USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 519 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 60 SER OG : rot 180:sc= -0.701 USER MOD Set 2.1: A 54 HIS : no HD1:sc= -0.482 K(o=0.76,f=-7.2!) USER MOD Set 2.2: A 55 THR OG1 : rot 60:sc= 1.24 USER MOD Set 3.1: A 45 ASN : amide:sc= -0.295 X(o=0.4,f=-0.043) USER MOD Set 3.2: A 70 LYS NZ :NH3+ -145:sc= 0.692 (180deg=0.0616) USER MOD Set 4.1: A 18 TYR OH : rot 24:sc= 0.85 USER MOD Set 4.2: A 28 GLN : amide:sc= -1.04! C(o=-0.19!,f=-4.4!) USER MOD Set 5.1: A 7 SER OG : rot -60:sc= 0.914 USER MOD Set 5.2: A 13 ASN : amide:sc= -10.2! C(o=-9.3!,f=-22!) USER MOD Single : A 1 SER N :NH3+ 162:sc= -0.404 (180deg=-0.836) USER MOD Single : A 1 SER OG : rot 140:sc= 0.032 USER MOD Single : A 4 THR OG1 : rot -16:sc= 0.419 USER MOD Single : A 12 ASN :FLIP amide:sc= -0.18 F(o=-0.91,f=-0.18) USER MOD Single : A 19 SER OG : rot 140:sc= 0.469 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= -0.21 USER MOD Single : A 27 HIS : no HD1:sc= -0.0547 X(o=-0.055,f=-0.16) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot -82:sc= 0.0621 USER MOD Single : A 36 TYR OH : rot 101:sc= 0.0292 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.198 K(o=-0.2,f=-1.3) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00789 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN :FLIP amide:sc= -4! C(o=-6.1!,f=-4!) USER MOD Single : A 50 SER OG : rot -102:sc= 1.25 USER MOD Single : A 59 SER OG : rot 180:sc= -0.117 USER MOD Single : A 65 ASN : amide:sc= 0.00326 K(o=0.0033,f=-0.59) USER MOD Single : A 71 SER OG : rot 109:sc= 1.62 USER MOD Single : A 75 GLN :FLIP amide:sc= -0.381 F(o=-2.4!,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -10.121 -4.644 0.603 1.00 0.00 N ATOM 2 CA SER A 1 -9.244 -3.505 0.995 1.00 0.00 C ATOM 3 C SER A 1 -7.792 -4.005 1.162 1.00 0.00 C ATOM 4 O SER A 1 -7.013 -3.420 1.888 1.00 0.00 O ATOM 5 CB SER A 1 -9.772 -2.917 2.320 1.00 0.00 C ATOM 6 OG SER A 1 -9.049 -1.708 2.501 1.00 0.00 O ATOM 0 H1 SER A 1 -11.115 -4.395 0.784 1.00 0.00 H new ATOM 0 H2 SER A 1 -9.994 -4.848 -0.409 1.00 0.00 H new ATOM 0 H3 SER A 1 -9.868 -5.485 1.160 1.00 0.00 H new ATOM 0 HA SER A 1 -9.254 -2.733 0.226 1.00 0.00 H new ATOM 0 HB2 SER A 1 -10.845 -2.731 2.269 1.00 0.00 H new ATOM 0 HB3 SER A 1 -9.606 -3.604 3.150 1.00 0.00 H new ATOM 0 HG SER A 1 -9.650 -1.017 2.850 1.00 0.00 H new ATOM 11 N ALA A 2 -7.460 -5.074 0.482 1.00 0.00 N ATOM 12 CA ALA A 2 -6.080 -5.644 0.578 1.00 0.00 C ATOM 13 C ALA A 2 -5.054 -4.975 -0.350 1.00 0.00 C ATOM 14 O ALA A 2 -5.235 -4.964 -1.553 1.00 0.00 O ATOM 15 CB ALA A 2 -6.161 -7.142 0.256 1.00 0.00 C ATOM 0 H ALA A 2 -8.090 -5.580 -0.140 1.00 0.00 H new ATOM 0 HA ALA A 2 -5.725 -5.459 1.592 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.166 -7.582 0.319 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.821 -7.633 0.971 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -6.554 -7.277 -0.752 1.00 0.00 H new ATOM 21 N PHE A 3 -4.010 -4.433 0.236 1.00 0.00 N ATOM 22 CA PHE A 3 -2.949 -3.763 -0.573 1.00 0.00 C ATOM 23 C PHE A 3 -1.876 -4.815 -0.864 1.00 0.00 C ATOM 24 O PHE A 3 -1.942 -5.917 -0.358 1.00 0.00 O ATOM 25 CB PHE A 3 -2.392 -2.612 0.248 1.00 0.00 C ATOM 26 CG PHE A 3 -1.438 -1.694 -0.552 1.00 0.00 C ATOM 27 CD1 PHE A 3 -1.870 -1.047 -1.696 1.00 0.00 C ATOM 28 CD2 PHE A 3 -0.140 -1.477 -0.118 1.00 0.00 C ATOM 29 CE1 PHE A 3 -1.035 -0.200 -2.387 1.00 0.00 C ATOM 30 CE2 PHE A 3 0.695 -0.628 -0.812 1.00 0.00 C ATOM 31 CZ PHE A 3 0.249 0.010 -1.943 1.00 0.00 C ATOM 0 H PHE A 3 -3.850 -4.428 1.243 1.00 0.00 H new ATOM 0 HA PHE A 3 -3.326 -3.363 -1.515 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -3.219 -2.016 0.634 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -1.860 -3.014 1.110 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -2.877 -1.209 -2.051 1.00 0.00 H new ATOM 0 HD2 PHE A 3 0.220 -1.976 0.770 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -1.388 0.299 -3.277 1.00 0.00 H new ATOM 0 HE2 PHE A 3 1.704 -0.464 -0.465 1.00 0.00 H new ATOM 0 HZ PHE A 3 0.906 0.676 -2.483 1.00 0.00 H new ATOM 41 N THR A 4 -0.920 -4.441 -1.673 1.00 0.00 N ATOM 42 CA THR A 4 0.193 -5.363 -2.047 1.00 0.00 C ATOM 43 C THR A 4 1.362 -4.509 -2.530 1.00 0.00 C ATOM 44 O THR A 4 1.166 -3.414 -3.021 1.00 0.00 O ATOM 45 CB THR A 4 -0.263 -6.315 -3.186 1.00 0.00 C ATOM 46 OG1 THR A 4 -1.401 -7.007 -2.693 1.00 0.00 O ATOM 47 CG2 THR A 4 0.763 -7.441 -3.413 1.00 0.00 C ATOM 0 H THR A 4 -0.863 -3.516 -2.099 1.00 0.00 H new ATOM 0 HA THR A 4 0.486 -5.968 -1.189 1.00 0.00 H new ATOM 0 HB THR A 4 -0.417 -5.728 -4.091 1.00 0.00 H new ATOM 0 HG1 THR A 4 -1.445 -6.912 -1.719 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.417 -8.092 -4.216 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.725 -7.007 -3.686 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.874 -8.022 -2.497 1.00 0.00 H new ATOM 55 N VAL A 5 2.540 -5.051 -2.368 1.00 0.00 N ATOM 56 CA VAL A 5 3.796 -4.354 -2.784 1.00 0.00 C ATOM 57 C VAL A 5 4.854 -5.414 -3.158 1.00 0.00 C ATOM 58 O VAL A 5 4.763 -6.552 -2.731 1.00 0.00 O ATOM 59 CB VAL A 5 4.343 -3.487 -1.608 1.00 0.00 C ATOM 60 CG1 VAL A 5 3.327 -2.420 -1.166 1.00 0.00 C ATOM 61 CG2 VAL A 5 4.633 -4.377 -0.382 1.00 0.00 C ATOM 0 H VAL A 5 2.689 -5.971 -1.954 1.00 0.00 H new ATOM 0 HA VAL A 5 3.584 -3.709 -3.637 1.00 0.00 H new ATOM 0 HB VAL A 5 5.250 -3.003 -1.970 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.745 -1.837 -0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.105 -1.759 -2.004 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.409 -2.906 -0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 5 5.014 -3.761 0.433 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.714 -4.870 -0.065 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.376 -5.130 -0.646 1.00 0.00 H new ATOM 71 N TRP A 6 5.822 -5.011 -3.942 1.00 0.00 N ATOM 72 CA TRP A 6 6.919 -5.913 -4.382 1.00 0.00 C ATOM 73 C TRP A 6 8.212 -5.109 -4.145 1.00 0.00 C ATOM 74 O TRP A 6 8.207 -3.901 -4.297 1.00 0.00 O ATOM 75 CB TRP A 6 6.676 -6.237 -5.855 1.00 0.00 C ATOM 76 CG TRP A 6 5.436 -7.136 -6.001 1.00 0.00 C ATOM 77 CD1 TRP A 6 5.447 -8.501 -5.955 1.00 0.00 C ATOM 78 CD2 TRP A 6 4.152 -6.733 -6.210 1.00 0.00 C ATOM 79 NE1 TRP A 6 4.199 -8.850 -6.136 1.00 0.00 N ATOM 80 CE2 TRP A 6 3.343 -7.866 -6.300 1.00 0.00 C ATOM 81 CE3 TRP A 6 3.584 -5.472 -6.335 1.00 0.00 C ATOM 82 CZ2 TRP A 6 1.977 -7.736 -6.515 1.00 0.00 C ATOM 83 CZ3 TRP A 6 2.220 -5.341 -6.550 1.00 0.00 C ATOM 84 CH2 TRP A 6 1.416 -6.473 -6.641 1.00 0.00 C ATOM 0 H TRP A 6 5.895 -4.060 -4.305 1.00 0.00 H new ATOM 0 HA TRP A 6 6.979 -6.862 -3.849 1.00 0.00 H new ATOM 0 HB2 TRP A 6 6.535 -5.315 -6.420 1.00 0.00 H new ATOM 0 HB3 TRP A 6 7.549 -6.737 -6.274 1.00 0.00 H new ATOM 0 HD1 TRP A 6 6.298 -9.149 -5.803 1.00 0.00 H new ATOM 0 HE1 TRP A 6 3.908 -9.827 -6.149 1.00 0.00 H new ATOM 0 HE3 TRP A 6 4.206 -4.592 -6.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 1.353 -8.615 -6.