USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 610 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 84 HIS : no HD1:sc=-4.19e-05 X(o=-0.66,f=-0.66) USER MOD Set 1.2: A 88 THR OG1 : rot -161:sc= -0.655 USER MOD Set 2.1: A 53 SER OG : rot 180:sc= 0.66 USER MOD Set 2.2: A 92 LYS NZ :NH3+ -136:sc= 0.879 (180deg=0.361) USER MOD Set 3.1: A 30 THR OG1 : rot -170:sc= -0.66 USER MOD Set 3.2: A 33 GLN : amide:sc= 0.571 K(o=-0.089,f=-3.4!) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 41 LYS NZ :NH3+ 169:sc= 0.748 (180deg=0.605) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 163:sc= 0.276 (180deg=0.0834) USER MOD Single : A 49 GLN : amide:sc= -0.243 X(o=-0.24,f=-0.19) USER MOD Single : A 51 HIS : no HD1:sc= -0.517 K(o=-0.52,f=-1.7) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 0.189 K(o=0.19,f=-0.7) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 67 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0635) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.933 K(o=-0.93,f=-5.4!) USER MOD Single : A 75 LYS NZ :NH3+ 146:sc= 0.189 (180deg=-0.221) USER MOD Single : A 77 HIS : no HD1:sc= -1.18! C(o=-1.2!,f=-3.2!) USER MOD Single : A 80 THR OG1 : rot 97:sc= 0.564 USER MOD Single : A 82 TYR OH : rot 39:sc= -0.239 USER MOD Single : A 83 ASN : amide:sc= 0.59 K(o=0.59,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 20 -10.074 -9.040 17.147 1.00 0.00 N ATOM 2 CA MET A 20 -9.201 -9.419 16.013 1.00 0.00 C ATOM 3 C MET A 20 -8.250 -8.261 15.660 1.00 0.00 C ATOM 4 O MET A 20 -8.698 -7.194 15.226 1.00 0.00 O ATOM 5 CB MET A 20 -10.064 -9.824 14.789 1.00 0.00 C ATOM 6 CG MET A 20 -9.266 -10.238 13.545 1.00 0.00 C ATOM 7 SD MET A 20 -8.166 -11.633 13.858 1.00 0.00 S ATOM 8 CE MET A 20 -7.472 -11.913 12.230 1.00 0.00 C ATOM 0 HA MET A 20 -8.594 -10.277 16.303 1.00 0.00 H new ATOM 0 HB2 MET A 20 -10.713 -10.650 15.078 1.00 0.00 H new ATOM 0 HB3 MET A 20 -10.711 -8.987 14.526 1.00 0.00 H new ATOM 0 HG2 MET A 20 -9.958 -10.499 12.744 1.00 0.00 H new ATOM 0 HG3 MET A 20 -8.679 -9.389 13.195 1.00 0.00 H new ATOM 0 HE1 MET A 20 -6.773 -12.748 12.271 1.00 0.00 H new ATOM 0 HE2 MET A 20 -8.273 -12.145 11.528 1.00 0.00 H new ATOM 0 HE3 MET A 20 -6.948 -11.017 11.899 1.00 0.00 H new ATOM 18 N ALA A 21 -6.938 -8.471 15.871 1.00 0.00 N ATOM 19 CA ALA A 21 -5.895 -7.519 15.463 1.00 0.00 C ATOM 20 C ALA A 21 -5.715 -7.574 13.940 1.00 0.00 C ATOM 21 O ALA A 21 -4.971 -8.417 13.428 1.00 0.00 O ATOM 22 CB ALA A 21 -4.571 -7.810 16.205 1.00 0.00 C ATOM 0 H ALA A 21 -6.574 -9.306 16.329 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.201 -6.509 15.735 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.812 -7.094 15.889 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.729 -7.720 17.280 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.237 -8.821 15.970 1.00 0.00 H new ATOM 28 N ALA A 22 -6.465 -6.717 13.226 1.00 0.00 N ATOM 29 CA ALA A 22 -6.458 -6.658 11.759 1.00 0.00 C ATOM 30 C ALA A 22 -6.631 -5.205 11.302 1.00 0.00 C ATOM 31 O ALA A 22 -7.760 -4.726 11.143 1.00 0.00 O ATOM 32 CB ALA A 22 -7.561 -7.570 11.177 1.00 0.00 C ATOM 0 H ALA A 22 -7.097 -6.042 13.657 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.501 -7.023 11.386 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.542 -7.515 10.089 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.386 -8.599 11.491 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.535 -7.241 11.540 1.00 0.00 H new ATOM 38 N ALA A 23 -5.500 -4.490 11.164 1.00 0.00 N ATOM 39 CA ALA A 23 -5.484 -3.089 10.712 1.00 0.00 C ATOM 40 C ALA A 23 -5.678 -3.045 9.189 1.00 0.00 C ATOM 41 O ALA A 23 -4.734 -3.288 8.446 1.00 0.00 O ATOM 42 CB ALA A 23 -4.174 -2.379 11.125 1.00 0.00 C ATOM 0 H ALA A 23 -4.573 -4.867 11.363 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.303 -2.554 11.193 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.194 -1.347 10.776 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.079 -2.393 12.211 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.324 -2.896 10.680 1.00 0.00 H new ATOM 48 N VAL A 24 -6.920 -2.777 8.739 1.00 0.00 N ATOM 49 CA VAL A 24 -7.230 -2.632 7.304 1.00 0.00 C ATOM 50 C VAL A 24 -6.493 -1.390 6.727 1.00 0.00 C ATOM 51 O VAL A 24 -6.495 -0.328 7.356 1.00 0.00 O ATOM 52 CB VAL A 24 -8.787 -2.549 7.041 1.00 0.00 C ATOM 53 CG1 VAL A 24 -9.470 -3.887 7.425 1.00 0.00 C ATOM 54 CG2 VAL A 24 -9.447 -1.345 7.772 1.00 0.00 C ATOM 0 H VAL A 24 -7.727 -2.656 9.352 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.874 -3.524 6.788 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.932 -2.378 5.974 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.542 -3.815 7.239 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.051 -4.695 6.825 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -9.298 -4.093 8.482 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.516 -1.332 7.560 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.292 -1.442 8.846 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -8.996 -0.416 7.423 1.00 0.00 H new ATOM 64 N PRO A 25 -5.801 -1.525 5.554 1.00 0.00 N ATOM 65 CA PRO A 25 -4.951 -0.443 4.990 1.00 0.00 C ATOM 66 C PRO A 25 -5.763 0.765 4.494 1.00 0.00 C ATOM 67 O PRO A 25 -6.993 0.710 4.375 1.00 0.00 O ATOM 68 CB PRO A 25 -4.222 -1.143 3.818 1.00 0.00 C ATOM 69 CG PRO A 25 -5.173 -2.211 3.392 1.00 0.00 C ATOM 70 CD PRO A 25 -5.795 -2.723 4.674 1.00 0.00 C ATOM 0 HA PRO A 25 -4.280 -0.022 5.738 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -4.012 -0.447 3.005 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -3.267 -1.561 4.134 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.932 -1.816 2.716 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.656 -3.009 2.859 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.802 -3.105 4.508 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.213 -3.537 5.106 1.00 0.00 H new ATOM 78 N GLN A 26 -5.037 1.839 4.194 1.00 0.00 N ATOM 79 CA GLN A 26 -5.604 3.107 3.725 1.00 0.00 C ATOM 80 C GLN A 26 -5.053 3.412 2.325 1.00 0.00 C ATOM 81 O GLN A 26 -3.919 3.025 1.988 1.00 0.00 O ATOM 82 CB GLN A 26 -5.243 4.241 4.725 1.00 0.00 C ATOM 83 CG GLN A 26 -3.725 4.487 4.906 1.00 0.00 C ATOM 84 CD GLN A 26 -3.389 5.551 5.961 1.00 0.00 C ATOM 85 OE1 GLN A 26 -4.170 6.468 6.206 1.00 0.00 O ATOM 86 NE2 GLN A 26 -2.221 5.442 6.589 1.00 0.00 N ATOM 0 H GLN A 26 -4.020 1.856 4.270 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.690 3.037 3.668 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.709 5.167 4.387 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.677 4.002 5.696 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.245 3.549 5.185 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.299 4.791 3.950 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.592 4.671 6.366 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.955 6.130 7.294 1.00 0.00 H new ATOM 95 N ARG A 27 -5.871 4.075 1.496 1.00 0.00 N ATOM 96 CA ARG A 27 -5.411 4.621 0.221 1.00 0.00 C ATOM 97 C ARG A 27 -4.523 5.839 0.504 1.00 0.00 C ATOM 98 O ARG A 27 -4.995 6.890 0.948 1.00 0.00 O ATOM 99 CB ARG A 27 -6.610 4.947 -0.702 1.00 0.00 C ATOM 100 CG ARG A 27 -6.260 5.730 -1.982 1.00 0.00 C ATOM 101 CD ARG A 27 -7.433 5.833 -2.969 1.00 0.00 C ATOM 102 NE ARG A 27 -8.618 6.458 -2.360 1.00 0.00 N ATOM 103 CZ ARG A 27 -9.699 6.894 -3.017 1.00 0.00 C ATOM 104 NH1 ARG A 27 -9.774 6.838 -4.347 1.00 0.00 N ATOM 105 NH2 ARG A 27 -10.702 7.388 -2.327 1.00 0.00 N ATOM 0 H ARG A 27 -6.858 4.244 1.691 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.815 3.884 -0.317 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -7.092 4.012 -0.988 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.340 5.521 -0.132 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.935 6.734 -1.709 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.418 5.246 -2.477 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.124 6.414 -3.838 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.693 4.837 -3.327 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.615 6.569 -1.346 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.997 6.457 -4.886 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.609 7.177 -4.825 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.647 7.434 -1.309 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -11.535 7.726 -2.809 1.00 0.00 H new ATOM 119 N ALA A 28 -3.221 5.636 0.277 1.00 0.00 N ATOM 120 CA ALA A 28 -2.161 6.595 0.623 1.00 0.00 C ATOM 121 C ALA A 28 -1.885 7.583 -0.530 1.00 0.00 C ATOM 122 O ALA A 28 -1.294 8.647 -0.324 1.00 0.00 O ATOM 123 CB ALA A 28 -0.878 5.824 0.991 1.00 0.00 C ATOM 0 H ALA A 28 -2.866 4.786 -0.160 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.495 7.183 1.478 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.090 6.531 1.248 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.076 5.175 1.844 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.560 5.220 0.141 1.00 0.00 H new ATOM 129 N TRP A 29 -2.332 7.215 -1.744 1.00 0.00 N ATOM 130 CA TRP A 29 -2.057 7.965 -2.982 1.00 0.00 C ATOM 131 C TRP A 29 -3.352 8.190 -3.746 1.00 0.00 C ATOM 132 O TRP A 29 -4.193 7.288 -3.841 1.00 0.00 O ATOM 133 CB TRP A 29 -1.063 7.200 -3.895 1.00 0.00 C ATOM 134 CG TRP A 29 0.258 6.900 -3.230 1.00 0.00 C ATOM 135 CD1 TRP A 29 1.218 7.795 -2.845 1.00 0.00 C ATOM 136 CD2 TRP A 29 0.759 5.605 -2.890 1.00 0.00 C ATOM 137 NE1 TRP A 29 2.273 7.130 -2.282 1.00 0.00 N ATOM 138 CE2 TRP A 29 2.013 5.787 -2.295 1.00 0.00 C ATOM 139 CE3 TRP A 29 0.262 4.310 -3.026 1.00 0.00 C ATOM 140 CZ2 TRP A 29 2.772 4.728 -1.839 1.00 0.00 C ATOM 141 CZ3 TRP A 29 1.018 3.255 -2.569 1.00 0.00 C ATOM 142 CH2 TRP A 29 2.266 3.472 -1.978 1.00 0.00 C ATOM 0 H TRP A 29 -2.899 6.381 -1.894 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.612 8.920 -2.702 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -1.521 6.264 -4.213 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.882 7.788 -4.795 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.153 8.866 -2.967 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.118 7.566 -1.912 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.701 4.137 -3.