USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 791 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 GLY N :NH3+ -115:sc= 0.102 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 151:sc= 1.28 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.0096) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 17 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.00972) USER MOD Single : A 24 ASN : amide:sc= 1.99 K(o=2,f=-5.5!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.965 K(o=0.97,f=-4.8!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot -130:sc= -0.0972 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ -166:sc= 0.739 (180deg=0.5) USER MOD Single : A 58 TYR OH : rot 172:sc= 0.632 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0.00427 K(o=0.0043,f=-0.76) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot -141:sc= 1.31 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 29:sc= 1.28 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -165:sc= 0.293 (180deg=-0.324) USER MOD Single : A 90 ASN : amide:sc= -0.0597 K(o=-0.06,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.731 -11.470 -10.942 1.00 0.00 N ATOM 2 CA GLY A 1 8.368 -11.066 -9.675 1.00 0.00 C ATOM 3 C GLY A 1 7.674 -11.707 -8.476 1.00 0.00 C ATOM 4 O GLY A 1 6.565 -12.224 -8.601 1.00 0.00 O ATOM 0 H1 GLY A 1 8.402 -12.030 -11.505 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.887 -12.043 -10.739 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.454 -10.622 -11.477 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.419 -11.354 -9.686 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.336 -9.981 -9.579 1.00 0.00 H new ATOM 10 N GLU A 2 8.335 -11.682 -7.318 1.00 0.00 N ATOM 11 CA GLU A 2 7.795 -12.239 -6.091 1.00 0.00 C ATOM 12 C GLU A 2 6.516 -11.491 -5.705 1.00 0.00 C ATOM 13 O GLU A 2 6.455 -10.272 -5.849 1.00 0.00 O ATOM 14 CB GLU A 2 8.821 -12.125 -4.951 1.00 0.00 C ATOM 15 CG GLU A 2 10.119 -12.922 -5.167 1.00 0.00 C ATOM 16 CD GLU A 2 11.091 -12.315 -6.179 1.00 0.00 C ATOM 17 OE1 GLU A 2 10.909 -11.126 -6.529 1.00 0.00 O ATOM 18 OE2 GLU A 2 12.005 -13.060 -6.594 1.00 0.00 O ATOM 0 H GLU A 2 9.263 -11.272 -7.211 1.00 0.00 H new ATOM 0 HA GLU A 2 7.568 -13.292 -6.256 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.075 -11.074 -4.814 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.354 -12.463 -4.026 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.630 -13.021 -4.209 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.859 -13.929 -5.495 1.00 0.00 H new ATOM 25 N TRP A 3 5.527 -12.223 -5.196 1.00 0.00 N ATOM 26 CA TRP A 3 4.349 -11.681 -4.544 1.00 0.00 C ATOM 27 C TRP A 3 4.171 -12.489 -3.267 1.00 0.00 C ATOM 28 O TRP A 3 4.429 -13.692 -3.271 1.00 0.00 O ATOM 29 CB TRP A 3 3.115 -11.788 -5.443 1.00 0.00 C ATOM 30 CG TRP A 3 2.961 -10.690 -6.448 1.00 0.00 C ATOM 31 CD1 TRP A 3 3.262 -10.770 -7.763 1.00 0.00 C ATOM 32 CD2 TRP A 3 2.471 -9.331 -6.232 1.00 0.00 C ATOM 33 NE1 TRP A 3 2.954 -9.576 -8.380 1.00 0.00 N ATOM 34 CE2 TRP A 3 2.464 -8.648 -7.482 1.00 0.00 C ATOM 35 CE3 TRP A 3 2.029 -8.603 -5.104 1.00 0.00 C ATOM 36 CZ2 TRP A 3 2.032 -7.318 -7.611 1.00 0.00 C ATOM 37 CZ3 TRP A 3 1.647 -7.252 -5.212 1.00 0.00 C ATOM 38 CH2 TRP A 3 1.629 -6.615 -6.465 1.00 0.00 C ATOM 0 H TRP A 3 5.529 -13.242 -5.230 1.00 0.00 H new ATOM 0 HA TRP A 3 4.471 -10.619 -4.329 1.00 0.00 H new ATOM 0 HB2 TRP A 3 3.152 -12.740 -5.972 1.00 0.00 H new ATOM 0 HB3 TRP A 3 2.226 -11.808 -4.812 1.00 0.00 H new ATOM 0 HD1 TRP A 3 3.680 -11.636 -8.255 1.00 0.00 H new ATOM 0 HE1 TRP A 3 3.073 -9.400 -9.378 1.00 0.00 H new ATOM 0 HE3 TRP A 3 1.983 -9.092 -4.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 2.010 -6.842 -8.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 1.366 -6.702 -4.326 1.00 0.00 H new ATOM 0 HH2 TRP A 3 1.306 -5.588 -6.546 1.00 0.00 H new ATOM 49 N GLU A 4 3.764 -11.842 -2.176 1.00 0.00 N ATOM 50 CA GLU A 4 3.610 -12.447 -0.883 1.00 0.00 C ATOM 51 C GLU A 4 2.747 -11.513 -0.045 1.00 0.00 C ATOM 52 O GLU A 4 2.677 -10.315 -0.334 1.00 0.00 O ATOM 53 CB GLU A 4 4.972 -12.697 -0.238 1.00 0.00 C ATOM 54 CG GLU A 4 5.933 -11.503 -0.147 1.00 0.00 C ATOM 55 CD GLU A 4 6.769 -11.307 -1.409 1.00 0.00 C ATOM 56 OE1 GLU A 4 7.575 -12.218 -1.693 1.00 0.00 O ATOM 57 OE2 GLU A 4 6.608 -10.249 -2.052 1.00 0.00 O ATOM 0 H GLU A 4 3.528 -10.850 -2.183 1.00 0.00 H new ATOM 0 HA GLU A 4 3.127 -13.421 -0.963 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.804 -13.074 0.771 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.470 -13.490 -0.796 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.359 -10.597 0.045 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.599 -11.645 0.704 1.00 0.00 H new ATOM 64 N ILE A 5 2.080 -12.083 0.956 1.00 0.00 N ATOM 65 CA ILE A 5 1.124 -11.399 1.804 1.00 0.00 C ATOM 66 C ILE A 5 1.839 -11.022 3.102 1.00 0.00 C ATOM 67 O ILE A 5 2.614 -11.825 3.618 1.00 0.00 O ATOM 68 CB ILE A 5 -0.087 -12.311 2.081 1.00 0.00 C ATOM 69 CG1 ILE A 5 -0.571 -13.090 0.840 1.00 0.00 C ATOM 70 CG2 ILE A 5 -1.254 -11.473 2.619 1.00 0.00 C ATOM 71 CD1 ILE A 5 0.002 -14.511 0.755 1.00 0.00 C ATOM 0 H ILE A 5 2.199 -13.066 1.202 1.00 0.00 H new ATOM 0 HA ILE A 5 0.748 -10.500 1.316 1.00 0.00 H new ATOM 0 HB ILE A 5 0.247 -13.045 2.815 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.660 -13.145 0.856 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.292 -12.539 -0.058 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.108 -12.121 2.814 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.953 -10.982 3.544 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.531 -10.719 1.882 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.378 -15.004 -0.140 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.090 -14.462 0.708 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.299 -15.078 1.636 1.00 0.00 H new ATOM 83 N ILE A 6 1.582 -9.825 3.626 1.00 0.00 N ATOM 84 CA ILE A 6 2.051 -9.396 4.933 1.00 0.00 C ATOM 85 C ILE A 6 0.901 -9.465 5.941 1.00 0.00 C ATOM 86 O ILE A 6 -0.271 -9.382 5.571 1.00 0.00 O ATOM 87 CB ILE A 6 2.677 -7.993 4.850 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.683 -6.915 4.384 1.00 0.00 C ATOM 89 CG2 ILE A 6 3.916 -8.031 3.940 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.228 -5.498 4.576 1.00 0.00 C ATOM 0 H ILE A 6 1.031 -9.116 3.141 1.00 0.00 H new ATOM 0 HA ILE A 6 2.836 -10.068 5.280 1.00 0.00 H new ATOM 0 HB ILE A 6 2.974 -7.710 5.860 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.448 -7.072 3.331 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.750 -7.021 4.938 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.357 -7.036 3.884 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.647 -8.729 4.349 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.624 -8.356 2.941 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.489 -4.774 4.232 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.437 -5.329 5.632 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.146 -5.380 4.001 1.00 0.00 H new ATOM 102 N ASP A 7 1.237 -9.627 7.222 1.00 0.00 N ATOM 103 CA ASP A 7 0.260 -9.700 8.291 1.00 0.00 C ATOM 104 C ASP A 7 -0.293 -8.311 8.560 1.00 0.00 C ATOM 105 O ASP A 7 0.466 -7.353 8.688 1.00 0.00 O ATOM 106 CB ASP A 7 0.906 -10.199 9.588 1.00 0.00 C ATOM 107 CG ASP A 7 1.466 -11.608 9.450 1.00 0.00 C ATOM 108 OD1 ASP A 7 2.644 -11.708 9.043 1.00 0.00 O ATOM 109 OD2 ASP A 7 0.700 -12.554 9.736 1.00 0.00 O ATOM 0 H ASP A 7 2.202 -9.711 7.541 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.527 -10.388 7.983 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.707 -9.519 9.877 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.167 -10.181 10.389 1.00 0.00 H new ATOM 114 N ILE A 8 -1.608 -8.194 8.691 1.00 0.00 N ATOM 115 CA ILE A 8 -2.229 -7.017 9.240 1.00 0.00 C ATOM 116 C ILE A 8 -1.743 -6.871 10.688 1.00 0.00 C ATOM 117 O ILE A 8 -1.542 -7.870 11.377 1.00 0.00 O ATOM 118 CB ILE A 8 -3.751 -7.165 9.103 1.00 0.00 C ATOM 119 CG1 ILE A 8 -4.338 -8.345 9.902 1.00 0.00 C ATOM 120 CG2 ILE A 8 -4.118 -7.236 7.614 1.00 0.00 C ATOM 121 CD1 ILE A 8 -5.868 -8.397 9.824 1.00 0.00 C ATOM 0 H ILE A 8 -2.268 -8.921 8.415 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.958 -6.103 8.712 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.209 -6.283 9.550 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.925 -9.279 9.522 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.032 -8.262 10.945 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.198 -7.341 7.510 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.793 -6.323 7.115 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.624 -8.094 7.158 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.233 -9.245 10.403 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.285 -7.475 10.229 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.176 -8.508 8.784 1.00 0.00 H new ATOM 133 N GLY A 9 -1.488 -5.642 11.134 1.00 0.00 N ATOM 134 CA GLY A 9 -0.801 -5.382 12.387 1.00 0.00 C ATOM 135 C GLY A 9 -0.196 -3.981 12.321 1.00 0.00 C ATOM 136 O GLY A 9 -0.509 -3.248 11.381 1.00 0.00 O ATOM 0 H GLY A 9 -1.756 -4.797 10.629 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.496 -5.456 13.223 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.021 -6.125 12.554 1.00 0.00 H new ATOM 140 N PRO A 10 0.669 -3.599 13.276 1.00 0.00 N ATOM 141 CA PRO A 10 1.137 -2.229 13.433 1.00 0.00 C ATOM 142 C PRO A 10 1.789 -1.677 12.164 1.00 0.00 C ATOM 143 O PRO A 10 1.443 -0.582 11.735 1.00 0.00 O ATOM 144 CB PRO A 10 2.080 -2.235 14.641 1.00 0.00 C ATOM 145 CG PRO A 10 2.465 -3.705 14.816 1.00 0.00 C ATOM 146 CD PRO A 10 1.229 -4.450 14.312 1.00 0.00 C ATOM 0 HA PRO A 10 0.301 -1.551 13.606 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.957 -1.613 14.463 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.587 -1.845 15.532 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.353 -3.961 14.238 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.683 -3.943 15.857 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.494 -5.430 13.916 1.00 0.00 H new ATOM 0 HD3 PRO A 10 0.513 -4.614 15.117 1.00 0.00 H new ATOM 154 N PHE A 11 2.714 -2.422 11.551 1.00 0.00 N ATOM 155 CA PHE A 11 3.364 -2.031 10.303 1.00 0.00 C ATOM 156 C PHE A 11 2.327 -1.671 9.230 1.00 0.00 C ATOM 157 O PHE A 11 2.343 -0.591 8.641 1.00 0.00 O ATOM 158 CB PHE A 11 4.268 -3.182 9.834 1.00 0.00 C ATOM 159 CG PHE A 11 4.942 -2.961 8.493 1.00 0.00 C ATOM 160 CD1 PHE A 11 6.208 -2.353 8.427 1.00 0.00 C ATOM 161 CD2 PHE A 11 4.330 -3.427 7.313 1.00 0.00 C ATOM 162 CE1 PHE A 11 6.868 -2.230 7.191 1.00 0.00 C ATOM 163 CE2 PHE A 11 4.983 -3.286 6.075 1.00 0.00 C ATOM 164 CZ PHE A 11 6.253 -2.689 6.014 1.00 0.00 C ATOM 0 H PHE A 11 3.033 -3.321 11.913 1.00 0.00 H new ATOM 0 HA PHE A 11 3.970 -1.141 10.473 1.00 0.00 H new ATOM 0 HB2 PHE A 11 5.038 -3.350 10.587 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.672 -4.093 9.779 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.674 -1.980 9.327 1.00 0.00 H new ATOM 0 HD2 PHE A 11 3.357 -3.894 7.359 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.850 -1.782 7.147 1.00 0.00 H new ATOM 0 HE2 PHE A 11 4.508 -3.637 5.171 1.00 0.00 H new ATOM 0 HZ PHE A 11 6.756 -2.583 5.064 1.00 0.00 H new ATOM 174 N THR A 12 1.418 -2.605 8.972 1.00 0.00 N ATOM 175 CA THR A 12 0.453 -2.527 7.894 1.00 0.00 C ATOM 176 C THR A 12 -0.542 -1.402 8.164 1.00 0.00 C ATOM 177 O THR A 12 -0.837 -0.592 7.284 1.00 0.00 O ATOM 178 CB THR A 12 -0.184 -3.909 7.770 1.00 0.00 C ATOM 179 OG1 THR A 12 0.879 -4.841 7.777 1.00 0.00 O ATOM 180 CG2 THR A 12 -1.009 -4.074 6.495 1.00 0.00 C ATOM 0 H THR A 12 1.334 -3.458 9.525 1.00 0.00 H new ATOM 0 HA THR A 12 0.912 -2.275 6.938 1.00 0.00 H new ATOM 0 HB THR A 12 -0.878 -4.061 8.596 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.566 -5.691 8.152 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.436 -5.077 6.465 