USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 595 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 CYS N :NH3+ -157:sc= 0.614 (180deg=0.24) USER MOD Single : A 1 CYS SG : rot 35:sc= 0.537 USER MOD Single : A 2 SER OG : rot 180:sc= -0.434 USER MOD Single : A 3 ASN :FLIP amide:sc= -0.604 F(o=-2.6,f=-0.6) USER MOD Single : A 5 LYS NZ :NH3+ -156:sc= -0.157 (180deg=-0.895) USER MOD Single : A 10 HIS :FLIP no HD1:sc= -1.11 F(o=-2.3,f=-1.1) USER MOD Single : A 19 LYS NZ :NH3+ 131:sc= -0.783 (180deg=-1.88!) USER MOD Single : A 20 LYS NZ :NH3+ -162:sc= -0.127 (180deg=-0.864) USER MOD Single : A 22 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0544) USER MOD Single : A 24 SER OG : rot 145:sc= -1.29 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -75:sc= 0.255! USER MOD Single : A 31 GLN :FLIP amide:sc= -0.0069 F(o=-0.81,f=-0.0069) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0227 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -6.44! C(o=-6.4!,f=-6.4!) USER MOD Single : A 46 HIS :FLIP no HD1:sc= -0.0462 F(o=-1.4,f=-0.046) USER MOD Single : A 49 LYS NZ :NH3+ -116:sc= -3.02! (180deg=-5.15!) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.169 F(o=-2.2!,f=-0.17) USER MOD Single : A 56 ASN :FLIP amide:sc= -1.22 F(o=-3.5!,f=-1.2) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 61 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00571) USER MOD Single : A 68 SER OG : rot -69:sc= -0.921! USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -6.56! C(o=-6.6!,f=-8.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 8.641 21.401 4.205 1.00 0.00 N ATOM 2 CA CYS A 1 7.384 21.191 3.432 1.00 0.00 C ATOM 3 C CYS A 1 7.422 19.823 2.743 1.00 0.00 C ATOM 4 O CYS A 1 8.364 19.491 2.053 1.00 0.00 O ATOM 5 CB CYS A 1 7.248 22.291 2.375 1.00 0.00 C ATOM 6 SG CYS A 1 8.761 22.366 1.381 1.00 0.00 S ATOM 0 H1 CYS A 1 8.474 22.101 4.956 1.00 0.00 H new ATOM 0 H2 CYS A 1 8.941 20.501 4.631 1.00 0.00 H new ATOM 0 H3 CYS A 1 9.386 21.748 3.568 1.00 0.00 H new ATOM 0 HA CYS A 1 6.532 21.228 4.111 1.00 0.00 H new ATOM 0 HB2 CYS A 1 6.389 22.090 1.734 1.00 0.00 H new ATOM 0 HB3 CYS A 1 7.069 23.252 2.856 1.00 0.00 H new ATOM 0 HG CYS A 1 9.247 21.169 1.240 1.00 0.00 H new ATOM 14 N SER A 2 6.393 19.033 2.919 1.00 0.00 N ATOM 15 CA SER A 2 6.349 17.686 2.273 1.00 0.00 C ATOM 16 C SER A 2 7.596 16.878 2.645 1.00 0.00 C ATOM 17 O SER A 2 8.562 17.403 3.161 1.00 0.00 O ATOM 18 CB SER A 2 6.279 17.852 0.748 1.00 0.00 C ATOM 19 OG SER A 2 6.936 16.759 0.122 1.00 0.00 O ATOM 0 H SER A 2 5.577 19.265 3.486 1.00 0.00 H new ATOM 0 HA SER A 2 5.466 17.153 2.625 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.239 17.899 0.424 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.748 18.790 0.452 1.00 0.00 H new ATOM 0 HG SER A 2 6.890 16.864 -0.851 1.00 0.00 H new ATOM 25 N ASN A 3 7.571 15.593 2.380 1.00 0.00 N ATOM 26 CA ASN A 3 8.737 14.710 2.704 1.00 0.00 C ATOM 27 C ASN A 3 9.448 14.308 1.408 1.00 0.00 C ATOM 28 O ASN A 3 10.626 14.016 1.405 1.00 0.00 O ATOM 29 CB ASN A 3 8.233 13.448 3.411 1.00 0.00 C ATOM 30 CG ASN A 3 9.417 12.525 3.711 1.00 0.00 C ATOM 31 OD1 ASN A 3 10.623 13.026 3.761 1.00 0.00 O flip ATOM 32 ND2 ASN A 3 9.244 11.338 3.899 1.00 0.00 N flip ATOM 0 H ASN A 3 6.782 15.113 1.947 1.00 0.00 H new ATOM 0 HA ASN A 3 9.431 15.246 3.352 1.00 0.00 H new ATOM 0 HB2 ASN A 3 7.723 13.716 4.336 1.00 0.00 H new ATOM 0 HB3 ASN A 3 7.506 12.932 2.784 1.00 0.00 H new ATOM 0 HD21 ASN A 3 8.303 10.947 3.860 1.00 0.00 H new ATOM 0 HD22 ASN A 3 10.040 10.732 4.096 1.00 0.00 H new ATOM 39 N GLU A 4 8.734 14.286 0.311 1.00 0.00 N ATOM 40 CA GLU A 4 9.353 13.901 -0.992 1.00 0.00 C ATOM 41 C GLU A 4 9.662 12.399 -0.982 1.00 0.00 C ATOM 42 O GLU A 4 9.857 11.803 0.059 1.00 0.00 O ATOM 43 CB GLU A 4 10.649 14.709 -1.215 1.00 0.00 C ATOM 44 CG GLU A 4 10.933 14.852 -2.720 1.00 0.00 C ATOM 45 CD GLU A 4 10.108 16.006 -3.304 1.00 0.00 C ATOM 46 OE1 GLU A 4 8.953 16.135 -2.934 1.00 0.00 O ATOM 47 OE2 GLU A 4 10.648 16.742 -4.114 1.00 0.00 O ATOM 0 H GLU A 4 7.742 14.520 0.263 1.00 0.00 H new ATOM 0 HA GLU A 4 8.660 14.120 -1.804 1.00 0.00 H new ATOM 0 HB2 GLU A 4 10.554 15.695 -0.760 1.00 0.00 H