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.738 4.891 -1.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.643 2.247 -2.668 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.839 2.628 -1.625 1.00 0.00 H new ATOM 153 N THR A 30 -3.487 9.391 -4.295 1.00 0.00 N ATOM 154 CA THR A 30 -4.570 9.741 -5.206 1.00 0.00 C ATOM 155 C THR A 30 -4.217 9.209 -6.603 1.00 0.00 C ATOM 156 O THR A 30 -3.062 8.817 -6.839 1.00 0.00 O ATOM 157 CB THR A 30 -4.778 11.286 -5.224 1.00 0.00 C ATOM 158 OG1 THR A 30 -3.560 11.930 -5.616 1.00 0.00 O ATOM 159 CG2 THR A 30 -5.217 11.832 -3.848 1.00 0.00 C ATOM 0 H THR A 30 -2.839 10.159 -4.118 1.00 0.00 H new ATOM 0 HA THR A 30 -5.506 9.290 -4.876 1.00 0.00 H new ATOM 0 HB THR A 30 -5.573 11.499 -5.939 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.641 12.897 -5.476 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.349 12.912 -3.910 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.159 11.367 -3.556 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.453 11.602 -3.105 1.00 0.00 H new ATOM 167 N VAL A 31 -5.193 9.195 -7.529 1.00 0.00 N ATOM 168 CA VAL A 31 -4.992 8.605 -8.865 1.00 0.00 C ATOM 169 C VAL A 31 -3.894 9.358 -9.655 1.00 0.00 C ATOM 170 O VAL A 31 -3.167 8.748 -10.450 1.00 0.00 O ATOM 171 CB VAL A 31 -6.336 8.499 -9.682 1.00 0.00 C ATOM 172 CG1 VAL A 31 -6.892 9.890 -10.078 1.00 0.00 C ATOM 173 CG2 VAL A 31 -6.184 7.556 -10.910 1.00 0.00 C ATOM 0 H VAL A 31 -6.124 9.583 -7.378 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.643 7.584 -8.712 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.077 8.049 -9.022 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.818 9.765 -10.639 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.088 10.473 -9.178 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.161 10.412 -10.696 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.130 7.507 -11.450 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.408 7.942 -11.571 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.908 6.558 -10.570 1.00 0.00 H new ATOM 183 N GLU A 32 -3.750 10.680 -9.377 1.00 0.00 N ATOM 184 CA GLU A 32 -2.685 11.515 -9.965 1.00 0.00 C ATOM 185 C GLU A 32 -1.302 11.104 -9.414 1.00 0.00 C ATOM 186 O GLU A 32 -0.335 11.051 -10.175 1.00 0.00 O ATOM 187 CB GLU A 32 -2.934 13.033 -9.715 1.00 0.00 C ATOM 188 CG GLU A 32 -2.851 13.487 -8.247 1.00 0.00 C ATOM 189 CD GLU A 32 -2.865 15.009 -8.078 1.00 0.00 C ATOM 190 OE1 GLU A 32 -1.785 15.634 -8.189 1.00 0.00 O ATOM 191 OE2 GLU A 32 -3.946 15.588 -7.844 1.00 0.00 O ATOM 0 H GLU A 32 -4.367 11.188 -8.743 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.701 11.348 -11.042 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.207 13.602 -10.294 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.921 13.289 -10.101 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.688 13.060 -7.695 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.939 13.088 -7.802 1.00 0.00 H new ATOM 198 N GLN A 33 -1.223 10.806 -8.094 1.00 0.00 N ATOM 199 CA GLN A 33 0.030 10.359 -7.441 1.00 0.00 C ATOM 200 C GLN A 33 0.483 9.010 -8.010 1.00 0.00 C ATOM 201 O GLN A 33 1.668 8.826 -8.298 1.00 0.00 O ATOM 202 CB GLN A 33 -0.158 10.261 -5.907 1.00 0.00 C ATOM 203 CG GLN A 33 -0.325 11.616 -5.205 1.00 0.00 C ATOM 204 CD GLN A 33 -0.527 11.481 -3.701 1.00 0.00 C ATOM 205 OE1 GLN A 33 -1.651 11.440 -3.219 1.00 0.00 O ATOM 206 NE2 GLN A 33 0.559 11.369 -2.956 1.00 0.00 N ATOM 0 H GLN A 33 -2.018 10.868 -7.458 1.00 0.00 H new ATOM 0 HA GLN A 33 0.804 11.099 -7.647 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.033 9.646 -5.698 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.702 9.746 -5.479 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.556 12.229 -5.395 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.178 12.141 -5.636 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.481 11.407 -3.390 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.475 11.244 -1.947 1.00 0.00 H new ATOM 215 N LEU A 34 -0.494 8.112 -8.212 1.00 0.00 N ATOM 216 CA LEU A 34 -0.259 6.753 -8.721 1.00 0.00 C ATOM 217 C LEU A 34 0.385 6.785 -10.108 1.00 0.00 C ATOM 218 O LEU A 34 1.446 6.202 -10.311 1.00 0.00 O ATOM 219 CB LEU A 34 -1.597 5.992 -8.802 1.00 0.00 C ATOM 220 CG LEU A 34 -2.271 5.659 -7.452 1.00 0.00 C ATOM 221 CD1 LEU A 34 -3.723 5.187 -7.676 1.00 0.00 C ATOM 222 CD2 LEU A 34 -1.424 4.625 -6.663 1.00 0.00 C ATOM 0 H LEU A 34 -1.477 8.311 -8.025 1.00 0.00 H new ATOM 0 HA LEU A 34 0.420 6.247 -8.035 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.293 6.584 -9.397 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.430 5.060 -9.341 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.320 6.562 -6.843 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.183 4.957 -6.715 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.290 5.976 -8.170 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.723 4.294 -8.302 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.913 4.402 -5.715 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.330 3.710 -7.247 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.433 5.036 -6.472 1.00 0.00 H new ATOM 234 N ARG A 35 -0.263 7.533 -11.027 1.00 0.00 N ATOM 235 CA ARG A 35 0.149 7.620 -12.441 1.00 0.00 C ATOM 236 C ARG A 35 1.436 8.457 -12.585 1.00 0.00 C ATOM 237 O ARG A 35 2.166 8.301 -13.575 1.00 0.00 O ATOM 238 CB ARG A 35 -0.992 8.222 -13.314 1.00 0.00 C ATOM 239 CG ARG A 35 -1.308 9.709 -13.019 1.00 0.00 C ATOM 240 CD ARG A 35 -2.549 10.226 -13.757 1.00 0.00 C ATOM 241 NE ARG A 35 -2.379 10.244 -15.220 1.00 0.00 N ATOM 242 CZ ARG A 35 -3.364 10.469 -16.106 1.00 0.00 C ATOM 243 NH1 ARG A 35 -4.621 10.653 -15.704 1.00 0.00 N ATOM 244 NH2 ARG A 35 -3.079 10.500 -17.398 1.00 0.00 N ATOM 0 H ARG A 35 -1.087 8.093 -10.807 1.00 0.00 H new ATOM 0 HA ARG A 35 0.355 6.610 -12.795 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.720 8.123 -14.365 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.897 7.634 -13.163 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.453 9.836 -11.946 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.448 10.318 -13.299 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.404 9.599 -13.503 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.778 11.234 -13.410 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.443 10.073 -15.588 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.848 10.624 -14.710 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.356 10.823 -16.390 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.120 10.354 -17.712 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.819 10.670 -18.079 1.00 0.00 H new ATOM 258 N SER A 36 1.701 9.341 -11.592 1.00 0.00 N ATOM 259 CA SER A 36 2.864 10.243 -11.610 1.00 0.00 C ATOM 260 C SER A 36 4.164 9.434 -11.583 1.00 0.00 C ATOM 261 O SER A 36 4.378 8.626 -10.670 1.00 0.00 O ATOM 262 CB SER A 36 2.832 11.231 -10.420 1.00 0.00 C ATOM 263 OG SER A 36 3.879 12.195 -10.509 1.00 0.00 O ATOM 0 H SER A 36 1.115 9.444 -10.764 1.00 0.00 H new ATOM 0 HA SER A 36 2.820 10.823 -12.532 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.869 11.741 -10.395 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.924 10.678 -9.485 1.00 0.00 H new ATOM 0 HG SER A 36 3.829 12.804 -9.743 1.00 0.00 H new ATOM 269 N GLU A 37 5.017 9.658 -12.591 1.00 0.00 N ATOM 270 CA GLU A 37 6.293 8.940 -12.762 1.00 0.00 C ATOM 271 C GLU A 37 7.291 9.232 -11.626 1.00 0.00 C ATOM 272 O GLU A 37 8.227 8.451 -11.399 1.00 0.00 O ATOM 273 CB GLU A 37 6.910 9.290 -14.138 1.00 0.00 C ATOM 274 CG GLU A 37 7.208 10.788 -14.362 1.00 0.00 C ATOM 275 CD GLU A 37 7.855 11.073 -15.728 1.00 0.00 C ATOM 276 OE1 GLU A 37 9.098 11.016 -15.834 1.00 0.00 O ATOM 277 OE2 GLU A 37 7.127 11.344 -16.705 1.00 0.00 O ATOM 0 H GLU A 37 4.841 10.350 -13.320 1.00 0.00 H new ATOM 0 HA GLU A 37 6.079 7.872 -12.720 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.838 8.730 -14.256 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.231 8.950 -14.920 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.280 11.354 -14.280 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.869 11.144 -13.572 1.00 0.00 H new ATOM 284 N GLN A 38 7.080 10.362 -10.927 1.00 0.00 N ATOM 285 CA GLN A 38 7.894 10.773 -9.773 1.00 0.00 C ATOM 286 C GLN A 38 7.664 9.831 -8.574 