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.812 -3.337 6.484 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.369 -3.926 5.626 1.00 0.00 H new ATOM 188 N GLN A 13 -1.022 -1.318 9.407 1.00 0.00 N ATOM 189 CA GLN A 13 -1.840 -0.216 9.853 1.00 0.00 C ATOM 190 C GLN A 13 -1.103 1.099 9.632 1.00 0.00 C ATOM 191 O GLN A 13 -1.676 2.007 9.048 1.00 0.00 O ATOM 192 CB GLN A 13 -2.232 -0.417 11.317 1.00 0.00 C ATOM 193 CG GLN A 13 -3.309 -1.499 11.452 1.00 0.00 C ATOM 194 CD GLN A 13 -3.733 -1.666 12.904 1.00 0.00 C ATOM 195 OE1 GLN A 13 -3.273 -2.571 13.590 1.00 0.00 O ATOM 196 NE2 GLN A 13 -4.613 -0.790 13.386 1.00 0.00 N ATOM 0 H GLN A 13 -0.847 -2.021 10.126 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.760 -0.179 9.270 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.353 -0.699 11.897 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.600 0.522 11.731 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.174 -1.234 10.845 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.929 -2.446 11.069 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.975 -0.049 12.786 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.924 -0.860 14.355 1.00 0.00 H new ATOM 205 N ASN A 14 0.157 1.205 10.058 1.00 0.00 N ATOM 206 CA ASN A 14 0.957 2.409 9.876 1.00 0.00 C ATOM 207 C ASN A 14 1.035 2.794 8.401 1.00 0.00 C ATOM 208 O ASN A 14 0.823 3.953 8.060 1.00 0.00 O ATOM 209 CB ASN A 14 2.359 2.222 10.465 1.00 0.00 C ATOM 210 CG ASN A 14 3.200 3.488 10.330 1.00 0.00 C ATOM 211 OD1 ASN A 14 2.706 4.597 10.503 1.00 0.00 O ATOM 212 ND2 ASN A 14 4.486 3.341 10.023 1.00 0.00 N ATOM 0 H ASN A 14 0.649 0.453 10.540 1.00 0.00 H new ATOM 0 HA ASN A 14 0.469 3.224 10.411 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.278 1.949 11.517 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.860 1.397 9.959 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.084 4.161 9.927 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.874 2.408 9.884 1.00 0.00 H new ATOM 219 N LEU A 15 1.308 1.829 7.516 1.00 0.00 N ATOM 220 CA LEU A 15 1.304 2.080 6.077 1.00 0.00 C ATOM 221 C LEU A 15 -0.040 2.654 5.638 1.00 0.00 C ATOM 222 O LEU A 15 -0.092 3.688 4.973 1.00 0.00 O ATOM 223 CB LEU A 15 1.602 0.799 5.284 1.00 0.00 C ATOM 224 CG LEU A 15 3.095 0.553 5.027 1.00 0.00 C ATOM 225 CD1 LEU A 15 3.248 -0.820 4.365 1.00 0.00 C ATOM 226 CD2 LEU A 15 3.678 1.601 4.071 1.00 0.00 C ATOM 0 H LEU A 15 1.534 0.868 7.774 1.00 0.00 H new ATOM 0 HA LEU A 15 2.091 2.805 5.869 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.192 -0.054 5.825 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.083 0.848 4.327 1.00 0.00 H new ATOM 0 HG LEU A 15 3.623 0.609 5.979 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.303 -1.016 4.173 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.851 -1.589 5.027 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.699 -0.833 3.423 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.737 1.398 3.910 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.151 1.557 3.118 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.561 2.594 4.505 1.00 0.00 H new ATOM 238 N GLY A 16 -1.133 1.986 6.006 1.00 0.00 N ATOM 239 CA GLY A 16 -2.469 2.458 5.665 1.00 0.00 C ATOM 240 C GLY A 16 -2.706 3.877 6.179 1.00 0.00 C ATOM 241 O GLY A 16 -3.226 4.734 5.466 1.00 0.00 O ATOM 0 H GLY A 16 -1.117 1.117 6.540 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.600 2.435 4.583 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.214 1.786 6.091 1.00 0.00 H new ATOM 245 N LYS A 17 -2.314 4.123 7.428 1.00 0.00 N ATOM 246 CA LYS A 17 -2.484 5.404 8.080 1.00 0.00 C ATOM 247 C LYS A 17 -1.737 6.463 7.278 1.00 0.00 C ATOM 248 O LYS A 17 -2.309 7.480 6.909 1.00 0.00 O ATOM 249 CB LYS A 17 -1.971 5.345 9.531 1.00 0.00 C ATOM 250 CG LYS A 17 -2.801 6.204 10.495 1.00 0.00 C ATOM 251 CD LYS A 17 -3.031 7.604 9.923 1.00 0.00 C ATOM 252 CE LYS A 17 -3.673 8.561 10.935 1.00 0.00 C ATOM 253 NZ LYS A 17 -2.724 8.977 11.982 1.00 0.00 N ATOM 0 H LYS A 17 -1.864 3.423 8.017 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.543 5.661 8.119 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.983 4.310 9.873 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.933 5.678 9.558 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.760 5.722 10.683 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.289 6.279 11.454 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.078 8.018 9.593 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.670 7.532 9.043 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.046 9.442 10.414 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.533 8.076 11.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.173 9.687 12.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.452 8.151 12.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.877 9.387 11.540 1.00 0.00 H new ATOM 267 N PHE A 18 -0.460 6.204 7.000 1.00 0.00 N ATOM 268 CA PHE A 18 0.385 7.024 6.146 1.00 0.00 C ATOM 269 C PHE A 18 -0.323 7.311 4.822 1.00 0.00 C ATOM 270 O PHE A 18 -0.390 8.461 4.395 1.00 0.00 O ATOM 271 CB PHE A 18 1.762 6.358 5.947 1.00 0.00 C ATOM 272 CG PHE A 18 2.402 6.661 4.605 1.00 0.00 C ATOM 273 CD1 PHE A 18 2.801 7.981 4.318 1.00 0.00 C ATOM 274 CD2 PHE A 18 2.216 5.748 3.547 1.00 0.00 C ATOM 275 CE1 PHE A 18 2.886 8.416 2.984 1.00 0.00 C ATOM 276 CE2 PHE A 18 2.265 6.194 2.217 1.00 0.00 C ATOM 277 CZ PHE A 18 2.540 7.541 1.940 1.00 0.00 C ATOM 0 H PHE A 18 0.026 5.391 7.377 1.00 0.00 H new ATOM 0 HA PHE A 18 0.565 7.984 6.631 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.432 6.687 6.741 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.651 5.279 6.050 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.042 8.659 5.123 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.036 4.705 3.760 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.216 9.420 2.762 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.091 5.500 1.408 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.486 7.906 0.925 1.00 0.00 H new ATOM 287 N ALA A 19 -0.870 6.278 4.181 1.00 0.00 N ATOM 288 CA ALA A 19 -1.544 6.442 2.904 1.00 0.00 C ATOM 289 C ALA A 19 -2.686 7.447 3.045 1.00 0.00 C ATOM 290 O ALA A 19 -2.768 8.414 2.289 1.00 0.00 O ATOM 291 CB ALA A 19 -2.022 5.093 2.361 1.00 0.00 C ATOM 0 H ALA A 19 -0.857 5.320 4.530 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.839 6.840 2.175 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.523 5.243 1.405 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.166 4.433 2.223 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.718 4.642 3.069 1.00 0.00 H new ATOM 297 N VAL A 20 -3.539 7.243 4.049 1.00 0.00 N ATOM 298 CA VAL A 20 -4.636 8.165 4.325 1.00 0.00 C ATOM 299 C VAL A 20 -4.101 9.558 4.671 1.00 0.00 C ATOM 300 O VAL A 20 -4.671 10.556 4.243 1.00 0.00 O ATOM 301 CB VAL A 20 -5.564 7.609 5.418 1.00 0.00 C ATOM 302 CG1 VAL A 20 -6.630 8.641 5.814 1.00 0.00 C ATOM 303 CG2 VAL A 20 -6.277 6.357 4.890 1.00 0.00 C ATOM 0 H VAL A 20 -3.490 6.446 4.684 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.237 8.266 3.422 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.956 7.371 6.291 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.272 8.222 6.588 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.143 9.539 6.193 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.232 8.895 4.942 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.936 5.960 5.663 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.865 6.617 4.010 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.537 5.603 4.622 1.00 0.00 H new ATOM 313 N ASP A 21 -3.015 9.644 5.437 1.00 0.00 N ATOM 314 CA ASP A 21 -2.417 10.905 5.836 1.00 0.00 C ATOM 315 C ASP A 21 -1.970 11.683 4.601 1.00 0.00 C ATOM 316 O ASP A 21 -2.306 12.852 4.464 1.00 0.00 O ATOM 317 CB ASP A 21 -1.265 10.659 6.818 1.00 0.00 C ATOM 318 CG ASP A 21 -0.562 11.965 7.169 1.00 0.00 C ATOM 319 OD1 ASP A 21 -1.081 12.663 8.067 1.00 0.00 O ATOM 320 OD2 ASP A 21 0.477 12.241 6.532 1.00 0.00 O ATOM 0 H ASP A 21 -2.524 8.827 5.799 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.157 11.513 6.356 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.649 10.192 7.725 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.550 9.963 6.379 1.00 0.00 H new ATOM 325 N GLU A 22 -1.251 11.028 3.688 1.00 0.00 N ATOM 326 CA GLU A 22 -0.828 11.601 2.418 1.00 0.00 C ATOM 327 C GLU A 22 -2.062 12.061 1.639 1.00 0.00 C ATOM 328 O GLU A 22 -2.154 13.205 1.197 1.00 0.00 O ATOM 329 CB GLU A 22 -0.027 10.552 1.619 1.00 0.00 C ATOM 330 CG GLU A 22 0.603 11.132 0.346 1.00 0.00 C ATOM 331 CD GLU A 22 1.709 12.132 0.669 1.00 0.00 C ATOM 332 OE1 GLU A 22 2.823 11.656 0.976 1.00 0.00 O ATOM 333 OE2 GLU A 22 1.419 13.347 0.616 1.00 0.00 O ATOM 0 H GLU A 22 -0.942 10.065 3.818 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.184 12.463 2.591 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.758 10.140 2.253 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.685 9.726 1.350 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.010 10.323 -0.260 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.167 11.621 -0.251 1.00 0.00 H new ATOM 340 N GLU A 23 -3.017 11.145 1.477 1.00 0.00 N ATOM 341 CA GLU A 23 -4.241 11.357 0.723 1.00 0.00 C ATOM 342 C GLU A 23 -4.972 12.601 1.235 1.00 0.00 C ATOM 343 O GLU A 23 -5.395 13.446 0.447 1.00 0.00 O ATOM 344 CB GLU A 23 -5.096 10.088 0.852 1.00 0.00 C ATOM 345 CG GLU A 23 -6.305 10.055 -0.083 1.00 0.00 C ATOM 346 CD GLU A 23 -5.945 9.908 -1.558 1.00 0.00 C ATOM 347 OE1 GLU A 23 -4.783 9.548 -1.847 1.00 0.00 O ATOM 348 OE2 GLU A 23 -6.854 10.148 -2.379 1.00 0.00 O ATOM 0 H GLU A 23 -2.953 10.210 1.880 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.025 11.537 -0.330 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.470 9.219 0.651 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.443 9.999 1.881 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.953 9.228 0.206 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.880 10.971 0.051 1.00 0.00 H new ATOM 355 N ASN A 24 -5.099 12.711 2.558 1.00 0.00 N ATOM 356 CA ASN A 24 -5.742 13.806 3.254 1.00 0.00 C ATOM 357 C ASN A 24 -4.908 15.080 3.134 1.00 0.00 C ATOM 358 O ASN A 24 -5.460 16.158 2.936 1.00 0.00 O ATOM 359 CB ASN A 24 -5.912 13.428 4.732 1.00 0.00 C ATOM 360 CG ASN A 24 -7.076 12.479 5.017 1.00 0.00 C ATOM 361 OD1 ASN A 24 -7.746 11.976 4.121 1.00 0.00 O ATOM 362 ND2 ASN A 24 -7.359 12.242 6.296 1.00 0.00 N ATOM 0 H ASN A 24 -4.737 12.002 3.195 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.718 13.993 2.806 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.989 12.966 5.084 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.053 14.340 5.313 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.141 11.635 6.541 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.793 12.667 7.031 1.00 0.00 H new ATOM 369 N LYS A 25 -3.583 14.968 3.271 1.00 0.00 N ATOM 370 CA LYS A 25 -2.671 16.101 3.186 1.00 0.00 C ATOM 371 C LYS A 25 -2.802 16.767 1.816 1.00 0.00 C ATOM 372 O LYS A 25 -2.919 17.987 1.728 1.00 0.00 O ATOM 373 CB LYS A 25 -1.236 15.628 3.464 1.00 0.00 C ATOM 374 CG LYS A 25 -0.209 16.766 3.444 1.00 0.00 C ATOM 375 CD LYS A 25 1.183 16.195 3.736 1.00 0.00 C ATOM 376 CE LYS A 25 2.240 17.303 3.711 1.00 0.00 C ATOM 377 NZ LYS A 25 3.583 16.765 3.983 1.00 0.00 N ATOM 0 H LYS A 25 -3.115 14.079 3.445 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.926 16.846 3.939 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.205 15.136 4.436 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.956 14.882 2.720 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.216 17.261 2.473 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.469 17.520 4.187 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.184 15.707 4.711 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.431 15.433 2.997 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.233 17.794 2.738 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.992 18.062 4.