.00 N ATOM 588 CA PRO A 35 0.349 4.684 7.261 1.00 15.00 C ATOM 589 C PRO A 35 -0.924 3.883 7.087 1.00 15.00 C ATOM 590 O PRO A 35 -1.061 2.732 7.524 1.00 15.00 O ATOM 591 CB PRO A 35 1.215 4.076 8.356 1.00 15.00 C ATOM 592 CG PRO A 35 0.609 4.587 9.609 1.00 15.00 C ATOM 593 CD PRO A 35 0.135 5.981 9.310 1.00 15.00 C ATOM 0 HA PRO A 35 0.837 4.718 6.287 1.00 15.00 H new ATOM 0 HB2 PRO A 35 1.200 2.987 8.319 1.00 15.00 H new ATOM 0 HB3 PRO A 35 2.256 4.384 8.260 1.00 15.00 H new ATOM 0 HG2 PRO A 35 -0.220 3.954 9.926 1.00 15.00 H new ATOM 0 HG3 PRO A 35 1.337 4.589 10.420 1.00 15.00 H new ATOM 0 HD2 PRO A 35 -0.820 6.189 9.793 1.00 15.00 H new ATOM 0 HD3 PRO A 35 0.843 6.728 9.668 1.00 15.00 H new ATOM 601 N TYR A 36 -1.782 4.497 6.394 1.00 15.00 N ATOM 602 CA TYR A 36 -3.124 4.083 6.199 1.00 15.00 C ATOM 603 C TYR A 36 -3.672 4.770 4.993 1.00 15.00 C ATOM 604 O TYR A 36 -4.497 4.218 4.253 1.00 15.00 O ATOM 605 CB TYR A 36 -3.934 4.493 7.462 1.00 15.00 C ATOM 606 CG TYR A 36 -5.444 4.322 7.387 1.00 15.00 C ATOM 607 CD1 TYR A 36 -6.061 3.103 7.634 1.00 15.00 C ATOM 608 CD2 TYR A 36 -6.250 5.411 7.083 1.00 15.00 C ATOM 609 CE1 TYR A 36 -7.444 2.980 7.574 1.00 15.00 C ATOM 610 CE2 TYR A 36 -7.615 5.298 7.020 1.00 15.00 C ATOM 611 CZ TYR A 36 -8.213 4.088 7.263 1.00 15.00 C ATOM 612 OH TYR A 36 -9.595 3.988 7.203 1.00 15.00 O ATOM 0 H TYR A 36 -1.564 5.366 5.907 1.00 15.00 H new ATOM 0 HA TYR A 36 -3.186 3.005 6.049 1.00 15.00 H new ATOM 0 HB2 TYR A 36 -3.567 3.910 8.307 1.00 15.00 H new ATOM 0 HB3 TYR A 36 -3.720 5.539 7.679 1.00 15.00 H new ATOM 0 HD1 TYR A 36 -5.459 2.240 7.876 1.00 15.00 H new ATOM 0 HD2 TYR A 36 -5.791 6.370 6.892 1.00 15.00 H new ATOM 0 HE1 TYR A 36 -7.915 2.028 7.768 1.00 15.00 H new ATOM 0 HE2 TYR A 36 -8.218 6.161 6.779 1.00 15.00 H new ATOM 0 HH TYR A 36 -9.976 4.861 6.973 1.00 15.00 H new ATOM 622 N ALA A 37 -3.181 5.953 4.757 1.00 15.00 N ATOM 623 CA ALA A 37 -3.811 6.780 3.821 1.00 15.00 C ATOM 624 C ALA A 37 -3.068 7.051 2.529 1.00 15.00 C ATOM 625 O ALA A 37 -3.683 7.671 1.672 1.00 15.00 O ATOM 626 CB ALA A 37 -4.267 8.058 4.486 1.00 15.00 C ATOM 0 H ALA A 37 -2.353 6.346 5.205 1.00 15.00 H new ATOM 0 HA ALA A 37 -4.667 6.199 3.478 1.00 15.00 H new ATOM 0 HB1 ALA A 37 -4.756 8.696 3.750 1.00 15.00 H new ATOM 0 HB2 ALA A 37 -4.969 7.822 5.286 1.00 15.00 H new ATOM 0 HB3 ALA A 37 -3.405 8.579 4.902 1.00 15.00 H new ATOM 632 N LYS A 38 -1.725 6.666 2.353 1.00 15.00 N ATOM 633 CA LYS A 38 -1.011 6.867 1.073 1.00 15.00 C ATOM 634 C LYS A 38 -1.041 8.330 0.702 1.00 15.00 C ATOM 635 O LYS A 38 -1.070 8.710 -0.465 1.00 15.00 O ATOM 636 CB LYS A 38 -1.502 5.907 -0.096 1.00 15.00 C ATOM 637 CG LYS A 38 -2.941 6.077 -0.572 1.00 15.00 C ATOM 638 CD LYS A 38 -3.352 5.041 -1.591 1.00 15.00 C ATOM 639 CE LYS A 38 -4.785 5.281 -2.043 1.00 15.00 C ATOM 640 NZ LYS A 38 -5.747 5.190 -0.905 1.00 15.00 N ATOM 0 H LYS A 38 -1.161 6.230 3.082 1.00 15.00 H new ATOM 0 HA LYS A 38 0.028 6.573 1.221 1.00 15.00 H new ATOM 0 HB2 LYS A 38 -0.843 6.051 -0.952 1.00 15.00 H new ATOM 0 HB3 LYS A 38 -1.374 4.877 0.235 1.00 15.00 H new ATOM 0 HG2 LYS A 38 -3.611 6.020 0.286 1.00 15.00 H new ATOM 0 HG3 LYS A 38 -3.060 7.071 -1.004 1.00 15.00 H new ATOM 0 HD2 LYS A 38 -2.682 5.080 -2.450 1.00 15.00 H new ATOM 0 HD3 LYS A 38 -3.262 4.043 -1.161 1.00 15.00 H new ATOM 0 HE2 LYS A 38 -4.861 6.265 -2.505 1.00 15.00 H new ATOM 0 HE3 LYS A 38 -5.053 4.550 -2.805 1.00 15.00 H new ATOM 0 HZ1 LYS A 38 -6.712 5.070 -1.275 1.00 15.00 H new ATOM 0 HZ2 LYS A 38 -5.502 4.375 -0.307 1.00 15.00 H new ATOM 0 HZ3 LYS A 38 -5.699 6.061 -0.339 1.00 15.00 H new ATOM 654 N VAL A 39 -1.024 9.145 1.730 1.00 15.00 N ATOM 655 CA VAL A 39 -1.107 10.577 1.610 1.00 15.00 C ATOM 656 C VAL A 39 0.266 11.140 1.605 1.00 15.00 C ATOM 657 O VAL A 39 0.643 11.831 0.650 1.00 15.00 O ATOM 658 CB VAL A 39 -1.957 11.223 2.754 1.00 15.00 C ATOM 659 CG1 VAL A 39 -1.891 12.743 2.717 1.00 15.00 C ATOM 660 CG2 VAL A 39 -3.393 10.799 2.631 1.00 15.00 C ATOM 0 H VAL A 39 -0.950 8.821 2.694 1.00 15.00 H new ATOM 0 HA VAL A 39 -1.614 10.811 0.674 1.00 15.00 H new ATOM 0 HB VAL A 39 -1.540 10.880 3.701 1.00 15.00 H new ATOM 0 HG11 VAL A 39 -2.494 13.153 3.527 1.00 15.00 H new ATOM 0 HG12 VAL A 39 -0.857 13.065 2.836 1.00 15.00 H new ATOM 0 HG13 VAL A 39 -2.275 13.101 1.762 1.00 15.00 H new ATOM 0 HG21 VAL A 39 -3.976 11.254 3.432 1.00 15.00 H new ATOM 0 HG22 VAL A 39 -3.786 11.122 1.667 1.00 15.00 H new ATOM 0 HG23 VAL A 39 -3.459 9.714 2.705 1.00 15.00 H new ATOM 670 N ALA A 40 1.013 10.869 2.700 1.00 15.00 N ATOM 671 CA ALA A 40 2.344 