1.00 0.00 C ATOM 287 O GLN A 38 8.554 9.680 -7.735 1.00 0.00 O ATOM 288 CB GLN A 38 7.583 12.245 -9.403 1.00 0.00 C ATOM 289 CG GLN A 38 7.863 13.243 -10.549 1.00 0.00 C ATOM 290 CD GLN A 38 7.486 14.692 -10.213 1.00 0.00 C ATOM 291 OE1 GLN A 38 6.564 14.946 -9.439 1.00 0.00 O ATOM 292 NE2 GLN A 38 8.194 15.654 -10.789 1.00 0.00 N ATOM 0 H GLN A 38 6.333 11.020 -11.151 1.00 0.00 H new ATOM 0 HA GLN A 38 8.948 10.703 -10.043 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.536 12.324 -9.111 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.178 12.526 -8.534 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.922 13.202 -10.803 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.310 12.929 -11.435 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.953 15.416 -11.427 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.979 16.632 -10.594 1.00 0.00 H new ATOM 301 N LEU A 39 6.468 9.198 -8.499 1.00 0.00 N ATOM 302 CA LEU A 39 6.203 8.107 -7.538 1.00 0.00 C ATOM 303 C LEU A 39 6.734 6.786 -8.142 1.00 0.00 C ATOM 304 O LEU A 39 6.265 6.389 -9.220 1.00 0.00 O ATOM 305 CB LEU A 39 4.681 7.967 -7.227 1.00 0.00 C ATOM 306 CG LEU A 39 4.294 6.841 -6.201 1.00 0.00 C ATOM 307 CD1 LEU A 39 4.883 7.107 -4.794 1.00 0.00 C ATOM 308 CD2 LEU A 39 2.764 6.626 -6.148 1.00 0.00 C ATOM 0 H LEU A 39 5.672 9.427 -9.095 1.00 0.00 H new ATOM 0 HA LEU A 39 6.708 8.336 -6.600 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.318 8.921 -6.845 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.154 7.777 -8.162 1.00 0.00 H new ATOM 0 HG LEU A 39 4.743 5.915 -6.560 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.589 6.303 -4.119 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.970 7.149 -4.857 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.504 8.056 -4.415 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.532 5.841 -5.429 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.277 7.552 -5.844 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.403 6.333 -7.134 1.00 0.00 H new ATOM 320 N PRO A 40 7.737 6.105 -7.491 1.00 0.00 N ATOM 321 CA PRO A 40 8.240 4.797 -7.968 1.00 0.00 C ATOM 322 C PRO A 40 7.154 3.695 -7.911 1.00 0.00 C ATOM 323 O PRO A 40 6.352 3.637 -6.968 1.00 0.00 O ATOM 324 CB PRO A 40 9.437 4.494 -7.023 1.00 0.00 C ATOM 325 CG PRO A 40 9.204 5.333 -5.799 1.00 0.00 C ATOM 326 CD PRO A 40 8.462 6.566 -6.272 1.00 0.00 C ATOM 0 HA PRO A 40 8.535 4.822 -9.017 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.479 3.435 -6.770 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.385 4.747 -7.497 1.00 0.00 H new ATOM 0 HG2 PRO A 40 8.621 4.787 -5.057 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.148 5.603 -5.326 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.772 6.933 -5.512 1.00 0.00 H new ATOM 0 HD3 PRO A 40 9.148 7.382 -6.500 1.00 0.00 H new ATOM 334 N LYS A 41 7.155 2.832 -8.943 1.00 0.00 N ATOM 335 CA LYS A 41 6.225 1.696 -9.074 1.00 0.00 C ATOM 336 C LYS A 41 6.393 0.707 -7.906 1.00 0.00 C ATOM 337 O LYS A 41 5.416 0.112 -7.444 1.00 0.00 O ATOM 338 CB LYS A 41 6.477 0.964 -10.418 1.00 0.00 C ATOM 339 CG LYS A 41 6.184 1.807 -11.680 1.00 0.00 C ATOM 340 CD LYS A 41 6.179 0.961 -12.973 1.00 0.00 C ATOM 341 CE LYS A 41 7.494 0.211 -13.205 1.00 0.00 C ATOM 342 NZ LYS A 41 7.458 -0.614 -14.432 1.00 0.00 N ATOM 0 H LYS A 41 7.811 2.905 -9.720 1.00 0.00 H new ATOM 0 HA LYS A 41 5.207 2.084 -9.053 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.517 0.639 -10.449 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.861 0.065 -10.447 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.217 2.298 -11.568 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.933 2.594 -11.768 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.361 0.242 -12.927 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.984 1.612 -13.825 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.312 0.928 -13.275 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.703 -0.427 -12.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.417 -0.953 -14.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.828 -1.428 -14.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.104 -0.042 -15.225 1.00 0.00 H new ATOM 356 N LYS A 42 7.640 0.596 -7.414 1.00 0.00 N ATOM 357 CA LYS A 42 8.007 -0.299 -6.308 1.00 0.00 C ATOM 358 C LYS A 42 7.337 0.142 -4.996 1.00 0.00 C ATOM 359 O LYS A 42 7.018 -0.692 -4.165 1.00 0.00 O ATOM 360 CB LYS A 42 9.552 -0.335 -6.144 1.00 0.00 C ATOM 361 CG LYS A 42 10.168 1.024 -5.769 1.00 0.00 C ATOM 362 CD LYS A 42 11.704 0.999 -5.671 1.00 0.00 C ATOM 363 CE LYS A 42 12.401 0.666 -7.002 1.00 0.00 C ATOM 364 NZ LYS A 42 13.854 0.934 -6.927 1.00 0.00 N ATOM 0 H LYS A 42 8.428 1.132 -7.779 1.00 0.00 H new ATOM 0 HA LYS A 42 7.652 -1.302 -6.545 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.810 -1.065 -5.376 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.999 -0.681 -7.076 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.872 1.765 -6.512 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.757 1.349 -4.813 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.053 1.970 -5.321 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.000 0.265 -4.922 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.234 -0.382 -7.251 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.960 1.258 -7.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 14.298 0.700 -7.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 14.011 1.940 -6.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.276 0.351 -6.177 1.00 0.00 H new ATOM 378 N ASP A 43 7.119 1.462 -4.832 1.00 0.00 N ATOM 379 CA ASP A 43 6.517 2.021 -3.600 1.00 0.00 C ATOM 380 C ASP A 43 5.053 1.558 -3.491 1.00 0.00 C ATOM 381 O ASP A 43 4.569 1.237 -2.400 1.00 0.00 O ATOM 382 CB ASP A 43 6.598 3.576 -3.586 1.00 0.00 C ATOM 383 CG ASP A 43 6.743 4.164 -2.166 1.00 0.00 C ATOM 384 OD1 ASP A 43 5.803 4.057 -1.363 1.00 0.00 O ATOM 385 OD2 ASP A 43 7.823 4.705 -1.835 1.00 0.00 O ATOM 0 H ASP A 43 7.350 2.163 -5.536 1.00 0.00 H new ATOM 0 HA ASP A 43 7.079 1.655 -2.741 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.446 3.895 -4.193 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.701 3.984 -4.052 1.00 0.00 H new ATOM 390 N ILE A 44 4.378 1.507 -4.660 1.00 0.00 N ATOM 391 CA ILE A 44 2.989 1.040 -4.785 1.00 0.00 C ATOM 392 C ILE A 44 2.918 -0.472 -4.476 1.00 0.00 C ATOM 393 O ILE A 44 2.164 -0.887 -3.610 1.00 0.00 O ATOM 394 CB ILE A 44 2.397 1.337 -6.225 1.00 0.00 C ATOM 395 CG1 ILE A 44 2.698 2.812 -6.659 1.00 0.00 C ATOM 396 CG2 ILE A 44 0.869 1.049 -6.278 1.00 0.00 C ATOM 397 CD1 ILE A 44 2.271 3.164 -8.084 1.00 0.00 C ATOM 0 H ILE A 44 4.790 1.792 -5.548 1.00 0.00 H new ATOM 0 HA ILE A 44 2.382 1.588 -4.064 1.00 0.00 H new ATOM 0 HB ILE A 44 2.888 0.666 -6.930 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.196 3.488 -5.967 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.768 2.993 -6.561 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.493 1.262 -7.279 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.688 0.001 -6.038 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.354 1.681 -5.555 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.520 4.205 -8.292 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.792 2.518 -8.790 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.195 3.021 -8.187 1.00 0.00 H new ATOM 409 N ILE A 45 3.741 -1.269 -5.181 1.00 0.00 N ATOM 410 CA ILE A 45 3.780 -2.755 -5.035 1.00 0.00 C ATOM 411 C ILE A 45 4.147 -3.185 -3.596 1.00 0.00 C ATOM 412 O ILE A 45 3.619 -4.178 -3.086 1.00 0.00 O ATOM 413 CB ILE A 45 4.818 -3.365 -6.042 1.00 0.00 C ATOM 414 CG1 ILE A 45 4.439 -2.971 -7.498 1.00 0.00 C ATOM 415 CG2 ILE A 45 4.956 -4.906 -5.893 1.00 0.00 C ATOM 416 CD1 ILE A 45 5.510 -3.240 -8.539 1.00 0.00 C ATOM 0 H ILE A 45 4.402 -0.912 -5.871 1.00 0.00 H new ATOM 0 HA ILE A 45 2.781 -3.131 -5.254 1.00 0.00 H new ATOM 0 HB ILE A 45 5.796 -2.946 -5.804 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.536 -3.512 -7.781 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.194 -1.909 -7.518 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.686 -5.277 -6.612 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.288 -5.146 -4.883 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.991 -5.377 -6.079 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.149 -2.931 -9.520 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.409 -2.677 -8.289 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.741 -4.305 -8.556 1.00 0.00 H new ATOM 428 N LYS A 46 5.041 -2.407 -2.973 1.00 0.00 N ATOM 429 CA LYS A 46 5.442 -2.564 -1.557 1.00 0.00 C ATOM 430 C LYS A 46 4.204 -2.558 -0.643 1.00 0.00 C ATOM 431 O LYS A 46 4.067 -3.399 0.245 1.00 0.00 O ATOM 432 CB LYS A 46 6.385 -1.396 -1.171 1.00 0.00 C ATOM 433 CG LYS A 46 6.828 -1.336 0.311 1.00 0.00 C ATOM 434 CD LYS A 46 7.545 -0.011 0.658 1.00 0.00 C ATOM 435 CE LYS A 46 6.657 1.228 0.419 1.00 0.00 C ATOM 436 NZ LYS A 46 7.363 2.498 0.715 1.00 0.00 N ATOM 0 H LYS A 46 5.518 -1.636 -3.441 1.00 0.00 H new ATOM 0 HA LYS A 46 5.957 -3.516 -1.432 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.278 -1.457 -1.793 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.888 -0.458 -1.418 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.955 -1.453 0.953 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.494 -2.173 0.523 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.856 -0.034 1.702 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.451 0.075 0.058 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.321 1.236 -0.618 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.765 1.158 1.