new ATOM 0 HB3 GLU A 4 11.486 14.211 -0.725 1.00 0.00 H new ATOM 0 HG2 GLU A 4 11.995 15.036 -2.882 1.00 0.00 H new ATOM 0 HG3 GLU A 4 10.688 13.923 -3.234 1.00 0.00 H new ATOM 54 N LYS A 5 9.708 11.784 -2.136 1.00 0.00 N ATOM 55 CA LYS A 5 10.003 10.321 -2.192 1.00 0.00 C ATOM 56 C LYS A 5 11.208 10.011 -1.302 1.00 0.00 C ATOM 57 O LYS A 5 11.905 10.899 -0.854 1.00 0.00 O ATOM 58 CB LYS A 5 10.312 9.914 -3.638 1.00 0.00 C ATOM 59 CG LYS A 5 11.576 10.640 -4.118 1.00 0.00 C ATOM 60 CD LYS A 5 11.648 10.618 -5.651 1.00 0.00 C ATOM 61 CE LYS A 5 11.882 9.188 -6.151 1.00 0.00 C ATOM 62 NZ LYS A 5 13.086 8.609 -5.485 1.00 0.00 N ATOM 0 H LYS A 5 9.554 12.231 -3.040 1.00 0.00 H new ATOM 0 HA LYS A 5 9.137 9.761 -1.838 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.454 8.835 -3.700 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.470 10.162 -4.284 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.571 11.670 -3.761 1.00 0.00 H new ATOM 0 HG3 LYS A 5 12.461 10.162 -3.698 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.722 11.011 -6.071 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.454 11.267 -5.994 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.008 8.572 -5.941 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.019 9.189 -7.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.481 7.852 -6.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.801 9.353 -5.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.817 8.218 -4.560 1.00 0.00 H new ATOM 76 N ALA A 6 11.455 8.759 -1.035 1.00 0.00 N ATOM 77 CA ALA A 6 12.608 8.400 -0.164 1.00 0.00 C ATOM 78 C ALA A 6 13.033 6.959 -0.448 1.00 0.00 C ATOM 79 O ALA A 6 13.920 6.708 -1.240 1.00 0.00 O ATOM 80 CB ALA A 6 12.190 8.537 1.301 1.00 0.00 C ATOM 0 H ALA A 6 10.909 7.970 -1.382 1.00 0.00 H new ATOM 0 HA ALA A 6 13.446 9.066 -0.368 1.00 0.00 H new ATOM 0 HB1 ALA A 6 13.030 8.276 1.945 1.00 0.00 H new ATOM 0 HB2 ALA A 6 11.888 9.565 1.498 1.00 0.00 H new ATOM 0 HB3 ALA A 6 11.354 7.868 1.505 1.00 0.00 H new ATOM 86 N ARG A 7 12.407 6.010 0.191 1.00 0.00 N ATOM 87 CA ARG A 7 12.772 4.579 -0.040 1.00 0.00 C ATOM 88 C ARG A 7 11.901 3.986 -1.151 1.00 0.00 C ATOM 89 O ARG A 7 12.206 4.083 -2.324 1.00 0.00 O ATOM 90 CB ARG A 7 12.549 3.761 1.250 1.00 0.00 C ATOM 91 CG ARG A 7 13.740 3.911 2.197 1.00 0.00 C ATOM 92 CD ARG A 7 13.936 5.384 2.558 1.00 0.00 C ATOM 93 NE ARG A 7 14.850 5.494 3.733 1.00 0.00 N ATOM 94 CZ ARG A 7 15.392 6.643 4.033 1.00 0.00 C ATOM 95 NH1 ARG A 7 15.158 7.689 3.288 1.00 0.00 N ATOM 96 NH2 ARG A 7 16.179 6.742 5.068 1.00 0.00 N ATOM 0 H ARG A 7 11.657 6.161 0.865 1.00 0.00 H new ATOM 0 HA ARG A 7 13.822 4.535 -0.330 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.639 4.097 1.747 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.407 2.710 1.000 1.00 0.00 H new ATOM 0 HG2 ARG A 7 13.573 3.325 3.101 1.00 0.00 H new ATOM 0 HG3 ARG A 7 14.642 3.520 1.726 1.00 0.00 H new ATOM 0 HD2 ARG A 7 14.353 5.925 1.708 1.00 0.00 H new ATOM 0 HD3 ARG A 7 12.975 5.844 2.788 1.00 0.00 H new ATOM 0 HE ARG A 7 15.051 4.671 4.302 1.00 0.00 H new ATOM 0 HH11 ARG A 7 14.552 7.608 2.472 1.00 0.00 H new ATOM 0 HH12 ARG A 7 15.581 8.587 3.522 1.00 0.00 H new ATOM 0 HH21 ARG A 7 16.371 5.922 5.643 1.00 0.00 H new ATOM 0 HH22 ARG A 7 16.603 7.640 5.303 1.00 0.00 H new ATOM 110 N ASP A 8 10.845 3.333 -0.768 1.00 0.00 N ATOM 111 CA ASP A 8 9.956 2.669 -1.758 1.00 0.00 C ATOM 112 C ASP A 8 9.052 3.661 -2.502 1.00 0.00 C ATOM 113 O ASP A 8 9.403 4.795 -2.763 1.00 0.00 O ATOM 114 CB ASP A 8 9.078 1.664 -1.019 1.00 0.00 C ATOM 115 CG ASP A 8 9.926 0.907 0.004 1.00 0.00 C ATOM 116 OD1 ASP A 8 11.116 0.767 -0.229 1.00 0.00 O ATOM 117 OD2 ASP A 8 9.371 0.481 1.003 1.00 0.00 O ATOM 0 H ASP A 8 10.554 3.229 0.204 1.00 0.00 H new ATOM 0 HA ASP A 8 10.589 2.184 -2.501 1.00 0.00 H new ATOM 0 HB2 ASP A 8 8.258 2.179 -0.519 1.00 0.00 H new ATOM 0 HB3 ASP A 8 8.631 0.965 -1.726 1.00 0.00 H new ATOM 122 N TRP A 9 7.876 3.196 -2.831 1.00 0.00 N ATOM 123 CA TRP A 9 6.870 4.008 -3.572 1.00 0.00 C ATOM 124 C TRP A 9 6.358 5.134 -2.669 1.00 0.00 C ATOM 125 O TRP A 9 5.689 4.889 -1.685 1.00 0.00 O ATOM 126 CB TRP A 9 5.690 3.085 -3.933 1.00 0.00 