11.280 2.846 1.00 15.00 C ATOM 672 C ALA A 40 2.460 12.773 2.852 1.00 15.00 C ATOM 673 O ALA A 40 2.967 13.387 1.924 1.00 15.00 O ATOM 674 CB ALA A 40 3.262 10.611 1.893 1.00 15.00 C ATOM 0 H ALA A 40 0.658 10.344 3.499 1.00 15.00 H new ATOM 0 HA ALA A 40 2.679 10.946 3.828 1.00 15.00 H new ATOM 0 HB1 ALA A 40 4.279 10.970 2.054 1.00 15.00 H new ATOM 0 HB2 ALA A 40 3.228 9.533 2.051 1.00 15.00 H new ATOM 0 HB3 ALA A 40 2.955 10.838 0.872 1.00 15.00 H new ATOM 680 N GLU A 41 1.931 13.344 3.891 1.00 15.00 N ATOM 681 CA GLU A 41 2.088 14.706 4.186 1.00 15.00 C ATOM 682 C GLU A 41 2.320 14.665 5.651 1.00 15.00 C ATOM 683 O GLU A 41 1.526 14.050 6.371 1.00 15.00 O ATOM 684 CB GLU A 41 0.839 15.528 3.894 1.00 15.00 C ATOM 685 CG GLU A 41 0.406 15.602 2.440 1.00 15.00 C ATOM 686 CD GLU A 41 -0.807 16.475 2.282 1.00 15.00 C ATOM 687 OE1 GLU A 41 -0.982 17.408 3.093 1.00 15.00 O ATOM 688 OE2 GLU A 41 -1.612 16.258 1.350 1.00 15.00 O ATOM 0 H GLU A 41 1.360 12.842 4.571 1.00 15.00 H new ATOM 0 HA GLU A 41 2.875 15.172 3.592 1.00 15.00 H new ATOM 0 HB2 GLU A 41 0.015 15.116 4.476 1.00 15.00 H new ATOM 0 HB3 GLU A 41 1.006 16.543 4.253 1.00 15.00 H new ATOM 0 HG2 GLU A 41 1.222 15.995 1.834 1.00 15.00 H new ATOM 0 HG3 GLU A 41 0.188 14.600 2.071 1.00 15.00 H new ATOM 695 N VAL A 42 3.358 15.222 6.099 1.00 15.00 N ATOM 696 CA VAL A 42 3.675 15.128 7.481 1.00 15.00 C ATOM 697 C VAL A 42 3.873 16.483 8.050 1.00 15.00 C ATOM 698 O VAL A 42 4.735 17.240 7.615 1.00 15.00 O ATOM 699 CB VAL A 42 4.901 14.203 7.782 1.00 15.00 C ATOM 700 CG1 VAL A 42 5.149 14.071 9.277 1.00 15.00 C ATOM 701 CG2 VAL A 42 4.742 12.826 7.143 1.00 15.00 C ATOM 0 H VAL A 42 4.020 15.757 5.537 1.00 15.00 H new ATOM 0 HA VAL A 42 2.824 14.651 7.967 1.00 15.00 H new ATOM 0 HB VAL A 42 5.772 14.682 7.335 1.00 15.00 H new ATOM 0 HG11 VAL A 42 6.008 13.422 9.447 1.00 15.00 H new ATOM 0 HG12 VAL A 42 5.349 15.055 9.701 1.00 15.00 H new ATOM 0 HG13 VAL A 42 4.269 13.642 9.755 1.00 15.00 H new ATOM 0 HG21 VAL A 42 5.614 12.214 7.375 1.00 15.00 H new ATOM 0 HG22 VAL A 42 3.846 12.344 7.535 1.00 15.00 H new ATOM 0 HG23 VAL A 42 4.653 12.935 6.062 1.00 15.00 H new ATOM 711 N VAL A 43 3.034 16.783 9.029 1.00 15.00 N ATOM 712 CA VAL A 43 3.184 17.950 9.791 1.00 15.00 C ATOM 713 C VAL A 43 3.760 17.478 11.096 1.00 15.00 C ATOM 714 O VAL A 43 3.103 16.774 11.865 1.00 15.00 O ATOM 715 CB VAL A 43 1.849 18.717 9.998 1.00 15.00 C ATOM 716 CG1 VAL A 43 2.061 19.991 10.794 1.00 15.00 C ATOM 717 CG2 VAL A 43 1.179 19.026 8.665 1.00 15.00 C ATOM 0 H VAL A 43 2.238 16.204 9.295 1.00 15.00 H new ATOM 0 HA VAL A 43 3.827 18.670 9.285 1.00 15.00 H new ATOM 0 HB VAL A 43 1.187 18.067 10.570 1.00 15.00 H new ATOM 0 HG11 VAL A 43 1.107 20.504 10.921 1.00 15.00 H new ATOM 0 HG12 VAL A 43 2.473 19.744 11.772 1.00 15.00 H new ATOM 0 HG13 VAL A 43 2.755 20.642 10.261 1.00 15.00 H new ATOM 0 HG21 VAL A 43 0.247 19.563 8.842 1.00 15.00 H new ATOM 0 HG22 VAL A 43 1.843 19.642 8.058 1.00 15.00 H new ATOM 0 HG23 VAL A 43 0.967 18.095 8.140 1.00 15.00 H new ATOM 727 N ILE A 44 4.975 17.819 11.313 1.00 15.00 N ATOM 728 CA ILE A 44 5.696 17.332 12.452 1.00 15.00 C ATOM 729 C ILE A 44 6.428 18.453 13.163 1.00 15.00 C ATOM 730 O ILE A 44 6.954 19.369 12.540 1.00 15.00 O ATOM 731 CB ILE A 44 6.624 16.135 12.066 1.00 15.00 C ATOM 732 CG1 ILE A 44 7.449 15.627 13.248 1.00 15.00 C ATOM 733 CG2 ILE A 44 7.529 16.507 10.904 1.00 15.00 C ATOM 734 CD1 ILE A 44 8.263 14.401 12.936 1.00 15.00 C ATOM 0 H ILE A 44 5.509 18.445 10.710 1.00 15.00 H new ATOM 0 HA ILE A 44 4.977 16.939 13.170 1.00 15.00 H new ATOM 0 HB ILE A 44 5.971 15.318 11.758 1.00 15.00 H new ATOM 0 HG12 ILE A 44 8.118 16.421 13.581 1.00 15.00 H new ATOM 0 HG13 ILE A 44 6.779 15.406 14.079 1.00 15.00 H new ATOM 0 HG21 ILE A 44 8.166 15.659 10.653 1.00 15.00 H new ATOM 0 HG22 ILE A 44 6.921 16.773 10.039 1.00 15.00 H new ATOM 0 HG23 ILE A 44 8.151 17.357 11.185 1.00 15.00 H new ATOM 0 HD11 ILE A 44 8.821 14.100 13.822 1.00 15.00 H new ATOM 0 HD12 ILE A 44 7.599 13.591 12.632 1.00 15.00 H new ATOM 0 HD13 ILE A 44 8.959 14.623 12.127 1.00 15.00 H new ATOM 746 N ASP A 45 6.361 18.406 14.461 1.00 15.00 N ATOM 747 CA ASP A 45 7.090 19.299 15.324 1.00 15.00 C ATOM 748 C ASP A 45 8.308 18.493 15.692 1.00 15.00 C ATOM 749 O ASP A 45 8.166 17.358 16.162 1.00 15.00 O ATOM 750 CB ASP A 45 6.255 19.626 16.567 1.00 15.00 C ATOM 751 CG ASP A 45 6.783 20.773 17.408 1.00 15.00 C ATOM 752 OD1 ASP A 45 7.993 20.927 17.570 1.00 15.00 O ATOM 753 OD2 ASP A 45 5.948 21.541 17.941 1.00 15.00 O ATOM 0 H ASP A 45 5.785 17.731 14.964 