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 1.781 -4.359 -6.647 1.00 0.00 H new ATOM 0 HH2 TRP A 6 0.354 -6.369 -6.810 1.00 0.00 H new ATOM 95 N SER A 7 9.277 -5.785 -3.782 1.00 0.00 N ATOM 96 CA SER A 7 10.587 -5.095 -3.513 1.00 0.00 C ATOM 97 C SER A 7 11.076 -4.171 -4.644 1.00 0.00 C ATOM 98 O SER A 7 11.551 -3.081 -4.386 1.00 0.00 O ATOM 99 CB SER A 7 11.658 -6.175 -3.221 1.00 0.00 C ATOM 100 OG SER A 7 11.758 -6.957 -4.402 1.00 0.00 O ATOM 0 H SER A 7 9.298 -6.797 -3.658 1.00 0.00 H new ATOM 0 HA SER A 7 10.424 -4.439 -2.658 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.616 -5.718 -2.974 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.369 -6.790 -2.369 1.00 0.00 H new ATOM 0 HG SER A 7 10.891 -7.372 -4.594 1.00 0.00 H new ATOM 106 N GLY A 8 10.943 -4.642 -5.855 1.00 0.00 N ATOM 107 CA GLY A 8 11.369 -3.866 -7.063 1.00 0.00 C ATOM 108 C GLY A 8 11.916 -4.814 -8.133 1.00 0.00 C ATOM 109 O GLY A 8 12.423 -5.866 -7.797 1.00 0.00 O ATOM 0 H GLY A 8 10.546 -5.558 -6.065 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.523 -3.305 -7.461 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.132 -3.138 -6.787 1.00 0.00 H new ATOM 113 N PRO A 9 11.816 -4.432 -9.388 1.00 0.00 N ATOM 114 CA PRO A 9 11.567 -3.037 -9.863 1.00 0.00 C ATOM 115 C PRO A 9 10.074 -2.684 -9.816 1.00 0.00 C ATOM 116 O PRO A 9 9.667 -1.768 -9.129 1.00 0.00 O ATOM 117 CB PRO A 9 12.142 -3.001 -11.278 1.00 0.00 C ATOM 118 CG PRO A 9 12.315 -4.474 -11.725 1.00 0.00 C ATOM 119 CD PRO A 9 11.945 -5.378 -10.530 1.00 0.00 C ATOM 0 HA PRO A 9 12.040 -2.289 -9.227 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.474 -2.467 -11.954 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.097 -2.477 -11.294 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.675 -4.691 -12.580 1.00 0.00 H new ATOM 0 HG3 PRO A 9 13.342 -4.659 -12.040 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.014 -5.916 -10.710 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.715 -6.127 -10.343 1.00 0.00 H new ATOM 127 N GLY A 10 9.311 -3.439 -10.563 1.00 0.00 N ATOM 128 CA GLY A 10 7.842 -3.235 -10.633 1.00 0.00 C ATOM 129 C GLY A 10 7.131 -4.132 -9.622 1.00 0.00 C ATOM 130 O GLY A 10 7.596 -4.338 -8.517 1.00 0.00 O ATOM 0 H GLY A 10 9.658 -4.206 -11.139 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.604 -2.190 -10.433 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.485 -3.456 -11.639 1.00 0.00 H new ATOM 134 N CYS A 11 6.010 -4.635 -10.065 1.00 0.00 N ATOM 135 CA CYS A 11 5.150 -5.539 -9.249 1.00 0.00 C ATOM 136 C CYS A 11 5.485 -7.009 -9.550 1.00 0.00 C ATOM 137 O CYS A 11 4.613 -7.840 -9.721 1.00 0.00 O ATOM 138 CB CYS A 11 3.710 -5.202 -9.605 1.00 0.00 C ATOM 139 SG CYS A 11 3.427 -4.946 -11.375 1.00 0.00 S ATOM 0 H CYS A 11 5.642 -4.447 -10.998 1.00 0.00 H new ATOM 0 HA CYS A 11 5.316 -5.399 -8.181 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.063 -6.007 -9.257 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.415 -4.301 -9.067 1.00 0.00 H new ATOM 144 N ASN A 12 6.763 -7.273 -9.598 1.00 0.00 N ATOM 145 CA ASN A 12 7.275 -8.651 -9.883 1.00 0.00 C ATOM 146 C ASN A 12 8.158 -8.974 -8.678 1.00 0.00 C ATOM 147 O ASN A 12 7.691 -8.813 -7.570 1.00 0.00 O ATOM 148 CB ASN A 12 8.067 -8.589 -11.207 1.00 0.00 C ATOM 149 CG ASN A 12 7.167 -7.999 -12.304 1.00 0.00 C ATOM 150 OD1 ASN A 12 6.956 -6.708 -12.317 1.00 0.00 O flip ATOM 151 ND2 ASN A 12 6.651 -8.700 -13.151 1.00 0.00 N flip ATOM 0 H ASN A 12 7.493 -6.576 -9.448 1.00 0.00 H new ATOM 0 HA ASN A 12 6.509 -9.417 -10.007 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.960 -7.976 -11.083 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.402 -9.586 -11.492 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.812 -9.707 -13.146 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.057 -8.281 -13.867 1.00 0.00 H new ATOM 158 N ASN A 13 9.375 -9.411 -8.892 1.00 0.00 N ATOM 159 CA ASN A 13 10.310 -9.740 -7.761 1.00 0.00 C ATOM 160 C ASN A 13 9.636 -10.420 -6.535 1.00 0.00 C ATOM 161 O ASN A 13 8.722 -11.205 -6.696 1.00 0.00 O ATOM 162 CB ASN A 13 10.994 -8.395 -7.393 1.00 0.00 C ATOM 163 CG ASN A 13 9.948 -7.412 -6.832 1.00 0.00 C ATOM 164 OD1 ASN A 13 9.568 -7.520 -5.687 1.00 0.00 O ATOM 165 ND2 ASN A 13 9.442 -6.451 -7.564 1.00 0.00 N ATOM 0 H ASN A 13 9.771 -9.558 -9.821 1.00 0.00 H new ATOM 0 HA ASN A 13 11.028 -10.496 -8.080 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.778 -8.565 -6.655 1.00 0.00 H new ATOM 0 HB3 ASN A 13 11.473 -7.967 -8.274 1.00 0.00 H new ATOM 0 HD21 ASN A 13 8.748 -5.819 -7.166 1.00 0.00 H new ATOM 0 HD22 ASN A 13 9.742 -6.335 -8.532 1.00 0.00 H new ATOM 172 N ARG A 14 10.109 -10.097 -5.354 1.00 0.00 N ATOM 173 CA ARG A 14 9.546 -10.674 -4.094 1.00 0.00 C ATOM 174 C ARG A 14 8.215 -9.979 -3.764 1.00 0.00 C ATOM 175 O ARG A 14 8.153 -8.766 -3.722 1.00 0.00 O ATOM 176 CB ARG A 14 10.579 -10.462 -2.956 1.00 0.00 C ATOM 177 CG ARG A 14 9.982 -10.784 -1.560 1.00 0.00 C ATOM 178 CD ARG A 14 9.466 -12.235 -1.488 1.00 0.00 C ATOM 179 NE ARG A 14 8.837 -12.429 -0.144 1.00 0.00 N ATOM 180 CZ ARG A 14 7.928 -13.350 0.067 1.00 0.00 C ATOM 181 NH1 ARG A 14 7.538 -14.141 -0.898 1.00 0.00 N ATOM 182 NH2 ARG A 14 7.427 -13.447 1.266 1.00 0.00 N ATOM 0 H ARG A 14 10.878 -9.443 -5.210 1.00 0.00 H new ATOM 0 HA ARG A 14 9.353 -11.740 -4.210 1.00 0.00 H new ATOM 0 HB2 ARG A 14 11.448 -11.095 -3.133 1.00 0.00 H new ATOM 0 HB3 ARG A 14 10.928 -9.430 -2.971 1.00 0.00 H new ATOM 0 HG2 ARG A 14 10.741 -10.628 -0.794 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.165 -10.095 -1.344 1.00 0.00 H new ATOM 0 HD2 ARG A 14 8.741 -12.423 -2.280 1.00 0.00 H new ATOM 0 HD3 ARG A 14 10.285 -12.940 -1.632 1.00 0.00 H new ATOM 0 HE ARG A 14 9.123 -11.828 0.629 1.00 0.00 H new ATOM 0 HH11 ARG A 14 7.942 -14.046 -1.830 1.00 0.00 H new ATOM 0 HH12 ARG A 14 6.830 -14.853 -0.719 1.00 0.00 H new ATOM 0 HH21 ARG A 14 7.744 -12.818 2.004 1.00 0.00 H new ATOM 0 HH22 ARG A 14 6.718 -14.152 1.467 1.00 0.00 H new ATOM 196 N ALA A 15 7.200 -10.776 -3.540 1.00 0.00 N ATOM 197 CA ALA A 15 5.841 -10.240 -3.208 1.00 0.00 C ATOM 198 C ALA A 15 5.601 -10.162 -1.697 1.00 0.00 C ATOM 199 O ALA A 15 6.192 -10.897 -0.929 1.00 0.00 O ATOM 200 CB ALA A 15 4.791 -11.151 -3.851 1.00 0.00 C ATOM 0 H ALA A 15 7.256 -11.794 -3.574 1.00 0.00 H new ATOM 0 HA ALA A 15 5.768 -9.224 -3.597 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.794 -10.776 -3.620 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.933 -11.163 -4.932 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.898 -12.163 -3.459 1.00 0.00 H new ATOM 206 N GLU A 16 4.725 -9.255 -1.332 1.00 0.00 N ATOM 207 CA GLU A 16 4.371 -9.048 0.106 1.00 0.00 C ATOM 208 C GLU A 16 3.033 -8.285 0.147 1.00 0.00 C ATOM 209 O GLU A 16 2.939 -7.175 -0.339 1.00 0.00 O ATOM 210 CB GLU A 16 5.508 -8.240 0.772 1.00 0.00 C ATOM 211 CG GLU A 16 5.323 -8.246 2.305 1.00 0.00 C ATOM 212 CD GLU A 16 6.515 -7.543 2.985 1.00 0.00 C ATOM 213 OE1 GLU A 16 7.631 -7.973 2.739 1.00 0.00 O ATOM 214 OE2 GLU A 16 6.249 -6.610 3.723 1.00 0.00 O ATOM 0 H GLU A 16 4.234 -8.641 -1.982 1.00 0.00 H new ATOM 0 HA GLU A 16 4.260 -9.989 0.645 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.474 -8.671 0.511 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.505 -7.216 0.400 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.394 -7.741 2.569 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.242 -9.271 2.665 1.00 0.00 H new ATOM 221 N ARG A 17 2.039 -8.911 0.729 1.00 0.00 N ATOM 222 CA ARG A 17 0.676 -8.291 0.839 1.00 0.00 C ATOM 223 C ARG A 17 0.561 -7.401 2.091 1.00 0.00 C ATOM 224 O ARG A 17 1.296 -7.568 3.045 1.00 0.00 O ATOM 225 CB ARG A 17 -0.360 -9.437 0.883 1.00 0.00 C ATOM 226 CG ARG A 17 -1.803 -8.890 0.712 1.00 0.00 C ATOM 227 CD ARG A 17 -2.824 -10.047 0.719 1.00 0.00 C ATOM 228 NE ARG A 17 -2.810 -10.705 2.065 1.00 0.00 N ATOM 229 CZ ARG A 17 -2.134 -11.801 2.316 1.00 0.00 C ATOM 230 NH1 ARG A 17 -1.425 -12.384 1.384 1.00 0.00 N ATOM 231 NH2 ARG A 17 -2.193 -12.285 3.524 1.00 0.00 N ATOM 0 H ARG A 17 2.114 -9.841 1.140 1.00 0.00 H new ATOM 0 HA ARG A 17 0.494 -7.646 -0.020 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -0.144 -10.157 0.094 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.279 -9.969 1.831 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.031 -8.191 1.517 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.880 -8.335 -0.223 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.822 -9.669 0.495 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.576 -10.772 -0.056 1.00 0.00 H new ATOM 0 HE ARG A 17 -3.350 -10.282 2.820 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.392 -11.987 0.445 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.905 -13.236 1.596 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.751 -11.813 4.236 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.681 -13.136 3.758 1.00 0.00 H new ATOM 245 N TYR A 18 -0.371 -6.482 2.028 1.00 0.00 N ATOM 246 CA TYR A 18 -0.641 -5.519 3.137 1.00 0.00 C ATOM 247 C TYR A 18 -2.166 -5.413 3.316 1.00 0.00 C ATOM 248 O TYR A 18 -2.762 -4.364 3.159 1.00 0.00 O ATOM 249 CB TYR A 18 -0.007 -4.157 2.755 1.00 0.00 C ATOM 250 CG TYR A 18 1.483 -4.146 3.133 1.00 0.00 C ATOM 251 CD1 TYR A 18 2.439 -4.796 2.375 1.00 0.00 C ATOM 252 CD2 TYR A 18 1.882 -3.468 4.264 1.00 0.00 C ATOM 253 CE1 TYR A 18 3.768 -4.762 2.751 