C ATOM 127 CG TRP A 9 6.116 2.006 -4.898 1.00 0.00 C ATOM 128 CD1 TRP A 9 7.196 1.181 -4.765 1.00 0.00 C ATOM 129 CD2 TRP A 9 5.430 1.563 -6.107 1.00 0.00 C ATOM 130 NE1 TRP A 9 7.247 0.326 -5.849 1.00 0.00 N ATOM 131 CE2 TRP A 9 6.178 0.507 -6.697 1.00 0.00 C ATOM 132 CE3 TRP A 9 4.250 1.987 -6.758 1.00 0.00 C ATOM 133 CZ2 TRP A 9 5.768 -0.109 -7.887 1.00 0.00 C ATOM 134 CZ3 TRP A 9 3.831 1.365 -7.955 1.00 0.00 C ATOM 135 CH2 TRP A 9 4.589 0.320 -8.518 1.00 0.00 C ATOM 0 H TRP A 9 7.562 2.252 -2.607 1.00 0.00 H new ATOM 0 HA TRP A 9 7.317 4.438 -4.469 1.00 0.00 H new ATOM 0 HB2 TRP A 9 5.291 2.629 -3.027 1.00 0.00 H new ATOM 0 HB3 TRP A 9 4.886 3.674 -4.374 1.00 0.00 H new ATOM 0 HD1 TRP A 9 7.898 1.195 -3.944 1.00 0.00 H new ATOM 0 HE1 TRP A 9 7.988 -0.358 -6.003 1.00 0.00 H new ATOM 0 HE3 TRP A 9 3.665 2.792 -6.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 6.355 -0.908 -8.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 2.924 1.693 -8.441 1.00 0.00 H new ATOM 0 HH2 TRP A 9 4.264 -0.151 -9.434 1.00 0.00 H new ATOM 146 N HIS A 10 6.643 6.364 -3.001 1.00 0.00 N ATOM 147 CA HIS A 10 6.147 7.493 -2.161 1.00 0.00 C ATOM 148 C HIS A 10 4.655 7.289 -1.886 1.00 0.00 C ATOM 149 O HIS A 10 4.010 6.466 -2.506 1.00 0.00 O ATOM 150 CB HIS A 10 6.354 8.819 -2.902 1.00 0.00 C ATOM 151 CG HIS A 10 5.966 9.962 -2.001 1.00 0.00 C ATOM 152 ND1 HIS A 10 4.934 10.866 -2.059 1.00 0.00 N flip ATOM 153 CD2 HIS A 10 6.684 10.281 -0.860 1.00 0.00 C flip ATOM 154 CE1 HIS A 10 5.008 11.733 -0.973 1.00 0.00 C flip ATOM 155 NE2 HIS A 10 6.080 11.337 -0.282 1.00 0.00 N flip ATOM 0 H HIS A 10 7.196 6.636 -3.814 1.00 0.00 H new ATOM 0 HA HIS A 10 6.697 7.520 -1.221 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.396 8.919 -3.207 1.00 0.00 H new ATOM 0 HB3 HIS A 10 5.753 8.838 -3.811 1.00 0.00 H new ATOM 0 HD2 HIS A 10 7.567 9.775 -0.500 1.00 0.00 H new ATOM 0 HE1 HIS A 10 4.342 12.550 -0.739 1.00 0.00 H new ATOM 0 HE2 HIS A 10 6.402 11.780 0.578 1.00 0.00 H new ATOM 163 N ARG A 11 4.098 8.027 -0.967 1.00 0.00 N ATOM 164 CA ARG A 11 2.649 7.865 -0.662 1.00 0.00 C ATOM 165 C ARG A 11 1.828 8.114 -1.932 1.00 0.00 C ATOM 166 O ARG A 11 0.789 7.520 -2.139 1.00 0.00 O ATOM 167 CB ARG A 11 2.238 8.867 0.419 1.00 0.00 C ATOM 168 CG ARG A 11 2.865 8.469 1.755 1.00 0.00 C ATOM 169 CD ARG A 11 2.348 9.399 2.854 1.00 0.00 C ATOM 170 NE ARG A 11 2.956 9.018 4.160 1.00 0.00 N ATOM 171 CZ ARG A 11 2.908 9.847 5.170 1.00 0.00 C ATOM 172 NH1 ARG A 11 2.334 11.010 5.033 1.00 0.00 N ATOM 173 NH2 ARG A 11 3.439 9.514 6.313 1.00 0.00 N ATOM 0 H ARG A 11 4.582 8.734 -0.415 1.00 0.00 H new ATOM 0 HA ARG A 11 2.465 6.852 -0.304 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.560 9.870 0.140 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.152 8.894 0.510 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.617 7.434 1.992 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.951 8.530 1.692 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.595 10.433 2.615 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.262 9.337 2.915 1.00 0.00 H new ATOM 0 HE ARG A 11 3.410 8.111 4.266 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.922 11.273 4.138 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.297 11.656 5.821 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.892 8.606 6.420 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.401 10.161 7.101 1.00 0.00 H new ATOM 187 N ALA A 12 2.289 8.989 -2.782 1.00 0.00 N ATOM 188 CA ALA A 12 1.541 9.281 -4.040 1.00 0.00 C ATOM 189 C ALA A 12 1.892 8.235 -5.098 1.00 0.00 C ATOM 190 O ALA A 12 1.118 7.971 -5.994 1.00 0.00 O ATOM 191 CB ALA A 12 1.913 10.674 -4.544 1.00 0.00 C ATOM 0 H ALA A 12 3.154 9.516 -2.661 1.00 0.00 H new ATOM 0 HA ALA A 12 0.470 9.246 -3.843 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.366 10.887 -5.463 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.654 11.415 -3.788 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.984 10.715 -4.741 1.00 0.00 H new ATOM 197 N ASP A 13 3.039 7.620 -4.996 1.00 0.00 N ATOM 198 CA ASP A 13 3.402 6.579 -5.997 1.00 0.00 C ATOM 199 C ASP A 13 2.463 5.401 -5.780 1.00 0.00 C ATOM 200 O ASP A 13 2.222 