1.00 15.00 H new ATOM 0 HA ASP A 45 7.336 20.255 14.861 1.00 15.00 H new ATOM 0 HB2 ASP A 45 5.239 19.863 16.252 1.00 15.00 H new ATOM 0 HB3 ASP A 45 6.195 18.735 17.191 1.00 15.00 H new ATOM 758 N ASP A 46 9.469 19.016 15.493 1.00 15.00 N ATOM 759 CA ASP A 46 10.716 18.275 15.582 1.00 15.00 C ATOM 760 C ASP A 46 11.729 19.331 15.505 1.00 15.00 C ATOM 761 O ASP A 46 11.699 20.129 14.557 1.00 15.00 O ATOM 762 CB ASP A 46 10.925 17.274 14.430 1.00 15.00 C ATOM 763 CG ASP A 46 12.406 16.886 14.222 1.00 15.00 C ATOM 764 OD1 ASP A 46 13.124 17.605 13.452 1.00 15.00 O ATOM 765 OD2 ASP A 46 12.837 15.901 14.760 1.00 15.00 O ATOM 0 H ASP A 46 9.599 19.999 15.256 1.00 15.00 H new ATOM 0 HA ASP A 46 10.749 17.666 16.485 1.00 15.00 H new ATOM 0 HB2 ASP A 46 10.345 16.373 14.630 1.00 15.00 H new ATOM 0 HB3 ASP A 46 10.536 17.705 13.508 1.00 15.00 H new ATOM 770 N SER A 47 12.567 19.428 16.451 1.00 15.00 N ATOM 771 CA SER A 47 13.487 20.481 16.415 1.00 15.00 C ATOM 772 C SER A 47 14.919 19.957 16.400 1.00 15.00 C ATOM 773 O SER A 47 15.592 19.925 17.419 1.00 15.00 O ATOM 774 CB SER A 47 13.227 21.509 17.509 1.00 15.00 C ATOM 775 OG SER A 47 11.845 21.898 17.537 1.00 15.00 O ATOM 0 H SER A 47 12.636 18.800 17.252 1.00 15.00 H new ATOM 0 HA SER A 47 13.346 21.019 15.478 1.00 15.00 H new ATOM 0 HB2 SER A 47 13.511 21.094 18.476 1.00 15.00 H new ATOM 0 HB3 SER A 47 13.851 22.387 17.343 1.00 15.00 H new ATOM 0 HG SER A 47 11.705 22.557 18.249 1.00 15.00 H new ATOM 781 N LYS A 48 15.323 19.457 15.246 1.00 15.00 N ATOM 782 CA LYS A 48 16.737 19.145 14.985 1.00 15.00 C ATOM 783 C LYS A 48 17.245 20.305 14.126 1.00 15.00 C ATOM 784 O LYS A 48 17.955 21.184 14.588 1.00 15.00 O ATOM 785 CB LYS A 48 16.936 17.863 14.186 1.00 15.00 C ATOM 786 CG LYS A 48 16.493 16.604 14.823 1.00 15.00 C ATOM 787 CD LYS A 48 17.419 16.159 15.932 1.00 15.00 C ATOM 788 CE LYS A 48 18.816 15.845 15.438 1.00 15.00 C ATOM 789 NZ LYS A 48 19.670 15.356 16.534 1.00 15.00 N ATOM 0 H LYS A 48 14.698 19.254 14.466 1.00 15.00 H new ATOM 0 HA LYS A 48 17.257 19.011 15.933 1.00 15.00 H new ATOM 0 HB2 LYS A 48 16.408 17.968 13.238 1.00 15.00 H new ATOM 0 HB3 LYS A 48 17.996 17.770 13.952 1.00 15.00 H new ATOM 0 HG2 LYS A 48 15.489 16.738 15.225 1.00 15.00 H new ATOM 0 HG3 LYS A 48 16.433 15.820 14.068 1.00 15.00 H new ATOM 0 HD2 LYS A 48 17.473 16.941 16.690 1.00 15.00 H new ATOM 0 HD3 LYS A 48 17.002 15.275 16.415 1.00 15.00 H new ATOM 0 HE2 LYS A 48 18.766 15.094 14.650 1.00 15.00 H new ATOM 0 HE3 LYS A 48 19.259 16.739 14.999 1.00 15.00 H new ATOM 0 HZ1 LYS A 48 20.602 15.814 16.479 1.00 15.00 H new ATOM 0 HZ2 LYS A 48 19.227 15.583 17.447 1.00 15.00 H new ATOM 0 HZ3 LYS A 48 19.785 14.326 16.451 1.00 15.00 H new ATOM 803 N VAL A 49 16.727 20.267 12.891 1.00 15.00 N ATOM 804 CA VAL A 49 16.929 21.147 11.716 1.00 15.00 C ATOM 805 C VAL A 49 16.091 20.497 10.634 1.00 15.00 C ATOM 806 O VAL A 49 15.321 21.148 9.962 1.00 15.00 O ATOM 807 CB VAL A 49 18.420 21.255 11.175 1.00 15.00 C ATOM 808 CG1 VAL A 49 18.446 21.950 9.819 1.00 15.00 C ATOM 809 CG2 VAL A 49 19.318 22.038 12.111 1.00 15.00 C ATOM 0 H VAL A 49 16.070 19.523 12.655 1.00 15.00 H new ATOM 0 HA VAL A 49 16.664 22.167 11.995 1.00 15.00 H new ATOM 0 HB VAL A 49 18.791 20.233 11.098 1.00 15.00 H new ATOM 0 HG11 VAL A 49 19.474 22.016 9.463 1.00 15.00 H new ATOM 0 HG12 VAL A 49 17.851 21.379 9.106 1.00 15.00 H new ATOM 0 HG13 VAL A 49 18.031 22.953 9.916 1.00 15.00 H new ATOM 0 HG21 VAL A 49 20.325 22.083 11.696 1.00 15.00 H new ATOM 0 HG22 VAL A 49 18.928 23.049 12.228 1.00 15.00 H new ATOM 0 HG23 VAL A 49 19.348 21.546 13.083 1.00 15.00 H new ATOM 819 N ASN A 50 16.235 19.152 10.583 1.00 15.00 N ATOM 820 CA ASN A 50 15.531 18.180 9.695 1.00 15.00 C ATOM 821 C ASN A 50 16.355 17.772 8.502 1.00 15.00 C ATOM 822 O ASN A 50 15.933 16.956 7.695 1.00 15.00 O ATOM 823 CB ASN A 50 14.068 18.538 9.277 1.00 15.00 C ATOM 824 CG ASN A 50 13.890 19.218 7.901 1.00 15.00 C ATOM 825 OD1 ASN A 50 14.729 19.990 7.429 1.00 15.00 O ATOM 826 ND2 ASN A 50 12.818 18.858 7.233 1.00 15.00 N ATOM 0 H ASN A 50 16.891 18.678 11.203 1.00 15.00 H new ATOM 0 HA ASN A 50 15.414 17.318 10.352 1.00 15.00 H new ATOM 0 HB2 ASN A 50 13.478 17.622 9.283 1.00 15.00 H new ATOM 0 HB3 ASN A 50 13.647 19.194 10.039 1.00 15.00 H new ATOM 0 HD21 ASN A 50 12.658 19.219 6.292 1.00 15.00 H new ATOM 0 HD22 ASN A 50 12.145 18.218 7.655 1.00 15.00 H new ATOM 833 N ILE A 51 17.500 18.370 8.348 1.00 15.00 N ATOM 834 CA ILE A 51 18.410 17.922 7.306 1.00 15.00 C ATOM 835 C ILE A 51 18.684 16.363 7.343 1.00 15.00 C ATOM 836 O ILE