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.278 17.538 3.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.594 16.318 4.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.827 16.058 3.260 1.00 0.00 H new ATOM 391 N ILE A 26 -2.782 15.967 0.747 1.00 0.00 N ATOM 392 CA ILE A 26 -3.020 16.472 -0.599 1.00 0.00 C ATOM 393 C ILE A 26 -4.488 16.909 -0.712 1.00 0.00 C ATOM 394 O ILE A 26 -4.791 17.946 -1.297 1.00 0.00 O ATOM 395 CB ILE A 26 -2.626 15.418 -1.653 1.00 0.00 C ATOM 396 CG1 ILE A 26 -1.153 14.990 -1.485 1.00 0.00 C ATOM 397 CG2 ILE A 26 -2.818 16.006 -3.061 1.00 0.00 C ATOM 398 CD1 ILE A 26 -0.804 13.750 -2.314 1.00 0.00 C ATOM 0 H ILE A 26 -2.602 14.964 0.793 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.393 17.342 -0.793 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.263 14.544 -1.517 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.503 15.814 -1.779 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.955 14.787 -0.433 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.540 15.262 -3.807 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.862 16.286 -3.199 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.188 16.888 -3.176 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.244 13.492 -2.159 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.433 12.916 -2.003 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.974 13.959 -3.370 1.00 0.00 H new ATOM 410 N GLY A 27 -5.401 16.112 -0.150 1.00 0.00 N ATOM 411 CA GLY A 27 -6.817 16.425 -0.042 1.00 0.00 C ATOM 412 C GLY A 27 -7.610 15.938 -1.250 1.00 0.00 C ATOM 413 O GLY A 27 -8.738 16.379 -1.461 1.00 0.00 O ATOM 0 H GLY A 27 -5.162 15.206 0.252 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.220 15.969 0.862 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.942 17.503 0.062 1.00 0.00 H new ATOM 417 N GLN A 28 -7.054 15.002 -2.031 1.00 0.00 N ATOM 418 CA GLN A 28 -7.687 14.511 -3.254 1.00 0.00 C ATOM 419 C GLN A 28 -9.095 13.981 -2.971 1.00 0.00 C ATOM 420 O GLN A 28 -10.016 14.220 -3.747 1.00 0.00 O ATOM 421 CB GLN A 28 -6.825 13.425 -3.911 1.00 0.00 C ATOM 422 CG GLN A 28 -5.475 13.975 -4.384 1.00 0.00 C ATOM 423 CD GLN A 28 -4.663 12.944 -5.166 1.00 0.00 C ATOM 424 OE1 GLN A 28 -4.993 11.764 -5.198 1.00 0.00 O ATOM 425 NE2 GLN A 28 -3.588 13.384 -5.813 1.00 0.00 N ATOM 0 H GLN A 28 -6.154 14.567 -1.830 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.775 15.349 -3.946 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.658 12.615 -3.201 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -7.361 13.000 -4.759 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.643 14.851 -5.010 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.899 14.307 -3.520 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.335 14.371 -5.770 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.016 12.734 -6.352 1.00 0.00 H new ATOM 434 N TYR A 29 -9.251 13.268 -1.852 1.00 0.00 N ATOM 435 CA TYR A 29 -10.533 12.760 -1.375 1.00 0.00 C ATOM 436 C TYR A 29 -10.940 13.490 -0.086 1.00 0.00 C ATOM 437 O TYR A 29 -11.587 12.922 0.793 1.00 0.00 O ATOM 438 CB TYR A 29 -10.435 11.238 -1.194 1.00 0.00 C ATOM 439 CG TYR A 29 -10.638 10.419 -2.460 1.00 0.00 C ATOM 440 CD1 TYR A 29 -9.730 10.519 -3.532 1.00 0.00 C ATOM 441 CD2 TYR A 29 -11.751 9.563 -2.576 1.00 0.00 C ATOM 442 CE1 TYR A 29 -9.929 9.772 -4.704 1.00 0.00 C ATOM 443 CE2 TYR A 29 -11.957 8.825 -3.755 1.00 0.00 C ATOM 444 CZ TYR A 29 -11.049 8.932 -4.820 1.00 0.00 C ATOM 445 OH TYR A 29 -11.279 8.255 -5.979 1.00 0.00 O ATOM 0 H TYR A 29 -8.471 13.025 -1.242 1.00 0.00 H new ATOM 0 HA TYR A 29 -11.318 12.954 -2.105 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -9.455 11.000 -0.780 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -11.176 10.928 -0.457 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.875 11.174 -3.452 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -12.449 9.473 -1.756 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.221 9.843 -5.516 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -12.815 8.175 -3.841 1.00 0.00 H new ATOM 0 HH TYR A 29 -12.095 7.719 -5.889 1.00 0.00 H new ATOM 455 N GLY A 30 -10.578 14.768 0.025 1.00 0.00 N ATOM 456 CA GLY A 30 -10.867 15.574 1.202 1.00 0.00 C ATOM 457 C GLY A 30 -10.286 14.931 2.463 1.00 0.00 C ATOM 458 O GLY A 30 -9.179 14.399 2.432 1.00 0.00 O ATOM 0 H GLY A 30 -10.074 15.272 -0.705 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.451 16.573 1.074 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.945 15.690 1.312 1.00 0.00 H new ATOM 462 N ARG A 31 -11.035 14.980 3.570 1.00 0.00 N ATOM 463 CA ARG A 31 -10.682 14.303 4.812 1.00 0.00 C ATOM 464 C ARG A 31 -11.335 12.922 4.848 1.00 0.00 C ATOM 465 O ARG A 31 -12.541 12.822 5.070 1.00 0.00 O ATOM 466 CB ARG A 31 -11.168 15.106 6.032 1.00 0.00 C ATOM 467 CG ARG A 31 -10.141 16.098 6.584 1.00 0.00 C ATOM 468 CD ARG A 31 -10.036 17.389 5.767 1.00 0.00 C ATOM 469 NE ARG A 31 -9.140 18.348 6.430 1.00 0.00 N ATOM 470 CZ ARG A 31 -9.427 19.029 7.552 1.00 0.00 C ATOM 471 NH1 ARG A 31 -10.637 18.942 8.113 1.00 0.00 N ATOM 472 NH2 ARG A 31 -8.487 19.795 8.116 1.00 0.00 N ATOM 0 H ARG A 31 -11.912 15.498 3.624 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.596 14.212 4.851 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -12.071 15.651 5.757 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -11.445 14.410 6.824 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.406 16.348 7.611 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.163 15.617 6.615 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.662 17.164 4.768 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.025 17.831 5.646 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.227 18.509 6.004 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.354 18.354 7.689 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.843 19.464 8.965 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.560 19.859 7.694 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.697 20.315 8.968 1.00 0.00 H new ATOM 486 N LEU A 32 -10.543 11.860 4.698 1.00 0.00 N ATOM 487 CA LEU A 32 -10.987 10.502 4.976 1.00 0.00 C ATOM 488 C LEU A 32 -10.606 10.150 6.414 1.00 0.00 C ATOM 489 O LEU A 32 -9.532 10.526 6.887 1.00 0.00 O ATOM 490 CB LEU A 32 -10.334 9.526 3.999 1.00 0.00 C ATOM 491 CG LEU A 32 -10.766 9.759 2.544 1.00 0.00 C ATOM 492 CD1 LEU A 32 -9.823 8.968 1.643 1.00 0.00 C ATOM 493 CD2 LEU A 32 -12.207 9.291 2.297 1.00 0.00 C ATOM 0 H LEU A 32 -9.576 11.921 4.380 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.068 10.432 4.855 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.250 9.619 4.070 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.586 8.506 4.289 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.723 10.827 2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.107 9.115 0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.800 9.315 1.793 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.887 7.908 1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.475 9.473 1.256 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.285 8.225 2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.885 9.842 2.948 1.00 0.00 H new ATOM 505 N THR A 33 -11.487 9.425 7.106 1.00 0.00 N ATOM 506 CA THR A 33 -11.305 9.020 8.493 1.00 0.00 C ATOM 507 C THR A 33 -10.841 7.566 8.512 1.00 0.00 C ATOM 508 O THR A 33 -11.663 6.657 8.425 1.00 0.00 O ATOM 509 CB THR A 33 -12.623 9.222 9.257 1.00 0.00 C ATOM 510 OG1 THR A 33 -13.023 10.572 9.135 1.00 0.00 O ATOM 511 CG2 THR A 33 -12.471 8.908 10.749 1.00 0.00 C ATOM 0 H THR A 33 -12.366 9.098 6.704 1.00 0.00 H new ATOM 0 HA THR A 33 -10.547 9.627 8.988 1.00 0.00 H new ATOM 0 HB THR A 33 -13.361 8.544 8.829 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.864 10.709 9.618 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.425 9.063 11.253 1.00 0.00 H new ATOM 0 HG22 THR A 33 -12.160 7.871 10.873 1.00 0.00 H new ATOM 0 HG23 THR A 33 -11.719 9.566 11.185 1.00 0.00 H new ATOM 519 N PHE A 34 -9.527 7.344 8.587 1.00 0.00 N ATOM 520 CA PHE A 34 -8.946 6.008 8.660 1.00 0.00 C ATOM 521 C PHE A 34 -9.596 5.176 9.763 1.00 0.00 C ATOM 522 O PHE A 34 -9.750 5.645 10.888 1.00 0.00 O ATOM 523 CB PHE A 34 -7.442 6.112 8.911 1.00 0.00 C ATOM 524 CG PHE A 34 -6.724 4.811 9.210 1.00 0.00 C ATOM 525 CD1 PHE A 34 -6.294 3.988 8.154 1.00 0.00 C ATOM 526 CD2 PHE A 34 -6.337 4.509 10.529 1.00 0.00 C ATOM 527 CE1 PHE A 34 -5.361 2.967 8.396 1.00 0.00 C ATOM 528 CE2 PHE A 34 -5.401 3.486 10.770 1.00 0.00 C ATOM 529 CZ PHE A 34 -4.861 2.763 9.693 1.00 0.00 C ATOM 0 H PHE A 34 -8.835 8.093 8.599 1.00 0.00 H new ATOM 0 HA PHE A 34 -9.128 5.509 7.708 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.979 6.566 8.035 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.280 6.793 9.746 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.681 4.141 7.157 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.758 5.062 11.356 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.027 2.338 7.584 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -5.098 3.257 11.781 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.065 2.053 9.862 1.00 0.00 H new ATOM 539 N ASN A 35 -9.937 3.934 9.423 1.00 0.00 N ATOM 540 CA ASN A 35 -10.370 2.921 10.376 1.00 0.00 C ATOM 541 C ASN A 35 -9.193 1.996 10.672 1.00 0.00 C ATOM 542 O ASN A 35 -8.696 1.971 11.795 1.00 0.00 O ATOM 543 CB ASN A 35 -11.563 2.121 9.835 1.00 0.00 C ATOM 544 CG ASN A 35 -12.811 2.974 9.649 1.00 0.00 C ATOM 545 OD1 ASN A 35 -13.201 3.280 8.526 1.00 0.00 O ATOM 546 ND2 ASN A 35 -13.471 3.349 10.741 1.00 0.00 N ATOM 0 H ASN A 35 -9.919 3.600 8.459 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.699 3.409 11.294 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.290 1.672 8.880 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.786 1.303 10.520 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -14.323 3.904 10.657 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -13.126 3.081 11.663 1.00 0.00 H new ATOM 553 N LYS A 36 -8.770 1.220 9.669 1.00 0.00 N ATOM 554 CA LYS A 36 -7.701 0.234 9.783 1.00 0.00 C ATOM 555 C LYS A 36 -7.338 -0.255 8.378 1.00 0.00 C ATOM 556 O LYS A 36 -7.657 0.415 7.399 1.00 0.00 O ATOM 557 CB LYS A 36 -8.104 -0.909 10.739 1.00 0.00 C ATOM 558 CG LYS A 36 -9.337 -1.696 10.266 1.00 0.00 C ATOM 559 CD LYS A 36 -9.615 -2.904 11.171 1.00 0.00 C ATOM 560 CE LYS A 36 -10.133 -2.488 12.555 1.00 0.00 C ATOM 561 NZ LYS A 36 -10.414 -3.664 13.397 1.00 0.00 N ATOM 0 H LYS A 36 -9.174 1.265 8.734 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.812 0.685 10.225 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.264 -1.595 10.847 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.305 -0.493 11.726 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.207 -1.040 10.256 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.182 -2.035 9.242 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.347 -3.553 10.692 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.701 -3.486 11.287 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.395 -1.854 13.046 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.040 -1.893 12.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.762 -3.351 14.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.136 -4.255 12.