4.598 -6.658 1.00 0.00 O ATOM 201 CB ASP A 13 4.850 6.128 -5.778 1.00 0.00 C ATOM 202 CG ASP A 13 5.811 7.189 -6.324 1.00 0.00 C ATOM 203 OD1 ASP A 13 5.331 8.188 -6.835 1.00 0.00 O ATOM 204 OD2 ASP A 13 7.009 6.984 -6.221 1.00 0.00 O ATOM 0 H ASP A 13 3.734 7.792 -4.270 1.00 0.00 H new ATOM 0 HA ASP A 13 3.313 6.970 -7.011 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.035 5.969 -4.716 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.024 5.175 -6.278 1.00 0.00 H new ATOM 209 N VAL A 14 1.918 5.319 -4.602 1.00 0.00 N ATOM 210 CA VAL A 14 0.973 4.221 -4.275 1.00 0.00 C ATOM 211 C VAL A 14 -0.402 4.539 -4.872 1.00 0.00 C ATOM 212 O VAL A 14 -0.917 3.803 -5.688 1.00 0.00 O ATOM 213 CB VAL A 14 0.867 4.114 -2.748 1.00 0.00 C ATOM 214 CG1 VAL A 14 -0.249 3.143 -2.357 1.00 0.00 C ATOM 215 CG2 VAL A 14 2.198 3.609 -2.185 1.00 0.00 C ATOM 0 H VAL A 14 2.090 5.976 -3.841 1.00 0.00 H new ATOM 0 HA VAL A 14 1.328 3.278 -4.690 1.00 0.00 H new ATOM 0 HB VAL A 14 0.637 5.098 -2.339 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.311 3.078 -1.271 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.199 3.501 -2.754 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.033 2.157 -2.767 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.128 3.531 -1.100 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.422 2.629 -2.605 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.993 4.307 -2.448 1.00 0.00 H new ATOM 225 N ILE A 15 -1.004 5.624 -4.467 1.00 0.00 N ATOM 226 CA ILE A 15 -2.356 5.969 -5.003 1.00 0.00 C ATOM 227 C ILE A 15 -2.255 6.439 -6.457 1.00 0.00 C ATOM 228 O ILE A 15 -3.030 6.035 -7.295 1.00 0.00 O ATOM 229 CB ILE A 15 -2.979 7.072 -4.146 1.00 0.00 C ATOM 230 CG1 ILE A 15 -3.051 6.587 -2.690 1.00 0.00 C ATOM 231 CG2 ILE A 15 -4.389 7.380 -4.661 1.00 0.00 C ATOM 232 CD1 ILE A 15 -3.434 7.739 -1.749 1.00 0.00 C ATOM 0 H ILE A 15 -0.622 6.285 -3.791 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.985 5.079 -4.969 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.373 7.977 -4.202 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.783 5.784 -2.605 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.088 6.173 -2.392 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.835 8.166 -4.052 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.333 7.712 -5.698 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.003 6.481 -4.600 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.479 7.372 -0.724 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.687 8.530 -1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.408 8.134 -2.036 1.00 0.00 H new ATOM 244 N ALA A 16 -1.320 7.289 -6.774 1.00 0.00 N ATOM 245 CA ALA A 16 -1.213 7.751 -8.187 1.00 0.00 C ATOM 246 C ALA A 16 -1.090 6.534 -9.103 1.00 0.00 C ATOM 247 O ALA A 16 -1.840 6.368 -10.044 1.00 0.00 O ATOM 248 CB ALA A 16 0.021 8.641 -8.352 1.00 0.00 C ATOM 0 H ALA A 16 -0.634 7.680 -6.128 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.102 8.324 -8.450 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.093 8.975 -9.387 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.065 9.507 -7.696 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.915 8.075 -8.090 1.00 0.00 H new ATOM 254 N GLY A 17 -0.141 5.680 -8.832 1.00 0.00 N ATOM 255 CA GLY A 17 0.054 4.475 -9.685 1.00 0.00 C ATOM 256 C GLY A 17 -1.182 3.569 -9.641 1.00 0.00 C ATOM 257 O GLY A 17 -1.730 3.204 -10.660 1.00 0.00 O ATOM 0 H GLY A 17 0.511 5.766 -8.052 1.00 0.00 H new ATOM 0 HA2 GLY A 17 0.250 4.780 -10.713 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.929 3.921 -9.344 1.00 0.00 H new ATOM 261 N LEU A 18 -1.615 3.187 -8.472 1.00 0.00 N ATOM 262 CA LEU A 18 -2.804 2.288 -8.375 1.00 0.00 C ATOM 263 C LEU A 18 -4.045 3.016 -8.895 1.00 0.00 C ATOM 264 O LEU A 18 -4.718 2.554 -9.795 1.00 0.00 O ATOM 265 CB LEU A 18 -3.031 1.904 -6.909 1.00 0.00 C ATOM 266 CG LEU A 18 -1.977 0.882 -6.446 1.00 0.00 C ATOM 267 CD1 LEU A 18 -1.906 0.898 -4.917 1.00 0.00 C ATOM 268 CD2 LEU A 18 -2.364 -0.534 -6.900 1.00 0.00 C ATOM 0 H LEU A 18 -1.200 3.456 -7.580 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.627 1.393 -8.972 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.981 