A 51 18.914 15.747 6.292 1.00 15.00 O ATOM 837 CB ILE A 51 19.724 18.759 7.297 1.00 15.00 C ATOM 838 CG1 ILE A 51 20.555 18.449 6.039 1.00 15.00 C ATOM 839 CG2 ILE A 51 20.530 18.531 8.576 1.00 15.00 C ATOM 840 CD1 ILE A 51 21.726 19.379 5.823 1.00 15.00 C ATOM 0 H ILE A 51 17.832 19.153 8.911 1.00 15.00 H new ATOM 0 HA ILE A 51 17.905 18.102 6.357 1.00 15.00 H new ATOM 0 HB ILE A 51 19.458 19.816 7.267 1.00 15.00 H new ATOM 0 HG12 ILE A 51 20.926 17.426 6.106 1.00 15.00 H new ATOM 0 HG13 ILE A 51 19.903 18.496 5.167 1.00 15.00 H new ATOM 0 HG21 ILE A 51 21.442 19.127 8.543 1.00 15.00 H new ATOM 0 HG22 ILE A 51 19.934 18.827 9.439 1.00 15.00 H new ATOM 0 HG23 ILE A 51 20.790 17.476 8.659 1.00 15.00 H new ATOM 0 HD11 ILE A 51 22.257 19.091 4.916 1.00 15.00 H new ATOM 0 HD12 ILE A 51 21.364 20.402 5.722 1.00 15.00 H new ATOM 0 HD13 ILE A 51 22.403 19.316 6.675 1.00 15.00 H new ATOM 852 N GLU A 52 18.641 15.730 8.533 1.00 15.00 N ATOM 853 CA GLU A 52 18.721 14.259 8.628 1.00 15.00 C ATOM 854 C GLU A 52 17.431 13.583 8.173 1.00 15.00 C ATOM 855 O GLU A 52 17.462 12.510 7.572 1.00 15.00 O ATOM 856 CB GLU A 52 19.094 13.762 10.056 1.00 15.00 C ATOM 857 CG GLU A 52 18.268 14.330 11.205 1.00 15.00 C ATOM 858 CD GLU A 52 18.688 15.725 11.547 1.00 15.00 C ATOM 859 OE1 GLU A 52 19.688 15.885 12.270 1.00 15.00 O ATOM 860 OE2 GLU A 52 18.078 16.669 11.054 1.00 15.00 O ATOM 0 H GLU A 52 18.553 16.207 9.430 1.00 15.00 H new ATOM 0 HA GLU A 52 19.526 13.973 7.952 1.00 15.00 H new ATOM 0 HB2 GLU A 52 19.005 12.676 10.075 1.00 15.00 H new ATOM 0 HB3 GLU A 52 20.142 13.999 10.238 1.00 15.00 H new ATOM 0 HG2 GLU A 52 17.212 14.323 10.933 1.00 15.00 H new ATOM 0 HG3 GLU A 52 18.376 13.692 12.082 1.00 15.00 H new ATOM 867 N GLU A 53 16.308 14.228 8.477 1.00 15.00 N ATOM 868 CA GLU A 53 14.980 13.768 8.074 1.00 15.00 C ATOM 869 C GLU A 53 14.923 13.685 6.570 1.00 15.00 C ATOM 870 O GLU A 53 14.413 12.745 5.958 1.00 15.00 O ATOM 871 CB GLU A 53 14.006 14.894 8.441 1.00 15.00 C ATOM 872 CG GLU A 53 12.555 14.610 8.157 1.00 15.00 C ATOM 873 CD GLU A 53 11.744 15.852 8.282 1.00 15.00 C ATOM 874 OE1 GLU A 53 11.502 16.318 9.398 1.00 15.00 O ATOM 875 OE2 GLU A 53 11.406 16.429 7.236 1.00 15.00 O ATOM 0 H GLU A 53 16.293 15.094 9.016 1.00 15.00 H new ATOM 0 HA GLU A 53 14.753 12.809 8.540 1.00 15.00 H new ATOM 0 HB2 GLU A 53 14.115 15.114 9.503 1.00 15.00 H new ATOM 0 HB3 GLU A 53 14.296 15.794 7.898 1.00 15.00 H new ATOM 0 HG2 GLU A 53 12.449 14.199 7.153 1.00 15.00 H new ATOM 0 HG3 GLU A 53 12.184 13.856 8.851 1.00 15.00 H new ATOM 882 N LEU A 54 15.500 14.750 5.985 1.00 15.00 N ATOM 883 CA LEU A 54 15.640 14.950 4.564 1.00 15.00 C ATOM 884 C LEU A 54 16.390 13.802 3.968 1.00 15.00 C ATOM 885 O LEU A 54 16.098 13.388 2.892 1.00 15.00 O ATOM 886 CB LEU A 54 16.369 16.279 4.292 1.00 15.00 C ATOM 887 CG LEU A 54 16.600 16.669 2.825 1.00 15.00 C ATOM 888 CD1 LEU A 54 15.284 16.894 2.102 1.00 15.00 C ATOM 889 CD2 LEU A 54 17.470 17.914 2.742 1.00 15.00 C ATOM 0 H LEU A 54 15.893 15.518 6.529 1.00 15.00 H new ATOM 0 HA LEU A 54 14.654 14.999 4.103 1.00 15.00 H new ATOM 0 HB2 LEU A 54 15.801 17.079 4.768 1.00 15.00 H new ATOM 0 HB3 LEU A 54 17.339 16.239 4.787 1.00 15.00 H new ATOM 0 HG LEU A 54 17.115 15.844 2.333 1.00 15.00 H new ATOM 0 HD11 LEU A 54 15.481 17.169 1.066 1.00 15.00 H new ATOM 0 HD12 LEU A 54 14.693 15.979 2.129 1.00 15.00 H new ATOM 0 HD13 LEU A 54 14.732 17.696 2.592 1.00 15.00 H new ATOM 0 HD21 LEU A 54 17.626 18.180 1.696 1.00 15.00 H new ATOM 0 HD22 LEU A 54 16.976 18.738 3.256 1.00 15.00 H new ATOM 0 HD23 LEU A 54 18.433 17.717 3.214 1.00 15.00 H new ATOM 901 N LYS A 55 17.337 13.299 4.711 1.00 15.00 N ATOM 902 CA LYS A 55 18.094 12.139 4.320 1.00 15.00 C ATOM 903 C LYS A 55 17.239 10.865 4.372 1.00 15.00 C ATOM 904 O LYS A 55 17.216 10.100 3.400 1.00 15.00 O ATOM 905 CB LYS A 55 19.389 12.002 5.159 1.00 15.00 C ATOM 906 CG LYS A 55 19.967 10.587 5.201 1.00 15.00 C ATOM 907 CD LYS A 55 20.525 10.076 3.896 1.00 15.00 C ATOM 908 CE LYS A 55 20.639 8.553 3.961 1.00 15.00 C ATOM 909 NZ LYS A 55 21.260 8.079 5.221 1.00 15.00 N ATOM 0 H LYS A 55 17.609 13.686 5.615 1.00 15.00 H new ATOM 0 HA LYS A 55 18.397 12.277 3.282 1.00 15.00 H new ATOM 0 HB2 LYS A 55 20.143 12.678 4.755 1.00 15.00 H new ATOM 0 HB3 LYS A 55 19.183 12.328 6.179 1.00 15.00 H new ATOM 0 HG2 LYS A 55 20.758 10.558 5.951 1.00 15.00 H new ATOM 0 HG3 LYS A 55 19.186 9.904 5.535 1.00 15.00 H new ATOM 0 HD2 LYS A 55 19.877 10.369 3.070 1.00 15.00 H new ATOM 0 HD3 LYS A 55 21.503 10.518 3.707 1.00 15.00 H new ATOM 0 HE2 LYS A 55 