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.542 -4.217 13.523 1.00 0.00 H new ATOM 575 N VAL A 37 -6.704 -1.426 8.264 1.00 0.00 N ATOM 576 CA VAL A 37 -6.342 -2.052 7.001 1.00 0.00 C ATOM 577 C VAL A 37 -6.739 -3.521 7.094 1.00 0.00 C ATOM 578 O VAL A 37 -6.591 -4.104 8.168 1.00 0.00 O ATOM 579 CB VAL A 37 -4.830 -1.902 6.770 1.00 0.00 C ATOM 580 CG1 VAL A 37 -4.431 -2.433 5.394 1.00 0.00 C ATOM 581 CG2 VAL A 37 -4.389 -0.441 6.846 1.00 0.00 C ATOM 0 H VAL A 37 -6.423 -1.976 9.076 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.854 -1.582 6.161 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.342 -2.476 7.557 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.356 -2.315 5.256 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.692 -3.489 5.322 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.959 -1.875 4.621 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.314 -0.376 6.678 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.911 0.137 6.083 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.627 -0.040 7.831 1.00 0.00 H new ATOM 591 N ILE A 38 -7.248 -4.106 6.003 1.00 0.00 N ATOM 592 CA ILE A 38 -7.608 -5.520 5.953 1.00 0.00 C ATOM 593 C ILE A 38 -7.151 -6.154 4.634 1.00 0.00 C ATOM 594 O ILE A 38 -6.603 -5.481 3.762 1.00 0.00 O ATOM 595 CB ILE A 38 -9.100 -5.749 6.294 1.00 0.00 C ATOM 596 CG1 ILE A 38 -10.108 -5.078 5.347 1.00 0.00 C ATOM 597 CG2 ILE A 38 -9.407 -5.286 7.727 1.00 0.00 C ATOM 598 CD1 ILE A 38 -10.210 -5.777 3.989 1.00 0.00 C ATOM 0 H ILE A 38 -7.421 -3.607 5.130 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.065 -6.047 6.737 1.00 0.00 H new ATOM 0 HB ILE A 38 -9.232 -6.825 6.177 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -11.090 -5.068 5.819 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.818 -4.039 5.194 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -10.461 -5.456 7.946 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.795 -5.850 8.431 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.183 -4.223 7.822 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.937 -5.257 3.366 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -9.236 -5.764 3.499 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -10.529 -6.809 4.134 1.00 0.00 H new ATOM 610 N ARG A 39 -7.334 -7.473 4.533 1.00 0.00 N ATOM 611 CA ARG A 39 -6.810 -8.312 3.463 1.00 0.00 C ATOM 612 C ARG A 39 -7.387 -7.950 2.080 1.00 0.00 C ATOM 613 O ARG A 39 -8.520 -7.484 1.999 1.00 0.00 O ATOM 614 CB ARG A 39 -7.085 -9.784 3.817 1.00 0.00 C ATOM 615 CG ARG A 39 -8.585 -10.112 3.878 1.00 0.00 C ATOM 616 CD ARG A 39 -8.802 -11.563 4.320 1.00 0.00 C ATOM 617 NE ARG A 39 -10.231 -11.907 4.325 1.00 0.00 N ATOM 618 CZ ARG A 39 -11.114 -11.563 5.275 1.00 0.00 C ATOM 619 NH1 ARG A 39 -10.724 -10.860 6.344 1.00 0.00 N ATOM 620 NH2 ARG A 39 -12.393 -11.926 5.146 1.00 0.00 N ATOM 0 H ARG A 39 -7.871 -8.001 5.221 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.737 -8.140 3.384 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.607 -10.426 3.077 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.628 -10.013 4.780 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.083 -9.436 4.573 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.038 -9.953 2.899 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.266 -12.235 3.650 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.386 -11.709 5.317 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.582 -12.454 3.539 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.748 -10.581 6.442 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.403 -10.603 7.061 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.692 -12.460 4.330 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -13.071 -11.669 5.863 1.00 0.00 H new ATOM 634 N PRO A 40 -6.660 -8.221 0.981 1.00 0.00 N ATOM 635 CA PRO A 40 -5.290 -8.694 0.969 1.00 0.00 C ATOM 636 C PRO A 40 -4.357 -7.528 1.287 1.00 0.00 C ATOM 637 O PRO A 40 -4.719 -6.358 1.155 1.00 0.00 O ATOM 638 CB PRO A 40 -5.062 -9.229 -0.447 1.00 0.00 C ATOM 639 CG PRO A 40 -5.934 -8.311 -1.299 1.00 0.00 C ATOM 640 CD PRO A 40 -7.118 -7.994 -0.379 1.00 0.00 C ATOM 0 HA PRO A 40 -5.096 -9.469 1.711 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.013 -9.173 -0.736 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.363 -10.273 -0.539 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.400 -7.407 -1.592 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.258 -8.802 -2.217 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.445 -6.963 -0.510 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -7.971 -8.631 -0.612 1.00 0.00 H new ATOM 648 N CYS A 41 -3.151 -7.866 1.732 1.00 0.00 N ATOM 649 CA CYS A 41 -2.088 -6.922 1.997 1.00 0.00 C ATOM 650 C CYS A 41 -0.869 -7.554 1.350 1.00 0.00 C ATOM 651 O CYS A 41 -0.186 -8.357 1.982 1.00 0.00 O ATOM 652 CB CYS A 41 -1.921 -6.733 3.508 1.00 0.00 C ATOM 653 SG CYS A 41 -3.433 -6.062 4.243 1.00 0.00 S ATOM 0 H CYS A 41 -2.886 -8.833 1.921 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.275 -5.924 1.599 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -1.678 -7.688 3.974 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -1.086 -6.060 3.705 1.00 0.00 H new ATOM 0 HG CYS A 41 -3.136 -5.038 4.986 1.00 0.00 H new ATOM 659 N MET A 42 -0.669 -7.282 0.059 1.00 0.00 N ATOM 660 CA MET A 42 0.281 -7.993 -0.782 1.00 0.00 C ATOM 661 C MET A 42 1.401 -7.047 -1.192 1.00 0.00 C ATOM 662 O MET A 42 1.130 -5.885 -1.491 1.00 0.00 O ATOM 663 CB MET A 42 -0.452 -8.571 -2.006 1.00 0.00 C ATOM 664 CG MET A 42 -0.195 -10.074 -2.148 1.00 0.00 C ATOM 665 SD MET A 42 -0.958 -10.837 -3.602 1.00 0.00 S ATOM 666 CE MET A 42 -0.541 -12.570 -3.306 1.00 0.00 C ATOM 0 H MET A 42 -1.175 -6.547 -0.435 1.00 0.00 H new ATOM 0 HA MET A 42 0.726 -8.823 -0.233 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.523 -8.390 -1.911 1.00 0.00 H new ATOM 0 HB3 MET A 42 -0.121 -8.056 -2.908 1.00 0.00 H new ATOM 0 HG2 MET A 42 0.881 -10.243 -2.188 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.563 -10.578 -1.254 1.00 0.00 H new ATOM 0 HE1 MET A 42 -0.939 -13.183 -4.114 1.00 0.00 H new ATOM 0 HE2 MET A 42 0.543 -12.682 -3.265 1.00 0.00 H new ATOM 0 HE3 MET A 42 -0.975 -12.892 -2.359 1.00 0.00 H new ATOM 676 N LYS A 43 2.646 -7.533 -1.214 1.00 0.00 N ATOM 677 CA LYS A 43 3.782 -6.737 -1.661 1.00 0.00 C ATOM 678 C LYS A 43 4.501 -7.408 -2.825 1.00 0.00 C ATOM 679 O LYS A 43 4.337 -8.608 -3.029 1.00 0.00 O ATOM 680 CB LYS A 43 4.716 -6.427 -0.483 1.00 0.00 C ATOM 681 CG LYS A 43 5.677 -7.568 -0.133 1.00 0.00 C ATOM 682 CD LYS A 43 6.615 -7.129 0.997 1.00 0.00 C ATOM 683 CE LYS A 43 7.678 -8.197 1.268 1.00 0.00 C ATOM 684 NZ LYS A 43 8.654 -7.732 2.270 1.00 0.00 N ATOM 0 H LYS A 43 2.888 -8.481 -0.924 1.00 0.00 H new ATOM 0 HA LYS A 43 3.416 -5.782 -2.039 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.297 -5.535 -0.718 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.113 -6.192 0.394 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.113 -8.450 0.172 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.258 -7.849 -1.012 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.098 -6.189 0.730 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.038 -6.945 1.904 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.199 -9.111 1.619 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.194 -8.444 0.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.363 -8.475 2.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.127 -6.873 1.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.162 -7.519 3.161 1.00 0.00 H new ATOM 698 N LYS A 44 5.306 -6.623 -3.548 1.00 0.00 N ATOM 699 CA LYS A 44 6.163 -7.057 -4.640 1.00 0.00 C ATOM 700 C LYS A 44 7.513 -6.337 -4.515 1.00 0.00 C ATOM 701 O LYS A 44 7.561 -5.188 -4.075 1.00 0.00 O ATOM 702 CB LYS A 44 5.480 -6.712 -5.973 1.00 0.00 C ATOM 703 CG LYS A 44 6.297 -7.123 -7.206 1.00 0.00 C ATOM 704 CD LYS A 44 5.600 -6.684 -8.496 1.00 0.00 C ATOM 705 CE LYS A 44 6.471 -7.030 -9.707 1.00 0.00 C ATOM 706 NZ LYS A 44 5.845 -6.582 -10.963 1.00 0.00 N ATOM 0 H LYS A 44 5.376 -5.620 -3.374 1.00 0.00 H new ATOM 0 HA LYS A 44 6.330 -8.133 -4.602 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.508 -7.203 -6.011 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.296 -5.638 -6.010 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.290 -6.676 -7.154 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.434 -8.204 -7.212 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.632 -7.177 -8.582 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.410 -5.611 -8.469 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.450 -6.562 -9.599 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.635 -8.107 -9.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.459 -6.831 -11.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.922 -7.048 -11.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.712 -5.551 -10.936 1.00 0.00 H new ATOM 720 N THR A 45 8.607 -6.991 -4.921 1.00 0.00 N ATOM 721 CA THR A 45 9.935 -6.390 -5.018 1.00 0.00 C ATOM 722 C THR A 45 10.082 -5.650 -6.353 1.00 0.00 C ATOM 723 O THR A 45 9.786 -6.225 -7.400 1.00 0.00 O ATOM 724 CB THR A 45 10.990 -7.499 -4.895 1.00 0.00 C ATOM 725 OG1 THR A 45 10.692 -8.310 -3.776 1.00 0.00 O ATOM 726 CG2 THR A 45 12.402 -6.926 -4.743 1.00 0.00 C ATOM 0 H THR A 45 8.590 -7.973 -5.196 1.00 0.00 H new ATOM 0 HA THR A 45 10.075 -5.667 -4.214 1.00 0.00 H new ATOM 0 HB THR A 45 10.963 -8.089 -5.811 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.364 -9.019 -3.698 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.119 -7.743 -4.659 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.644 -6.319 -5.615 1.00 0.00 H new ATOM 0 HG23 THR A 45 12.449 -6.308 -3.846 1.00 0.00 H new ATOM 734 N ILE A 46 10.546 -4.395 -6.328 1.00 0.00 N ATOM 735 CA ILE A 46 10.738 -3.557 -7.508 1.00 0.00 C ATOM 736 C ILE A 46 12.246 -3.404 -7.769 1.00 0.00 C ATOM 737 O ILE A 46 13.008 -2.937 -6.917 1.00 0.00 O ATOM 738 CB ILE A 46 9.959 -2.235 -7.339 1.00 0.00 C ATOM 739 CG1 ILE A 46 8.579 -2.274 -8.024 1.00 0.00 C ATOM 740 CG2 ILE A 46 10.702 -1.007 -7.875 1.00 0.00 C ATOM 741 CD1 ILE A 46 7.672 -3.410 -7.540 1.00 0.00 C ATOM 0 H ILE A 46 10.804 -3.925 -5.460 1.00 0.00 H new ATOM 0 HA ILE A 46 10.325 -4.016 -8.406 1.00 0.00 H new ATOM 0 HB ILE A 46 9.847 -2.139 -6.259 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.074 -1.323 -7.854 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.722 -2.371 -9.100 1.00 0.00 H new ATOM 0 HG21 ILE A 46 10.092 -0.117 -7.721 1.00 0.00 H new ATOM 0 HG22 ILE A 46 11.648 -0.895 -7.346 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.895 -1.135 -8.940 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.721 -3.367 -8.071 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.154 -4.368 -7.735 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.495 -3.304 -6.470 1.00 0.00 H new ATOM 753 N TYR A 47 12.700 -3.826 -8.952 1.00 0.00 N ATOM 754 CA TYR A 47 14.117 -3.863 -9.279 1.00 0.00 C ATOM 755 C TYR A 47 14.354 -3.531 -10.744 1.00 0.00 C ATOM 756 O TYR A 47 13.418 -3.562 -11.542 1.00 0.00 O ATOM 757 CB TYR A 47 14.707 -5.217 -8.875 1.00 0.00 C ATOM 758 CG TYR A 47 14.355 -6.420 -9.720 1.00 0.00 C ATOM 759 CD1 TYR A 47 13.119 -7.066 -9.541 1.00 0.00 C ATOM 760 CD2 TYR A 47 15.365 -7.041 -10.478 1.00 0.00 C ATOM 761 CE1 TYR A 47 12.888 -8.313 -10.146 1.00 0.00 C ATOM 762 CE2 TYR A 47 15.132 -8.284 -11.086 1.00 0.00 C ATOM 763 CZ TYR A 47 13.887 -8.916 -10.927 1.00 0.00 C ATOM 764 OH TYR A 47 13.662 -10.136 -11.491 1.00 0.00 O ATOM 0 H TYR A 47 12.093 -4.150 -9.705 1.00 0.00 H new ATOM 0 HA TYR A 47 14.637 -3.093 -8.709 1.00 0.00 H new ATOM 0 HB2 TYR A 47 15.793 -5.120 -8.866 1.00 0.00 H new ATOM 0 HB3 TYR A 47 14.397 -5.425 -7.851 1.00 0.00 H new ATOM 0 HD1 TYR A 47 12.349 -6.605 -8.940 1.00 0.00 H new ATOM 0 HD2 TYR A 47 16.324 -6.558 -10.592 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.939 -8.809 -10.010 1.00 0.00 H new ATOM 0 HE2 TYR A 47 15.907 -8.753 -11.674 1.00 0.00 H new ATOM 0 HH TYR A 47 14.453 -10.412 -12.000 1.00 0.00 H new ATOM 774 N GLU A 48 15.600 -3.177 -11.066 1.00 0.00 N ATOM 775 CA GLU A 48 16.005 -2.777 -12.400 1.00 0.00 C ATOM 776 C GLU A 48 16.646 -3.979 -13.098 1.00 0.00 C ATOM 777 O GLU A 48 16.555 -5.110 -12.628 1.00 0.00 O ATOM 778 CB GLU A 48 16.949 -1.560 -12.294 1.00 0.00 C ATOM 779 CG GLU A 48 16.664 -0.484 -13.355 1.00 0.00 C ATOM 780 CD GLU A 48 15.293 0.167 -13.165 1.00 0.00 