1.00 0.00 C ATOM 254 CE2 TYR A 18 3.205 -3.433 4.639 1.00 0.00 C ATOM 255 CZ TYR A 18 4.159 -4.079 3.886 1.00 0.00 C ATOM 256 OH TYR A 18 5.485 -4.033 4.266 1.00 0.00 O ATOM 0 H TYR A 18 -0.979 -6.357 1.219 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.207 -5.847 4.082 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.121 -3.981 1.685 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.527 -3.348 3.268 1.00 0.00 H new ATOM 0 HD1 TYR A 18 2.146 -5.333 1.485 1.00 0.00 H new ATOM 0 HD2 TYR A 18 1.145 -2.956 4.865 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.507 -5.274 2.153 1.00 0.00 H new ATOM 0 HE2 TYR A 18 3.497 -2.896 5.529 1.00 0.00 H new ATOM 0 HH TYR A 18 6.055 -4.188 3.484 1.00 0.00 H new ATOM 266 N SER A 19 -2.741 -6.541 3.646 1.00 0.00 N ATOM 267 CA SER A 19 -4.220 -6.639 3.864 1.00 0.00 C ATOM 268 C SER A 19 -4.597 -6.474 5.349 1.00 0.00 C ATOM 269 O SER A 19 -5.742 -6.641 5.722 1.00 0.00 O ATOM 270 CB SER A 19 -4.683 -8.011 3.344 1.00 0.00 C ATOM 271 OG SER A 19 -4.012 -8.953 4.171 1.00 0.00 O ATOM 0 H SER A 19 -2.238 -7.419 3.777 1.00 0.00 H new ATOM 0 HA SER A 19 -4.716 -5.832 3.325 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.765 -8.118 3.418 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.420 -8.147 2.295 1.00 0.00 H new ATOM 0 HG SER A 19 -4.621 -9.689 4.389 1.00 0.00 H new ATOM 277 N LYS A 20 -3.612 -6.148 6.145 1.00 0.00 N ATOM 278 CA LYS A 20 -3.810 -5.956 7.609 1.00 0.00 C ATOM 279 C LYS A 20 -4.749 -4.789 7.958 1.00 0.00 C ATOM 280 O LYS A 20 -4.462 -3.653 7.636 1.00 0.00 O ATOM 281 CB LYS A 20 -2.431 -5.724 8.241 1.00 0.00 C ATOM 282 CG LYS A 20 -1.530 -6.957 8.022 1.00 0.00 C ATOM 283 CD LYS A 20 -0.169 -6.708 8.701 1.00 0.00 C ATOM 284 CE LYS A 20 0.723 -7.947 8.529 1.00 0.00 C ATOM 285 NZ LYS A 20 2.027 -7.721 9.211 1.00 0.00 N ATOM 0 H LYS A 20 -2.653 -6.003 5.830 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.292 -6.851 8.003 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.965 -4.842 7.802 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.540 -5.529 9.308 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.002 -7.847 8.438 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.392 -7.138 6.956 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.314 -5.835 8.262 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.313 -6.494 9.760 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.229 -8.824 8.947 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.885 -8.147 7.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.630 -8.560 9.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.499 -6.894 8.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.864 -7.550 10.224 1.00 0.00 H new ATOM 299 N CYS A 21 -5.840 -5.124 8.607 1.00 0.00 N ATOM 300 CA CYS A 21 -6.861 -4.109 9.031 1.00 0.00 C ATOM 301 C CYS A 21 -6.176 -3.102 9.969 1.00 0.00 C ATOM 302 O CYS A 21 -5.919 -3.395 11.121 1.00 0.00 O ATOM 303 CB CYS A 21 -8.019 -4.859 9.750 1.00 0.00 C ATOM 304 SG CYS A 21 -8.721 -4.168 11.272 1.00 0.00 S ATOM 0 H CYS A 21 -6.071 -6.083 8.867 1.00 0.00 H new ATOM 0 HA CYS A 21 -7.272 -3.567 8.180 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -8.834 -4.966 9.034 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.664 -5.863 9.981 1.00 0.00 H new ATOM 309 N GLY A 22 -5.899 -1.944 9.427 1.00 0.00 N ATOM 310 CA GLY A 22 -5.230 -0.855 10.205 1.00 0.00 C ATOM 311 C GLY A 22 -3.959 -0.401 9.478 1.00 0.00 C ATOM 312 O GLY A 22 -3.769 -0.698 8.314 1.00 0.00 O ATOM 0 H GLY A 22 -6.112 -1.702 8.459 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.911 -0.012 10.327 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.980 -1.211 11.205 1.00 0.00 H new ATOM 316 N CYS A 23 -3.124 0.307 10.199 1.00 0.00 N ATOM 317 CA CYS A 23 -1.849 0.812 9.604 1.00 0.00 C ATOM 318 C CYS A 23 -0.757 -0.266 9.550 1.00 0.00 C ATOM 319 O CYS A 23 -0.716 -1.160 10.374 1.00 0.00 O ATOM 320 CB CYS A 23 -1.355 2.002 10.430 1.00 0.00 C ATOM 321 SG CYS A 23 0.123 2.833 9.798 1.00 0.00 S ATOM 0 H CYS A 23 -3.272 0.557 11.177 1.00 0.00 H new ATOM 0 HA CYS A 23 -2.055 1.111 8.576 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -2.160 2.734 10.498 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -1.151 1.658 11.444 1.00 0.00 H new ATOM 326 N SER A 24 0.092 -0.129 8.562 1.00 0.00 N ATOM 327 CA SER A 24 1.226 -1.083 8.345 1.00 0.00 C ATOM 328 C SER A 24 2.289 -0.404 7.462 1.00 0.00 C ATOM 329 O SER A 24 1.963 0.167 6.442 1.00 0.00 O ATOM 330 CB SER A 24 0.667 -2.356 7.668 1.00 0.00 C ATOM 331 OG SER A 24 -0.065 -1.878 6.548 1.00 0.00 O ATOM 0 H SER A 24 0.045 0.626 7.877 1.00 0.00 H new ATOM 0 HA SER A 24 1.693 -1.361 9.290 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.470 -3.025 7.360 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.027 -2.918 8.349 1.00 0.00 H new ATOM 0 HG SER A 24 -0.452 -2.636 6.063 1.00 0.00 H new ATOM 337 N ALA A 25 3.531 -0.489 7.875 1.00 0.00 N ATOM 338 CA ALA A 25 4.651 0.141 7.103 1.00 0.00 C ATOM 339 C ALA A 25 5.129 -0.654 5.873 1.00 0.00 C ATOM 340 O ALA A 25 5.640 -1.751 5.983 1.00 0.00 O ATOM 341 CB ALA A 25 5.826 0.351 8.067 1.00 0.00 C ATOM 0 H ALA A 25 3.820 -0.974 8.724 1.00 0.00 H new ATOM 0 HA ALA A 25 4.266 1.077 6.699 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.658 0.809 7.532 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.515 1.004 8.883 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.141 -0.611 8.472 1.00 0.00 H new ATOM 347 N ILE A 26 4.932 -0.035 4.735 1.00 0.00 N ATOM 348 CA ILE A 26 5.320 -0.619 3.413 1.00 0.00 C ATOM 349 C ILE A 26 6.790 -0.285 3.115 1.00 0.00 C ATOM 350 O ILE A 26 7.132 0.833 2.782 1.00 0.00 O ATOM 351 CB ILE A 26 4.352 -0.040 2.310 1.00 0.00 C ATOM 352 CG1 ILE A 26 3.938 1.439 2.608 1.00 0.00 C ATOM 353 CG2 ILE A 26 3.103 -0.957 2.268 1.00 0.00 C ATOM 354 CD1 ILE A 26 3.044 2.001 1.493 1.00 0.00 C ATOM 0 H ILE A 26 4.501 0.887 4.667 1.00 0.00 H new ATOM 0 HA ILE A 26 5.227 -1.705 3.424 1.00 0.00 H new ATOM 0 HB ILE A 26 4.862 -0.025 1.347 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.410 1.487 3.560 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.831 2.056 2.708 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.407 -0.589 1.515 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.406 -1.973 2.016 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.617 -0.955 3.244 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.773 3.030 1.728 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.584 1.975 0.546 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.140 1.397 1.412 1.00 0.00 H new ATOM 366 N HIS A 27 7.607 -1.302 3.255 1.00 0.00 N ATOM 367 CA HIS A 27 9.083 -1.178 3.018 1.00 0.00 C ATOM 368 C HIS A 27 9.520 -1.610 1.610 1.00 0.00 C ATOM 369 O HIS A 27 10.613 -1.285 1.187 1.00 0.00 O ATOM 370 CB HIS A 27 9.818 -2.039 4.052 1.00 0.00 C ATOM 371 CG HIS A 27 9.368 -1.644 5.463 1.00 0.00 C ATOM 372 ND1 HIS A 27 8.633 -2.373 6.234 1.00 0.00 N ATOM 373 CD2 HIS A 27 9.616 -0.502 6.203 1.00 0.00 C ATOM 374 CE1 HIS A 27 8.434 -1.756 7.353 1.00 0.00 C ATOM 375 NE2 HIS A 27 9.026 -0.587 7.380 1.00 0.00 N ATOM 0 H HIS A 27 7.305 -2.237 3.531 1.00 0.00 H new ATOM 0 HA HIS A 27 9.334 -0.122 3.114 1.00 0.00 H new ATOM 0 HB2 HIS A 27 9.610 -3.094 3.875 1.00 0.00 H new ATOM 0 HB3 HIS A 27 10.895 -1.905 3.952 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.207 0.337 5.866 1.00 0.00 H new ATOM 0 HE1 HIS A 27 7.850 -2.156 8.168 1.00 0.00 H new ATOM 0 HE2 HIS A 27 9.030 0.098 8.136 1.00 0.00 H new ATOM 383 N GLN A 28 8.665 -2.328 0.928 1.00 0.00 N ATOM 384 CA GLN A 28 8.992 -2.804 -0.453 1.00 0.00 C ATOM 385 C GLN A 28 8.863 -1.653 -1.457 1.00 0.00 C ATOM 386 O GLN A 28 7.795 -1.370 -1.961 1.00 0.00 O ATOM 387 CB GLN A 28 8.031 -3.946 -0.817 1.00 0.00 C ATOM 388 CG GLN A 28 8.320 -5.202 0.031 1.00 0.00 C ATOM 389 CD GLN A 28 7.981 -4.977 1.514 1.00 0.00 C ATOM 390 OE1 GLN A 28 6.919 -4.500 1.862 1.00 0.00 O ATOM 391 NE2 GLN A 28 8.858 -5.308 2.421 1.00 0.00 N ATOM 0 H GLN A 28 7.746 -2.608 1.271 1.00 0.00 H new ATOM 0 HA GLN A 28 10.020 -3.165 -0.487 1.00 0.00 H new ATOM 0 HB2 GLN A 28 7.002 -3.625 -0.658 1.00 0.00 H new ATOM 0 HB3 GLN A 28 8.130 -4.186 -1.875 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.739 -6.041 -0.352 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.372 -5.472 -0.065 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.753 -5.709 2.142 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.648 -5.165 3.409 1.00 0.00 H new ATOM 400 N LYS A 29 9.987 -1.036 -1.705 1.00 0.00 N ATOM 401 CA LYS A 29 10.101 0.119 -2.644 1.00 0.00 C ATOM 402 C LYS A 29 10.252 -0.335 -4.106 1.00 0.00 C ATOM 403 O LYS A 29 11.234 -0.038 -4.761 1.00 0.00 O ATOM 404 CB LYS A 29 11.314 0.946 -2.184 1.00 0.00 C ATOM 405 CG LYS A 29 11.045 1.555 -0.786 1.00 0.00 C ATOM 406 CD LYS A 29 12.304 2.282 -0.248 1.00 0.00 C ATOM 407 CE LYS A 29 13.442 1.275 0.038 1.00 0.00 C ATOM 408 NZ LYS A 29 14.615 1.991 0.613 1.00 0.00 N ATOM 0 H LYS A 29 10.873 -1.299 -1.273 1.00 0.00 H new ATOM 0 HA LYS A 29 9.190 0.717 -2.619 1.00 0.00 H new ATOM 0 HB2 LYS A 29 12.202 0.315 -2.149 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.516 1.741 -2.902 1.00 0.00 H new ATOM 0 HG2 LYS A 29 10.212 2.256 -0.844 1.00 0.00 H new ATOM 0 HG3 LYS A 29 10.751 0.767 -0.092 1.00 0.00 H new ATOM 0 HD2 LYS A 29 12.641 3.021 -0.975 1.00 0.00 H new ATOM 0 HD3 LYS A 29 12.054 2.824 0.664 1.00 0.00 H new ATOM 0 HE2 LYS A 29 13.096 0.508 0.731 1.00 0.00 H new ATOM 0 HE3 LYS A 29 13.730 0.766 -0.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 15.378 1.310 0.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 14.951 2.707 -0.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 14.337 2.457 1.500 1.00 0.00 H new ATOM 422 N GLY A 30 9.258 -1.047 -4.567 1.00 0.00 N ATOM 423 CA GLY A 30 9.260 -1.559 -5.973 1.00 0.00 C ATOM 424 C GLY A 30 7.974 -1.179 -6.700 1.00 0.00 C ATOM 425 O GLY A 30 7.893 -0.138 -7.322 1.00 0.00 O ATOM 0 H GLY A 30 8.433 -1.300 -4.023 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.118 -1.153 -6.509 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.371 -2.643 -5.968 1.00 0.00 H new ATOM 429 N GLY A 31 7.008 -2.053 -6.594 1.00 0.00 N ATOM 430 CA GLY A 31 5.678 -1.839 -7.242 1.00 0.00 C ATOM 431 C GLY A 31 4.593 -2.094 -6.202 1.00 0.00 C ATOM 432 O GLY A 31 4.902 -2.594 -5.138 1.00 0.00 O ATOM 0 H GLY A 31 7.086 -2.927 -6.073 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.603 -0.822 -7.628 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.556 -2.512 -8.091 1.00 0.00 H new ATOM 436 N TYR A 32 3.362 -1.750 -6.504 1.00 0.00 N ATOM 437 CA TYR A 32 2.270 -1.991 -5.504 1.00 0.00 C ATOM 438 C TYR A 32 0.837 -1.981 -6.057 1.00 0.00 C ATOM 439 O TYR A 32 0.470 -1.122 -6.832 1.00 0.00 O ATOM 440 CB TYR A 32 2.398 -0.938 -4.393 1.00 0.00 C ATOM 441 CG TYR A 32 2.349 0.474 -4.977 1.00 0.00 C ATOM 442 CD1 TYR A 32 3.512 1.079 -5.397 1.00 0.00 C ATOM 443 CD2 TYR A 32 1.158 1.156 -5.089 1.00 0.00 C ATOM 444 CE1 TYR A 32 3.487 2.347 -5.922 1.00 0.00 C ATOM 445 CE2 TYR A 32 1.129 2.424 -5.615 1.00 0.00 C ATOM 446 CZ TYR A 32 2.295 3.033 -6.037 1.00 0.00 C ATOM 447 OH TYR A 32 2.269 4.308 -6.564 1.00 0.00 O ATOM 0 H TYR A 32 3.069 -1.321 -7.382 1.00 0.00 H new ATOM 0 HA TYR A 32 2.415 -3.009 -5.142 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.593 -1.066 -3.670 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.335 -1.082 -3.855 1.00 0.00 H new ATOM 0 HD1 TYR A 32 4.451 0.552 -5.313 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.240 0.690 -4.761 1.00 0.00 H new ATOM 0 HE1 TYR A 32 4.406 2.811 -6.247 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.189 2.949 -5.699 1.00 0.00 H new ATOM 0 HH TYR A 32 2.512 4.954 -5.869 1.00 0.00 H new ATOM 457 N ASP A 33 0.066 -2.947 -5.630 1.00 0.00 N ATOM 458 CA ASP A 33 -1.357 -3.074 -6.074 1.00 0.00 C ATOM 459 C ASP A 33 -2.303 -2.934 -4.872 1.00 0.00 C ATOM 460 O ASP A 33 -1.903 -3.131 -3.744 1.00 0.00 O ATOM 461 CB ASP A 33 -1.571 -4.461 -6.725 1.00 0.00 C ATOM 462 CG ASP A 33 -3.077 -4.816 -6.846 1.00 0.00 C ATOM 463 OD1 ASP A 33 -3.782 -4.103 -7.541 1.00 0.00 O ATOM 464 OD2 ASP A 33 -3.448 -5.796 -6.221 1.00 0.00 O ATOM 0 H ASP A 33 0.369 -3.670 -4.977 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.573 -2.285 -6.795 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.115 -4.472 -7.715 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.065 -5.223 -6.132 1.00 0.00 H new ATOM 469 N PHE A 34 -3.533 -2.596 -5.164 1.00 0.00 N ATOM 470 CA PHE A 34 -4.577 -2.433 -4.113 1.00 0.00 C ATOM 471 C PHE A 34 -5.777 -3.250 -4.586 1.00 0.00 C ATOM 472 O PHE A 34 -5.911 -3.512 -5.767 1.00 0.00 O ATOM 473 CB PHE A 34 -5.009 -0.961 -3.963 1.00 0.00 C ATOM 474 CG PHE A 34 -6.043 -0.888 -2.812 1.00 0.00 C ATOM 475 CD1 PHE A 34 -5.678 -1.220 -1.519 1.00 0.00 C ATOM 476 CD2 PHE A 34 -7.348 -0.492 -3.049 1.00 0.00 C ATOM 477 CE1 PHE A 34 -6.587 -1.158 -0.490 1.00 0.00 C ATOM 478 CE2 PHE A 34 -8.260 -0.428 -2.015 1.00 0.00 C ATOM 479 CZ PHE A 34 -7.880 -0.762 -0.735 1.00 0.00 C ATOM 0 H PHE A 34 -3.863 -2.422 -6.113 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.192 -2.760 -3.147 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.148 -0.330 -3.744 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.445 -0.594 -4.892 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.664 -1.532 -1.316 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.655 -0.231 -4.051 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.285 -1.421 0.513 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.275 -0.115 -2.211 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.595 -0.713 0.073 1.00 0.00 H new ATOM 489 N SER A 35 -6.611 -3.629 -3.652 1.00 0.00 N ATOM 490 CA SER A 35 -7.815 -4.429 -4.009 1.00 0.00 C ATOM 491 C SER A 35 -8.970 -4.082 -3.078 1.00 0.00 C ATOM 492 O SER A 35 -9.044 -4.546 -1.956 1.00 0.00 O ATOM 493 CB SER A 35 -7.459 -5.928 -3.901 1.00 0.00 C ATOM 494 OG SER A 35 -8.641 -6.600 -4.314 1.00 0.00 O ATOM 0 H SER A 35 -6.508 -3.418 -2.659 1.00 0.00 H new ATOM 0 HA SER A 35 -8.126 -4.201 -5.029 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.613 -6.183 -4.539 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.183 -6.199 -2.882 1.00 0.00 H new ATOM 0 HG SER A 35 -8.497 -7.569 -4.275 1.00 0.00 H new ATOM 500 N TYR A 36 -9.835 -3.256 -3.602 1.00 0.00 N ATOM 501 CA TYR A 36 -11.033 -2.807 -2.839 1.00 0.00 C ATOM 502 C TYR A 36 -12.097 -3.908 -2.944 1.00 0.00 C ATOM 503 O TYR A 36 -12.165 -4.608 -3.936 1.00 0.00 O ATOM 504 CB TYR A 36 -11.555 -1.510 -3.458 1.00 0.00 C ATOM 505 CG TYR A 36 -12.770 -1.011 -2.652 1.00 0.00 C ATOM 506 CD1 TYR A 36 -14.042 -1.497 -2.900 1.00 0.00 C ATOM 507 CD2 TYR A 36 -12.600 -0.073 -1.655 1.00 0.00 C ATOM 508 CE1 TYR A 36 -15.117 -1.051 -2.162 1.00 0.00 C ATOM 509 CE2 TYR A 36 -13.677 0.371 -0.918 1.00 0.00 C ATOM 510 CZ TYR A 36 -14.942 -0.115 -1.165 1.00 0.00 C ATOM 511 OH TYR A 36 -16.015 0.330 -0.421 1.00 0.00 O ATOM 0 H TYR A 36 -9.760 -2.868 -4.542 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.788 -2.626 -1.792 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -10.770 -0.753 -3.460 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -11.838 -1.678 -4.497 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -14.193 -2.231 -3.678 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -11.614 0.317 -1.450 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -16.104 -1.438 -2.366 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -13.528 1.106 -0.141 1.00 0.00 H new ATOM 0 HH TYR A 36 -16.021 -0.124 0.448 1.00 0.00 H new ATOM 521 N THR A 37 -12.895 -4.017 -1.914 1.00 0.00 N ATOM 522 CA THR A 37 -13.981 -5.049 -1.889 1.00 0.00 C ATOM 523 C THR A 37 -14.926 -4.764 -0.714 1.00 0.00 C ATOM 524 O THR A 37 -16.051 -5.223 -0.700 1.00 0.00 O ATOM 525 CB THR A 37 -13.337 -6.469 -1.753 1.00 0.00 C ATOM 526 OG1 THR A 37 -14.431 -7.376 -1.744 1.00 0.00 O ATOM 527 CG2 THR A 37 -12.639 -6.690 -0.399 1.00 0.00 C ATOM 0 H THR A 37 -12.842 -3.431 -1.081 1.00 0.00 H new ATOM 0 HA THR A 37 -14.557 -5.013 -2.814 1.00 0.00 H new ATOM 0 HB THR A 37 -12.608 -6.595 -2.553 1.00 0.00 H new ATOM 0 HG1 THR A 37 -14.095 -8.293 -1.662 1.00 0.00 H new ATOM 0 HG21 THR A 37 -12.214 -7.693 -0.368 1.00 0.00 H new ATOM 0 HG22 THR A 37 -11.844 -5.955 -0.275 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.365 -6.579 0.407 1.00 0.00 H new ATOM 535 N GLY A 38 -14.424 -4.010 0.231 1.00 0.00 N ATOM 536 CA GLY A 38 -15.222 -3.647 1.435 1.00 0.00 C ATOM 537 C GLY A 38 -14.799 -2.270 1.943 1.00 0.00 C ATOM 538 O GLY A 38 -15.642 -1.465 2.290 1.00 0.00 O ATOM 0 H GLY A 38 -13.479 -3.626 0.216 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -16.284 -3.644 1.191 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -15.077 -4.393 2.217 1.00 0.00 H new ATOM 542 N GLN A 39 -13.506 -2.043 1.969 1.00 0.00 N ATOM 543 CA GLN A 39 -12.971 -0.730 2.453 1.00 0.00 C ATOM 544 C GLN A 39 -11.827 -0.135 1.618 1.00 0.00 C ATOM 545 O GLN A 39 -11.235 -0.792 0.785 1.00 0.00 O ATOM 546 CB GLN A 39 -12.496 -0.907 3.887 1.00 0.00 C ATOM 547 CG GLN A 39 -13.690 -1.118 4.831 1.00 0.00 C ATOM 548 CD GLN A 39 -14.582 0.130 4.884 1.00 0.00 C ATOM 549 OE1 GLN A 39 -14.116 1.242 5.043 1.00 0.00 O ATOM 550 NE2 GLN A 39 -15.872 -0.015 4.755 1.00 0.00 N ATOM 0 H GLN A 39 -12.796 -2.714 1.675 1.00 0.00 H new ATOM 0 HA GLN A 39 -13.793 -0.019 2.364 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -11.821 -1.761 3.949 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -11.930 -0.029 4.199 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -14.276 -1.973 4.495 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -13.329 -1.353 5.832 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -16.270 -0.945 4.621 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -16.483 0.801 4.788 1.00 0.00 H new ATOM 559 N THR A 40 -11.575 1.119 1.903 1.00 0.00 N ATOM 560 CA THR A 40 -10.511 1.917 1.228 1.00 0.00 C ATOM 561 C THR A 40 -9.156 1.750 1.941 1.00 0.00 C ATOM 562 O THR A 40 -9.031 0.965 2.862 1.00 0.00 O ATOM 563 CB THR A 40 -10.959 3.393 1.245 1.00 0.00 C ATOM 564 OG1 THR A 40 -11.111 3.719 2.620 1.00 0.00 O ATOM 565 CG2 THR A 40 -12.366 3.586 0.649 1.00 0.00 C ATOM 0 H THR A 40 -12.091 1.643 2.610 1.00 0.00 H new ATOM 0 HA THR A 40 -10.374 1.571 0.204 1.00 0.00 H new ATOM 0 HB THR A 40 -10.239 3.987 0.683 1.00 0.00 H new ATOM 0 HG1 THR A 40 -11.396 4.653 2.705 1.00 0.00 H new ATOM 0 HG21 THR A 40 -12.634 4.642 0.684 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.373 3.244 -0.386 1.00 0.00 H new ATOM 0 HG23 THR A 40 -13.088 3.009 1.226 1.00 0.00 H new ATOM 573 N ALA A 41 -8.182 2.501 1.486 1.00 0.00 N ATOM 574 CA ALA A 41 -6.814 2.440 2.086 1.00 0.00 C ATOM 575 C ALA A 41 -6.015 3.716 1.800 1.00 0.00 C ATOM 576 O ALA A 41 -5.678 4.003 0.668 1.00 0.00 O ATOM 577 CB ALA A 41 -6.067 1.239 1.512 1.00 0.00 C ATOM 0 H ALA A 41 -8.279 3.161 0.715 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.921 2.343 3.166 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.069 1.190 1.946 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.611 0.325 1.749 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.987 1.343 0.430 1.00 0.00 H new ATOM 583 N ALA A 42 -5.738 4.442 2.853 1.00 0.00 N ATOM 584 CA ALA A 42 -4.962 5.717 2.745 1.00 0.00 C ATOM 585 C ALA A 42 -3.470 5.368 2.632 1.00 0.00 C ATOM 586 O ALA A 42 -3.079 4.296 3.052 1.00 0.00 O ATOM 587 CB ALA A 42 -5.245 6.535 3.994 1.00 0.00 C ATOM 0 H ALA A 42 -6.022 4.201 3.802 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.247 6.296 1.867 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.693 7.474 3.947 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.313 6.745 4.057 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.933 5.974 4.875 1.00 0.00 H new ATOM 593 N LEU A 43 -2.673 6.256 2.080 1.00 0.00 N ATOM 594 CA LEU A 43 -1.217 5.962 1.939 1.00 0.00 C ATOM 595 C LEU A 43 -0.392 7.095 2.565 1.00 0.00 C ATOM 596 O LEU A 43 -0.104 8.099 1.942 1.00 0.00 O ATOM 597 CB LEU A 43 -0.992 5.792 0.425 1.00 0.00 C ATOM 598 CG LEU A 43 0.167 4.836 0.087 1.00 0.00 C ATOM 599 CD1 LEU A 43 -0.087 3.434 0.668 1.00 0.00 C ATOM 600 CD2 LEU A 43 0.210 4.697 -1.435 1.00 0.00 C ATOM 0 H LEU A 43 -2.970 7.165 1.725 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.898 5.062 2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.908 5.418 -0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.790 6.768 -0.018 1.00 0.00 H new ATOM 0 HG LEU A 43 1.093 5.233 0.502 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.746 2.779 0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.180 3.501 1.752 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.008 3.028 0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.021 4.025 -1.716 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.737 4.291 -1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.377 5.676 -1.885 1.00 0.00 H new ATOM 612 N TYR A 44 -0.042 6.865 3.805 1.00 0.00 N ATOM 613 CA TYR A 44 0.760 7.847 4.594 1.00 0.00 C ATOM 614 C TYR A 44 2.259 7.814 4.293 1.00 0.00 C ATOM 615 O TYR A 44 2.855 6.772 4.091 1.00 0.00 O ATOM 616 CB TYR A 44 0.552 7.569 6.087 1.00 0.00 C ATOM 617 CG TYR A 44 -0.886 7.918 6.499 1.00 0.00 C ATOM 618 CD1 TYR A 44 -1.919 7.026 6.287 1.00 0.00 C ATOM 619 CD2 TYR A 44 -1.169 9.135 7.090 1.00 0.00 C ATOM 620 CE1 TYR A 44 -3.204 7.351 6.662 1.00 0.00 C ATOM 621 CE2 TYR A 44 -2.456 9.454 7.463 1.00 0.00 C ATOM 622 CZ TYR A 44 -3.482 8.563 7.251 1.00 0.00 C ATOM 623 OH TYR A 44 -4.773 8.879 7.622 1.00 0.00 O ATOM 0 H TYR A 44 -0.285 6.016 4.315 1.00 0.00 H new ATOM 0 HA TYR A 44 0.406 8.837 4.308 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.754 6.519 6.300 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.258 8.155 6.675 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.719 6.070 5.826 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.372 9.844 7.261 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.004 6.645 6.491 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.661 10.409 7.924 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.788 9.773 8.024 1.00 0.00 H new ATOM 633 N ASN A 45 2.810 9.001 4.279 1.00 0.00 N ATOM 634 CA ASN A 45 4.265 9.173 4.008 1.00 0.00 C ATOM 635 C ASN A 45 4.954 9.450 5.363 1.00 0.00 C ATOM 636 O ASN A 45 6.021 10.028 5.423 1.00 0.00 O ATOM 637 CB ASN A 45 4.434 10.353 3.031 1.00 0.00 C ATOM 638 CG ASN A 45 5.873 10.370 2.516 1.00 0.00 C ATOM 639 OD1 ASN A 45 6.680 11.204 2.876 1.00 0.00 O ATOM 640 ND2 ASN A 45 6.221 9.449 1.665 1.00 0.00 N ATOM 0 H ASN A 45 2.303 9.870 4.447 1.00 0.00 H new ATOM 0 HA ASN A 45 4.714 8.289 3.555 1.00 0.00 H new ATOM 0 HB2 ASN A 45 3.737 10.255 2.198 1.00 0.00 H new ATOM 0 HB3 ASN A 45 4.202 11.293 3.532 1.00 0.00 H new ATOM 0 HD21 ASN A 45 7.173 9.426 1.299 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.542 8.750 1.364 1.00 0.00 H new ATOM 647 N GLN A 46 4.297 9.019 6.416 1.00 0.00 N ATOM 648 CA GLN A 46 4.811 9.197 7.807 1.00 0.00 C ATOM 649 C GLN A 46 4.715 7.860 8.551 1.00 0.00 C ATOM 650 O GLN A 46 3.761 7.122 8.385 1.00 0.00 O ATOM 651 CB GLN A 46 3.968 10.259 8.545 1.00 0.00 C ATOM 652 CG GLN A 46 3.843 11.537 7.673 1.00 0.00 C ATOM 653 CD GLN A 46 2.809 11.379 6.537 1.00 0.00 C ATOM 654 OE1 GLN A 46 1.821 10.537 6.663 1.00 0.00 O flip ATOM 655 NE2 GLN A 46 2.893 12.029 5.514 1.00 0.00 N flip ATOM 0 H GLN A 46 3.399 8.537 6.363 1.00 0.00 H new ATOM 0 HA GLN A 46 5.849 9.527 7.772 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.978 9.861 8.765 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.432 10.504 9.500 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.558 12.378 8.305 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.816 11.777 7.244 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.657 12.694 5.393 1.00 0.00 H new ATOM 0 HE22 GLN A 46 2.199 11.910 4.776 1.00 0.00 H new ATOM 664 N ALA A 47 5.719 7.604 9.351 1.00 0.00 N ATOM 665 CA ALA A 47 5.793 6.342 10.155 1.00 0.00 C ATOM 666 C ALA A 47 4.535 6.089 10.995 1.00 0.00 C ATOM 667 O ALA A 47 4.048 6.976 11.669 1.00 0.00 O ATOM 668 CB ALA A 47 7.012 6.424 11.077 1.00 0.00 C ATOM 0 H ALA A 47 6.511 8.232 9.485 1.00 0.00 H new ATOM 0 HA ALA A 47 5.876 5.509 9.456 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.081 5.512 11.670 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.915 6.536 10.477 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.909 7.282 11.741 1.00 0.00 H new ATOM 674 N GLY A 48 4.051 4.875 