2.795 -6.283 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.030 1.484 -6.788 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.014 1.149 -6.881 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.162 0.177 -4.580 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.626 1.895 -4.576 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.880 0.634 -4.505 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.608 -1.243 -6.564 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.329 -0.803 -6.471 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.430 -0.562 -7.988 1.00 0.00 H new ATOM 280 N LYS A 19 -4.358 4.145 -8.325 1.00 0.00 N ATOM 281 CA LYS A 19 -5.564 4.900 -8.774 1.00 0.00 C ATOM 282 C LYS A 19 -5.471 5.169 -10.275 1.00 0.00 C ATOM 283 O LYS A 19 -6.420 5.607 -10.893 1.00 0.00 O ATOM 284 CB LYS A 19 -5.640 6.229 -8.019 1.00 0.00 C ATOM 285 CG LYS A 19 -7.033 6.837 -8.191 1.00 0.00 C ATOM 286 CD LYS A 19 -7.152 8.091 -7.323 1.00 0.00 C ATOM 287 CE LYS A 19 -8.618 8.518 -7.243 1.00 0.00 C ATOM 288 NZ LYS A 19 -9.425 7.415 -6.649 1.00 0.00 N ATOM 0 H LYS A 19 -3.832 4.579 -7.567 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.459 4.312 -8.569 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.429 6.071 -6.961 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.883 6.917 -8.396 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.205 7.088 -9.238 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.796 6.112 -7.908 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.765 7.893 -6.324 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.550 8.896 -7.744 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.713 9.419 -6.637 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.992 8.762 -8.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.026 7.795 -5.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.024 6.988 -7.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.789 6.691 -6.258 1.00 0.00 H new ATOM 302 N LYS A 20 -4.340 4.908 -10.871 1.00 0.00 N ATOM 303 CA LYS A 20 -4.213 5.152 -12.334 1.00 0.00 C ATOM 304 C LYS A 20 -5.309 4.377 -13.038 1.00 0.00 C ATOM 305 O LYS A 20 -5.792 4.761 -14.087 1.00 0.00 O ATOM 306 CB LYS A 20 -2.844 4.685 -12.834 1.00 0.00 C ATOM 307 CG LYS A 20 -2.692 5.049 -14.313 1.00 0.00 C ATOM 308 CD LYS A 20 -1.279 4.701 -14.782 1.00 0.00 C ATOM 309 CE LYS A 20 -1.125 5.066 -16.261 1.00 0.00 C ATOM 310 NZ LYS A 20 -2.233 4.452 -17.046 1.00 0.00 N ATOM 0 H LYS A 20 -3.506 4.540 -10.413 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.307 6.218 -12.542 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.052 5.153 -12.250 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.744 3.608 -12.701 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.428 4.509 -14.909 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.883 6.112 -14.458 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.544 5.241 -14.185 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.088 3.638 -14.638 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.137 6.149 -16.382 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.163 4.715 -16.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.976 4.434 -18.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.398 3.481 -16.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.100 5.013 -16.920 1.00 0.00 H new ATOM 324 N ARG A 21 -5.735 3.307 -12.440 1.00 0.00 N ATOM 325 CA ARG A 21 -6.837 2.511 -13.020 1.00 0.00 C ATOM 326 C ARG A 21 -8.098 2.994 -12.328 1.00 0.00 C ATOM 327 O ARG A 21 -8.650 4.016 -12.674 1.00 0.00 O ATOM 328 CB ARG A 21 -6.618 1.028 -12.709 1.00 0.00 C ATOM 329 CG ARG A 21 -5.519 0.465 -13.612 1.00 0.00 C ATOM 330 CD ARG A 21 -5.409 -1.047 -13.398 1.00 0.00 C ATOM 331 NE ARG A 21 -6.732 -1.680 -13.668 1.00 0.00 N ATOM 332 CZ ARG A 21 -6.820 -2.973 -13.819 1.00 0.00 C ATOM 333 NH1 ARG A 21 -5.753 -3.718 -13.710 1.00 0.00 N ATOM 334 NH2 ARG A 21 -7.976 -3.522 -14.074 1.00 0.00 N ATOM 0 H ARG A 21 -5.360 2.947 -11.562 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.896 2.626 -14.102 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.340 0.904 -11.662 