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.850 3.290 0.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.406 2.639 1.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.328 2.456 0.330 1.00 0.00 H new ATOM 450 N PHE A 47 3.313 -1.596 -0.925 1.00 0.00 N ATOM 451 CA PHE A 47 2.034 -1.435 -0.221 1.00 0.00 C ATOM 452 C PHE A 47 1.071 -2.614 -0.518 1.00 0.00 C ATOM 453 O PHE A 47 0.443 -3.166 0.394 1.00 0.00 O ATOM 454 CB PHE A 47 1.381 -0.084 -0.632 1.00 0.00 C ATOM 455 CG PHE A 47 -0.065 0.065 -0.169 1.00 0.00 C ATOM 456 CD1 PHE A 47 -0.361 0.039 1.175 1.00 0.00 C ATOM 457 CD2 PHE A 47 -1.109 0.173 -1.069 1.00 0.00 C ATOM 458 CE1 PHE A 47 -1.659 0.135 1.624 1.00 0.00 C ATOM 459 CE2 PHE A 47 -2.409 0.263 -0.628 1.00 0.00 C ATOM 460 CZ PHE A 47 -2.687 0.248 0.719 1.00 0.00 C ATOM 0 H PHE A 47 3.463 -0.901 -1.656 1.00 0.00 H new ATOM 0 HA PHE A 47 2.229 -1.433 0.851 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.971 0.735 -0.220 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.417 0.012 -1.717 1.00 0.00 H new ATOM 0 HD1 PHE A 47 0.441 -0.059 1.892 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.902 0.187 -2.129 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.868 0.122 2.683 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -3.215 0.346 -1.342 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.708 0.325 1.064 1.00 0.00 H new ATOM 470 N LEU A 48 0.974 -2.978 -1.799 1.00 0.00 N ATOM 471 CA LEU A 48 0.003 -3.972 -2.301 1.00 0.00 C ATOM 472 C LEU A 48 0.287 -5.377 -1.741 1.00 0.00 C ATOM 473 O LEU A 48 -0.640 -6.145 -1.493 1.00 0.00 O ATOM 474 CB LEU A 48 0.025 -3.976 -3.853 1.00 0.00 C ATOM 475 CG LEU A 48 -0.269 -2.598 -4.524 1.00 0.00 C ATOM 476 CD1 LEU A 48 -0.097 -2.663 -6.056 1.00 0.00 C ATOM 477 CD2 LEU A 48 -1.654 -2.058 -4.132 1.00 0.00 C ATOM 0 H LEU A 48 1.571 -2.591 -2.530 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.992 -3.690 -1.957 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.003 -4.323 -4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.708 -4.700 -4.209 1.00 0.00 H new ATOM 0 HG LEU A 48 0.470 -1.892 -4.145 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.310 -1.685 -6.488 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.927 -2.950 -6.295 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.786 -3.400 -6.469 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.821 -1.097 -4.619 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.422 -2.764 -4.448 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.702 -1.930 -3.051 1.00 0.00 H new ATOM 489 N GLN A 49 1.582 -5.696 -1.542 1.00 0.00 N ATOM 490 CA GLN A 49 2.004 -6.976 -0.929 1.00 0.00 C ATOM 491 C GLN A 49 1.963 -6.885 0.610 1.00 0.00 C ATOM 492 O GLN A 49 1.788 -7.907 1.287 1.00 0.00 O ATOM 493 CB GLN A 49 3.410 -7.416 -1.424 1.00 0.00 C ATOM 494 CG GLN A 49 4.594 -6.577 -0.901 1.00 0.00 C ATOM 495 CD GLN A 49 5.967 -7.089 -1.352 1.00 0.00 C ATOM 496 OE1 GLN A 49 6.942 -7.005 -0.602 1.00 0.00 O ATOM 497 NE2 GLN A 49 6.069 -7.593 -2.585 1.00 0.00 N ATOM 0 H GLN A 49 2.357 -5.084 -1.797 1.00 0.00 H new ATOM 0 HA GLN A 49 1.295 -7.741 -1.246 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.568 -8.455 -1.135 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.418 -7.384 -2.513 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.473 -5.547 -1.237 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.563 -6.562 0.188 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.244 -7.650 -3.183 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.972 -7.921 -2.929 1.00 0.00 H new ATOM 506 N GLU A 50 2.151 -5.655 1.137 1.00 0.00 N ATOM 507 CA GLU A 50 2.126 -5.371 2.591 1.00 0.00 C ATOM 508 C GLU A 50 0.751 -5.704 3.186 1.00 0.00 C ATOM 509 O GLU A 50 0.666 -6.400 4.201 1.00 0.00 O ATOM 510 CB GLU A 50 2.490 -3.869 2.858 1.00 0.00 C ATOM 511 CG GLU A 50 2.318 -3.350 4.309 1.00 0.00 C ATOM 512 CD GLU A 50 3.092 -4.146 5.369 1.00 0.00 C ATOM 513 OE1 GLU A 50 4.336 -4.037 5.424 1.00 0.00 O ATOM 514 OE2 GLU A 50 2.455 -4.880 6.155 1.00 0.00 O ATOM 0 H GLU A 50 2.325 -4.828 0.565 1.00 0.00 H new ATOM 0 HA GLU A 50 2.870 -6.002 3.078 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.528 -3.715 2.564 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.878 -3.250 2.202 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.639 -2.309 4.349 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.258 -3.366 4.563 1.00 0.00 H new ATOM 521 N HIS A 51 -0.326 -5.221 2.544 1.00 0.00 N ATOM 522 CA HIS A 51 -1.684 -5.316 3.129 1.00 0.00 C ATOM 523 C HIS A 51 -2.771 -5.646 2.089 1.00 0.00 C ATOM 524 O HIS A 51 -3.957 -5.357 2.299 1.00 0.00 O ATOM 525 CB HIS A 51 -1.994 -4.040 3.976 1.00 0.00 C ATOM 526 CG HIS A 51 -1.829 -4.256 5.460 1.00 0.00 C ATOM 527 ND1 HIS A 51 -0.629 -4.602 6.045 1.00 0.00 N ATOM 528 CD2 HIS A 51 -2.732 -4.257 6.458 1.00 0.00 C ATOM 529 CE1 HIS A 51 -0.808 -4.805 7.330 1.00 0.00 C ATOM 530 NE2 HIS A 51 -2.075 -4.601 7.607 1.00 0.00 N ATOM 0 H HIS A 51 -0.290 -4.766 1.632 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.700 -6.170 3.806 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -1.335 -3.232 3.658 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.015 -3.717 3.774 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -3.784 -4.028 6.368 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -0.044 -5.091 8.038 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -2.501 -4.685 8.530 1.00 0.00 H new ATOM 539 N GLY A 52 -2.349 -6.253 0.972 1.00 0.00 N ATOM 540 CA GLY A 52 -3.249 -7.050 0.133 1.00 0.00 C ATOM 541 C GLY A 52 -3.327 -8.479 0.685 1.00 0.00 C ATOM 542 O GLY A 52 -3.276 -8.669 1.908 1.00 0.00 O ATOM 0 H GLY A 52 -1.389 -6.206 0.630 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.242 -6.600 0.116 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.888 -7.065 -0.895 1.00 0.00 H new ATOM 546 N SER A 53 -3.431 -9.480 -0.198 1.00 0.00 N ATOM 547 CA SER A 53 -3.401 -10.903 0.199 1.00 0.00 C ATOM 548 C SER A 53 -2.799 -11.744 -0.928 1.00 0.00 C ATOM 549 O SER A 53 -2.757 -11.305 -2.071 1.00 0.00 O ATOM 550 CB SER A 53 -4.823 -11.399 0.569 1.00 0.00 C ATOM 551 OG SER A 53 -4.801 -12.728 1.069 1.00 0.00 O ATOM 0 H SER A 53 -3.538 -9.334 -1.202 1.00 0.00 H new ATOM 0 HA SER A 53 -2.774 -11.011 1.084 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.257 -10.736 1.317 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.466 -11.351 -0.310 1.00 0.00 H new ATOM 0 HG SER A 53 -5.713 -13.008 1.294 1.00 0.00 H new ATOM 557 N ASP A 54 -2.380 -12.974 -0.577 1.00 0.00 N ATOM 558 CA ASP A 54 -1.660 -13.908 -1.482 1.00 0.00 C ATOM 559 C ASP A 54 -2.393 -14.133 -2.825 1.00 0.00 C ATOM 560 O ASP A 54 -1.750 -14.263 -3.865 1.00 0.00 O ATOM 561 CB ASP A 54 -1.439 -15.272 -0.772 1.00 0.00 C ATOM 562 CG ASP A 54 -2.749 -15.907 -0.269 1.00 0.00 C ATOM 563 OD1 ASP A 54 -3.399 -16.668 -1.022 1.00 0.00 O ATOM 564 OD2 ASP A 54 -3.159 -15.607 0.869 1.00 0.00 O ATOM 0 H ASP A 54 -2.531 -13.359 0.356 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.701 -13.444 -1.714 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.950 -15.960 -1.462 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.763 -15.131 0.071 1.00 0.00 H new ATOM 569 N SER A 55 -3.734 -14.160 -2.767 1.00 0.00 N ATOM 570 CA SER A 55 -4.600 -14.355 -3.944 1.00 0.00 C ATOM 571 C SER A 55 -4.571 -13.109 -4.858 1.00 0.00 C ATOM 572 O SER A 55 -4.428 -13.239 -6.074 1.00 0.00 O ATOM 573 CB SER A 55 -6.033 -14.661 -3.473 1.00 0.00 C ATOM 574 OG SER A 55 -6.042 -15.764 -2.577 1.00 0.00 O ATOM 0 H SER A 55 -4.253 -14.046 -1.896 1.00 0.00 H new ATOM 0 HA SER A 55 -4.230 -15.197 -4.528 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.455 -13.784 -2.982 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.665 -14.880 -4.334 1.00 0.00 H new ATOM 0 HG SER A 55 -6.961 -15.942 -2.287 1.00 0.00 H new ATOM 580 N PHE A 56 -4.644 -11.909 -4.237 1.00 0.00 N ATOM 581 CA PHE A 56 -4.513 -10.604 -4.929 1.00 0.00 C ATOM 582 C PHE A 56 -3.130 -10.494 -5.612 1.00 0.00 C ATOM 583 O PHE A 56 -3.006 -9.977 -6.741 1.00 0.00 O ATOM 584 CB PHE A 56 -4.723 -9.450 -3.904 1.00 0.00 C ATOM 585 CG PHE A 56 -4.458 -8.043 -4.443 1.00 0.00 C ATOM 586 CD1 PHE A 56 -5.308 -7.470 -5.390 1.00 0.00 C ATOM 587 CD2 PHE A 56 -3.362 -7.299 -4.006 1.00 0.00 C ATOM 588 CE1 PHE A 56 -5.069 -6.203 -5.877 1.00 0.00 C ATOM 589 CE2 PHE A 56 -3.125 -6.034 -4.498 1.00 0.00 C ATOM 590 CZ PHE A 56 -3.978 -5.485 -5.432 1.00 0.00 C ATOM 0 H PHE A 56 -4.797 -11.818 -3.233 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.275 -10.527 -5.704 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.748 -9.494 -3.537 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.070 -9.623 -3.048 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -6.163 -8.026 -5.745 