10.923 1.00 0.00 N ATOM 675 CA GLY A 48 2.829 4.482 11.689 1.00 0.00 C ATOM 676 C GLY A 48 1.604 5.318 11.294 1.00 0.00 C ATOM 677 O GLY A 48 0.721 5.532 12.102 1.00 0.00 O ATOM 0 H GLY A 48 4.457 4.129 10.358 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.618 3.427 11.516 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.018 4.599 12.756 1.00 0.00 H new ATOM 681 N CYS A 49 1.601 5.761 10.060 1.00 0.00 N ATOM 682 CA CYS A 49 0.481 6.592 9.507 1.00 0.00 C ATOM 683 C CYS A 49 0.194 7.841 10.367 1.00 0.00 C ATOM 684 O CYS A 49 -0.921 8.325 10.413 1.00 0.00 O ATOM 685 CB CYS A 49 -0.774 5.691 9.412 1.00 0.00 C ATOM 686 SG CYS A 49 -0.594 4.164 8.457 1.00 0.00 S ATOM 0 H CYS A 49 2.350 5.576 9.393 1.00 0.00 H new ATOM 0 HA CYS A 49 0.766 6.964 8.523 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -1.083 5.428 10.423 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.583 6.276 8.973 1.00 0.00 H new ATOM 691 N SER A 50 1.225 8.324 11.018 1.00 0.00 N ATOM 692 CA SER A 50 1.097 9.532 11.895 1.00 0.00 C ATOM 693 C SER A 50 1.255 10.858 11.121 1.00 0.00 C ATOM 694 O SER A 50 2.042 11.712 11.488 1.00 0.00 O ATOM 695 CB SER A 50 2.163 9.408 13.012 1.00 0.00 C ATOM 696 OG SER A 50 3.410 9.433 12.333 1.00 0.00 O ATOM 0 H SER A 50 2.164 7.927 10.978 1.00 0.00 H new ATOM 0 HA SER A 50 0.092 9.563 12.315 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.085 10.229 13.725 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.039 8.483 13.576 1.00 0.00 H new ATOM 0 HG SER A 50 3.763 8.521 12.263 1.00 0.00 H new ATOM 702 N GLY A 51 0.496 10.993 10.064 1.00 0.00 N ATOM 703 CA GLY A 51 0.565 12.238 9.242 1.00 0.00 C ATOM 704 C GLY A 51 -0.688 12.393 8.384 1.00 0.00 C ATOM 705 O GLY A 51 -1.789 12.441 8.899 1.00 0.00 O ATOM 0 H GLY A 51 -0.169 10.294 9.734 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.673 13.104 9.895 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.447 12.208 8.603 1.00 0.00 H new ATOM 709 N VAL A 52 -0.465 12.469 7.096 1.00 0.00 N ATOM 710 CA VAL A 52 -1.579 12.623 6.109 1.00 0.00 C ATOM 711 C VAL A 52 -1.307 11.691 4.917 1.00 0.00 C ATOM 712 O VAL A 52 -0.169 11.411 4.592 1.00 0.00 O ATOM 713 CB VAL A 52 -1.642 14.110 5.645 1.00 0.00 C ATOM 714 CG1 VAL A 52 -2.805 14.314 4.645 1.00 0.00 C ATOM 715 CG2 VAL A 52 -1.880 15.030 6.868 1.00 0.00 C ATOM 0 H VAL A 52 0.464 12.430 6.677 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.536 12.357 6.558 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.697 14.359 5.163 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.836 15.357 4.330 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.652 13.677 3.774 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.748 14.052 5.125 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.923 16.068 6.539 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.821 14.762 7.347 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.063 14.908 7.579 1.00 0.00 H new ATOM 725 N ALA A 53 -2.375 11.242 4.306 1.00 0.00 N ATOM 726 CA ALA A 53 -2.268 10.324 3.128 1.00 0.00 C ATOM 727 C ALA A 53 -1.639 11.015 1.912 1.00 0.00 C ATOM 728 O ALA A 53 -1.307 12.185 1.950 1.00 0.00 O ATOM 729 CB ALA A 53 -3.663 9.828 2.738 1.00 0.00 C ATOM 0 H ALA A 53 -3.330 11.476 4.577 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.625 9.494 3.421 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.585 9.160 1.880 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.106 9.291 3.577 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.292 10.679 2.479 1.00 0.00 H new ATOM 735 N HIS A 54 -1.508 10.238 0.868 1.00 0.00 N ATOM 736 CA HIS A 54 -0.919 10.731 -0.408 1.00 0.00 C ATOM 737 C HIS A 54 -1.727 10.154 -1.586 1.00 0.00 C ATOM 738 O HIS A 54 -2.426 10.883 -2.263 1.00 0.00 O ATOM 739 CB HIS A 54 0.536 10.269 -0.459 1.00 0.00 C ATOM 740 CG HIS A 54 1.202 10.787 -1.737 1.00 0.00 C ATOM 741 ND1 HIS A 54 0.797 10.524 -2.932 1.00 0.00 N ATOM 742 CD2 HIS A 54 2.311 11.593 -1.925 1.00 0.00 C ATOM 743 CE1 HIS A 54 1.566 11.101 -3.797 1.00 0.00 C ATOM 744 NE2 HIS A 54 2.524 11.779 -3.214 1.00 0.00 N ATOM 0 H HIS A 54 -1.793 9.259 0.849 1.00 0.00 H new ATOM 0 HA HIS A 54 -0.954 11.819 -0.471 1.00 0.00 H new ATOM 0 HB2 HIS A 54 1.074 10.635 0.416 1.00 0.00 H new ATOM 0 HB3 HIS A 54 0.582 9.180 -0.430 1.00 0.00 H new ATOM 0 HD2 HIS A 54 2.915 12.009 -1.132 1.00 0.00 H new ATOM 0 HE1 HIS A 54 1.435 11.033 -4.867 1.00 0.00 H new ATOM 0 HE2 HIS A 54 3.264 12.325 -3.655 1.00 0.00 H new ATOM 752 N THR A 55 -1.600 8.862 -1.785 1.00 0.00 N ATOM 753 CA THR A 55 -2.326 8.166 -2.894 1.00 0.00 C ATOM 754 C THR A 55 -3.269 7.127 -2.290 1.00 0.00 C ATOM 755 O THR A 55 -2.955 5.955 -2.196 1.00 0.00 O ATOM 756 CB THR A 55 -1.310 7.465 -3.844 1.00 0.00 C ATOM 757 OG1 THR A 55 -0.547 8.518 -4.411 1.00 0.00 O ATOM 758 CG2 THR A 55 -2.018 6.825 -5.062 1.00 0.00 C ATOM 0 H THR A 55 -1.014 8.252 -1.215 1.00 0.00 H new ATOM 0 HA THR A 55 -2.896 8.895 -3.471 1.00 0.00 H new ATOM 0 HB THR A 55 -0.756 6.711 -3.285 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.093 9.014 -3.698 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.278 6.345 -5.702 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.735 6.081 -4.716 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.540 7.597 -5.627 1.00 0.00 H new ATOM 766 N ARG A 56 -4.416 7.613 -1.893 1.00 0.00 N ATOM 767 CA ARG A 56 -5.445 6.721 -1.285 1.00 0.00 C ATOM 768 C ARG A 56 -6.012 5.821 -2.374 1.00 0.00 C ATOM 769 O ARG A 56 -5.876 6.090 -3.553 1.00 0.00 O ATOM 770 CB ARG A 56 -6.521 7.635 -0.636 1.00 0.00 C ATOM 771 CG ARG A 56 -7.838 6.923 -0.198 1.00 0.00 C ATOM 772 CD ARG A 56 -8.839 6.765 -1.372 1.00 0.00 C ATOM 773 NE ARG A 56 -9.158 8.123 -1.913 1.00 0.00 N ATOM 774 CZ ARG A 56 -9.629 8.287 -3.124 1.00 0.00 C ATOM 775 NH1 ARG A 56 -9.841 7.260 -3.906 1.00 0.00 N ATOM 776 NH2 ARG A 56 -9.881 9.503 -3.521 1.00 0.00 N ATOM 0 H ARG A 56 -4.685 8.594 -1.965 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.035 6.070 -0.513 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.083 8.117 0.238 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.774 8.425 -1.343 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.599 5.940 0.208 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.308 7.493 0.603 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.410 6.138 -2.153 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.748 6.271 -1.030 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.005 8.942 -1.324 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.639 6.317 -3.575 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.208 7.403 -4.847 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.710 10.290 -2.895 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.249 9.668 -4.458 1.00 0.00 H new ATOM 790 N PHE A 57 -6.634 4.772 -1.916 1.00 0.00 N ATOM 791 CA PHE A 57 -7.250 3.776 -2.844 1.00 0.00 C ATOM 792 C PHE A 57 -8.690 3.468 -2.419 1.00 0.00 C ATOM 793 O PHE A 57 -8.964 3.275 -1.251 1.00 0.00 O ATOM 794 CB PHE A 57 -6.439 2.479 -2.825 1.00 0.00 C ATOM 795 CG PHE A 57 -4.958 2.721 -3.148 1.00 0.00 C ATOM 796 CD1 PHE A 57 -4.567 3.198 -4.388 1.00 0.00 C ATOM 797 CD2 PHE A 57 -3.992 2.457 -2.195 1.00 0.00 C ATOM 798 CE1 PHE A 57 -3.231 3.405 -4.666 1.00 0.00 C ATOM 799 CE2 PHE A 57 -2.659 2.665 -2.473 1.00 0.00 C ATOM 800 CZ PHE A 57 -2.277 3.140 -3.709 1.00 0.00 C ATOM 0 H PHE A 57 -6.745 4.557 -0.925 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.253 4.198 -3.849 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -6.524 2.013 -1.844 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.858 1.779 -3.548 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.311 3.409 -5.141 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.285 2.085 -1.224 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.933 3.775 -5.636 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.912 2.456 -1.721 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.232 3.304 -3.927 1.00 0.00 H new ATOM 810 N GLY A 58 -9.556 3.433 -3.398 1.00 0.00 N ATOM 811 CA GLY A 58 -11.006 3.143 -3.167 1.00 0.00 C ATOM 812 C GLY A 58 -11.499 2.076 -4.155 1.00 0.00 C ATOM 813 O GLY A 58 -12.642 1.664 -4.101 