C ATOM 781 OE1 GLU A 48 15.084 0.754 -12.081 1.00 0.00 O ATOM 782 OE2 GLU A 48 14.479 0.057 -14.106 1.00 0.00 O ATOM 0 H GLU A 48 16.363 -3.163 -10.390 1.00 0.00 H new ATOM 0 HA GLU A 48 15.152 -2.467 -13.004 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.854 -1.118 -11.302 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.981 -1.897 -12.395 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.438 0.283 -13.309 1.00 0.00 H new ATOM 0 HG3 GLU A 48 16.717 -0.932 -14.347 1.00 0.00 H new ATOM 789 N ASN A 49 17.318 -3.724 -14.217 1.00 0.00 N ATOM 790 CA ASN A 49 17.976 -4.754 -15.013 1.00 0.00 C ATOM 791 C ASN A 49 19.067 -4.170 -15.902 1.00 0.00 C ATOM 792 O ASN A 49 20.192 -4.662 -15.912 1.00 0.00 O ATOM 793 CB ASN A 49 16.961 -5.542 -15.847 1.00 0.00 C ATOM 794 CG ASN A 49 17.666 -6.674 -16.590 1.00 0.00 C ATOM 795 OD1 ASN A 49 18.023 -7.682 -15.993 1.00 0.00 O ATOM 796 ND2 ASN A 49 17.888 -6.518 -17.892 1.00 0.00 N ATOM 0 H ASN A 49 17.422 -2.785 -14.601 1.00 0.00 H new ATOM 0 HA ASN A 49 18.452 -5.443 -14.316 1.00 0.00 H new ATOM 0 HB2 ASN A 49 16.183 -5.949 -15.200 1.00 0.00 H new ATOM 0 HB3 ASN A 49 16.469 -4.879 -16.559 1.00 0.00 H new ATOM 0 HD21 ASN A 49 18.367 -7.249 -18.419 1.00 0.00 H new ATOM 0 HD22 ASN A 49 17.580 -5.668 -18.364 1.00 0.00 H new ATOM 803 N GLU A 50 18.716 -3.130 -16.664 1.00 0.00 N ATOM 804 CA GLU A 50 19.620 -2.460 -17.586 1.00 0.00 C ATOM 805 C GLU A 50 20.888 -2.000 -16.856 1.00 0.00 C ATOM 806 O GLU A 50 20.854 -1.008 -16.133 1.00 0.00 O ATOM 807 CB GLU A 50 18.883 -1.280 -18.238 1.00 0.00 C ATOM 808 CG GLU A 50 19.726 -0.600 -19.326 1.00 0.00 C ATOM 809 CD GLU A 50 18.964 0.558 -19.964 1.00 0.00 C ATOM 810 OE1 GLU A 50 18.142 0.269 -20.859 1.00 0.00 O ATOM 811 OE2 GLU A 50 19.210 1.707 -19.535 1.00 0.00 O ATOM 0 H GLU A 50 17.779 -2.728 -16.653 1.00 0.00 H new ATOM 0 HA GLU A 50 19.933 -3.152 -18.367 1.00 0.00 H new ATOM 0 HB2 GLU A 50 17.948 -1.633 -18.673 1.00 0.00 H new ATOM 0 HB3 GLU A 50 18.622 -0.549 -17.473 1.00 0.00 H new ATOM 0 HG2 GLU A 50 20.657 -0.233 -18.894 1.00 0.00 H new ATOM 0 HG3 GLU A 50 19.995 -1.328 -20.091 1.00 0.00 H new ATOM 818 N GLY A 51 22.001 -2.704 -17.072 1.00 0.00 N ATOM 819 CA GLY A 51 23.297 -2.327 -16.535 1.00 0.00 C ATOM 820 C GLY A 51 23.381 -2.602 -15.037 1.00 0.00 C ATOM 821 O GLY A 51 23.305 -1.681 -14.229 1.00 0.00 O ATOM 0 H GLY A 51 22.022 -3.558 -17.630 1.00 0.00 H new ATOM 0 HA2 GLY A 51 24.081 -2.880 -17.052 1.00 0.00 H new ATOM 0 HA3 GLY A 51 23.476 -1.268 -16.723 1.00 0.00 H new ATOM 825 N PHE A 52 23.599 -3.874 -14.689 1.00 0.00 N ATOM 826 CA PHE A 52 23.802 -4.354 -13.325 1.00 0.00 C ATOM 827 C PHE A 52 22.475 -4.359 -12.562 1.00 0.00 C ATOM 828 O PHE A 52 22.143 -3.411 -11.853 1.00 0.00 O ATOM 829 CB PHE A 52 24.906 -3.560 -12.607 1.00 0.00 C ATOM 830 CG PHE A 52 25.458 -4.243 -11.371 1.00 0.00 C ATOM 831 CD1 PHE A 52 26.518 -5.163 -11.486 1.00 0.00 C ATOM 832 CD2 PHE A 52 24.939 -3.931 -10.100 1.00 0.00 C ATOM 833 CE1 PHE A 52 27.069 -5.751 -10.336 1.00 0.00 C ATOM 834 CE2 PHE A 52 25.494 -4.518 -8.950 1.00 0.00 C ATOM 835 CZ PHE A 52 26.561 -5.424 -9.066 1.00 0.00 C ATOM 0 H PHE A 52 23.640 -4.624 -15.379 1.00 0.00 H new ATOM 0 HA PHE A 52 24.155 -5.385 -13.363 1.00 0.00 H new ATOM 0 HB2 PHE A 52 25.723 -3.382 -13.306 1.00 0.00 H new ATOM 0 HB3 PHE A 52 24.511 -2.584 -12.324 1.00 0.00 H new ATOM 0 HD1 PHE A 52 26.908 -5.417 -12.461 1.00 0.00 H new ATOM 0 HD2 PHE A 52 24.114 -3.240 -10.009 1.00 0.00 H new ATOM 0 HE1 PHE A 52 27.883 -6.455 -10.427 1.00 0.00 H new ATOM 0 HE2 PHE A 52 25.099 -4.272 -7.975 1.00 0.00 H new ATOM 0 HZ PHE A 52 26.991 -5.869 -8.181 1.00 0.00 H new ATOM 845 N ARG A 53 21.702 -5.438 -12.723 1.00 0.00 N ATOM 846 CA ARG A 53 20.410 -5.580 -12.067 1.00 0.00 C ATOM 847 C ARG A 53 20.573 -5.487 -10.548 1.00 0.00 C ATOM 848 O ARG A 53 21.489 -6.083 -9.985 1.00 0.00 O ATOM 849 CB ARG A 53 19.720 -6.874 -12.534 1.00 0.00 C ATOM 850 CG ARG A 53 20.238 -8.188 -11.930 1.00 0.00 C ATOM 851 CD ARG A 53 19.439 -8.614 -10.692 1.00 0.00 C ATOM 852 NE ARG A 53 19.710 -10.017 -10.355 1.00 0.00 N ATOM 853 CZ ARG A 53 18.919 -10.795 -9.603 1.00 0.00 C ATOM 854 NH1 ARG A 53 17.829 -10.290 -9.011 1.00 0.00 N ATOM 855 NH2 ARG A 53 19.224 -12.086 -9.449 1.00 0.00 N ATOM 0 H ARG A 53 21.958 -6.231 -13.311 1.00 0.00 H new ATOM 0 HA ARG A 53 19.753 -4.759 -12.354 1.00 0.00 H new ATOM 0 HB2 ARG A 53 18.656 -6.792 -12.310 1.00 0.00 H new ATOM 0 HB3 ARG A 53 19.814 -6.937 -13.618 1.00 0.00 H new ATOM 0 HG2 ARG A 53 20.187 -8.976 -12.682 1.00 0.00 H new ATOM 0 HG3 ARG A 53 21.288 -8.072 -11.660 1.00 0.00 H new ATOM 0 HD2 ARG A 53 19.700 -7.976 -9.848 1.00 0.00 H new ATOM 0 HD3 ARG A 53 18.373 -8.479 -10.877 1.00 0.00 H new ATOM 0 HE ARG A 53 20.567 -10.432 -10.722 1.00 0.00 H new ATOM 0 HH11 ARG A 53 17.594 -9.305 -9.130 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.234 -10.891 -8.441 1.00 0.00 H new ATOM 0 HH21 ARG A 53 20.053 -12.472 -9.902 1.00 0.00 H new ATOM 0 HH22 ARG A 53 18.628 -12.686 -8.879 1.00 0.00 H new ATOM 869 N GLU A 54 19.695 -4.731 -9.882 1.00 0.00 N ATOM 870 CA GLU A 54 19.724 -4.530 -8.449 1.00 0.00 C ATOM 871 C GLU A 54 18.332 -4.085 -8.005 1.00 0.00 C ATOM 872 O GLU A 54 17.585 -3.496 -8.794 1.00 0.00 O ATOM 873 CB GLU A 54 20.820 -3.516 -8.079 1.00 0.00 C ATOM 874 CG GLU A 54 21.088 -3.455 -6.567 1.00 0.00 C ATOM 875 CD GLU A 54 22.256 -2.532 -6.223 1.00 0.00 C ATOM 876 OE1 GLU A 54 23.305 -2.660 -6.892 1.00 0.00 O ATOM 877 OE2 GLU A 54 22.085 -1.722 -5.286 1.00 0.00 O ATOM 0 H GLU A 54 18.932 -4.236 -10.343 1.00 0.00 H new ATOM 0 HA GLU A 54 19.973 -5.454 -7.927 1.00 0.00 H new ATOM 0 HB2 GLU A 54 21.742 -3.780 -8.597 1.00 0.00 H new ATOM 0 HB3 GLU A 54 20.528 -2.527 -8.432 1.00 0.00 H new ATOM 0 HG2 GLU A 54 20.191 -3.108 -6.055 1.00 0.00 H new ATOM 0 HG3 GLU A 54 21.299 -4.458 -6.197 1.00 0.00 H new ATOM 884 N ILE A 55 17.987 -4.411 -6.755 1.00 0.00 N ATOM 885 CA ILE A 55 16.731 -4.035 -6.124 1.00 0.00 C ATOM 886 C ILE A 55 16.781 -2.541 -5.840 1.00 0.00 C ATOM 887 O ILE A 55 17.708 -2.080 -5.177 1.00 0.00 O ATOM 888 CB ILE A 55 16.487 -4.868 -4.849 1.00 0.00 C ATOM 889 CG1 ILE A 55 16.395 -6.363 -5.213 1.00 0.00 C ATOM 890 CG2 ILE A 55 15.198 -4.400 -4.152 1.00 0.00 C ATOM 891 CD1 ILE A 55 16.320 -7.279 -3.986 1.00 0.00 C ATOM 0 H ILE A 55 18.594 -4.958 -6.144 1.00 0.00 H new ATOM 0 HA ILE A 55 15.890 -4.244 -6.785 1.00 0.00 H new ATOM 0 HB ILE A 55 17.321 -4.726 -4.161 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.514 -6.526 -5.834 1.00 0.00 H new ATOM 0 HG13 ILE A 55 17.263 -6.639 -5.812 1.00 0.00 H new ATOM 0 HG21 ILE A 55 15.034 -4.994 -3.253 1.00 0.00 H new ATOM 0 HG22 ILE A 55 15.293 -3.349 -3.880 1.00 0.00 H new ATOM 0 HG23 ILE A 55 14.353 -4.525 -4.828 1.00 0.00 H new ATOM 0 HD11 ILE A 55 16.257 -8.318 -4.311 1.00 0.00 H new ATOM 0 HD12 ILE A 55 17.213 -7.143 -3.375 1.00 0.00 H new ATOM 0 HD13 ILE A 55 15.437 -7.028 -3.398 1.00 0.00 H new ATOM 903 N LYS A 56 15.795 -1.795 -6.348 1.00 0.00 N ATOM 904 CA LYS A 56 15.731 -0.352 -6.167 1.00 0.00 C ATOM 905 C LYS A 56 14.568 0.036 -5.257 1.00 0.00 C ATOM 906 O LYS A 56 14.606 1.105 -4.652 1.00 0.00 O ATOM 907 CB LYS A 56 15.780 0.365 -7.525 1.00 0.00 C ATOM 908 CG LYS A 56 14.520 0.293 -8.401 1.00 0.00 C ATOM 909 CD LYS A 56 13.534 1.432 -8.087 1.00 0.00 C ATOM 910 CE LYS A 56 12.567 1.683 -9.251 1.00 0.00 C ATOM 911 NZ LYS A 56 13.238 2.293 -10.414 1.00 0.00 N ATOM 0 H LYS A 56 15.024 -2.179 -6.894 1.00 0.00 H new ATOM 0 HA LYS A 56 16.616 -0.003 -5.635 1.00 0.00 H new ATOM 0 HB2 LYS A 56 16.007 1.416 -7.345 1.00 0.00 H new ATOM 0 HB3 LYS A 56 16.612 -0.047 -8.095 1.00 0.00 H new ATOM 0 HG2 LYS A 56 14.806 0.340 -9.452 1.00 0.00 H new ATOM 0 HG3 LYS A 56 14.026 -0.667 -8.248 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.967 1.185 -7.190 1.00 0.00 H new ATOM 0 HD3 LYS A 56 14.089 2.345 -7.872 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.111 0.740 -9.551 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.760 2.335 -8.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.523 2.660 -11.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 13.846 3.074 -10.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 13.819 1.577 -10.895 1.00 0.00 H new ATOM 925 N GLY A 57 13.559 -0.827 -5.097 1.00 0.00 N ATOM 926 CA GLY A 57 12.470 -0.554 -4.182 1.00 0.00 C ATOM 927 C GLY A 57 11.566 -1.761 -3.972 1.00 0.00 C ATOM 928 O GLY A 57 11.882 -2.882 -4.370 1.00 0.00 O ATOM 0 H GLY A 57 13.483 -1.715 -5.592 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.878 -0.238 -3.222 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.878 0.277 -4.565 1.00 0.00 H new ATOM 932 N TYR A 58 10.422 -1.521 -3.338 1.00 0.00 N ATOM 933 CA TYR A 58 9.373 -2.492 -3.099 1.00 0.00 C ATOM 934 C TYR A 58 8.050 -1.754 -3.246 1.00 0.00 C ATOM 935 O TYR A 58 8.019 -0.529 -3.103 1.00 0.00 O ATOM 936 CB TYR A 58 9.496 -3.078 -1.688 1.00 0.00 C ATOM 937 CG TYR A 58 10.913 -3.380 -1.236 1.00 0.00 C ATOM 938 CD1 TYR A 58 11.491 -4.637 -1.490 1.00 0.00 C ATOM 939 CD2 TYR A 58 11.698 -2.352 -0.684 1.00 0.00 C ATOM 940 CE1 TYR A 58 12.852 -4.857 -1.210 1.00 0.00 C ATOM 941 CE2 TYR A 58 13.061 -2.564 -0.422 1.00 0.00 C ATOM 942 CZ TYR A 58 13.642 -3.812 -0.699 1.00 0.00 C ATOM 943 OH TYR A 58 14.970 -4.001 -0.464 1.00 0.00 O ATOM 0 H TYR A 58 10.196 -0.600 -2.962 1.00 0.00 H new ATOM 0 HA TYR A 58 9.443 -3.320 -3.805 1.00 0.00 H new ATOM 0 HB2 TYR A 58 9.047 -2.380 -0.981 1.00 0.00 H new ATOM 0 HB3 TYR A 58 8.913 -3.998 -1.642 1.00 0.00 H new ATOM 0 HD1 TYR A 58 10.889 -5.434 -1.901 1.00 0.00 H new ATOM 0 HD2 TYR A 58 11.250 -1.395 -0.461 1.00 0.00 H new ATOM 0 HE1 TYR A 58 13.290 -5.828 -1.387 1.00 0.00 H new ATOM 0 HE2 TYR A 58 13.662 -1.768 -0.008 1.00 0.00 H new ATOM 0 HH TYR A 58 15.387 -3.144 -0.237 1.00 0.00 H new ATOM 953 N GLU A 59 6.975 -2.488 -3.520 1.00 0.00 N ATOM 954 CA GLU A 59 5.631 -1.961 -3.711 1.00 0.00 C ATOM 955 C GLU A 59 4.668 -2.776 -2.850 1.00 0.00 C ATOM 956 O GLU A 59 4.899 -3.970 -2.670 1.00 0.00 O ATOM 957 CB GLU A 59 5.283 -2.006 -5.204 1.00 0.00 C ATOM 958 CG GLU A 59 3.960 -1.293 -5.495 1.00 0.00 C ATOM 959 CD GLU A 59 3.707 -1.164 -6.992 1.00 0.00 C ATOM 960 OE1 GLU A 59 4.407 -0.335 -7.614 1.00 0.00 O ATOM 961 OE2 GLU A 59 2.829 -1.903 -7.490 1.00 0.00 O ATOM 0 H GLU A 59 7.020 -3.502 -3.618 1.00 0.00 H new ATOM 0 HA GLU A 59 5.557 -0.920 -3.397 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.083 -1.539 -5.779 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.218 -3.043 -5.532 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.140 -1.844 -5.034 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.973 -0.302 -5.041 1.00 0.00 H new ATOM 968 N TYR A 60 3.628 -2.137 -2.303 1.00 0.00 N ATOM 969 CA TYR A 60 2.687 -2.715 -1.358 1.00 0.00 C ATOM 970 C TYR A 60 1.287 -2.275 -1.764 1.00 0.00 C ATOM 971 O TYR A 60 1.017 -1.076 -1.768 1.00 0.00 O ATOM 972 CB TYR A 60 2.973 -2.198 0.056 1.00 0.00 C ATOM 973 CG TYR A 60 4.316 -2.583 0.644 1.00 0.00 C ATOM 974 CD1 TYR A 60 5.469 -1.837 0.333 1.00 0.00 C ATOM 975 CD2 TYR A 60 4.391 -3.622 1.590 1.00 0.00 C ATOM 976 CE1 TYR A 60 6.698 -2.155 0.937 1.00 0.00 C ATOM 977 CE2 TYR A 60 5.617 -3.928 2.205 1.00 0.00 C ATOM 978 CZ TYR A 60 6.773 -3.208 1.863 1.00 0.00 C ATOM 979 OH TYR A 60 7.962 -3.530 2.448 1.00 0.00 O ATOM 0 H TYR A 60 3.417 -1.163 -2.521 1.00 0.00 H new ATOM 0 HA TYR A 60 2.778 -3.801 -1.364 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.901 -1.110 0.045 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.190 -2.563 0.720 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.409 -1.020 -0.370 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.505 -4.185 1.844 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.584 -1.590 0.689 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.670 -4.717 2.941 1.00 0.00 H new ATOM 0 HH TYR A 60 7.831 -4.282 3.063 1.00 0.00 H new ATOM 989 N GLN A 61 0.407 -3.225 -2.081 1.00 0.00 N ATOM 990 CA GLN A 61 -1.005 -2.999 -2.327 1.00 0.00 C ATOM 991 C GLN A 61 -1.792 -3.559 -1.147 1.00 0.00 C ATOM 992 O GLN A 61 -1.620 -4.725 -0.786 1.00 0.00 O ATOM 993 CB GLN A 61 -1.421 -3.671 -3.639 1.00 0.00 C ATOM 994 CG GLN A 61 -0.976 -2.809 -4.825 1.00 0.00 C ATOM 995 CD GLN A 61 -1.424 -3.356 -6.176 1.00 0.00 C ATOM 996 OE1 GLN A 61 -2.168 -4.329 -6.259 1.00 0.00 O ATOM 997 NE2 GLN A 61 -0.990 -2.717 -7.259 1.00 0.00 N ATOM 0 H GLN A 61 0.674 -4.205 -2.175 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.211 -1.933 -2.423 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.973 -4.662 -3.709 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.502 -3.808 -3.662 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.372 -1.801 -4.700 1.00 0.00 H new ATOM 0 HG3 GLN A 61 0.111 -2.727 -4.817 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.372 -1.911 -7.162 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.275 -3.033 -8.186 1.00 0.00 H new ATOM 1006 N LEU A 62 -2.645 -2.730 -0.539 1.00 0.00 N ATOM 1007 CA LEU A 62 -3.435 -3.132 0.613 1.00 0.00 C ATOM 1008 C LEU A 62 -4.796 -2.443 0.587 1.00 0.00 C ATOM 1009 O LEU A 62 -4.912 -1.326 0.081 1.00 0.00 O ATOM 1010 CB LEU A 62 -2.644 -2.919 1.919 1.00 0.00 C ATOM 1011 CG LEU A 62 -1.898 -1.577 2.078 1.00 0.00 C ATOM 1012 CD1 LEU A 62 -2.805 -0.429 2.537 1.00 0.00 C ATOM 1013 CD2 LEU A 62 -0.781 -1.743 3.116 1.00 0.00 C ATOM 0 H LEU A 62 -2.802 -1.767 -0.835 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.638 -4.202 0.567 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.336 -3.022 2.755 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.915 -3.724 2.008 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.507 -1.319 1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.217 0.485 2.629 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.599 -0.278 1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.244 -0.676 3.503 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.250 -0.798 3.233 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.214 -2.037 4.072 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.085 -2.512 2.781 1.00 0.00 H new ATOM 1025 N TYR A 63 -5.827 -3.121 1.106 1.00 0.00 N ATOM 1026 CA TYR A 63 -7.149 -2.546 1.246 1.00 0.00 C ATOM 1027 C TYR A 63 -7.210 -1.815 2.587 1.00 0.00 C ATOM 1028 O TYR A 63 -7.392 -2.428 3.641 1.00 0.00 O ATOM 1029 CB TYR A 63 -8.232 -3.632 1.124 1.00 0.00 C ATOM 1030 CG TYR A 63 -8.849 -3.852 -0.252 1.00 0.00 C ATOM 1031 CD1 TYR A 63 -9.193 -2.766 -1.081 1.00 0.00 C ATOM 1032 CD2 TYR A 63 -9.293 -5.137 -0.613 1.00 0.00 C ATOM 1033 CE1 TYR A 63 -9.761 -2.984 -2.346 1.00 0.00 C ATOM 1034 CE2 TYR A 63 -9.841 -5.368 -1.887 1.00 0.00 C ATOM 1035 CZ TYR A 63 -10.046 -4.294 -2.767 1.00 0.00 C ATOM 1036 OH TYR A 63 -10.571 -4.521 -4.003 1.00 0.00 O ATOM 0 H TYR A 63 -5.757 -4.083 1.438 1.00 0.00 H new ATOM 0 HA TYR A 63 -7.342 -1.833 0.445 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.801 -4.577 1.455 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -9.035 -3.387 1.819 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -9.018 -1.756 -0.740 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -9.212 -5.951 0.092 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -9.978 -2.148 -2.994 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -10.104 -6.371 -2.188 1.00 0.00 H new ATOM 0 HH TYR A 63 -10.705 -5.484 -4.130 1.00 0.00 H new ATOM 1046 N VAL A 64 -7.044 -0.492 2.536 1.00 0.00 N ATOM 1047 CA VAL A 64 -7.212 0.378 3.684 1.00 0.00 C ATOM 1048 C VAL A 64 -8.701 0.694 3.838 1.00 0.00 C ATOM 1049 O VAL A 64 -9.391 0.977 2.859 1.00 0.00 O ATOM 1050 CB VAL A 64 -6.295 1.610 3.585 1.00 0.00 C ATOM 1051 CG1 VAL A 64 -6.463 2.424 2.300 1.00 0.00 C ATOM 1052 CG2 VAL A 64 -6.491 2.536 4.790 1.00 0.00 C ATOM 0 H VAL A 64 -6.786 0.004 1.683 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.894 -0.117 4.602 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.284 1.203 3.572 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -5.779 3.272 2.315 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -6.241 1.794 1.439 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -7.489 2.786 2.230 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.832 3.399 4.697 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.527 2.873 4.825 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.254 1.996 5.706 1.00 0.00 H new ATOM 1062 N TYR A 65 -9.199 0.597 5.071 1.00 0.00 N ATOM 1063 CA TYR A 65 -10.583 0.854 5.420 1.00 0.00 C ATOM 1064 C TYR A 65 -10.637 2.239 6.058 1.00 0.00 C ATOM 1065 O TYR A 65 -9.918 2.503 7.024 1.00 0.00 O ATOM 1066 CB TYR A 65 -11.082 -0.259 6.355 1.00 0.00 C ATOM 1067 CG TYR A 65 -12.591 -0.384 6.483 1.00 0.00 C ATOM 1068 CD1 TYR A 65 -13.366 -0.624 5.331 1.00 0.00 C ATOM 1069 CD2 TYR A 65 -13.191 -0.499 7.751 1.00 0.00 C ATOM 1070 CE1 TYR A 65 -14.715 -0.990 5.442 1.00 0.00 C ATOM 1071 CE2 TYR A 65 -14.552 -0.839 7.861 1.00 0.00 C ATOM 1072 CZ TYR A 65 -15.304 -1.118 6.706 1.00 0.00 C ATOM 1073 OH TYR A 65 -16.601 -1.518 6.802 1.00 0.00 O ATOM 0 H TYR A 65 -8.628 0.329 5.873 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.240 0.847 4.551 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -10.686 -1.211 6.001 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.664 -0.089 7.347 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -12.917 -0.525 4.354 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -12.605 -0.326 8.642 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.300 -1.173 4.553 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -15.019 -0.886 8.833 1.00 0.00 H new ATOM 0 HH TYR A 65 -17.044 -1.021 7.521 1.00 0.00 H new ATOM 1083 N ALA A 66 -11.446 3.133 5.488 1.00 0.00 N ATOM 1084 CA ALA A 66 -11.575 4.510 5.929 1.00 0.00 C ATOM 1085 C ALA A 66 -13.026 4.939 5.752 1.00 0.00 C ATOM 1086 O ALA A 66 -13.641 4.637 4.732 1.00 0.00 O ATOM 1087 CB ALA A 66 -10.631 5.403 5.123 1.00 0.00 C ATOM 0 H ALA A 66 -12.040 2.908 4.690 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.302 4.602 6.980 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.732 6.435 5.458 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.603 5.072 5.271 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.884 5.339 4.065 1.00 0.00 H new ATOM 1093 N SER A 67 -13.582 5.623 6.750 1.00 0.00 N ATOM 1094 CA SER A 67 -14.974 6.059 6.777 1.00 0.00 C ATOM 1095 C SER A 67 -15.923 4.879 6.515 1.00 0.00 C ATOM 1096 O SER A 67 -16.933 5.017 5.829 1.00 0.00 O ATOM 1097 CB SER A 67 -15.176 7.212 5.780 1.00 0.00 C ATOM 1098 OG SER A 67 -16.175 8.094 6.253 1.00 0.00 O ATOM 0 H SER A 67 -13.062 5.896 7.584 1.00 0.00 H new ATOM 0 HA SER A 67 -15.218 6.435 7.771 1.00 0.00 H new ATOM 0 HB2 SER A 67 -14.239 7.752 5.642 1.00 0.00 H new ATOM 0 HB3 SER A 67 -15.462 6.815 4.806 1.00 0.00 H new ATOM 0 HG SER A 67 -16.295 8.826 5.612 1.00 0.00 H new ATOM 1104 N ASP A 68 -15.575 3.705 7.051 1.00 0.00 N ATOM 1105 CA ASP A 68 -16.300 2.454 6.866 1.00 0.00 C ATOM 1106 C ASP A 68 -16.451 2.080 5.382 1.00 0.00 C ATOM 1107 O ASP A 68 -17.404 1.402 5.010 1.00 0.00 O ATOM 1108 CB ASP A 68 -17.644 2.519 7.612 1.00 0.00 C ATOM 1109 CG ASP A 68 -18.294 1.150 7.788 1.00 0.00 C ATOM 1110 OD1 ASP A 68 -17.650 0.295 8.436 1.00 0.00 O ATOM 1111 OD2 ASP A 68 -19.435 0.986 7.305 1.00 0.00 O ATOM 0 H ASP A 68 -14.752 3.601 7.645 1.00 0.00 H new ATOM 0 HA ASP A 68 -15.715 1.644 7.301 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -17.488 2.970 8.592 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -18.325 3.171 7.066 1.00 0.00 H new ATOM 1116 N LYS A 69 -15.504 2.498 4.532 1.00 0.00 N ATOM 1117 CA LYS A 69 -15.456 2.167 3.115 1.00 0.00 C ATOM 1118 C LYS A 69 -14.052 1.662 2.790 1.00 0.00 C ATOM 1119 O LYS A 69 -13.083 2.055 3.440 1.00 0.00 O ATOM 1120 CB LYS A 69 -15.787 3.406 2.273 1.00 0.00 C ATOM 1121 CG LYS A 69 -17.225 3.914 2.439 1.00 0.00 C ATOM 1122 CD LYS A 69 -18.253 2.946 1.840 1.00 0.00 C ATOM 1123 CE LYS A 69 -19.643 3.591 1.840 1.00 0.00 C ATOM 1124 NZ LYS A 69 -20.645 2.700 1.228 1.00 0.00 N ATOM 0 H LYS A 69 -14.730 3.093 4.827 1.00 0.00 H new ATOM 0 HA LYS A 69 -16.191 1.396 2.883 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -15.098 4.207 2.540 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -15.615 3.174 1.222 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -17.438 4.058 3.498 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -17.322 4.888 1.959 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -17.966 2.682 0.822 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -18.272 2.021 2.416 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -19.938 3.826 2.863 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -19.609 4.534 1.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -21.576 3.163 1.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -20.374 2.497 0.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -20.693 1.811 1.765 1.00 0.00 H new ATOM 1138 N LEU A 70 -13.948 0.758 1.812 1.00 0.00 N ATOM 1139 CA LEU A 70 -12.721 0.044 1.498 1.00 0.00 C ATOM 1140 C LEU A 70 -12.066 0.666 0.266 1.00 0.00 C ATOM 1141 O LEU A 70 -12.727 0.814 -0.762 1.00 0.00 O ATOM 1142 CB LEU A 70 -13.071 -1.434 1.273 1.00 0.00 C ATOM 1143 CG LEU A 70 -11.880 -2.381 1.466 1.00 0.00 C ATOM 1144 CD1 LEU A 70 -11.510 -2.506 2.949 1.00 0.00 C ATOM 1145 CD2 LEU A 70 -12.263 -3.764 0.927 1.00 0.00 C ATOM 0 H LEU A 70 -14.731 0.502 1.210 1.00 0.00 H new ATOM 0 HA LEU A 70 -12.006 0.116 2.318 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.867 -1.719 1.961 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.463 -1.557 0.263 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.020 -1.980 0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.663 -3.183 3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.242 -1.525 3.341 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.361 -2.899 3.505 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.426 -4.450 1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.128 -4.140 1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.508 -3.687 -0.132 1.00 0.00 H new ATOM 1157 N PHE A 71 -10.784 1.030 0.376 1.00 0.00 N ATOM 1158 CA PHE A 71 -9.998 1.642 -0.687 1.00 0.00 C ATOM 1159 C PHE A 71 -8.690 0.869 -0.838 1.00 0.00 C ATOM 1160 O PHE A 71 -8.062 0.531 0.162 1.00 0.00 O ATOM 1161 CB PHE A 71 -9.680 3.097 -0.327 1.00 0.00 C ATOM 1162 CG PHE A 71 -10.880 4.013 -0.211 1.00 0.00 C ATOM 1163 CD1 PHE A 71 -11.563 4.129 1.016 1.00 0.00 C ATOM 1164 CD2 PHE A 71 -11.193 4.888 -1.268 1.00 0.00 C ATOM 1165 CE1 PHE A 71 -12.538 5.127 1.188 1.00 0.00 C ATOM 1166 CE2 PHE A 71 -12.163 5.887 -1.093 1.00 0.00 C ATOM 1167 CZ PHE A 71 -12.837 6.008 0.135 1.00 0.00 C ATOM 0 H PHE A 71 -10.253 0.900 1.237 1.00 0.00 H new ATOM 0 HA PHE A 71 -10.563 1.617 -1.619 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -9.141 3.110 0.620 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -9.007 3.502 -1.082 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -11.337 3.450 1.825 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -10.685 4.790 -2.216 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -13.058 5.217 2.130 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -12.392 6.564 -1.903 1.00 0.00 H new ATOM 0 HZ PHE A 71 -13.583 6.777 0.269 1.00 0.00 H new ATOM 1177 N ARG A 72 -8.264 0.596 -2.072 1.00 0.00 N ATOM 1178 CA ARG A 72 -6.958 0.009 -2.331 1.00 0.00 C ATOM 1179 C ARG A 72 -5.937 1.137 -2.354 1.00 0.00 C ATOM 1180 O ARG A 72 -5.983 1.982 -3.246 1.00 0.00 O ATOM 1181 CB ARG A 72 -6.953 -0.782 -3.647 1.00 0.00 C ATOM 1182 CG ARG A 72 -5.519 -1.138 -4.076 1.00 0.00 C ATOM 1183 CD ARG A 72 -5.501 -2.308 -5.061 1.00 0.00 C ATOM 1184 NE ARG A 72 -5.836 -3.559 -4.372 1.00 0.00 N ATOM 1185 CZ ARG A 72 -5.995 -4.746 -4.974 1.00 0.00 C ATOM 1186 NH1 ARG A 72 -5.803 -4.865 -6.292 1.00 0.00 N ATOM 1187 NH2 ARG A 72 -6.344 -5.811 -4.247 1.00 0.00 N ATOM 0 H ARG A 72 -8.814 0.776 -2.912 