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.545 0.475 -12.861 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.746 0.680 -14.656 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.567 0.945 -13.387 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.651 -1.465 -14.060 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.093 -1.259 -12.377 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.569 -1.101 -13.735 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.850 -3.289 -13.507 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.822 -4.729 -13.828 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.810 -2.940 -14.155 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.046 -4.533 -14.192 1.00 0.00 H new ATOM 348 N LYS A 22 -8.528 2.290 -11.325 1.00 0.00 N ATOM 349 CA LYS A 22 -9.729 2.726 -10.556 1.00 0.00 C ATOM 350 C LYS A 22 -9.610 2.161 -9.128 1.00 0.00 C ATOM 351 O LYS A 22 -10.441 1.392 -8.683 1.00 0.00 O ATOM 352 CB LYS A 22 -11.023 2.215 -11.247 1.00 0.00 C ATOM 353 CG LYS A 22 -11.692 3.339 -12.060 1.00 0.00 C ATOM 354 CD LYS A 22 -12.517 4.238 -11.131 1.00 0.00 C ATOM 355 CE LYS A 22 -12.952 5.497 -11.888 1.00 0.00 C ATOM 356 NZ LYS A 22 -13.964 5.131 -12.918 1.00 0.00 N ATOM 0 H LYS A 22 -8.099 1.424 -10.999 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.784 3.814 -10.519 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.783 1.379 -11.904 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.718 1.841 -10.495 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.933 3.930 -12.572 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.334 2.910 -12.829 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.392 3.698 -10.769 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.928 4.513 -10.256 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.371 6.225 -11.194 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.089 5.967 -12.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.335 5.995 -13.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.520 4.531 -13.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.744 4.611 -12.468 1.00 0.00 H new ATOM 370 N LEU A 23 -8.577 2.531 -8.410 1.00 0.00 N ATOM 371 CA LEU A 23 -8.395 2.013 -7.014 1.00 0.00 C ATOM 372 C LEU A 23 -8.202 3.186 -6.050 1.00 0.00 C ATOM 373 O LEU A 23 -7.580 4.177 -6.372 1.00 0.00 O ATOM 374 CB LEU A 23 -7.145 1.129 -6.938 1.00 0.00 C ATOM 375 CG LEU A 23 -7.169 0.026 -8.005 1.00 0.00 C ATOM 376 CD1 LEU A 23 -5.831 -0.713 -7.978 1.00 0.00 C ATOM 377 CD2 LEU A 23 -8.289 -0.976 -7.708 1.00 0.00 C ATOM 0 H LEU A 23 -7.850 3.171 -8.730 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.279 1.436 -6.743 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.255 1.744 -7.069 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.077 0.678 -5.948 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.341 0.477 -8.982 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.835 -1.500 -8.732 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.024 -0.012 -8.189 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.679 -1.155 -6.993 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.294 -1.753 -8.473 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.122 -1.430 -6.731 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.249 -0.460 -7.709 1.00 0.00 H new ATOM 389 N SER A 24 -8.724 3.065 -4.861 1.00 0.00 N ATOM 390 CA SER A 24 -8.570 4.150 -3.849 1.00 0.00 C ATOM 391 C SER A 24 -8.559 3.514 -2.461 1.00 0.00 C ATOM 392 O SER A 24 -9.477 2.808 -2.099 1.00 0.00 O ATOM 393 CB SER A 24 -9.746 5.124 -3.953 1.00 0.00 C ATOM 394 OG SER A 24 -10.956 4.424 -3.699 1.00 0.00 O ATOM 0 H SER A 24 -9.255 2.254 -4.544 1.00 0.00 H new ATOM 0 HA SER A 24 -7.642 4.695 -4.024 1.00 0.00 H new ATOM 0 HB2 SER A 24 -9.625 5.937 -3.237 1.00 0.00 H new ATOM 0 HB3 SER A 24 -9.774 5.575 -4.945 1.00 0.00 H new ATOM 0 HG SER A 24 -11.580 5.011 -3.224 1.00 0.00 H new ATOM 400 N LEU A 25 -7.526 3.737 -1.689 1.00 0.00 N ATOM 401 CA LEU A 25 -7.459 3.120 -0.325 1.00 0.00 C ATOM 402 C LEU A 25 -8.834 3.181 0.355 1.00 0.00 C ATOM 403 O LEU A 25 -9.155 2.366 1.197 1.00 0.00 O ATOM 404 CB LEU A 25 -6.443 3.873 0.540 1.00 0.00 