1.00 0.00 O ATOM 0 H GLY A 58 -9.313 3.598 -4.375 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.157 2.799 -2.144 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.590 4.056 -3.285 1.00 0.00 H new ATOM 817 N SER A 59 -10.609 1.666 -5.026 1.00 0.00 N ATOM 818 CA SER A 59 -10.917 0.631 -6.061 1.00 0.00 C ATOM 819 C SER A 59 -9.614 -0.096 -6.420 1.00 0.00 C ATOM 820 O SER A 59 -8.598 0.555 -6.572 1.00 0.00 O ATOM 821 CB SER A 59 -11.491 1.307 -7.321 1.00 0.00 C ATOM 822 OG SER A 59 -12.697 1.916 -6.883 1.00 0.00 O ATOM 0 H SER A 59 -9.652 2.018 -5.062 1.00 0.00 H new ATOM 0 HA SER A 59 -11.651 -0.076 -5.674 1.00 0.00 H new ATOM 0 HB2 SER A 59 -10.798 2.045 -7.725 1.00 0.00 H new ATOM 0 HB3 SER A 59 -11.678 0.579 -8.111 1.00 0.00 H new ATOM 0 HG SER A 59 -13.125 2.373 -7.637 1.00 0.00 H new ATOM 828 N SER A 60 -9.677 -1.406 -6.537 1.00 0.00 N ATOM 829 CA SER A 60 -8.483 -2.242 -6.889 1.00 0.00 C ATOM 830 C SER A 60 -7.594 -1.532 -7.931 1.00 0.00 C ATOM 831 O SER A 60 -7.996 -1.356 -9.065 1.00 0.00 O ATOM 832 CB SER A 60 -8.976 -3.596 -7.453 1.00 0.00 C ATOM 833 OG SER A 60 -9.868 -4.124 -6.478 1.00 0.00 O ATOM 0 H SER A 60 -10.533 -1.943 -6.398 1.00 0.00 H new ATOM 0 HA SER A 60 -7.883 -2.401 -5.993 1.00 0.00 H new ATOM 0 HB2 SER A 60 -9.480 -3.460 -8.410 1.00 0.00 H new ATOM 0 HB3 SER A 60 -8.141 -4.274 -7.626 1.00 0.00 H new ATOM 0 HG SER A 60 -10.215 -4.987 -6.786 1.00 0.00 H new ATOM 839 N ALA A 61 -6.417 -1.150 -7.497 1.00 0.00 N ATOM 840 CA ALA A 61 -5.447 -0.439 -8.399 1.00 0.00 C ATOM 841 C ALA A 61 -4.093 -1.157 -8.518 1.00 0.00 C ATOM 842 O ALA A 61 -3.305 -1.133 -7.595 1.00 0.00 O ATOM 843 CB ALA A 61 -5.243 0.981 -7.849 1.00 0.00 C ATOM 0 H ALA A 61 -6.080 -1.301 -6.546 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.868 -0.421 -9.404 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.542 1.521 -8.486 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.198 1.506 -7.834 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.844 0.925 -6.836 1.00 0.00 H new ATOM 849 N ARG A 62 -3.869 -1.766 -9.657 1.00 0.00 N ATOM 850 CA ARG A 62 -2.602 -2.511 -9.938 1.00 0.00 C ATOM 851 C ARG A 62 -1.423 -1.609 -10.358 1.00 0.00 C ATOM 852 O ARG A 62 -1.073 -1.564 -11.523 1.00 0.00 O ATOM 853 CB ARG A 62 -2.911 -3.542 -11.050 1.00 0.00 C ATOM 854 CG ARG A 62 -3.897 -4.626 -10.556 1.00 0.00 C ATOM 855 CD ARG A 62 -4.229 -5.591 -11.710 1.00 0.00 C ATOM 856 NE ARG A 62 -4.905 -4.823 -12.805 1.00 0.00 N ATOM 857 CZ ARG A 62 -5.057 -5.326 -14.005 1.00 0.00 C ATOM 858 NH1 ARG A 62 -4.617 -6.525 -14.286 1.00 0.00 N ATOM 859 NH2 ARG A 62 -5.657 -4.597 -14.905 1.00 0.00 N ATOM 0 H ARG A 62 -4.536 -1.777 -10.429 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.277 -2.990 -9.014 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.333 -3.031 -11.915 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.985 -4.013 -11.379 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.460 -5.177 -9.723 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.810 -4.159 -10.185 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.318 -6.059 -12.084 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.877 -6.393 -11.356 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.256 -3.885 -12.611 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.150 -7.078 -13.567 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.741 -6.907 -15.224 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.992 -3.664 -14.665 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.791 -4.960 -15.849 1.00 0.00 H new ATOM 873 N ALA A 63 -0.838 -0.911 -9.410 1.00 0.00 N ATOM 874 CA ALA A 63 0.318 -0.020 -9.758 1.00 0.00 C ATOM 875 C ALA A 63 1.636 -0.809 -9.619 1.00 0.00 C ATOM 876 O ALA A 63 1.652 -1.874 -9.030 1.00 0.00 O ATOM 877 CB ALA A 63 0.325 1.204 -8.816 1.00 0.00 C ATOM 0 H ALA A 63 -1.106 -0.919 -8.426 1.00 0.00 H new ATOM 0 HA ALA A 63 0.220 0.326 -10.787 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.164 1.852 -9.068 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.607 1.757 -8.931 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.423 0.868 -7.784 1.00 0.00 H new ATOM 883 N CYS A 64 2.705 -0.280 -10.164 1.00 0.00 N ATOM 884 CA CYS A 64 4.028 -0.986 -10.073 1.00 0.00 C ATOM 885 C CYS A 64 5.191 0.018 -10.066 1.00 0.00 C ATOM 886 O CYS A 64 6.344 -0.366 -10.082 1.00 0.00 O ATOM 887 CB CYS A 64 4.157 -1.957 -11.275 1.00 0.00 C ATOM 888 SG CYS A 64 2.734 -3.053 -11.521 1.00 0.00 S ATOM 0 H CYS A 64 2.722 0.607 -10.667 1.00 0.00 H new ATOM 0 HA CYS A 64 4.074 -1.545 -9.138 1.00 0.00 H new ATOM 0 HB2 CYS A 64 4.309 -1.372 -12.182 1.00 0.00 H new ATOM 0 HB3 CYS A 64 5.049 -2.568 -11.137 1.00 0.00 H new ATOM 893 N ASN A 65 4.862 1.284 -10.037 1.00 0.00 N ATOM 894 CA ASN A 65 5.902 2.352 -10.028 1.00 0.00 C ATOM 895 C ASN A 65 6.667 2.353 -8.684 1.00 0.00 C ATOM 896 O ASN A 65 6.112 1.949 -7.680 1.00 0.00 O ATOM 897 CB ASN A 65 5.196 3.692 -10.246 1.00 0.00 C ATOM 898 CG ASN A 65 4.483 3.674 -11.602 1.00 0.00 C ATOM 899 OD1 ASN A 65 3.379 3.182 -11.732 1.00 0.00 O ATOM 900 ND2 ASN A 65 5.081 4.201 -12.634 1.00 0.00 N ATOM 0 H ASN A 65 3.901 1.626 -10.019 1.00 0.00 H new ATOM 0 HA ASN A 65 6.631 2.176 -10.819 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.477 3.872 -9.447 1.00 0.00 H new ATOM 0 HB3 ASN A 65 5.919 4.507 -10.213 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.622 4.199 -13.545 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.007 4.615 -12.530 1.00 0.00 H new ATOM 907 N PRO A 66 7.908 2.797 -8.687 1.00 0.00 N ATOM 908 CA PRO A 66 8.701 2.991 -7.435 1.00 0.00 C ATOM 909 C PRO A 66 8.036 4.052 -6.545 1.00 0.00 C ATOM 910 O PRO A 66 7.390 4.953 -7.044 1.00 0.00 O ATOM 911 CB PRO A 66 10.102 3.409 -7.883 1.00 0.00 C ATOM 912 CG PRO A 66 10.045 3.644 -9.403 1.00 0.00 C ATOM 913 CD PRO A 66 8.680 3.159 -9.914 1.00 0.00 C ATOM 0 HA PRO A 66 8.752 2.083 -6.835 1.00 0.00 H new ATOM 0 HB2 PRO A 66 10.417 4.315 -7.366 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.830 2.635 -7.641 1.00 0.00 H new ATOM 0 HG2 PRO A 66 10.181 4.701 -9.629 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.851 3.105 -9.901 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.173 3.939 -10.483 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.790 2.301 -10.577 1.00 0.00 H new ATOM 921 N PHE A 67 8.216 3.907 -5.255 1.00 0.00 N ATOM 922 CA PHE A 67 7.615 4.883 -4.292 1.00 0.00 C ATOM 923 C PHE A 67 8.419 4.926 -2.982 1.00 0.00 C ATOM 924 O PHE A 67 9.472 4.326 -2.881 1.00 0.00 O ATOM 925 CB PHE A 67 6.153 4.463 -4.008 1.00 0.00 C ATOM 926 CG PHE A 67 6.104 3.148 -3.215 1.00 0.00 C ATOM 927 CD1 PHE A 67 6.223 1.901 -3.799 1.00 0.00 C ATOM 928 CD2 PHE A 67 5.931 3.230 -1.857 1.00 0.00 C ATOM 929 CE1 PHE A 67 6.167 0.768 -3.013 1.00 0.00 C ATOM 930 CE2 PHE A 67 5.875 2.112 -1.069 1.00 0.00 C ATOM 931 CZ PHE A 67 5.992 0.878 -1.646 1.00 0.00 C ATOM 0 H PHE A 67 8.754 3.154 -4.826 1.00 0.00 H new ATOM 0 HA PHE A 67 7.638 5.881 -4.729 1.00 0.00 H new ATOM 0 HB2 PHE A 67 5.647 5.249 -3.448 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.615 4.345 -4.949 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.359 1.814 -4.867 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.836 4.203 -1.397 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.260 -0.207 -3.467 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.740 2.204 -0.001 1.00 0.00 H new ATOM 0 HZ PHE A 67 5.948 -0.011 -1.034 1.00 0.00 H new ATOM 941 N GLY A 68 7.887 5.639 -2.018 1.00 0.00 N ATOM 942 CA GLY A 68 8.570 5.759 -0.696 1.00 0.00 C ATOM 943 C GLY A 68 7.610 6.172 0.427 1.00 0.00 C ATOM 944 O GLY A 68 7.855 7.150 1.109 1.00 0.00 O ATOM 0 H GLY A 68 7.004 6.145 -2.093 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.032 4.805 -0.442 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.373 6.492 -0.771 1.00 0.00 H new ATOM 948 N TRP A 69 6.546 5.421 0.590 1.00 0.00 N ATOM 949 CA TRP A 69 5.552 5.740 1.664 1.00 0.00 C ATOM 950 C TRP A 69 6.023 5.021 2.924 1.00 0.00 C ATOM 951 O TRP A 69 6.649 3.979 2.855 1.00 0.00 O ATOM 952 CB TRP A 69 4.139 5.249 1.253 1.00 0.00 C ATOM 953 CG TRP A 69 3.498 6.286 0.311 1.00 0.00 C ATOM 954 CD1 TRP A 69 3.147 7.564 0.663 1.00 0.00 C ATOM 955 CD2 TRP A 69 3.193 6.108 -1.008 1.00 0.00 C ATOM 956 NE1 TRP A 69 2.663 8.078 -0.436 1.00 0.00 N ATOM 957 CE2 TRP A 69 2.646 7.295 -1.490 1.00 0.00 C ATOM 958 CE3 TRP A 69 3.325 5.022 -1.867 1.00 0.00 C ATOM 959 CZ2 TRP A 69 2.244 7.399 -2.818 1.00 0.00 C ATOM 960 CZ3 TRP A 69 2.924 5.122 -3.197 1.00 0.00 C ATOM 961 CH2 TRP A 69 2.383 6.312 -3.673 1.00 0.00 C ATOM 0 H TRP A 69 6.323 4.601 0.026 1.00 0.00 H new ATOM 0 HA TRP A 69 5.486 6.815 1.831 1.00 0.00 H new ATOM 0 HB2 TRP A 69 4.207 4.281 0.756 1.00 0.00 H new ATOM 0 HB3 TRP A 69 3.517 5.110 2.138 1.00 0.00 H new ATOM 0 HD1 TRP A 69 3.248 8.037 1.628 1.00 0.00 H new ATOM 0 HE1 TRP A 69 2.317 9.037 -0.473 1.00 0.00 H new ATOM 0 HE3 TRP A 69 3.741 4.095 -1.