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.705 -0.703 -1.546 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.537 -1.695 -3.528 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.434 -0.195 -4.429 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.049 -0.268 -4.535 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -4.928 -1.393 -3.196 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.214 -2.126 -5.865 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -4.516 -2.390 -5.520 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.957 -3.523 -3.360 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.534 -4.050 -6.844 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.925 -5.770 -6.745 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.487 -5.717 -3.241 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.467 -6.718 -4.697 1.00 0.00 H new ATOM 1201 N ALA A 73 -5.006 1.135 -1.399 1.00 0.00 N ATOM 1202 CA ALA A 73 -3.849 2.013 -1.434 1.00 0.00 C ATOM 1203 C ALA A 73 -2.675 1.209 -1.981 1.00 0.00 C ATOM 1204 O ALA A 73 -2.478 0.061 -1.571 1.00 0.00 O ATOM 1205 CB ALA A 73 -3.549 2.562 -0.041 1.00 0.00 C ATOM 0 H ALA A 73 -5.038 0.524 -0.583 1.00 0.00 H new ATOM 0 HA ALA A 73 -4.038 2.873 -2.077 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.679 3.217 -0.088 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.409 3.126 0.321 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.344 1.735 0.640 1.00 0.00 H new ATOM 1211 N ASP A 74 -1.916 1.810 -2.902 1.00 0.00 N ATOM 1212 CA ASP A 74 -0.672 1.264 -3.420 1.00 0.00 C ATOM 1213 C ASP A 74 0.448 2.209 -3.018 1.00 0.00 C ATOM 1214 O ASP A 74 0.457 3.363 -3.444 1.00 0.00 O ATOM 1215 CB ASP A 74 -0.761 1.116 -4.937 1.00 0.00 C ATOM 1216 CG ASP A 74 0.466 0.449 -5.553 1.00 0.00 C ATOM 1217 OD1 ASP A 74 1.385 0.091 -4.788 1.00 0.00 O ATOM 1218 OD2 ASP A 74 0.445 0.275 -6.790 1.00 0.00 O ATOM 0 H ASP A 74 -2.161 2.711 -3.314 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.477 0.273 -3.010 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.647 0.532 -5.186 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.893 2.101 -5.384 1.00 0.00 H new ATOM 1223 N ILE A 75 1.356 1.720 -2.177 1.00 0.00 N ATOM 1224 CA ILE A 75 2.492 2.449 -1.634 1.00 0.00 C ATOM 1225 C ILE A 75 3.759 1.822 -2.217 1.00 0.00 C ATOM 1226 O ILE A 75 3.759 0.628 -2.511 1.00 0.00 O ATOM 1227 CB ILE A 75 2.493 2.376 -0.090 1.00 0.00 C ATOM 1228 CG1 ILE A 75 1.181 2.891 0.537 1.00 0.00 C ATOM 1229 CG2 ILE A 75 3.664 3.195 0.481 1.00 0.00 C ATOM 1230 CD1 ILE A 75 0.098 1.815 0.665 1.00 0.00 C ATOM 0 H ILE A 75 1.315 0.758 -1.841 1.00 0.00 H new ATOM 0 HA ILE A 75 2.439 3.504 -1.903 1.00 0.00 H new ATOM 0 HB ILE A 75 2.597 1.322 0.166 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.396 3.298 1.525 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.796 3.711 -0.069 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.653 3.135 1.569 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.605 2.795 0.105 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.564 4.236 0.174 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.795 2.249 1.114 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.145 1.424 -0.323 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.463 1.004 1.296 1.00 0.00 H new ATOM 1242 N SER A 76 4.843 2.591 -2.367 1.00 0.00 N ATOM 1243 CA SER A 76 6.151 2.037 -2.695 1.00 0.00 C ATOM 1244 C SER A 76 7.204 2.642 -1.781 1.00 0.00 C ATOM 1245 O SER A 76 6.992 3.727 -1.243 1.00 0.00 O ATOM 1246 CB SER A 76 6.475 2.272 -4.174 1.00 0.00 C ATOM 1247 OG SER A 76 7.737 1.754 -4.540 1.00 0.00 O ATOM 0 H SER A 76 4.834 3.606 -2.264 1.00 0.00 H new ATOM 0 HA SER A 76 6.143 0.959 -2.534 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.704 1.809 -4.790 1.00 0.00 H new ATOM 0 HB3 SER A 76 6.450 3.342 -4.383 1.00 0.00 H new ATOM 0 HG SER A 76 7.953 0.985 -3.971 1.00 0.00 H new ATOM 1253 N GLU A 77 8.312 1.917 -1.606 1.00 0.00 N ATOM 1254 CA GLU A 77 9.496 2.319 -0.864 1.00 0.00 C ATOM 1255 C GLU A 77 10.684 2.152 -1.803 1.00 0.00 C ATOM 1256 O GLU A 77 10.798 1.100 -2.432 1.00 0.00 O ATOM 1257 CB GLU A 77 9.616 1.450 0.399 1.00 0.00 C ATOM 1258 CG GLU A 77 10.705 1.927 1.380 1.00 0.00 C ATOM 1259 CD GLU A 77 12.015 1.148 1.281 1.00 0.00 C ATOM 1260 OE1 GLU A 77 12.428 0.853 0.141 1.00 0.00 O ATOM 1261 OE2 GLU A 77 12.586 0.862 2.356 1.00 0.00 O ATOM 0 H GLU A 77 8.406 0.982 -2.003 1.00 0.00 H new ATOM 0 HA GLU A 77 9.449 3.356 -0.531 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.655 1.439 0.914 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.831 0.423 0.103 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.907 2.982 1.197 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.323 1.847 2.398 1.00 0.00 H new ATOM 1268 N ASP A 78 11.543 3.172 -1.906 1.00 0.00 N ATOM 1269 CA ASP A 78 12.765 3.115 -2.696 1.00 0.00 C ATOM 1270 C ASP A 78 13.925 2.788 -1.760 1.00 0.00 C ATOM 1271 O ASP A 78 14.247 3.587 -0.880 1.00 0.00 O ATOM 1272 CB ASP A 78 12.986 4.447 -3.419 1.00 0.00 C ATOM 1273 CG ASP A 78 12.059 4.588 -4.621 1.00 0.00 C ATOM 1274 OD1 ASP A 78 12.403 4.007 -5.674 1.00 0.00 O ATOM 1275 OD2 ASP A 78 11.022 5.270 -4.464 1.00 0.00 O ATOM 0 H ASP A 78 11.403 4.066 -1.436 1.00 0.00 H new ATOM 0 HA ASP A 78 12.692 2.340 -3.459 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.815 5.271 -2.727 1.00 0.00 H new ATOM 0 HB3 ASP A 78 14.023 4.517 -3.747 1.00 0.00 H new ATOM 1280 N TYR A 79 14.558 1.629 -1.951 1.00 0.00 N ATOM 1281 CA TYR A 79 15.527 1.030 -1.041 1.00 0.00 C ATOM 1282 C TYR A 79 16.624 2.020 -0.647 1.00 0.00 C ATOM 1283 O TYR A 79 16.928 2.190 0.529 1.00 0.00 O ATOM 1284 CB TYR A 79 16.113 -0.226 -1.703 1.00 0.00 C ATOM 1285 CG TYR A 79 17.167 -0.949 -0.885 1.00 0.00 C ATOM 1286 CD1 TYR A 79 16.854 -1.436 0.399 1.00 0.00 C ATOM 1287 CD2 TYR A 79 18.455 -1.158 -1.414 1.00 0.00 C ATOM 1288 CE1 TYR A 79 17.823 -2.122 1.150 1.00 0.00 C ATOM 1289 CE2 TYR A 79 19.426 -1.841 -0.659 1.00 0.00 C ATOM 1290 CZ TYR A 79 19.108 -2.325 0.621 1.00 0.00 C ATOM 1291 OH TYR A 79 20.039 -3.000 1.353 1.00 0.00 O ATOM 0 H TYR A 79 14.400 1.060 -2.782 1.00 0.00 H new ATOM 0 HA TYR A 79 15.023 0.751 -0.116 1.00 0.00 H new ATOM 0 HB2 TYR A 79 15.300 -0.920 -1.915 1.00 0.00 H new ATOM 0 HB3 TYR A 79 16.549 0.056 -2.661 1.00 0.00 H new ATOM 0 HD1 TYR A 79 15.866 -1.282 0.807 1.00 0.00 H new ATOM 0 HD2 TYR A 79 18.698 -0.793 -2.401 1.00 0.00 H new ATOM 0 HE1 TYR A 79 17.580 -2.493 2.135 1.00 0.00 H new ATOM 0 HE2 TYR A 79 20.416 -1.993 -1.063 1.00 0.00 H new ATOM 0 HH TYR A 79 20.876 -3.057 0.846 1.00 0.00 H new ATOM 1301 N LYS A 80 17.195 2.692 -1.646 1.00 0.00 N ATOM 1302 CA LYS A 80 18.291 3.634 -1.464 1.00 0.00 C ATOM 1303 C LYS A 80 17.841 4.846 -0.648 1.00 0.00 C ATOM 1304 O LYS A 80 18.647 5.450 0.056 1.00 0.00 O ATOM 1305 CB LYS A 80 18.844 4.023 -2.846 1.00 0.00 C ATOM 1306 CG LYS A 80 20.049 4.977 -2.783 1.00 0.00 C ATOM 1307 CD LYS A 80 19.638 6.442 -2.985 1.00 0.00 C ATOM 1308 CE LYS A 80 20.859 7.361 -2.853 1.00 0.00 C ATOM 1309 NZ LYS A 80 20.503 8.766 -3.120 1.00 0.00 N ATOM 0 H LYS A 80 16.902 2.593 -2.618 1.00 0.00 H new ATOM 0 HA LYS A 80 19.094 3.168 -0.892 1.00 0.00 H new ATOM 0 HB2 LYS A 80 19.136 3.118 -3.379 1.00 0.00 H new ATOM 0 HB3 LYS A 80 18.050 4.493 -3.426 1.00 0.00 H new ATOM 0 HG2 LYS A 80 20.545 4.870 -1.818 1.00 0.00 H new ATOM 0 HG3 LYS A 80 20.774 4.696 -3.547 1.00 0.00 H new ATOM 0 HD2 LYS A 80 19.185 6.567 -3.968 1.00 0.00 H new ATOM 0 HD3 LYS A 80 18.884 6.720 -2.249 1.00 0.00 H new ATOM 0 HE2 LYS A 80 21.276 7.274 -1.850 1.00 0.00 H new ATOM 0 HE3 LYS A 80 21.634 7.041 -3.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 21.349 9.363 -3.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 20.128 8.851 -4.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 19.781 9.076 -2.439 1.00 0.00 H new ATOM 1323 N THR A 81 16.563 5.219 -0.752 1.00 0.00 N ATOM 1324 CA THR A 81 16.015 6.340 -0.002 1.00 0.00 C ATOM 1325 C THR A 81 15.609 5.868 1.395 1.00 0.00 C ATOM 1326 O THR A 81 15.673 6.633 2.353 1.00 0.00 O ATOM 1327 CB THR A 81 14.818 6.919 -0.773 1.00 0.00 C ATOM 1328 OG1 THR A 81 15.202 7.191 -2.108 1.00 0.00 O ATOM 1329 CG2 THR A 81 14.300 8.221 -0.159 1.00 0.00 C ATOM 0 H THR A 81 15.887 4.752 -1.356 1.00 0.00 H new ATOM 0 HA THR A 81 16.762 7.125 0.114 1.00 0.00 H new ATOM 0 HB THR A 81 14.023 6.174 -0.728 1.00 0.00 H new ATOM 0 HG1 THR A 81 14.438 7.559 -2.600 1.00 0.00 H new ATOM 0 HG21 THR A 81 13.455 8.587 -0.742 1.00 0.00 H new ATOM 0 HG22 THR A 81 13.981 8.038 0.867 1.00 0.00 H new ATOM 0 HG23 THR A 81 15.095 8.967 -0.164 1.00 0.00 H new ATOM 1337 N ARG A 82 15.149 4.615 1.494 1.00 0.00 N ATOM 1338 CA ARG A 82 14.479 4.073 2.667 1.00 0.00 C ATOM 1339 C ARG A 82 13.368 5.031 3.119 1.00 0.00 C ATOM 1340 O ARG A 82 13.202 5.316 4.303 1.00 0.00 O ATOM 1341 CB ARG A 82 15.480 3.746 3.784 1.00 0.00 C ATOM 1342 CG ARG A 82 14.859 2.729 4.753 1.00 0.00 C ATOM 1343 CD ARG A 82 15.461 2.849 6.158 1.00 0.00 C ATOM 1344 NE ARG A 82 16.913 2.624 6.160 1.00 0.00 N ATOM 1345 CZ ARG A 82 17.509 1.424 6.166 1.00 0.00 C ATOM 1346 NH1 ARG A 82 16.781 0.304 6.087 1.00 0.00 N ATOM 1347 NH2 ARG A 82 18.841 1.353 6.255 1.00 0.00 N ATOM 0 H ARG A 82 15.238 3.938 0.737 1.00 0.00 H new ATOM 0 HA ARG A 82 14.009 3.125 2.405 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.398 3.342 3.357 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.751 4.655 4.320 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.781 2.885 4.804 1.00 0.00 H new ATOM 0 HG3 ARG A 82 15.018 1.720 4.373 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.248 3.840 6.559 1.00 0.00 H new ATOM 0 HD3 ARG A 82 14.982 2.127 6.820 1.00 0.00 H new ATOM 0 HE ARG A 82 17.515 3.447 6.157 1.00 0.00 H new ATOM 0 HH11 ARG A 82 15.765 0.360 6.022 1.00 0.00 H new ATOM 0 HH12 ARG A 82 17.242 -0.606 6.092 1.00 0.00 H new ATOM 0 HH21 ARG A 82 19.394 2.208 6.318 1.00 0.00 H new ATOM 0 HH22 ARG A 82 19.304 0.444 6.260 1.00 0.00 H new ATOM 1361 N GLY A 83 12.600 5.525 2.147 1.00 0.00 N ATOM 1362 CA GLY A 83 11.480 6.423 2.344 1.00 0.00 C ATOM 1363 C GLY A 83 10.424 6.022 1.327 1.00 0.00 C ATOM 1364 O GLY A 83 10.774 5.459 0.284 1.00 0.00 O ATOM 0 H GLY A 83 12.754 5.297 1.165 1.00 0.00 H new ATOM 0 HA2 GLY A 83 11.092 6.342 3.359 1.00 0.00 H new ATOM 0 HA3 GLY A 83 11.784 7.460 2.200 1.00 0.00 H new ATOM 1368 N ARG A 84 9.149 6.245 1.660 1.00 0.00 N ATOM 1369 CA ARG A 84 8.036 5.742 0.881 1.00 0.00 C ATOM 1370 C ARG A 84 7.271 6.854 0.186 1.00 0.00 C ATOM 1371 O ARG A 84 7.445 8.035 0.484 1.00 0.00 O ATOM 1372 CB ARG A 84 7.077 4.953 1.772 1.00 0.00 C ATOM 1373 CG ARG A 84 7.809 3.920 2.633 1.00 0.00 C ATOM 1374 CD ARG A 84 6.862 2.781 3.012 1.00 0.00 C ATOM 1375 NE ARG A 84 7.568 1.733 3.763 1.00 0.00 N ATOM 1376 CZ ARG A 84 7.617 1.612 5.099 1.00 0.00 C ATOM 1377 NH1 ARG A 84 6.984 2.479 5.896 1.00 0.00 N ATOM 1378 NH2 ARG A 84 8.318 0.608 5.635 1.00 0.00 N ATOM 0 H ARG A 84 8.869 6.782 2.481 1.00 0.00 H new ATOM 0 HA ARG A 84 8.456 5.091 0.115 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.533 5.642 2.418 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.338 4.448 1.150 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.666 3.524 2.088 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.196 4.396 3.534 1.00 0.00 H new ATOM 0 HD2 ARG A 84 6.040 3.172 3.612 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.423 2.354 2.110 1.00 0.00 H new ATOM 0 HE ARG A 84 8.068 1.031 3.217 1.00 0.00 H new ATOM 0 HH11 ARG A 84 6.452 3.249 5.491 1.00 0.00 H new ATOM 0 HH12 ARG A 84 7.033 2.370 6.909 1.00 0.00 H new ATOM 0 HH21 ARG A 84 8.806 -0.053 5.031 1.00 0.00 H new ATOM 0 HH22 ARG A 84 8.365 0.503 6.648 1.00 0.00 H new ATOM 1392 N LYS A 85 6.386 6.433 -0.713 1.00 0.00 N ATOM 1393 CA LYS A 85 5.459 7.291 -1.420 1.00 0.00 C ATOM 1394 C LYS A 85 4.218 6.520 -1.857 1.00 0.00 C ATOM 1395 O LYS A 85 4.297 5.336 -2.184 1.00 0.00 O ATOM 1396 CB LYS A 85 6.170 8.007 -2.580 1.00 0.00 C ATOM 1397 CG LYS A 85 6.840 7.090 -3.622 1.00 0.00 C ATOM 1398 CD LYS A 85 5.935 6.616 -4.773 1.00 0.00 C ATOM 1399 CE LYS A 85 5.813 7.604 -5.942 1.00 0.00 C ATOM 1400 NZ LYS A 85 5.024 8.797 -5.594 1.00 0.00 N ATOM 0 H LYS A 85 6.297 5.451 -0.973 1.00 0.00 H new ATOM 0 HA LYS A 85 5.104 8.067 -0.742 1.00 0.00 H new ATOM 0 HB2 LYS A 85 5.444 8.638 -3.092 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.930 8.668 -2.163 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.693 7.618 -4.049 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.233 6.213 -3.108 1.00 0.00 H new ATOM 0 HD2 LYS A 85 6.320 5.670 -5.153 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.939 6.419 -4.376 1.00 0.00 H new ATOM 0 HE2 LYS A 85 6.810 7.912 -6.259 1.00 0.00 H new ATOM 0 HE3 LYS A 85 5.350 7.101 -6.