C ATOM 405 CG LEU A 25 -5.059 3.880 -0.140 1.00 0.00 C ATOM 406 CD1 LEU A 25 -4.231 5.059 0.385 1.00 0.00 C ATOM 407 CD2 LEU A 25 -4.314 2.575 0.169 1.00 0.00 C ATOM 0 H LEU A 25 -6.727 4.318 -1.941 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.153 2.079 -0.432 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.781 4.897 0.702 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.371 3.403 1.521 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.199 3.974 -1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.254 5.061 -0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.747 5.993 0.163 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.103 4.962 1.463 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.338 2.590 -0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.183 2.477 1.247 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.892 1.729 -0.204 1.00 0.00 H new ATOM 419 N SER A 26 -9.648 4.137 -0.005 1.00 0.00 N ATOM 420 CA SER A 26 -10.997 4.243 0.623 1.00 0.00 C ATOM 421 C SER A 26 -11.956 3.247 -0.035 1.00 0.00 C ATOM 422 O SER A 26 -12.748 2.607 0.629 1.00 0.00 O ATOM 423 CB SER A 26 -11.535 5.664 0.443 1.00 0.00 C ATOM 424 OG SER A 26 -12.856 5.734 0.963 1.00 0.00 O ATOM 0 H SER A 26 -9.438 4.848 -0.706 1.00 0.00 H new ATOM 0 HA SER A 26 -10.916 4.016 1.686 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.891 6.377 0.957 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.532 5.936 -0.613 1.00 0.00 H new ATOM 0 HG SER A 26 -13.204 6.643 0.851 1.00 0.00 H new ATOM 430 N ALA A 27 -11.897 3.110 -1.332 1.00 0.00 N ATOM 431 CA ALA A 27 -12.811 2.150 -2.013 1.00 0.00 C ATOM 432 C ALA A 27 -12.390 0.723 -1.662 1.00 0.00 C ATOM 433 O ALA A 27 -13.207 -0.115 -1.341 1.00 0.00 O ATOM 434 CB ALA A 27 -12.735 2.350 -3.528 1.00 0.00 C ATOM 0 H ALA A 27 -11.260 3.618 -1.946 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.835 2.323 -1.682 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.405 1.646 -4.022 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -13.032 3.369 -3.776 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.713 2.178 -3.867 1.00 0.00 H new ATOM 440 N LEU A 28 -11.116 0.441 -1.700 1.00 0.00 N ATOM 441 CA LEU A 28 -10.652 -0.928 -1.356 1.00 0.00 C ATOM 442 C LEU A 28 -11.044 -1.236 0.091 1.00 0.00 C ATOM 443 O LEU A 28 -11.241 -2.371 0.464 1.00 0.00 O ATOM 444 CB LEU A 28 -9.123 -1.000 -1.503 1.00 0.00 C ATOM 445 CG LEU A 28 -8.756 -1.188 -2.976 1.00 0.00 C ATOM 446 CD1 LEU A 28 -9.440 -0.114 -3.824 1.00 0.00 C ATOM 447 CD2 LEU A 28 -7.238 -1.083 -3.143 1.00 0.00 C ATOM 0 H LEU A 28 -10.380 1.100 -1.954 1.00 0.00 H new ATOM 0 HA LEU A 28 -11.112 -1.656 -2.024 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.667 -0.088 -1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.729 -1.827 -0.912 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.091 -2.171 -3.306 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.174 -0.254 -4.872 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.521 -0.194 -3.710 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.113 0.872 -3.495 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.977 -1.217 -4.193 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.902 -0.102 -2.808 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.752 -1.856 -2.547 1.00 0.00 H new ATOM 459 N SER A 29 -11.166 -0.228 0.903 1.00 0.00 N ATOM 460 CA SER A 29 -11.544 -0.456 2.329 1.00 0.00 C ATOM 461 C SER A 29 -12.986 -0.968 2.430 1.00 0.00 C ATOM 462 O SER A 29 -13.244 -2.009 3.003 1.00 0.00 O ATOM 463 CB SER A 29 -11.432 0.858 3.094 1.00 0.00 C ATOM 464 OG SER A 29 -12.568 1.666 2.804 1.00 0.00 O ATOM 0 H SER A 29 -11.021 0.748 0.644 1.00 0.00 H new ATOM 0 HA SER A 29 -10.872 -1.202 2.754 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.372 0.665 4.165 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.518 1.380 2.812 1.00 0.00 H new ATOM 0 HG SER A 29 -12.475 2.052 1.908 1.00 0.00 H new ATOM 470 N ARG A 30 -13.929 -0.233 1.906 1.00 0.00 N ATOM 471 CA ARG A 30 -15.351 -0.672 1.995 1.00 0.00 C ATOM 472 C ARG A 30 -15.584 -1.913 1.127 1.00 0.00 C ATOM 473 O ARG A 30 -16.520 -2.658 1.341 1.00 0.00 O ATOM 474 CB