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.690 -7.720 -3.272 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.737 -5.772 -6.608 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.270 -5.472 -4.152 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.792 -4.493 -5.815 1.00 0.00 H new ATOM 600 N LEU A 57 -2.109 -11.008 -4.911 1.00 0.00 N ATOM 601 CA LEU A 57 -0.718 -10.985 -5.371 1.00 0.00 C ATOM 602 C LEU A 57 -0.507 -12.009 -6.497 1.00 0.00 C ATOM 603 O LEU A 57 0.307 -11.787 -7.366 1.00 0.00 O ATOM 604 CB LEU A 57 0.256 -11.255 -4.189 1.00 0.00 C ATOM 605 CG LEU A 57 0.113 -10.317 -2.951 1.00 0.00 C ATOM 606 CD1 LEU A 57 1.201 -10.600 -1.896 1.00 0.00 C ATOM 607 CD2 LEU A 57 0.064 -8.834 -3.360 1.00 0.00 C ATOM 0 H LEU A 57 -2.229 -11.454 -4.002 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.503 -9.992 -5.767 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.115 -12.284 -3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.277 -11.177 -4.562 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.845 -10.540 -2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.069 -9.928 -1.048 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.119 -11.632 -1.556 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.185 -10.440 -2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.036 -8.214 -2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.983 -8.571 -3.884 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.789 -8.666 -4.017 1.00 0.00 H new ATOM 619 N ALA A 58 -1.239 -13.138 -6.457 1.00 0.00 N ATOM 620 CA ALA A 58 -1.154 -14.201 -7.487 1.00 0.00 C ATOM 621 C ALA A 58 -1.757 -13.735 -8.827 1.00 0.00 C ATOM 622 O ALA A 58 -1.139 -13.922 -9.885 1.00 0.00 O ATOM 623 CB ALA A 58 -1.854 -15.481 -6.989 1.00 0.00 C ATOM 0 H ALA A 58 -1.906 -13.343 -5.713 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.101 -14.422 -7.660 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.785 -16.254 -7.754 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.370 -15.829 -6.076 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.903 -15.266 -6.784 1.00 0.00 H new ATOM 629 N GLU A 59 -2.963 -13.129 -8.761 1.00 0.00 N ATOM 630 CA GLU A 59 -3.685 -12.601 -9.948 1.00 0.00 C ATOM 631 C GLU A 59 -2.808 -11.612 -10.731 1.00 0.00 C ATOM 632 O GLU A 59 -2.685 -11.699 -11.952 1.00 0.00 O ATOM 633 CB GLU A 59 -4.990 -11.883 -9.512 1.00 0.00 C ATOM 634 CG GLU A 59 -6.003 -12.774 -8.785 1.00 0.00 C ATOM 635 CD GLU A 59 -7.153 -11.966 -8.170 1.00 0.00 C ATOM 636 OE1 GLU A 59 -6.927 -11.298 -7.138 1.00 0.00 O ATOM 637 OE2 GLU A 59 -8.270 -11.945 -8.736 1.00 0.00 O ATOM 0 H GLU A 59 -3.466 -12.990 -7.885 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.928 -13.447 -10.590 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.729 -11.049 -8.861 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.468 -11.460 -10.396 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.409 -13.505 -9.485 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.494 -13.333 -8.000 1.00 0.00 H new ATOM 644 N HIS A 60 -2.186 -10.683 -9.995 1.00 0.00 N ATOM 645 CA HIS A 60 -1.481 -9.533 -10.582 1.00 0.00 C ATOM 646 C HIS A 60 0.051 -9.675 -10.461 1.00 0.00 C ATOM 647 O HIS A 60 0.779 -8.751 -10.817 1.00 0.00 O ATOM 648 CB HIS A 60 -1.969 -8.233 -9.891 1.00 0.00 C ATOM 649 CG HIS A 60 -3.470 -8.081 -9.854 1.00 0.00 C ATOM 650 ND1 HIS A 60 -4.194 -8.117 -8.688 1.00 0.00 N ATOM 651 CD2 HIS A 60 -4.373 -7.896 -10.847 1.00 0.00 C ATOM 652 CE1 HIS A 60 -5.472 -7.963 -8.965 1.00 0.00 C ATOM 653 NE2 HIS A 60 -5.610 -7.829 -10.269 1.00 0.00 N ATOM 0 H HIS A 60 -2.156 -10.706 -8.976 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.710 -9.492 -11.647 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.587 -8.211 -8.870 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.540 -7.376 -10.410 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -3.803 -8.243 -7.754 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.155 -7.816 -11.902 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.275 -7.949 -8.243 1.00 0.00 H new ATOM 662 N LYS A 61 0.524 -10.830 -9.947 1.00 0.00 N ATOM 663 CA LYS A 61 1.975 -11.155 -9.827 1.00 0.00 C ATOM 664 C LYS A 61 2.743 -10.074 -9.026 1.00 0.00 C ATOM 665 O LYS A 61 3.884 -9.742 -9.341 1.00 0.00 O ATOM 666 CB LYS A 61 2.590 -11.393 -11.234 1.00 0.00 C ATOM 667 CG LYS A 61 1.936 -12.562 -12.011 1.00 0.00 C ATOM 668 CD LYS A 61 2.474 -12.692 -13.453 1.00 0.00 C ATOM 669 CE LYS A 61 2.168 -11.447 -14.307 1.00 0.00 C ATOM 670 NZ LYS A 61 2.715 -11.552 -15.677 1.00 0.00 N ATOM 0 H LYS A 61 -0.086 -11.571 -9.600 1.00 0.00 H new ATOM 0 HA LYS A 61 2.073 -12.080 -9.258 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.494 -10.480 -11.821 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.656 -11.592 -11.126 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.115 -13.494 -11.475 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.857 -12.414 -12.042 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.552 -12.853 -13.423 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.033 -13.570 -13.925 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.089 -11.303 -14.360 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.584 -10.565 -13.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.482 -10.690 -16.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.748 -11.662 -15.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.300 -12.377 -16.154 1.00 0.00 H new ATOM 684 N LEU A 62 2.091 -9.568 -7.960 1.00 0.00 N ATOM 685 CA LEU A 62 2.647 -8.525 -7.071 1.00 0.00 C ATOM 686 C LEU A 62 3.474 -9.154 -5.923 1.00 0.00 C ATOM 687 O LEU A 62 4.105 -8.438 -5.131 1.00 0.00 O ATOM 688 CB LEU A 62 1.498 -7.634 -6.530 1.00 0.00 C ATOM 689 CG LEU A 62 0.638 -6.927 -7.624 1.00 0.00 C ATOM 690 CD1 LEU A 62 -0.578 -6.215 -7.009 1.00 0.00 C ATOM 691 CD2 LEU A 62 1.494 -5.963 -8.479 1.00 0.00 C ATOM 0 H LEU A 62 1.156 -9.873 -7.689 1.00 0.00 H new ATOM 0 HA LEU A 62 3.329 -7.896 -7.644 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.841 -8.249 -5.915 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.926 -6.873 -5.878 1.00 0.00 H new ATOM 0 HG LEU A 62 0.256 -7.699 -8.292 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.155 -5.733 -7.798 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.205 -6.944 -6.495 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.238 -5.463 -6.298 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.865 -5.487 -9.231 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.933 -5.199 -7.837 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.289 -6.522 -8.972 1.00 0.00 H new ATOM 703 N LEU A 63 3.436 -10.498 -5.844 1.00 0.00 N ATOM 704 CA LEU A 63 4.246 -11.292 -4.902 1.00 0.00 C ATOM 705 C LEU A 63 5.727 -11.328 -5.322 1.00 0.00 C ATOM 706 O LEU A 63 6.064 -11.094 -6.489 1.00 0.00 O ATOM 707 CB LEU A 63 3.630 -12.724 -4.739 1.00 0.00 C ATOM 708 CG LEU A 63 3.161 -13.471 -6.047 1.00 0.00 C ATOM 709 CD1 LEU A 63 4.329 -13.950 -6.934 1.00 0.00 C ATOM 710 CD2 LEU A 63 2.197 -14.631 -5.706 1.00 0.00 C ATOM 0 H LEU A 63 2.835 -11.068 -6.439 1.00 0.00 H new ATOM 0 HA LEU A 63 4.223 -10.810 -3.925 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.368 -13.352 -4.240 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.772 -12.647 -4.071 1.00 0.00 H new ATOM 0 HG LEU A 63 2.621 -12.735 -6.642 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.933 -14.455 -7.815 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.926 -13.092 -7.244 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.954 -14.642 -6.370 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.888 -15.130 -6.625 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.703 -15.346 -5.057 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.319 -14.236 -5.195 1.00 0.00 H new ATOM 722 N GLY A 64 6.592 -11.648 -4.355 1.00 0.00 N ATOM 723 CA GLY A 64 8.032 -11.734 -4.581 1.00 0.00 C ATOM 724 C GLY A 64 8.752 -10.423 -4.289 1.00 0.00 C ATOM 725 O GLY A 64 8.167 -9.501 -3.701 1.00 0.00 O ATOM 0 H GLY A 64 6.311 -11.854 -3.396 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.448 -12.520 -3.951 1.00 0.00 H new ATOM 0 HA3 GLY A 64 8.217 -12.023 -5.616 1.00 0.00 H new ATOM 729 N ASN A 65 10.030 -10.346 -4.698 1.00 0.00 N ATOM 730 CA ASN A 65 10.885 -9.158 -4.493 1.00 0.00 C ATOM 731 C ASN A 65 10.290 -7.952 -5.239 1.00 0.00 C ATOM 732 O ASN A 65 10.047 -8.034 -6.450 1.00 0.00 O ATOM 733 CB ASN A 65 12.325 -9.444 -4.980 1.00 0.00 C ATOM 734 CG ASN A 65 12.982 -10.601 -4.225 1.00 0.00 C ATOM 735 OD1 ASN A 65 12.847 -11.761 -4.614 1.00 0.00 O ATOM 736 ND2 ASN A 65 13.690 -10.300 -3.141 1.00 0.00 N ATOM 0 H ASN A 65 10.504 -11.108 -5.183 1.00 0.00 H new ATOM 0 HA ASN A 65 10.924 -8.926 -3.429 1.00 0.00 H new ATOM 0 HB2 ASN A 65 12.305 -9.675 -6.045 1.00 0.00 H new ATOM 0 HB3 ASN A 65 12.931 -8.546 -4.859 1.00 0.00 H new ATOM 0 HD21 ASN A 65 14.141 -11.041 -2.605 1.00 0.00 H new ATOM 0 HD22 ASN A 65 13.782 -9.328 -2.846 1.00 0.00 H new ATOM 743 N ILE A 66 10.085 -6.854 -4.502 1.00 0.00 N ATOM 744 CA ILE A 66 9.308 -5.685 -4.959 1.00 0.00 C ATOM 745 C ILE A 66 9.863 -5.084 -6.267 1.00 0.00 C ATOM 746 O ILE A 66 9.102 -4.820 -7.196 1.00 0.00 O ATOM 747 CB ILE A 66 9.297 -4.569 -3.861 