19.646 8.114 3.862 1.00 15.00 H new ATOM 0 HE3 LYS A 55 21.229 8.200 3.115 1.00 15.00 H new ATOM 0 HZ1 LYS A 55 21.561 7.090 5.109 1.00 15.00 H new ATOM 0 HZ2 LYS A 55 22.087 8.669 5.444 1.00 15.00 H new ATOM 0 HZ3 LYS A 55 20.569 8.145 5.995 1.00 15.00 H new ATOM 923 N GLU A 56 16.569 10.608 5.474 1.00 15.00 N ATOM 924 CA GLU A 56 15.831 9.371 5.592 1.00 15.00 C ATOM 925 C GLU A 56 14.626 9.259 4.636 1.00 15.00 C ATOM 926 O GLU A 56 14.428 8.210 4.014 1.00 15.00 O ATOM 927 CB GLU A 56 15.478 9.138 7.037 1.00 15.00 C ATOM 928 CG GLU A 56 16.724 9.059 7.931 1.00 15.00 C ATOM 929 CD GLU A 56 17.736 8.024 7.466 1.00 15.00 C ATOM 930 OE1 GLU A 56 17.380 6.834 7.360 1.00 15.00 O ATOM 931 OE2 GLU A 56 18.926 8.381 7.220 1.00 15.00 O ATOM 0 H GLU A 56 16.520 11.225 6.285 1.00 15.00 H new ATOM 0 HA GLU A 56 16.481 8.562 5.260 1.00 15.00 H new ATOM 0 HB2 GLU A 56 14.832 9.944 7.386 1.00 15.00 H new ATOM 0 HB3 GLU A 56 14.909 8.212 7.126 1.00 15.00 H new ATOM 0 HG2 GLU A 56 17.203 10.037 7.961 1.00 15.00 H new ATOM 0 HG3 GLU A 56 16.417 8.824 8.950 1.00 15.00 H new ATOM 938 N LYS A 57 13.861 10.332 4.478 1.00 15.00 N ATOM 939 CA LYS A 57 12.769 10.344 3.472 1.00 15.00 C ATOM 940 C LYS A 57 13.318 10.340 2.036 1.00 15.00 C ATOM 941 O LYS A 57 12.629 9.954 1.077 1.00 15.00 O ATOM 942 CB LYS A 57 11.682 11.409 3.716 1.00 15.00 C ATOM 943 CG LYS A 57 12.093 12.874 3.639 1.00 15.00 C ATOM 944 CD LYS A 57 10.874 13.744 3.951 1.00 15.00 C ATOM 945 CE LYS A 57 11.108 15.223 3.690 1.00 15.00 C ATOM 946 NZ LYS A 57 11.970 15.884 4.697 1.00 15.00 N ATOM 0 H LYS A 57 13.960 11.195 5.013 1.00 15.00 H new ATOM 0 HA LYS A 57 12.234 9.404 3.608 1.00 15.00 H new ATOM 0 HB2 LYS A 57 10.885 11.246 2.991 1.00 15.00 H new ATOM 0 HB3 LYS A 57 11.256 11.232 4.703 1.00 15.00 H new ATOM 0 HG2 LYS A 57 12.895 13.079 4.348 1.00 15.00 H new ATOM 0 HG3 LYS A 57 12.479 13.106 2.646 1.00 15.00 H new ATOM 0 HD2 LYS A 57 10.031 13.405 3.349 1.00 15.00 H new ATOM 0 HD3 LYS A 57 10.596 13.606 4.996 1.00 15.00 H new ATOM 0 HE2 LYS A 57 11.561 15.340 2.706 1.00 15.00 H new ATOM 0 HE3 LYS A 57 10.145 15.733 3.660 1.00 15.00 H new ATOM 0 HZ1 LYS A 57 12.373 16.753 4.292 1.00 15.00 H new ATOM 0 HZ2 LYS A 57 11.403 16.123 5.536 1.00 15.00 H new ATOM 0 HZ3 LYS A 57 12.740 15.241 4.971 1.00 15.00 H new ATOM 960 N LEU A 58 14.563 10.682 1.936 1.00 15.00 N ATOM 961 CA LEU A 58 15.307 10.628 0.688 1.00 15.00 C ATOM 962 C LEU A 58 15.749 9.174 0.412 1.00 15.00 C ATOM 963 O LEU A 58 16.436 8.903 -0.565 1.00 15.00 O ATOM 964 CB LEU A 58 16.498 11.592 0.682 1.00 15.00 C ATOM 965 CG LEU A 58 17.185 11.863 -0.658 1.00 15.00 C ATOM 966 CD1 LEU A 58 16.228 12.566 -1.605 1.00 15.00 C ATOM 967 CD2 LEU A 58 18.412 12.721 -0.444 1.00 15.00 C ATOM 0 H LEU A 58 15.115 11.015 2.727 1.00 15.00 H new ATOM 0 HA LEU A 58 14.650 10.956 -0.117 1.00 15.00 H new ATOM 0 HB2 LEU A 58 16.159 12.547 1.085 1.00 15.00 H new ATOM 0 HB3 LEU A 58 17.248 11.203 1.371 1.00 15.00 H new ATOM 0 HG LEU A 58 17.484 10.911 -1.097 1.00 15.00 H new ATOM 0 HD11 LEU A 58 16.728 12.753 -2.555 1.00 15.00 H new ATOM 0 HD12 LEU A 58 15.354 11.936 -1.773 1.00 15.00 H new ATOM 0 HD13 LEU A 58 15.914 13.513 -1.167 1.00 15.00 H new ATOM 0 HD21 LEU A 58 18.896 12.910 -1.402 1.00 15.00 H new ATOM 0 HD22 LEU A 58 18.119 13.669 0.007 1.00 15.00 H new ATOM 0 HD23 LEU A 58 19.107 12.204 0.218 1.00 15.00 H new ATOM 979 N LYS A 59 15.466 8.243 1.312 1.00 15.00 N ATOM 980 CA LYS A 59 15.614 6.851 0.942 1.00 15.00 C ATOM 981 C LYS A 59 14.424 6.230 0.242 1.00 15.00 C ATOM 982 O LYS A 59 14.592 5.292 -0.523 1.00 15.00 O ATOM 983 CB LYS A 59 16.267 6.000 2.005 1.00 15.00 C ATOM 984 CG LYS A 59 17.745 6.288 2.056 1.00 15.00 C ATOM 985 CD LYS A 59 18.415 5.676 0.823 1.00 15.00 C ATOM 986 CE LYS A 59 19.660 6.415 0.414 1.00 15.00 C ATOM 987 NZ LYS A 59 19.335 7.703 -0.243 1.00 15.00 N ATOM 0 H LYS A 59 15.146 8.418 2.264 1.00 15.00 H new ATOM 0 HA LYS A 59 16.351 6.871 0.139 1.00 15.00 H new ATOM 0 HB2 LYS A 59 15.814 6.204 2.975 1.00 15.00 H new ATOM 0 HB3 LYS A 59 16.101 4.944 1.791 1.00 15.00 H new ATOM 0 HG2 LYS A 59 17.918 7.364 2.084 1.00 15.00 H new ATOM 0 HG3 LYS A 59 18.178 5.872 2.965 1.00 15.00 H new ATOM 0 HD2 LYS A 59 18.666 4.636 1.029 1.00 15.00 H new ATOM 0 HD3 LYS A 59 17.708 5.675 -0.007 1.00 15.00 H new ATOM 0 HE2 LYS A 59 20.280 6.599 1.291 1.00 15.00 H new ATOM 0 HE3 LYS A 59 20.245 5.796 -0.266 1.00 15.00 H new ATOM 0 HZ1 LYS A 59 19.645 7.675 -1.235 1.00 15.00 H new ATOM 0 HZ2 LYS A 59 18.308 7.862 -0.206 1.00 15.00 H new ATOM 0 HZ3 LYS A 59 19.823 8.477 0.250 1.00 15.00 H new