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 1.824 8.324 -3.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 3.033 4.276 -3.859 1.00 0.00 H new ATOM 0 HH2 TRP A 69 2.072 6.391 -4.704 1.00 0.00 H new ATOM 972 N LYS A 70 5.699 5.607 4.042 1.00 0.00 N ATOM 973 CA LYS A 70 6.097 5.033 5.354 1.00 0.00 C ATOM 974 C LYS A 70 5.088 4.000 5.841 1.00 0.00 C ATOM 975 O LYS A 70 5.436 3.154 6.640 1.00 0.00 O ATOM 976 CB LYS A 70 6.216 6.194 6.343 1.00 0.00 C ATOM 977 CG LYS A 70 7.510 7.039 6.132 1.00 0.00 C ATOM 978 CD LYS A 70 7.673 7.536 4.670 1.00 0.00 C ATOM 979 CE LYS A 70 8.811 8.563 4.597 1.00 0.00 C ATOM 980 NZ LYS A 70 8.960 9.052 3.198 1.00 0.00 N ATOM 0 H LYS A 70 5.166 6.475 4.101 1.00 0.00 H new ATOM 0 HA LYS A 70 7.049 4.511 5.261 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.345 6.841 6.243 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.206 5.801 7.360 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.491 7.898 6.803 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.378 6.440 6.406 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.887 6.694 4.011 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.742 7.985 4.322 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.602 9.399 5.264 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.743 8.111 4.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.965 9.229 2.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.596 8.334 2.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.423 9.935 3.080 1.00 0.00 H new ATOM 994 N SER A 71 3.879 4.103 5.344 1.00 0.00 N ATOM 995 CA SER A 71 2.798 3.151 5.740 1.00 0.00 C ATOM 996 C SER A 71 1.491 3.372 4.973 1.00 0.00 C ATOM 997 O SER A 71 1.295 4.363 4.294 1.00 0.00 O ATOM 998 CB SER A 71 2.518 3.282 7.263 1.00 0.00 C ATOM 999 OG SER A 71 2.290 4.668 7.473 1.00 0.00 O ATOM 0 H SER A 71 3.594 4.816 4.673 1.00 0.00 H new ATOM 0 HA SER A 71 3.156 2.152 5.493 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.652 2.690 7.558 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.363 2.927 7.852 1.00 0.00 H new ATOM 0 HG SER A 71 1.342 4.817 7.670 1.00 0.00 H new ATOM 1005 N ILE A 72 0.645 2.389 5.137 1.00 0.00 N ATOM 1006 CA ILE A 72 -0.703 2.348 4.503 1.00 0.00 C ATOM 1007 C ILE A 72 -1.722 2.011 5.591 1.00 0.00 C ATOM 1008 O ILE A 72 -1.543 1.069 6.339 1.00 0.00 O ATOM 1009 CB ILE A 72 -0.706 1.265 3.376 1.00 0.00 C ATOM 1010 CG1 ILE A 72 -2.161 1.071 2.841 1.00 0.00 C ATOM 1011 CG2 ILE A 72 -0.161 -0.089 3.905 1.00 0.00 C ATOM 1012 CD1 ILE A 72 -2.127 0.358 1.512 1.00 0.00 C ATOM 0 H ILE A 72 0.848 1.573 5.715 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.958 3.307 4.052 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.057 1.605 2.569 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.748 0.496 3.557 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.650 2.039 2.732 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.174 -0.825 3.101 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.861 0.044 4.259 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.787 -0.437 4.726 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.144 0.226 1.144 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.556 0.950 0.796 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.656 -0.617 1.634 1.00 0.00 H new ATOM 1024 N PHE A 73 -2.760 2.804 5.635 1.00 0.00 N ATOM 1025 CA PHE A 73 -3.837 2.598 6.645 1.00 0.00 C ATOM 1026 C PHE A 73 -5.059 1.941 5.996 1.00 0.00 C ATOM 1027 O PHE A 73 -5.923 2.600 5.450 1.00 0.00 O ATOM 1028 CB PHE A 73 -4.186 3.973 7.246 1.00 0.00 C ATOM 1029 CG PHE A 73 -5.382 3.854 8.204 1.00 0.00 C ATOM 1030 CD1 PHE A 73 -5.329 3.019 9.308 1.00 0.00 C ATOM 1031 CD2 PHE A 73 -6.532 4.583 7.967 1.00 0.00 C ATOM 1032 CE1 PHE A 73 -6.410 2.916 10.159 1.00 0.00 C ATOM 1033 CE2 PHE A 73 -7.611 4.481 8.818 1.00 0.00 C ATOM 1034 CZ PHE A 73 -7.552 3.648 9.914 1.00 0.00 C ATOM 0 H PHE A 73 -2.908 3.594 5.007 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.501 1.928 7.437 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -3.324 4.373 7.779 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.421 4.677 6.447 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.436 2.445 9.504 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -6.585 5.237 7.109 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -6.361 2.262 11.017 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -8.505 5.055 8.625 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.399 3.569 10.580 1.00 0.00 H new ATOM 1044 N ILE A 74 -5.066 0.637 6.088 1.00 0.00 N ATOM 1045 CA ILE A 74 -6.177 -0.174 5.516 1.00 0.00 C ATOM 1046 C ILE A 74 -7.412 0.025 6.405 1.00 0.00 C ATOM 1047 O ILE A 74 -7.414 -0.388 7.549 1.00 0.00 O ATOM 1048 CB ILE A 74 -5.784 -1.677 5.505 1.00 0.00 C ATOM 1049 CG1 ILE A 74 -4.445 -1.936 4.748 1.00 0.00 C ATOM 1050 CG2 ILE A 74 -6.928 -2.519 4.889 1.00 0.00 C ATOM 1051 CD1 ILE A 74 -4.520 -1.510 3.270 1.00 0.00 C ATOM 0 H ILE A 74 -4.334 0.092 6.544 1.00 0.00 H new ATOM 0 HA ILE A 74 -6.385 0.140 4.493 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.626 -1.981 6.540 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.640 -1.391 5.241 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.196 -2.995 4.807 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.644 -3.571 4.885 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.834 -2.390 5.481 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -7.112 -2.189 3.867 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -3.565 -1.710 2.785 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.307 -2.074 2.768 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.742 -0.445 3.209 1.00 0.00 H new ATOM 1063 N GLN A 75 -8.421 0.653 5.857 1.00 0.00 N ATOM 1064 CA GLN A 75 -9.666 0.887 6.642 1.00 0.00 C ATOM 1065 C GLN A 75 -10.295 -0.469 6.969 1.00 0.00 C ATOM 1066 O GLN A 75 -10.810 -1.138 6.099 1.00 0.00 O ATOM 1067 CB GLN A 75 -10.607 1.753 5.799 1.00 0.00 C ATOM 1068 CG GLN A 75 -10.191 3.221 5.960 1.00 0.00 C ATOM 1069 CD GLN A 75 -10.869 3.810 7.211 1.00 0.00 C ATOM 1070 OE1 GLN A 75 -10.429 3.498 8.400 1.00 0.00 O flip ATOM 1071 NE2 GLN A 75 -11.815 4.565 7.113 1.00 0.00 N flip ATOM 0 H GLN A 75 -8.435 1.012 4.902 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.460 1.405 7.578 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -10.557 1.458 4.751 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -11.639 1.614 6.120 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -9.107 3.296 6.051 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.477 3.791 5.076 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -12.171 4.819 6.192 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.253 4.945 7.952 1.00 0.00 H new ATOM 1080 N CYS A 76 -10.223 -0.842 8.222 1.00 0.00 N ATOM 1081 CA CYS A 76 -10.800 -2.143 8.667 1.00 0.00 C ATOM 1082 C CYS A 76 -12.279 -2.265 8.229 1.00 0.00 C ATOM 1083 O CYS A 76 -13.000 -1.307 8.462 1.00 0.00 O ATOM 1084 CB CYS A 76 -10.689 -2.218 10.191 1.00 0.00 C ATOM 1085 SG CYS A 76 -10.686 -3.878 10.905 1.00 0.00 S ATOM 1086 OXT CYS A 76 -12.601 -3.307 7.683 1.00 0.00 O ATOM 0 H CYS A 76 -9.784 -0.294 8.962 1.00 0.00 H new ATOM 0 HA CYS A 76 -10.251 -2.966 8.209 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -9.772 -1.712 10.494 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -11.519 -1.660 10.624 1.00 0.00 H new