1.00 0.00 C ATOM 748 CG1 ILE A 66 8.829 -5.134 -2.499 1.00 0.00 C ATOM 749 CG2 ILE A 66 8.414 -3.382 -4.279 1.00 0.00 C ATOM 750 CD1 ILE A 66 8.941 -4.158 -1.338 1.00 0.00 C ATOM 0 H ILE A 66 10.457 -6.746 -3.558 1.00 0.00 H new ATOM 0 HA ILE A 66 8.296 -6.043 -5.147 1.00 0.00 H new ATOM 0 HB ILE A 66 10.320 -4.209 -3.752 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.791 -5.453 -2.590 1.00 0.00 H new ATOM 0 HG13 ILE A 66 9.416 -6.023 -2.268 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.428 -2.625 -3.495 1.00 0.00 H new ATOM 0 HG22 ILE A 66 8.796 -2.953 -5.205 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.391 -3.726 -4.433 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.592 -4.638 -0.424 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.981 -3.857 -1.215 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.331 -3.278 -1.542 1.00 0.00 H new ATOM 762 N LYS A 67 11.192 -4.872 -6.304 1.00 0.00 N ATOM 763 CA LYS A 67 11.896 -4.266 -7.459 1.00 0.00 C ATOM 764 C LYS A 67 11.820 -5.173 -8.712 1.00 0.00 C ATOM 765 O LYS A 67 11.780 -4.678 -9.839 1.00 0.00 O ATOM 766 CB LYS A 67 13.372 -3.969 -7.079 1.00 0.00 C ATOM 767 CG LYS A 67 14.185 -5.205 -6.616 1.00 0.00 C ATOM 768 CD LYS A 67 15.611 -4.836 -6.159 1.00 0.00 C ATOM 769 CE LYS A 67 16.418 -6.055 -5.689 1.00 0.00 C ATOM 770 NZ LYS A 67 16.617 -7.049 -6.773 1.00 0.00 N ATOM 0 H LYS A 67 11.813 -5.116 -5.533 1.00 0.00 H new ATOM 0 HA LYS A 67 11.399 -3.329 -7.710 1.00 0.00 H new ATOM 0 HB2 LYS A 67 13.872 -3.525 -7.940 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.385 -3.224 -6.283 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.660 -5.695 -5.796 1.00 0.00 H new ATOM 0 HG3 LYS A 67 14.243 -5.924 -7.433 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.138 -4.352 -6.982 1.00 0.00 H new ATOM 0 HD3 LYS A 67 15.552 -4.110 -5.348 1.00 0.00 H new ATOM 0 HE2 LYS A 67 17.389 -5.725 -5.319 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.903 -6.529 -4.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.277 -7.786 -6.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.704 -7.484 -7.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 17.009 -6.575 -7.611 1.00 0.00 H new ATOM 784 N ASN A 68 11.780 -6.501 -8.487 1.00 0.00 N ATOM 785 CA ASN A 68 11.630 -7.506 -9.565 1.00 0.00 C ATOM 786 C ASN A 68 10.232 -7.380 -10.209 1.00 0.00 C ATOM 787 O ASN A 68 10.085 -7.451 -11.439 1.00 0.00 O ATOM 788 CB ASN A 68 11.833 -8.942 -9.007 1.00 0.00 C ATOM 789 CG ASN A 68 11.753 -10.032 -10.082 1.00 0.00 C ATOM 790 OD1 ASN A 68 12.359 -9.918 -11.149 1.00 0.00 O ATOM 791 ND2 ASN A 68 10.972 -11.074 -9.833 1.00 0.00 N ATOM 0 H ASN A 68 11.850 -6.910 -7.555 1.00 0.00 H new ATOM 0 HA ASN A 68 12.392 -7.320 -10.322 1.00 0.00 H new ATOM 0 HB2 ASN A 68 12.804 -8.998 -8.515 1.00 0.00 H new ATOM 0 HB3 ASN A 68 11.078 -9.138 -8.245 1.00 0.00 H new ATOM 0 HD21 ASN A 68 10.861 -11.807 -10.533 1.00 0.00 H new ATOM 0 HD22 ASN A 68 10.482 -11.143 -8.941 1.00 0.00 H new ATOM 798 N VAL A 69 9.220 -7.183 -9.341 1.00 0.00 N ATOM 799 CA VAL A 69 7.832 -6.939 -9.767 1.00 0.00 C ATOM 800 C VAL A 69 7.731 -5.553 -10.436 1.00 0.00 C ATOM 801 O VAL A 69 7.012 -5.378 -11.396 1.00 0.00 O ATOM 802 CB VAL A 69 6.818 -7.015 -8.569 1.00 0.00 C ATOM 803 CG1 VAL A 69 5.360 -6.889 -9.075 1.00 0.00 C ATOM 804 CG2 VAL A 69 7.018 -8.304 -7.737 1.00 0.00 C ATOM 0 H VAL A 69 9.343 -7.189 -8.329 1.00 0.00 H new ATOM 0 HA VAL A 69 7.566 -7.724 -10.475 1.00 0.00 H new ATOM 0 HB VAL A 69 7.018 -6.172 -7.908 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.675 -6.944 -8.229 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.233 -5.933 -9.583 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.145 -7.701 -9.770 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.300 -8.323 -6.917 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.865 -9.175 -8.374 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.030 -8.323 -7.333 1.00 0.00 H new ATOM 814 N ALA A 70 8.523 -4.585 -9.941 1.00 0.00 N ATOM 815 CA ALA A 70 8.562 -3.201 -10.474 1.00 0.00 C ATOM 816 C ALA A 70 9.333 -3.135 -11.811 1.00 0.00 C ATOM 817 O ALA A 70 9.456 -2.068 -12.415 1.00 0.00 O ATOM 818 CB ALA A 70 9.176 -2.264 -9.420 1.00 0.00 C ATOM 0 H ALA A 70 9.158 -4.736 -9.157 1.00 0.00 H new ATOM 0 HA ALA A 70 7.544 -2.873 -10.683 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.205 -1.247 -9.810 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.570 -2.288 -8.515 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.189 -2.592 -9.187 1.00 0.00 H new ATOM 824 N LYS A 71 9.866 -4.283 -12.243 1.00 0.00 N ATOM 825 CA LYS A 71 10.485 -4.442 -13.557 1.00 0.00 C ATOM 826 C LYS A 71 9.461 -5.007 -14.569 1.00 0.00 C ATOM 827 O LYS A 71 9.290 -4.457 -15.663 1.00 0.00 O ATOM 828 CB LYS A 71 11.726 -5.358 -13.429 1.00 0.00 C ATOM 829 CG LYS A 71 12.552 -5.512 -14.725 1.00 0.00 C ATOM 830 CD LYS A 71 13.849 -6.319 -14.521 1.00 0.00 C ATOM 831 CE LYS A 71 14.788 -5.660 -13.493 1.00 0.00 C ATOM 832 NZ LYS A 71 16.082 -6.361 -13.388 1.00 0.00 N ATOM 0 H LYS A 71 9.878 -5.135 -11.682 1.00 0.00 H new ATOM 0 HA LYS A 71 10.810 -3.471 -13.932 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.374 -4.962 -12.647 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.399 -6.346 -13.103 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.941 -6.003 -15.482 1.00 0.00 H new ATOM 0 HG3 LYS A 71 12.803 -4.523 -15.109 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.600 -7.327 -14.189 1.00 0.00 H new ATOM 0 HD3 LYS A 71 14.368 -6.417 -15.475 1.00 0.00 H new ATOM 0 HE2 LYS A 71 14.961 -4.622 -13.776 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.303 -5.648 -12.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 16.680 -5.882 -12.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 15.921 -7.345 -13.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 16.558 -6.351 -14.312 1.00 0.00 H new ATOM 846 N THR A 72 8.769 -6.097 -14.183 1.00 0.00 N ATOM 847 CA THR A 72 7.870 -6.853 -15.083 1.00 0.00 C ATOM 848 C THR A 72 6.459 -6.205 -15.174 1.00 0.00 C ATOM 849 O THR A 72 5.810 -6.233 -16.228 1.00 0.00 O ATOM 850 CB THR A 72 7.782 -8.360 -14.627 1.00 0.00 C ATOM 851 OG1 THR A 72 7.070 -9.145 -15.595 1.00 0.00 O ATOM 852 CG2 THR A 72 7.121 -8.536 -13.243 1.00 0.00 C ATOM 0 H THR A 72 8.816 -6.480 -13.239 1.00 0.00 H new ATOM 0 HA THR A 72 8.295 -6.819 -16.086 1.00 0.00 H new ATOM 0 HB THR A 72 8.811 -8.709 -14.547 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.028 -10.077 -15.294 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.090 -9.595 -12.986 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.699 -7.997 -12.492 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.106 -8.140 -13.272 1.00 0.00 H new ATOM 860 N ALA A 73 6.016 -5.611 -14.055 1.00 0.00 N ATOM 861 CA ALA A 73 4.706 -4.954 -13.937 1.00 0.00 C ATOM 862 C ALA A 73 4.843 -3.463 -14.267 1.00 0.00 C ATOM 863 O ALA A 73 5.595 -2.737 -13.601 1.00 0.00 O ATOM 864 CB ALA A 73 4.112 -5.156 -12.525 1.00 0.00 C ATOM 0 H ALA A 73 6.565 -5.573 -13.196 1.00 0.00 H new ATOM 0 HA ALA A 73 4.019 -5.409 -14.650 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.143 -4.661 -12.464 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.988 -6.221 -12.332 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.786 -4.729 -11.782 1.00 0.00 H new ATOM 870 N ASN A 74 4.143 -3.026 -15.324 1.00 0.00 N ATOM 871 CA ASN A 74 4.046 -1.601 -15.695 1.00 0.00 C ATOM 872 C ASN A 74 3.061 -0.877 -14.757 1.00 0.00 C ATOM 873 O ASN A 74 2.325 -1.513 -14.001 1.00 0.00 O ATOM 874 CB ASN A 74 3.616 -1.433 -17.186 1.00 0.00 C ATOM 875 CG ASN A 74 2.240 -2.037 -17.512 1.00 0.00 C ATOM 876 OD1 ASN A 74 1.854 -3.064 -16.962 1.00 0.00 O ATOM 877 ND2 ASN A 74 1.488 -1.408 -18.403 1.00 0.00 N ATOM 0 H ASN A 74 3.627 -3.647 -15.947 1.00 0.00 H new ATOM 0 HA ASN A 74 5.032 -1.150 -15.585 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.603 -0.371 -17.432 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.366 -1.899 -17.825 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.568 -1.776 -18.644 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.829 -0.556 -18.848 1.00 0.00 H new ATOM 884 N LYS A 75 3.051 0.454 -14.817 1.00 0.00 N ATOM 885 CA LYS A 75 2.244 1.284 -13.915 1.00 0.00 C ATOM 886 C LYS A 75 0.740 1.194 -14.249 1.00 0.00 C ATOM 887 O LYS A 75 -0.102 1.250 -13.347 1.00 0.00 O ATOM 888 CB LYS A 75 2.752 2.737 -13.956 1.00 0.00 C ATOM 889 CG LYS A 75 1.981 3.702 -13.037 1.00 0.00 C ATOM 890 CD LYS A 75 2.754 4.996 -12.760 1.00 0.00 C ATOM 891 CE LYS A 75 3.974 4.780 -11.847 1.00 0.00 C ATOM 892 NZ LYS A 75 4.636 6.058 -11.516 1.00 0.00 N ATOM 0 H LYS A 75 3.600 0.989 -15.490 1.00 0.00 H new ATOM 0 HA LYS A 75 2.356 0.905 -12.899 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.805 2.750 -13.675 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.691 3.103 -14.981 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.023 3.947 -13.495 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.764 3.203 -12.092 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.085 5.425 -13.706 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.085 5.722 -12.298 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.659 4.284 -10.929 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.686 4.117 -12.