ATOM 1001 N GLY A 60 13.212 6.724 0.508 1.00 15.00 N ATOM 1002 CA GLY A 60 12.083 6.305 -0.323 1.00 15.00 C ATOM 1003 C GLY A 60 12.301 6.960 -1.662 1.00 15.00 C ATOM 1004 O GLY A 60 12.530 6.315 -2.669 1.00 15.00 O ATOM 0 H GLY A 60 12.993 7.383 1.255 1.00 15.00 H new ATOM 0 HA2 GLY A 60 12.048 5.220 -0.418 1.00 15.00 H new ATOM 0 HA3 GLY A 60 11.136 6.617 0.117 1.00 15.00 H new ATOM 1008 N GLU A 61 12.318 8.289 -1.579 1.00 15.00 N ATOM 1009 CA GLU A 61 12.810 9.257 -2.627 1.00 15.00 C ATOM 1010 C GLU A 61 12.088 9.169 -4.017 1.00 15.00 C ATOM 1011 O GLU A 61 12.305 10.010 -4.900 1.00 15.00 O ATOM 1012 CB GLU A 61 14.314 8.943 -2.780 1.00 15.00 C ATOM 1013 CG GLU A 61 15.126 9.767 -3.741 1.00 15.00 C ATOM 1014 CD GLU A 61 16.560 9.288 -3.798 1.00 15.00 C ATOM 1015 OE1 GLU A 61 16.797 8.063 -3.804 1.00 15.00 O ATOM 1016 OE2 GLU A 61 17.483 10.122 -3.831 1.00 15.00 O ATOM 0 H GLU A 61 11.977 8.771 -0.747 1.00 15.00 H new ATOM 0 HA GLU A 61 12.598 10.275 -2.299 1.00 15.00 H new ATOM 0 HB2 GLU A 61 14.773 9.034 -1.796 1.00 15.00 H new ATOM 0 HB3 GLU A 61 14.406 7.899 -3.079 1.00 15.00 H new ATOM 0 HG2 GLU A 61 14.682 9.713 -4.735 1.00 15.00 H new ATOM 0 HG3 GLU A 61 15.101 10.814 -3.437 1.00 15.00 H new ATOM 1023 N VAL A 62 11.238 8.156 -4.146 1.00 15.00 N ATOM 1024 CA VAL A 62 10.684 7.741 -5.451 1.00 15.00 C ATOM 1025 C VAL A 62 9.983 8.937 -6.076 1.00 15.00 C ATOM 1026 O VAL A 62 10.257 9.365 -7.181 1.00 15.00 O ATOM 1027 CB VAL A 62 9.681 6.551 -5.318 1.00 15.00 C ATOM 1028 CG1 VAL A 62 9.139 6.147 -6.678 1.00 15.00 C ATOM 1029 CG2 VAL A 62 10.338 5.354 -4.656 1.00 15.00 C ATOM 0 H VAL A 62 10.909 7.596 -3.360 1.00 15.00 H new ATOM 0 HA VAL A 62 11.505 7.396 -6.080 1.00 15.00 H new ATOM 0 HB VAL A 62 8.855 6.888 -4.692 1.00 15.00 H new ATOM 0 HG11 VAL A 62 8.443 5.317 -6.560 1.00 15.00 H new ATOM 0 HG12 VAL A 62 8.621 6.993 -7.129 1.00 15.00 H new ATOM 0 HG13 VAL A 62 9.963 5.841 -7.322 1.00 15.00 H new ATOM 0 HG21 VAL A 62 9.617 4.541 -4.576 1.00 15.00 H new ATOM 0 HG22 VAL A 62 11.188 5.028 -5.255 1.00 15.00 H new ATOM 0 HG23 VAL A 62 10.682 5.632 -3.660 1.00 15.00 H new ATOM 1039 N ILE A 63 9.111 9.464 -5.272 1.00 15.00 N ATOM 1040 CA ILE A 63 8.334 10.655 -5.579 1.00 15.00 C ATOM 1041 C ILE A 63 8.339 11.657 -4.430 1.00 15.00 C ATOM 1042 O ILE A 63 7.565 12.597 -4.445 1.00 15.00 O ATOM 1043 CB ILE A 63 6.882 10.335 -6.026 1.00 15.00 C ATOM 1044 CG1 ILE A 63 6.151 9.495 -4.962 1.00 15.00 C ATOM 1045 CG2 ILE A 63 6.856 9.662 -7.399 1.00 15.00 C ATOM 1046 CD1 ILE A 63 4.696 9.223 -5.280 1.00 15.00 C ATOM 0 H ILE A 63 8.904 9.075 -4.352 1.00 15.00 H new ATOM 0 HA ILE A 63 8.834 11.117 -6.430 1.00 15.00 H new ATOM 0 HB ILE A 63 6.345 11.278 -6.124 1.00 15.00 H new ATOM 0 HG12 ILE A 63 6.670 8.544 -4.846 1.00 15.00 H new ATOM 0 HG13 ILE A 63 6.212 10.010 -4.003 1.00 15.00 H new ATOM 0 HG21 ILE A 63 5.825 9.452 -7.682 1.00 15.00 H new ATOM 0 HG22 ILE A 63 7.307 10.325 -8.138 1.00 15.00 H new ATOM 0 HG23 ILE A 63 7.418 8.729 -7.358 1.00 15.00 H new ATOM 0 HD11 ILE A 63 4.255 8.626 -4.482 1.00 15.00 H new ATOM 0 HD12 ILE A 63 4.160 10.168 -5.366 1.00 15.00 H new ATOM 0 HD13 ILE A 63 4.625 8.679 -6.222 1.00 15.00 H new ATOM 1058 N GLU A 64 9.140 11.405 -3.380 1.00 15.00 N ATOM 1059 CA GLU A 64 9.156 12.480 -2.291 1.00 15.00 C ATOM 1060 C GLU A 64 9.976 13.637 -2.990 1.00 15.00 C ATOM 1061 O GLU A 64 11.055 13.399 -3.558 1.00 15.00 O ATOM 1062 CB GLU A 64 9.642 12.014 -0.921 1.00 15.00 C ATOM 1063 CG GLU A 64 9.309 12.945 0.263 1.00 15.00 C ATOM 1064 CD GLU A 64 9.776 14.375 0.114 1.00 15.00 C ATOM 1065 OE1 GLU A 64 10.955 14.661 0.395 1.00 15.00 O ATOM 1066 OE2 GLU A 64 8.953 15.221 -0.309 1.00 15.00 O ATOM 0 H GLU A 64 9.728 10.584 -3.237 1.00 15.00 H new ATOM 0 HA GLU A 64 8.164 12.811 -1.983 1.00 15.00 H new ATOM 0 HB2 GLU A 64 9.213 11.033 -0.719 1.00 15.00 H new ATOM 0 HB3 GLU A 64 10.724 11.886 -0.965 1.00 15.00 H new ATOM 0 HG2 GLU A 64 8.229 12.947 0.409 1.00 15.00 H new ATOM 0 HG3 GLU A 64 9.753 12.528 1.167 1.00 15.00 H new ATOM 1073 N GLU A 65 9.435 14.823 -2.956 1.00 15.00 N ATOM 1074 CA GLU A 65 9.832 15.892 -3.862 1.00 15.00 C ATOM 1075 C GLU A 65 10.560 17.068 -3.209 1.00 15.00 C ATOM 1076 O GLU A 65 11.772 17.249 -3.326 1.00 15.00 O ATOM 1077 CB GLU A 65 8.573 16.483 -4.476 1.00 15.00 C ATOM 1078 CG GLU A 65 7.687 15.573 -5.259 1.00 15.00 C ATOM 1079 CD GLU A 65 6.459 16.320 -5.658 1.00 15.00 C ATOM 1080 OE1 GLU A 65 5.545 16.462 -4.811 1.00 15.00 O ATOM 1081 OE2 GLU A 65 6.410 16.854 -6.772 1.00 15.00 O ATOM 0 H GLU A 65 8.701 15.088 -2.299 1.00 15.00 H new ATOM 0 