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.756 9.302 -6.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 4.166 8.508 -5.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 5.592 9.425 -4.990 1.00 0.00 H new ATOM 1414 N LEU A 86 3.070 7.201 -1.853 1.00 0.00 N ATOM 1415 CA LEU A 86 1.832 6.702 -2.432 1.00 0.00 C ATOM 1416 C LEU A 86 1.955 6.722 -3.962 1.00 0.00 C ATOM 1417 O LEU A 86 2.475 7.689 -4.518 1.00 0.00 O ATOM 1418 CB LEU A 86 0.693 7.615 -1.953 1.00 0.00 C ATOM 1419 CG LEU A 86 -0.716 7.164 -2.367 1.00 0.00 C ATOM 1420 CD1 LEU A 86 -1.170 5.934 -1.573 1.00 0.00 C ATOM 1421 CD2 LEU A 86 -1.694 8.315 -2.107 1.00 0.00 C ATOM 0 H LEU A 86 2.979 8.129 -1.439 1.00 0.00 H new ATOM 0 HA LEU A 86 1.627 5.677 -2.122 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.733 7.681 -0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.865 8.619 -2.340 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.697 6.897 -3.424 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.171 5.644 -1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.479 5.110 -1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.184 6.172 -0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.700 8.010 -2.396 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.683 8.570 -1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.396 9.185 -2.692 1.00 0.00 H new ATOM 1433 N LEU A 87 1.479 5.671 -4.637 1.00 0.00 N ATOM 1434 CA LEU A 87 1.305 5.644 -6.087 1.00 0.00 C ATOM 1435 C LEU A 87 -0.144 5.986 -6.413 1.00 0.00 C ATOM 1436 O LEU A 87 -0.402 6.918 -7.170 1.00 0.00 O ATOM 1437 CB LEU A 87 1.641 4.273 -6.695 1.00 0.00 C ATOM 1438 CG LEU A 87 3.135 4.058 -6.956 1.00 0.00 C ATOM 1439 CD1 LEU A 87 3.881 3.697 -5.676 1.00 0.00 C ATOM 1440 CD2 LEU A 87 3.318 2.923 -7.971 1.00 0.00 C ATOM 0 H LEU A 87 1.200 4.802 -4.181 1.00 0.00 H new ATOM 0 HA LEU A 87 1.993 6.372 -6.517 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.283 3.492 -6.024 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.098 4.160 -7.634 1.00 0.00 H new ATOM 0 HG LEU A 87 3.544 4.991 -7.344 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.938 3.552 -5.899 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.771 4.503 -4.951 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.468 2.777 -5.261 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.381 2.769 -8.157 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.883 2.006 -7.574 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.820 3.186 -8.904 1.00 0.00 H new ATOM 1452 N ARG A 88 -1.091 5.216 -5.865 1.00 0.00 N ATOM 1453 CA ARG A 88 -2.507 5.439 -6.106 1.00 0.00 C ATOM 1454 C ARG A 88 -3.337 5.036 -4.892 1.00 0.00 C ATOM 1455 O ARG A 88 -2.881 4.269 -4.041 1.00 0.00 O ATOM 1456 CB ARG A 88 -2.988 4.743 -7.393 1.00 0.00 C ATOM 1457 CG ARG A 88 -2.978 3.204 -7.359 1.00 0.00 C ATOM 1458 CD ARG A 88 -1.714 2.595 -7.973 1.00 0.00 C ATOM 1459 NE ARG A 88 -1.646 2.806 -9.425 1.00 0.00 N ATOM 1460 CZ ARG A 88 -2.305 2.080 -10.340 1.00 0.00 C ATOM 1461 NH1 ARG A 88 -3.175 1.135 -9.963 1.00 0.00 N ATOM 1462 NH2 ARG A 88 -2.089 2.308 -11.640 1.00 0.00 N ATOM 0 H ARG A 88 -0.892 4.429 -5.248 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.651 6.508 -6.261 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.003 5.077 -7.608 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.361 5.075 -8.220 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.070 2.869 -6.326 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.851 2.830 -7.894 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -0.835 3.035 -7.502 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.688 1.526 -7.761 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.052 3.563 -9.763 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -3.342 0.962 -8.972 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -3.671 0.588 -10.667 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -1.428 3.029 -11.928 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -2.586 1.761 -12.343 1.00 0.00 H new ATOM 1476 N PHE A 89 -4.557 5.574 -4.848 1.00 0.00 N ATOM 1477 CA PHE A 89 -5.560 5.360 -3.824 1.00 0.00 C ATOM 1478 C PHE A 89 -6.888 5.157 -4.553 1.00 0.00 C ATOM 1479 O PHE A 89 -7.549 6.127 -4.917 1.00 0.00 O ATOM 1480 CB PHE A 89 -5.583 6.588 -2.905 1.00 0.00 C ATOM 1481 CG PHE A 89 -6.527 6.461 -1.733 1.00 0.00 C ATOM 1482 CD1 PHE A 89 -6.102 5.819 -0.556 1.00 0.00 C ATOM 1483 CD2 PHE A 89 -7.830 6.985 -1.815 1.00 0.00 C ATOM 1484 CE1 PHE A 89 -6.990 5.666 0.522 1.00 0.00 C ATOM 1485 CE2 PHE A 89 -8.716 6.827 -0.740 1.00 0.00 C ATOM 1486 CZ PHE A 89 -8.308 6.135 0.414 1.00 0.00 C ATOM 0 H PHE A 89 -4.883 6.209 -5.576 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.355 4.490 -3.200 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.576 6.767 -2.529 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.864 7.463 -3.492 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.092 5.443 -0.481 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.147 7.508 -2.705 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.659 5.188 1.432 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -9.713 7.237 -0.798 1.00 0.00 H new ATOM 0 HZ PHE A 89 -9.009 5.964 1.217 1.00 0.00 H new ATOM 1496 N ASN A 90 -7.240 3.904 -4.850 1.00 0.00 N ATOM 1497 CA ASN A 90 -8.424 3.568 -5.625 1.00 0.00 C ATOM 1498 C ASN A 90 -9.559 3.216 -4.672 1.00 0.00 C ATOM 1499 O ASN A 90 -9.322 2.593 -3.639 1.00 0.00 O ATOM 1500 CB ASN A 90 -8.161 2.356 -6.525 1.00 0.00 C ATOM 1501 CG ASN A 90 -6.896 2.464 -7.368 1.00 0.00 C ATOM 1502 OD1 ASN A 90 -5.953 1.701 -7.184 1.00 0.00 O ATOM 1503 ND2 ASN A 90 -6.862 3.399 -8.316 1.00 0.00 N ATOM 0 H ASN A 90 -6.702 3.090 -4.554 1.00 0.00 H new ATOM 0 HA ASN A 90 -8.685 4.426 -6.245 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -8.094 1.464 -5.903 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -9.015 2.218 -7.188 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -6.038 3.493 -8.910 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -7.660 4.021 -8.448 1.00 0.00 H new ATOM 1510 N GLY A 91 -10.792 3.557 -5.042 1.00 0.00 N ATOM 1511 CA GLY A 91 -11.996 3.200 -4.306 1.00 0.00 C ATOM 1512 C GLY A 91 -12.948 4.393 -4.216 1.00 0.00 C ATOM 1513 O GLY A 91 -12.735 5.384 -4.915 1.00 0.00 O ATOM 0 H GLY A 91 -10.982 4.102 -5.883 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -12.496 2.366 -4.799 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -11.730 2.865 -3.304 1.00 0.00 H new ATOM 1517 N PRO A 92 -13.987 4.324 -3.371 1.00 0.00 N ATOM 1518 CA PRO A 92 -14.300 3.193 -2.509 1.00 0.00 C ATOM 1519 C PRO A 92 -14.809 2.011 -3.336 1.00 0.00 C ATOM 1520 O PRO A 92 -15.307 2.205 -4.444 1.00 0.00 O ATOM 1521 CB PRO A 92 -15.388 3.706 -1.568 1.00 0.00 C ATOM 1522 CG PRO A 92 -16.116 4.755 -2.409 1.00 0.00 C ATOM 1523 CD PRO A 92 -14.991 5.366 -3.245 1.00 0.00 C ATOM 0 HA PRO A 92 -13.426 2.835 -1.965 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -16.059 2.906 -1.255 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -14.964 4.140 -0.662 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -16.887 4.306 -3.036 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -16.607 5.502 -1.786 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -15.356 5.679 -4.223 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -14.579 6.251 -2.760 1.00 0.00 H new ATOM 1531 N VAL A 93 -14.707 0.794 -2.795 1.00 0.00 N ATOM 1532 CA VAL A 93 -15.333 -0.394 -3.368 1.00 0.00 C ATOM 1533 C VAL A 93 -16.071 -1.168 -2.268 1.00 0.00 C ATOM 1534 O VAL A 93 -15.562 -1.264 -1.151 1.00 0.00 O ATOM 1535 CB VAL A 93 -14.305 -1.288 -4.087 1.00 0.00 C ATOM 1536 CG1 VAL A 93 -13.841 -0.649 -5.400 1.00 0.00 C ATOM 1537 CG2 VAL A 93 -13.079 -1.623 -3.225 1.00 0.00 C ATOM 0 H VAL A 93 -14.183 0.607 -1.940 1.00 0.00 H new ATOM 0 HA VAL A 93 -16.054 -0.076 -4.121 1.00 0.00 H new ATOM 0 HB VAL A 93 -14.826 -2.223 -4.292 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -13.116 -1.302 -5.886 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.698 -0.506 -6.058 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.378 0.316 -5.192 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -12.397 -2.255 -3.793 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -12.570 -0.701 -2.943 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -13.399 -2.151 -2.326 1.00 0.00 H new ATOM 1547 N PRO A 94 -17.264 -1.721 -2.548 1.00 0.00 N ATOM 1548 CA PRO A 94 -17.950 -2.609 -1.626 1.00 0.00 C ATOM 1549 C PRO A 94 -17.334 -4.013 -1.740 1.00 0.00 C ATOM 1550 O PRO A 94 -17.319 -4.573 -2.836 1.00 0.00 O ATOM 1551 CB PRO A 94 -19.410 -2.599 -2.088 1.00 0.00 C ATOM 1552 CG PRO A 94 -19.309 -2.380 -3.598 1.00 0.00 C ATOM 1553 CD PRO A 94 -18.052 -1.522 -3.757 1.00 0.00 C ATOM 0 HA PRO A 94 -17.867 -2.304 -0.583 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -19.911 -3.538 -1.852 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -19.978 -1.804 -1.605 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -19.219 -3.325 -4.134 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -20.191 -1.874 -3.989 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -17.488 -1.819 -4.641 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -18.312 -0.471 -3.883 1.00 0.00 H new ATOM 1561 N PRO A 95 -16.818 -4.613 -0.656 1.00 0.00 N ATOM 1562 CA PRO A 95 -16.344 -5.986 -0.702 1.00 0.00 C ATOM 1563 C PRO A 95 -17.543 -6.943 -0.793 1.00 0.00 C ATOM 1564 O PRO A 95 -18.636 -6.598 -0.343 1.00 0.00 O ATOM 1565 CB PRO A 95 -15.560 -6.183 0.597 1.00 0.00 C ATOM 1566 CG PRO A 95 -16.263 -5.236 1.571 1.00 0.00 C ATOM 1567 CD PRO A 95 -16.699 -4.066 0.686 1.00 0.00 C ATOM 0 HA PRO A 95 -15.717 -6.190 -1.570 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.600 -7.217 0.940 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -14.507 -5.928 0.475 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -17.116 -5.715 2.050 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.593 -4.909 2.366 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -17.648 -3.650 1.025 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -15.968 -3.258 0.716 1.00 0.00 H new ATOM 1575 N PRO A 96 -17.363 -8.151 -1.350 1.00 0.00 N ATOM 1576 CA PRO A 96 -18.414 -9.154 -1.399 1.00 0.00 C ATOM 1577 C PRO A 96 -18.742 -9.664 0.009 1.00 0.00 C ATOM 1578 O PRO A 96 -19.922 -10.020 0.220 1.00 0.00 O ATOM 1579 CB PRO A 96 -17.866 -10.268 -2.295 1.00 0.00 C ATOM 1580 CG PRO A 96 -16.353 -10.168 -2.094 1.00 0.00 C ATOM 1581 CD PRO A 96 -16.129 -8.665 -1.922 1.00 0.00 C ATOM 1582 OXT PRO A 96 -17.809 -9.714 0.841 1.00 0.00 O ATOM 0 HA PRO A 96 -19.348 -8.755 -1.794 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -18.247 -11.246 -2.000 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -18.144 -10.119 -3.338 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -16.024 -10.728 -1.219 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -15.805 -10.563 -2.950 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -15.281 -8.467 -1.267 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -15.911 -8.189 -2.878 1.00 0.00 H new TER 1590 PRO A 96