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.019 6.010 -10.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.410 6.232 -12.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.945 6.833 -11.576 1.00 0.00 H new ATOM 906 N ASP A 76 0.420 1.013 -15.544 1.00 0.00 N ATOM 907 CA ASP A 76 -0.978 0.849 -16.024 1.00 0.00 C ATOM 908 C ASP A 76 -1.653 -0.397 -15.395 1.00 0.00 C ATOM 909 O ASP A 76 -2.874 -0.442 -15.207 1.00 0.00 O ATOM 910 CB ASP A 76 -1.015 0.780 -17.574 1.00 0.00 C ATOM 911 CG ASP A 76 -2.446 0.765 -18.158 1.00 0.00 C ATOM 912 OD1 ASP A 76 -3.136 1.804 -18.065 1.00 0.00 O ATOM 913 OD2 ASP A 76 -2.879 -0.277 -18.704 1.00 0.00 O ATOM 0 H ASP A 76 1.115 0.975 -16.289 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.547 1.722 -15.704 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.474 1.635 -17.981 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.488 -0.116 -17.902 1.00 0.00 H new ATOM 918 N HIS A 77 -0.818 -1.385 -15.068 1.00 0.00 N ATOM 919 CA HIS A 77 -1.189 -2.585 -14.319 1.00 0.00 C ATOM 920 C HIS A 77 -1.466 -2.220 -12.836 1.00 0.00 C ATOM 921 O HIS A 77 -2.518 -2.569 -12.290 1.00 0.00 O ATOM 922 CB HIS A 77 -0.016 -3.595 -14.475 1.00 0.00 C ATOM 923 CG HIS A 77 -0.105 -4.861 -13.684 1.00 0.00 C ATOM 924 ND1 HIS A 77 -0.604 -6.031 -14.201 1.00 0.00 N ATOM 925 CD2 HIS A 77 0.299 -5.145 -12.429 1.00 0.00 C ATOM 926 CE1 HIS A 77 -0.498 -6.981 -13.304 1.00 0.00 C ATOM 927 NE2 HIS A 77 0.050 -6.463 -12.213 1.00 0.00 N ATOM 0 H HIS A 77 0.169 -1.370 -15.327 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.106 -3.035 -14.699 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.067 -3.859 -15.529 1.00 0.00 H new ATOM 0 HB3 HIS A 77 0.908 -3.087 -14.200 1.00 0.00 H new ATOM 0 HD2 HIS A 77 0.739 -4.453 -11.726 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -0.804 -8.009 -13.431 1.00 0.00 H new ATOM 0 HE2 HIS A 77 0.252 -6.971 -11.352 1.00 0.00 H new ATOM 936 N LEU A 78 -0.532 -1.466 -12.229 1.00 0.00 N ATOM 937 CA LEU A 78 -0.502 -1.212 -10.764 1.00 0.00 C ATOM 938 C LEU A 78 -1.677 -0.361 -10.268 1.00 0.00 C ATOM 939 O LEU A 78 -2.286 -0.696 -9.247 1.00 0.00 O ATOM 940 CB LEU A 78 0.817 -0.520 -10.360 1.00 0.00 C ATOM 941 CG LEU A 78 2.111 -1.279 -10.730 1.00 0.00 C ATOM 942 CD1 LEU A 78 3.335 -0.511 -10.241 1.00 0.00 C ATOM 943 CD2 LEU A 78 2.088 -2.726 -10.202 1.00 0.00 C ATOM 0 H LEU A 78 0.228 -1.011 -12.735 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.582 -2.192 -10.293 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.848 0.464 -10.828 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.807 -0.360 -9.282 1.00 0.00 H new ATOM 0 HG LEU A 78 2.171 -1.346 -11.816 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.239 -1.058 -10.509 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.356 0.474 -10.706 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.286 -0.400 -9.158 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.014 -3.230 -10.481 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.993 -2.716 -9.116 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.241 -3.258 -10.635 1.00 0.00 H new ATOM 955 N VAL A 79 -1.972 0.739 -10.996 1.00 0.00 N ATOM 956 CA VAL A 79 -3.044 1.699 -10.636 1.00 0.00 C ATOM 957 C VAL A 79 -4.411 0.978 -10.583 1.00 0.00 C ATOM 958 O VAL A 79 -5.198 1.180 -9.654 1.00 0.00 O ATOM 959 CB VAL A 79 -3.092 2.907 -11.654 1.00 0.00 C ATOM 960 CG1 VAL A 79 -4.208 3.922 -11.290 1.00 0.00 C ATOM 961 CG2 VAL A 79 -1.705 3.602 -11.760 1.00 0.00 C ATOM 0 H VAL A 79 -1.474 0.988 -11.851 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.822 2.103 -9.648 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.338 2.500 -12.635 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.208 4.737 -12.013 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.176 3.421 -11.308 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.025 4.322 -10.293 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -1.766 4.430 -12.467 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.413 3.982 -10.781 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.963 2.883 -12.107 1.00 0.00 H new ATOM 971 N THR A 80 -4.633 0.098 -11.575 1.00 0.00 N ATOM 972 CA THR A 80 -5.853 -0.726 -11.680 1.00 0.00 C ATOM 973 C THR A 80 -5.994 -1.681 -10.480 1.00 0.00 C ATOM 974 O THR A 80 -7.073 -1.774 -9.894 1.00 0.00 O ATOM 975 CB THR A 80 -5.855 -1.551 -13.009 1.00 0.00 C ATOM 976 OG1 THR A 80 -5.596 -0.676 -14.115 1.00 0.00 O ATOM 977 CG2 THR A 80 -7.192 -2.287 -13.240 1.00 0.00 C ATOM 0 H THR A 80 -3.968 -0.063 -12.331 1.00 0.00 H new ATOM 0 HA THR A 80 -6.703 -0.044 -11.681 1.00 0.00 H new ATOM 0 HB THR A 80 -5.073 -2.306 -12.927 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.645 -0.717 -14.349 1.00 0.00 H new ATOM 0 HG21 THR A 80 -7.143 -2.845 -14.175 1.00 0.00 H new ATOM 0 HG22 THR A 80 -7.375 -2.976 -12.415 1.00 0.00 H new ATOM 0 HG23 THR A 80 -8.003 -1.560 -13.293 1.00 0.00 H new ATOM 985 N ALA A 81 -4.884 -2.342 -10.093 1.00 0.00 N ATOM 986 CA ALA A 81 -4.853 -3.297 -8.963 1.00 0.00 C ATOM 987 C ALA A 81 -5.103 -2.570 -7.629 1.00 0.00 C ATOM 988 O ALA A 81 -5.813 -3.081 -6.756 1.00 0.00 O ATOM 989 CB ALA A 81 -3.495 -4.025 -8.913 1.00 0.00 C ATOM 0 H ALA A 81 -3.982 -2.229 -10.555 1.00 0.00 H new ATOM 0 HA ALA A 81 -5.645 -4.030 -9.117 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.487 -4.724 -8.077 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.340 -4.571 -9.844 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.696 -3.295 -8.783 1.00 0.00 H new ATOM 995 N TYR A 82 -4.517 -1.370 -7.518 1.00 0.00 N ATOM 996 CA TYR A 82 -4.573 -0.526 -6.314 1.00 0.00 C ATOM 997 C TYR A 82 -6.016 -0.098 -6.005 1.00 0.00 C ATOM 998 O TYR A 82 -6.512 -0.335 -4.913 1.00 0.00 O ATOM 999 CB TYR A 82 -3.668 0.706 -6.528 1.00 0.00 C ATOM 1000 CG TYR A 82 -3.614 1.714 -5.367 1.00 0.00 C ATOM 1001 CD1 TYR A 82 -2.779 1.513 -4.276 1.00 0.00 C ATOM 1002 CD2 TYR A 82 -4.361 2.890 -5.395 1.00 0.00 C ATOM 1003 CE1 TYR A 82 -2.703 2.439 -3.265 1.00 0.00 C ATOM 1004 CE2 TYR A 82 -4.261 3.828 -4.389 1.00 0.00 C ATOM 1005 CZ TYR A 82 -3.430 3.589 -3.330 1.00 0.00 C ATOM 1006 OH TYR A 82 -3.291 4.515 -2.336 1.00 0.00 O ATOM 0 H TYR A 82 -3.980 -0.950 -8.277 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.216 -1.097 -5.457 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.655 0.357 -6.727 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.007 1.230 -7.422 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -2.181 0.615 -4.222 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.032 3.071 -6.222 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -2.064 2.255 -2.414 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -4.834 4.742 -4.437 1.00 0.00 H new ATOM 0 HH TYR A 82 -2.350 4.567 -2.067 1.00 0.00 H new ATOM 1016 N ASN A 83 -6.686 0.514 -6.995 1.00 0.00 N ATOM 1017 CA ASN A 83 -8.064 1.034 -6.837 1.00 0.00 C ATOM 1018 C ASN A 83 -9.077 -0.123 -6.680 1.00 0.00 C ATOM 1019 O ASN A 83 -10.036 -0.015 -5.904 1.00 0.00 O ATOM 1020 CB ASN A 83 -8.439 1.963 -8.018 1.00 0.00 C ATOM 1021 CG ASN A 83 -7.683 3.309 -7.988 1.00 0.00 C ATOM 1022 OD1 ASN A 83 -8.020 4.202 -7.215 1.00 0.00 O ATOM 1023 ND2 ASN A 83 -6.685 3.481 -8.847 1.00 0.00 N ATOM 0 H ASN A 83 -6.295 0.664 -7.925 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.103 1.628 -5.924 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -8.225 1.453 -8.957 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -9.512 2.154 -7.997 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.182 4.368 -8.873 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.421 2.726 -9.480 1.00 0.00 H new ATOM 1030 N HIS A 84 -8.820 -1.242 -7.399 1.00 0.00 N ATOM 1031 CA HIS A 84 -9.606 -2.495 -7.287 1.00 0.00 C ATOM 1032 C HIS A 84 -9.466 -3.102 -5.871 1.00 0.00 C ATOM 1033 O HIS A 84 -10.408 -3.732 -5.374 1.00 0.00 O ATOM 1034 CB HIS A 84 -9.140 -3.519 -8.365 1.00 0.00 C ATOM 1035 CG HIS A 84 -9.875 -4.841 -8.366 1.00 0.00 C ATOM 1036 ND1 HIS A 84 -10.933 -5.111 -9.203 1.00 0.00 N ATOM 1037 CD2 HIS A 84 -9.693 -5.966 -7.631 1.00 0.00 C ATOM 1038 CE1 HIS A 84 -11.369 -6.337 -8.984 1.00 0.00 C ATOM 1039 NE2 HIS A 84 -10.636 -6.876 -8.034 1.00 0.00 N ATOM 0 H HIS A 84 -8.059 -1.301 -8.076 1.00 0.00 H new ATOM 0 HA HIS A 84 -10.657 -2.261 -7.456 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -9.250 -3.061 -9.348 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -8.077 -3.714 -8.221 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -8.943 -6.117 -6.869 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -12.189 -6.817 -9.498 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -10.750 -7.817 -7.658 1.00 0.00 H new ATOM 1048 N LEU A 85 -8.303 -2.878 -5.230 1.00 0.00 N ATOM 1049 CA LEU A 85 -7.982 -3.443 -3.901 1.00 0.00 C ATOM 1050 C LEU A 85 -9.013 -2.953 -2.872 1.00 0.00 C ATOM 1051 O LEU A 85 -9.620 -3.746 -2.167 1.00 0.00 O ATOM 1052 CB LEU A 85 -6.530 -3.035 -3.483 1.00 0.00 C ATOM 1053 CG LEU A 85 -5.709 -3.987 -2.539 1.00 0.00 C ATOM 1054 CD1 LEU A 85 -4.313 -3.404 -2.224 1.00 0.00 C ATOM 1055 CD2 LEU A 85 -6.438 -4.328 -1.247 1.00 0.00 C ATOM 0 H LEU A 85 -7.557 -2.300 -5.618 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.027 -4.531 -3.944 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.951 -2.900 -4.397 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.590 -2.062 -2.996 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.589 -4.918 -3.094 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.773 -4.088 -1.569 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.756 -3.273 -3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.425 -2.439 -1.729 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.816 -4.988 -0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.643 -3.412 -0.692 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.378 -4.828 -1.481 1.00 0.00 H new ATOM 1067 N PHE A 86 -9.200 -1.637 -2.831 1.00 0.00 N ATOM 1068 CA PHE A 86 -10.135 -0.972 -1.896 1.00 0.00 C ATOM 1069 C PHE A 86 -11.602 -1.211 -2.317 1.00 0.00 C ATOM 1070 O PHE A 86 -12.492 -1.306 -1.461 1.00 0.00 O ATOM 1071 CB PHE A 86 -9.822 0.536 -1.840 1.00 0.00 C ATOM 1072 CG PHE A 86 -8.339 0.829 -1.634 1.00 0.00 C ATOM 1073 CD1 PHE A 86 -7.689 0.502 -0.439 1.00 0.00 C ATOM 1074 CD2 PHE A 86 -7.589 1.395 -2.651 1.00 0.00 C ATOM 1075 CE1 PHE A 86 -6.335 0.749 -0.288 1.00 0.00 C ATOM 1076 CE2 PHE A 86 -6.254 1.632 -2.491 1.00 0.00 C ATOM 1077 CZ PHE A 86 -5.628 1.313 -1.315 1.00 0.00 C ATOM 0 H PHE A 86 -8.709 -0.988 -3.445 1.00 0.00 H new ATOM 0 HA PHE A 86 -10.004 -1.401 -0.902 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.154 1.005 -2.766 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -10.393 0.990 -1.030 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -8.247 0.054 0.370 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -8.067 1.653 -3.585 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -5.838 0.497 0.637 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -5.687 2.074 -3.297 1.00 0.00 H new ATOM 0 HZ PHE A 86 -4.572 1.507 -1.198 1.00 0.00 H new ATOM 1087 N GLU A 87 -11.814 -1.328 -3.646 1.00 0.00 N ATOM 1088 CA GLU A 87 -13.144 -1.498 -4.266 1.00 0.00 C ATOM 1089 C GLU A 87 -13.839 -2.785 -3.780 1.00 0.00 C ATOM 1090 O GLU A 87 -15.038 -2.785 -3.484 1.00 0.00 O ATOM 1091 CB GLU A 87 -12.990 -1.540 -5.813 1.00 0.00 C ATOM 1092 CG GLU A 87 -14.299 -1.693 -6.607 1.00 0.00 C ATOM 1093 CD GLU A 87 -15.198 -0.449 -6.558 1.00 0.00 C ATOM 1094 OE1 GLU A 87 -14.941 0.507 -7.322 1.00 0.00 O ATOM 1095 OE2 GLU A 87 -16.172 -0.426 -5.772 1.00 0.00 O ATOM 0 H GLU A 87 -11.055 -1.307 -4.327 1.00 0.00 H new ATOM 0 HA GLU A 87 -13.765 -0.652 -3.972 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.495 -0.624 -6.136 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.330 -2.368 -6.072 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -14.059 -1.917 -7.647 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -14.853 -2.547 -6.217 1.00 0.00 H new ATOM 1102 N THR A 88 -13.060 -3.872 -3.677 1.00 0.00 N ATOM 1103 CA THR A 88 -13.556 -5.217 -3.320 1.00 0.00 C ATOM 1104 C THR A 88 -12.887 -5.752 -2.035 1.00 0.00 C ATOM 1105 O THR A 88 -13.176 -6.878 -1.621 1.00 0.00 O ATOM 1106 CB THR A 88 -13.325 -6.204 -4.522 1.00 0.00 C ATOM 1107 OG1 THR A 88 -12.004 -6.029 -5.049 1.00 0.00 O ATOM 1108 CG2 THR A 88 -14.344 -5.993 -5.663 1.00 0.00 C ATOM 0 H THR A 88 -12.054 -3.845 -3.841 1.00 0.00 H new ATOM 0 HA THR A 88 -14.624 -5.143 -3.117 1.00 0.00 H new ATOM 0 HB THR A 88 -13.456 -7.213 -4.132 1.00 0.00 H new ATOM 0 HG1 THR A 88 -11.962 -6.399 -5.955 1.00 0.00 H new ATOM 0 HG21 THR A 88 -14.140 -6.699 -6.468 1.00 0.00 H new ATOM 0 HG22 THR A 88 -15.353 -6.155 -5.284 1.00 0.00 H new ATOM 0 HG23 THR A 88 -14.259 -4.975 -6.043 1.00 0.00 H new ATOM 1116 N LYS A 89 -12.039 -4.915 -1.403 1.00 0.00 N ATOM 1117 CA LYS A 89 -11.325 -5.231 -0.146 1.00 0.00 C ATOM 1118 C LYS A 89 -10.527 -6.555 -0.255 1.00 0.00 C ATOM 1119 O LYS A 89 -10.886 -7.572 0.343 1.00 0.00 O ATOM 1120 CB LYS A 89 -12.298 -5.208 1.069 1.00 0.00 C ATOM 1121 CG LYS A 89 -12.955 -3.832 1.315 1.00 0.00 C ATOM 1122 CD LYS A 89 -13.923 -3.834 2.519 1.00 0.00 C ATOM 1123 CE LYS A 89 -13.233 -4.199 3.847 1.00 0.00 C ATOM 1124 NZ LYS A 89 -14.171 -4.152 4.995 1.00 0.00 N ATOM 0 H LYS A 89 -11.826 -3.983 -1.758 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.585 -4.450 0.028 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.080 -5.951 0.910 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -11.753 -5.505 1.965 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -12.176 -3.088 1.483 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.498 -3.529 0.420 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -14.380 -2.849 2.612 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -14.729 -4.542 2.328 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.805 -5.199 3.770 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.406 -3.511 4.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.665 -4.404 5.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -14.560 -3.192 5.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -14.947 -4.827 4.837 1.00 0.00 H new ATOM 1138 N ARG A 90 -9.443 -6.515 -1.059 1.00 0.00 N ATOM 1139 CA ARG A 90 -8.540 -7.677 -1.310 1.00 0.00 C ATOM 1140 C ARG A 90 -7.523 -7.890 -0.165 1.00 0.00 C ATOM 1141 O ARG A 90 -6.541 -8.627 -0.335 1.00 0.00 O ATOM 1142 CB ARG A 90 -7.768 -7.448 -2.640 1.00 0.00 C ATOM 1143 CG ARG A 90 -8.640 -7.025 -3.835 1.00 0.00 C ATOM 1144 CD ARG A 90 -9.697 -8.065 -4.187 1.00 0.00 C ATOM 1145 NE ARG A 90 -9.108 -9.313 -4.718 1.00 0.00 N ATOM 1146 CZ ARG A 90 -9.656 -10.534 -4.631 1.00 0.00 C ATOM 1147 NH1 ARG A 90 -10.806 -10.724 -4.016 1.00 0.00 N ATOM 1148 NH2 ARG A 90 -9.036 -11.559 -5.179 1.00 0.00 N ATOM 0 H ARG A 90 -9.161 -5.672 -1.560 1.00 0.00 H new ATOM 0 HA ARG A 90 -9.163 -8.570 -1.370 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.009 -6.683 -2.475 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -7.243 -8.367 -2.900 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -9.129 -6.078 -3.606 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -8.002 -6.853 -4.702 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.287 -8.294 -3.299 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.382 -7.647 -4.925 1.00 0.00 H new ATOM 0 HE ARG A 90 -8.207 -9.239 -5.191 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -11.296 -9.934 -3.595 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.206 -11.661 -3.961 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.149 -11.419 -5.663 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.443 -12.492 -5.119 1.00 0.00 H new ATOM 1162 N PHE A 91 -7.772 -7.236 0.982 1.00 0.00 N ATOM 1163 CA PHE A 91 -6.884 -7.286 2.164 1.00 0.00 C ATOM 1164 C PHE A 91 -6.834 -8.711 2.753 1.00 0.00 C ATOM 1165 O PHE A 91 -7.706 -9.541 2.487 1.00 0.00 O ATOM 1166 CB PHE A 91 -7.315 -6.313 3.320 1.00 0.00 C ATOM 1167 CG PHE A 91 -8.034 -5.018 2.941 1.00 0.00 C ATOM 1168 CD1 PHE A 91 -7.663 -4.262 1.848 1.00 0.00 C ATOM 1169 CD2 PHE A 91 -9.087 -4.558 3.721 1.00 0.00 C ATOM 1170 CE1 PHE A 91 -8.317 -3.085 1.531 1.00 0.00 C ATOM 1171 CE2 PHE A 91 -9.747 -3.380 3.412 1.00 0.00 C ATOM 1172 CZ PHE A 91 -9.362 -2.645 2.313 1.00 0.00 C ATOM 0 H PHE A 91 -8.598 -6.654 1.120 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.908 -6.972 1.795 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.963 -6.868 3.999 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -6.420 -6.045 3.882 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.845 -4.596 1.227 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.397 -5.129 4.584 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -8.008 -2.511 0.670 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -10.563 -3.038 4.032 1.00 0.00 H new ATOM 0 HZ PHE A 91 -9.877 -1.728 2.066 1.00 0.00 H new ATOM 1182 N LYS A 92 -5.822 -8.947 3.581 1.00 0.00 N ATOM 1183 CA LYS A 92 -5.661 -10.203 4.325 1.00 0.00 C ATOM 1184 C LYS A 92 -6.335 -10.066 5.711 1.00 0.00 C ATOM 1185 O LYS A 92 -5.790 -9.350 6.585 1.00 0.00 O ATOM 1186 CB LYS A 92 -4.153 -10.560 4.430 1.00 0.00 C ATOM 1187 CG LYS A 92 -3.844 -11.858 5.209 1.00 0.00 C ATOM 1188 CD LYS A 92 -2.392 -12.349 5.018 1.00 0.00 C ATOM 1189 CE LYS A 92 -2.105 -12.781 3.567 1.00 0.00 C ATOM 1190 NZ LYS A 92 -3.005 -13.875 3.114 1.00 0.00 N ATOM 1191 OXT LYS A 92 -7.429 -10.643 5.914 1.00 0.00 O ATOM 0 H LYS A 92 -5.081 -8.269 3.760 1.00 0.00 H new ATOM 0 HA LYS A 92 -6.150 -11.023 3.800 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.746 -10.652 3.423 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.631 -9.732 4.911 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.028 -11.690 6.270 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -4.531 -12.640 4.887 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -1.702 -11.554 5.301 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.204 -13.188 5.688 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -2.219 -11.922 2.905 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.069 -13.109 3.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -2.450 -14.592 2.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -3.462 -14.313 3.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.733 -13.486 2.481 1.00 0.00 H new TER 1205 LYS A 92