HA GLU A 65 10.518 15.427 -4.570 1.00 15.00 H new ATOM 0 HB2 GLU A 65 7.980 16.917 -3.671 1.00 15.00 H new ATOM 0 HB3 GLU A 65 8.872 17.303 -5.129 1.00 15.00 H new ATOM 0 HG2 GLU A 65 8.209 15.207 -6.143 1.00 15.00 H new ATOM 0 HG3 GLU A 65 7.420 14.701 -4.662 1.00 15.00 H new ATOM 1088 N LYS A 66 9.762 17.828 -2.519 1.00 15.00 N ATOM 1089 CA LYS A 66 10.075 19.182 -2.144 1.00 15.00 C ATOM 1090 C LYS A 66 10.145 19.379 -0.664 1.00 15.00 C ATOM 1091 O LYS A 66 9.306 18.854 0.071 1.00 15.00 O ATOM 1092 CB LYS A 66 9.025 20.113 -2.792 1.00 15.00 C ATOM 1093 CG LYS A 66 7.561 19.627 -2.646 1.00 15.00 C ATOM 1094 CD LYS A 66 6.576 20.552 -3.356 1.00 15.00 C ATOM 1095 CE LYS A 66 5.123 20.030 -3.310 1.00 15.00 C ATOM 1096 NZ LYS A 66 4.845 18.945 -4.306 1.00 15.00 N ATOM 0 H LYS A 66 8.848 17.517 -2.190 1.00 15.00 H new ATOM 0 HA LYS A 66 11.073 19.425 -2.509 1.00 15.00 H new ATOM 0 HB2 LYS A 66 9.112 21.104 -2.347 1.00 15.00 H new ATOM 0 HB3 LYS A 66 9.256 20.219 -3.852 1.00 15.00 H new ATOM 0 HG2 LYS A 66 7.471 18.620 -3.054 1.00 15.00 H new ATOM 0 HG3 LYS A 66 7.303 19.566 -1.589 1.00 15.00 H new ATOM 0 HD2 LYS A 66 6.617 21.540 -2.897 1.00 15.00 H new ATOM 0 HD3 LYS A 66 6.881 20.671 -4.396 1.00 15.00 H new ATOM 0 HE2 LYS A 66 4.912 19.656 -2.308 1.00 15.00 H new ATOM 0 HE3 LYS A 66 4.441 20.861 -3.490 1.00 15.00 H new ATOM 0 HZ1 LYS A 66 3.834 18.700 -4.280 1.00 15.00 H new ATOM 0 HZ2 LYS A 66 5.097 19.276 -5.259 1.00 15.00 H new ATOM 0 HZ3 LYS A 66 5.411 18.105 -4.071 1.00 15.00 H new ATOM 1110 N GLU A 67 11.086 20.183 -0.200 1.00 15.00 N ATOM 1111 CA GLU A 67 11.243 20.398 1.187 1.00 15.00 C ATOM 1112 C GLU A 67 10.761 21.808 1.476 1.00 15.00 C ATOM 1113 O GLU A 67 11.540 22.745 1.654 1.00 15.00 O ATOM 1114 CB GLU A 67 12.721 20.246 1.585 1.00 15.00 C ATOM 1115 CG GLU A 67 12.972 20.300 3.072 1.00 15.00 C ATOM 1116 CD GLU A 67 12.320 19.156 3.782 1.00 15.00 C ATOM 1117 OE1 GLU A 67 12.325 18.027 3.241 1.00 15.00 O ATOM 1118 OE2 GLU A 67 11.796 19.361 4.866 1.00 15.00 O ATOM 0 H GLU A 67 11.747 20.691 -0.787 1.00 15.00 H new ATOM 0 HA GLU A 67 10.671 19.669 1.760 1.00 15.00 H new ATOM 0 HB2 GLU A 67 13.093 19.297 1.200 1.00 15.00 H new ATOM 0 HB3 GLU A 67 13.298 21.034 1.102 1.00 15.00 H new ATOM 0 HG2 GLU A 67 14.045 20.282 3.261 1.00 15.00 H new ATOM 0 HG3 GLU A 67 12.593 21.241 3.472 1.00 15.00 H new ATOM 1125 N ILE A 68 9.494 21.959 1.405 1.00 15.00 N ATOM 1126 CA ILE A 68 8.807 23.137 1.718 1.00 15.00 C ATOM 1127 C ILE A 68 8.204 22.848 3.057 1.00 15.00 C ATOM 1128 O ILE A 68 7.043 22.565 3.181 1.00 15.00 O ATOM 1129 CB ILE A 68 7.678 23.375 0.601 1.00 15.00 C ATOM 1130 CG1 ILE A 68 6.796 24.607 0.913 1.00 15.00 C ATOM 1131 CG2 ILE A 68 6.849 22.119 0.274 1.00 15.00 C ATOM 1132 CD1 ILE A 68 5.801 24.957 -0.179 1.00 15.00 C ATOM 0 H ILE A 68 8.873 21.207 1.105 1.00 15.00 H new ATOM 0 HA ILE A 68 9.428 24.033 1.743 1.00 15.00 H new ATOM 0 HB ILE A 68 8.221 23.599 -0.317 1.00 15.00 H new ATOM 0 HG12 ILE A 68 6.251 24.424 1.839 1.00 15.00 H new ATOM 0 HG13 ILE A 68 7.443 25.467 1.088 1.00 15.00 H new ATOM 0 HG21 ILE A 68 6.108 22.360 -0.488 1.00 15.00 H new ATOM 0 HG22 ILE A 68 7.508 21.334 -0.096 1.00 15.00 H new ATOM 0 HG23 ILE A 68 6.343 21.772 1.175 1.00 15.00 H new ATOM 0 HD11 ILE A 68 5.224 25.832 0.121 1.00 15.00 H new ATOM 0 HD12 ILE A 68 6.337 25.175 -1.103 1.00 15.00 H new ATOM 0 HD13 ILE A 68 5.127 24.116 -0.340 1.00 15.00 H new ATOM 1144 N THR A 69 9.026 22.929 4.068 1.00 15.00 N ATOM 1145 CA THR A 69 8.713 22.298 5.356 1.00 15.00 C ATOM 1146 C THR A 69 7.868 23.346 6.191 1.00 15.00 C ATOM 1147 O THR A 69 8.013 23.517 7.403 1.00 15.00 O ATOM 1148 CB THR A 69 10.052 21.849 6.022 1.00 15.00 C ATOM 1149 OG1 THR A 69 9.838 21.063 7.174 1.00 15.00 O ATOM 1150 CG2 THR A 69 10.955 23.037 6.359 1.00 15.00 C ATOM 0 H THR A 69 9.919 23.421 4.042 1.00 15.00 H new ATOM 0 HA THR A 69 8.109 21.395 5.270 1.00 15.00 H new ATOM 0 HB THR A 69 10.561 21.233 5.281 1.00 15.00 H new ATOM 0 HG1 THR A 69 10.701 20.803 7.558 1.00 15.00 H new ATOM 0 HG21 THR A 69 11.874 22.676 6.820 1.00 15.00 H new ATOM 0 HG22 THR A 69 11.197 23.581 5.446 1.00 15.00 H new ATOM 0 HG23 THR A 69 10.438 23.702 7.051 1.00 15.00 H new ATOM 1158 N LEU A 70 6.944 23.937 5.512 1.00 15.00 N ATOM 1159 CA LEU A 70 6.120 24.993 5.928 1.00 15.00 C ATOM 1160 C LEU A 70 4.893 24.556 6.667 1.00 15.00 C ATOM 1161 O LEU A 70 4.199 23.768 6.068 1.00 15.00 O ATOM 1162 CB LEU A 70 5.451 25.310 4.515 1.00 15.00 C ATOM 1163 CG LEU A 70 4.473 26.493 4.471 1.00 15.00 C ATOM 1164 CD1 LEU A 70 5.181 27.799 4.786 1.00 15.00 C ATOM 1165 CD2 LEU A 70 3.788 26.563 3.116 1.00 15.00 C ATOM 0 H LEU A 70 6.736 23.654 4.555 1.00 15.00 H new ATOM 0 HA LEU A 70 6.679 25.719 6.519 1.00 15.00 H new ATOM 0 HB2 LEU A 70 6.247 25.498 3.795 1.00 15.00 H new ATOM 0 HB3 LEU A 70 4.923 24.418 4.180 1.00 15.00 H new ATOM 0 HG LEU A 70 3.712 26.335 5.235 1.00 15.00 H new ATOM 0 HD11 LEU A 70 4.465 28.620 4.748 1.00 15.00 H new ATOM 0 HD12 LEU A 70 5.618 27.745 5.783 1.00 15.00 H new ATOM 0 HD13 LEU A 70 5.970 27.971 4.053 1.00 15.00 H new ATOM 0 HD21 LEU A 70 3.098 27.407 3.100 1.00 15.00 H new ATOM 0 HD22 LEU A 70 4.538 26.693 2.336 1.00 15.00 H new ATOM 0 HD23 LEU A 70 3.236 25.640 2.939 1.00 15.00 H new ATOM 1177 N GLN A 71 4.615 24.958 7.971 1.00 15.00 N ATOM 1178 CA GLN A 71 3.258 24.801 8.621 1.00 15.00 C ATOM 1179 C GLN A 71 2.420 23.623 8.029 1.00 15.00 C ATOM 1180 O GLN A 71 2.691 22.461 8.300 1.00 15.00 O ATOM 1181 CB GLN A 71 2.547 26.179 8.320 1.00 15.00 C ATOM 1182 CG GLN A 71 1.300 26.505 9.158 1.00 15.00 C ATOM 1183 CD GLN A 71 0.722 27.867 8.822 1.00 15.00 C ATOM 1184 OE1 GLN A 71 0.839 28.362 7.696 1.00 15.00 O ATOM 1185 NE2 GLN A 71 0.092 28.474 9.779 1.00 15.00 N ATOM 0 H GLN A 71 5.311 25.388 8.580 1.00 15.00 H new ATOM 0 HA GLN A 71 3.353 24.565 9.681 1.00 15.00 H new ATOM 0 HB2 GLN A 71 3.275 26.977 8.466 1.00 15.00 H new ATOM 0 HB3 GLN A 71 2.264 26.194 7.267 1.00 15.00 H new ATOM 0 HG2 GLN A 71 0.542 25.740 8.991 1.00 15.00 H new ATOM 0 HG3 GLN A 71 1.558 26.473 10.217 1.00 15.00 H new ATOM 0 HE21 GLN A 71 0.014 28.036 10.697 1.00 15.00 H new ATOM 0 HE22 GLN A 71 -0.326 29.390 9.614 1.00 15.00 H new ATOM 1194 N GLU A 72 1.333 23.998 7.394 1.00 15.00 N ATOM 1195 CA GLU A 72 0.692 23.273 6.339 1.00 15.00 C ATOM 1196 C GLU A 72 0.807 24.194 5.186 1.00 15.00 C ATOM 1197 O GLU A 72 1.493 25.208 5.318 1.00 15.00 O ATOM 1198 CB GLU A 72 -0.806 23.153 6.659 1.00 15.00 C ATOM 1199 CG GLU A 72 -1.121 22.358 7.906 1.00 15.00 C ATOM 1200 CD GLU A 72 -2.592 22.234 8.109 1.00 15.00 C ATOM 1201 OE1 GLU A 72 -3.201 23.153 8.697 1.00 15.00 O ATOM 1202 OE2 GLU A 72 -3.195 21.229 7.658 1.00 15.00 O ATOM 0 H GLU A 72 0.851 24.868 7.619 1.00 15.00 H new ATOM 0 HA GLU A 72 1.116 22.281 6.182 1.00 15.00 H new ATOM 0 HB2 GLU A 72 -1.222 24.154 6.767 1.00 15.00 H new ATOM 0 HB3 GLU A 72 -1.309 22.689 5.811 1.00 15.00 H new ATOM 0 HG2 GLU A 72 -0.677 21.366 7.830 1.00 15.00 H new ATOM 0 HG3 GLU A 72 -0.671 22.843 8.773 1.00 15.00 H new ATOM 1209 N LEU A 73 0.230 23.895 4.053 1.00 15.00 N ATOM 1210 CA LEU A 73 -0.105 24.957 3.104 1.00 15.00 C ATOM 1211 C LEU A 73 -0.618 26.309 3.727 1.00 15.00 C ATOM 1212 O LEU A 73 0.138 27.211 4.040 1.00 15.00 O ATOM 1213 CB LEU A 73 -1.406 24.352 2.432 1.00 15.00 C ATOM 1214 CG LEU A 73 -1.272 23.020 1.703 1.00 15.00 C ATOM 1215 CD1 LEU A 73 -2.613 22.641 1.120 1.00 15.00 C ATOM 1216 CD2 LEU A 73 -0.218 23.097 0.602 1.00 15.00 C ATOM 0 H LEU A 73 -0.019 22.951 3.756 1.00 15.00 H new ATOM 0 HA LEU A 73 0.776 25.196 2.509 1.00 15.00 H new ATOM 0 HB2 LEU A 73 -2.161 24.235 3.209 1.00 15.00 H new ATOM 0 HB3 LEU A 73 -1.789 25.086 1.723 1.00 15.00 H new ATOM 0 HG LEU A 73 -0.950 22.259 2.414 1.00 15.00 H new ATOM 0 HD11 LEU A 73 -2.526 21.689 0.596 1.00 15.00 H new ATOM 0 HD12 LEU A 73 -3.345 22.549 1.922 1.00 15.00 H new ATOM 0 HD13 LEU A 73 -2.936 23.412 0.420 1.00 15.00 H new ATOM 0 HD21 LEU A 73 -0.145 22.132 0.100 1.00 15.00 H new ATOM 0 HD22 LEU A 73 -0.502 23.862 -0.121 1.00 15.00 H new ATOM 0 HD23 LEU A 73 0.747 23.352 1.039 1.00 15.00 H new ATOM 1228 N ILE A 74 -1.942 26.423 3.786 1.00 15.00 N ATOM 1229 CA ILE A 74 -2.684 27.451 4.495 1.00 15.00 C ATOM 1230 C ILE A 74 -3.423 26.799 5.663 1.00 15.00 C ATOM 1231 O ILE A 74 -2.809 26.718 6.788 1.00 15.00 O ATOM 1232 CB ILE A 74 -3.704 28.132 3.549 1.00 15.00 C ATOM 1233 CG1 ILE A 74 -4.432 29.284 4.241 1.00 15.00 C ATOM 1234 CG2 ILE A 74 -4.702 27.105 2.992 1.00 15.00 C ATOM 1235 CD1 ILE A 74 -5.366 30.043 3.318 1.00 15.00 C ATOM 0 H ILE A 74 -2.557 25.761 3.312 1.00 15.00 H new ATOM 0 HA ILE A 74 -1.993 28.211 4.861 1.00 15.00 H new ATOM 0 HB ILE A 74 -3.147 28.555 2.713 1.00 15.00 H new ATOM 0 HG12 ILE A 74 -5.003 28.891 5.082 1.00 15.00 H new ATOM 0 HG13 ILE A 74 -3.696 29.976 4.651 1.00 15.00 H new ATOM 0 HG21 ILE A 74 -5.409 27.606 2.330 1.00 15.00 H new ATOM 0 HG22 ILE A 74 -4.163 26.339 2.434 1.00 15.00 H new ATOM 0 HG23 ILE A 74 -5.244 26.640 3.816 1.00 15.00 H new ATOM 0 HD11 ILE A 74 -5.851 30.847 3.872 1.00 15.00 H new ATOM 0 HD12 ILE A 74 -4.796 30.465 2.490 1.00 15.00 H new ATOM 0 HD13 ILE A 74 -6.123 29.363 2.928 1.00 15.00 H new