ARG A 30 -16.270 0.462 1.529 1.00 0.00 C ATOM 475 CG ARG A 30 -16.053 0.726 0.031 1.00 0.00 C ATOM 476 CD ARG A 30 -16.769 2.029 -0.399 1.00 0.00 C ATOM 477 NE ARG A 30 -17.530 1.803 -1.672 1.00 0.00 N ATOM 478 CZ ARG A 30 -16.983 1.193 -2.693 1.00 0.00 C ATOM 479 NH1 ARG A 30 -15.724 0.854 -2.663 1.00 0.00 N ATOM 480 NH2 ARG A 30 -17.694 0.946 -3.760 1.00 0.00 N ATOM 0 H ARG A 30 -13.777 0.651 1.421 1.00 0.00 H new ATOM 0 HA ARG A 30 -15.576 -0.922 3.032 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -17.311 0.198 1.714 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -16.064 1.367 2.101 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -14.986 0.804 -0.180 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -16.433 -0.114 -0.551 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -17.449 2.356 0.387 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -16.038 2.825 -0.540 1.00 0.00 H new ATOM 0 HE ARG A 30 -18.493 2.131 -1.743 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -15.159 1.064 -1.840 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -15.305 0.379 -3.462 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -18.673 1.228 -3.797 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -17.270 0.471 -4.557 1.00 0.00 H new ATOM 494 N GLN A 31 -14.752 -2.146 0.152 1.00 0.00 N ATOM 495 CA GLN A 31 -14.954 -3.339 -0.716 1.00 0.00 C ATOM 496 C GLN A 31 -14.755 -4.618 0.110 1.00 0.00 C ATOM 497 O GLN A 31 -15.369 -5.631 -0.161 1.00 0.00 O ATOM 498 CB GLN A 31 -13.948 -3.294 -1.878 1.00 0.00 C ATOM 499 CG GLN A 31 -14.504 -2.431 -3.020 1.00 0.00 C ATOM 500 CD GLN A 31 -13.536 -2.455 -4.206 1.00 0.00 C ATOM 501 OE1 GLN A 31 -12.590 -1.560 -4.282 1.00 0.00 O flip ATOM 502 NE2 GLN A 31 -13.647 -3.295 -5.076 1.00 0.00 N flip ATOM 0 H GLN A 31 -13.946 -1.566 -0.081 1.00 0.00 H new ATOM 0 HA GLN A 31 -15.967 -3.336 -1.118 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.998 -2.886 -1.532 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.749 -4.304 -2.237 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -15.481 -2.804 -3.328 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -14.648 -1.406 -2.677 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.386 -3.995 -5.017 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -13.001 -3.300 -5.865 1.00 0.00 H new ATOM 511 N PHE A 32 -13.913 -4.580 1.118 1.00 0.00 N ATOM 512 CA PHE A 32 -13.681 -5.799 1.965 1.00 0.00 C ATOM 513 C PHE A 32 -14.380 -5.629 3.316 1.00 0.00 C ATOM 514 O PHE A 32 -14.823 -6.591 3.911 1.00 0.00 O ATOM 515 CB PHE A 32 -12.174 -6.003 2.175 1.00 0.00 C ATOM 516 CG PHE A 32 -11.567 -6.565 0.910 1.00 0.00 C ATOM 517 CD1 PHE A 32 -11.160 -5.698 -0.121 1.00 0.00 C ATOM 518 CD2 PHE A 32 -11.420 -7.958 0.757 1.00 0.00 C ATOM 519 CE1 PHE A 32 -10.607 -6.220 -1.306 1.00 0.00 C ATOM 520 CE2 PHE A 32 -10.866 -8.481 -0.427 1.00 0.00 C ATOM 521 CZ PHE A 32 -10.460 -7.612 -1.459 1.00 0.00 C ATOM 0 H PHE A 32 -13.376 -3.757 1.392 1.00 0.00 H new ATOM 0 HA PHE A 32 -14.091 -6.674 1.460 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -11.699 -5.056 2.431 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -12.000 -6.683 3.009 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.272 -4.630 -0.003 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.732 -8.624 1.548 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.296 -5.553 -2.097 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.752 -9.549 -0.544 1.00 0.00 H new ATOM 0 HZ PHE A 32 -10.036 -8.014 -2.367 1.00 0.00 H new ATOM 531 N GLY A 33 -14.499 -4.413 3.804 1.00 0.00 N ATOM 532 CA GLY A 33 -15.194 -4.184 5.112 1.00 0.00 C ATOM 533 C GLY A 33 -14.363 -3.269 6.013 1.00 0.00 C ATOM 534 O GLY A 33 -14.874 -2.320 6.573 1.00 0.00 O ATOM 0 H GLY A 33 -14.144 -3.571 3.351 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.173 -3.738 4.936 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.363 -5.138 5.611 1.00 0.00 H new ATOM 538 N TYR A 34 -13.095 -3.549 6.175 1.00 0.00 N ATOM 539 CA TYR A 34 -12.249 -2.693 7.067 1.00 0.00 C ATOM 540 C TYR A 34 -12.547 -1.210 6.815 1.00 0.00 C ATOM 541 O TYR A 34 -12.476 -0.729 5.702 1.00 0.00 O ATOM 542 CB TYR A 34 -10.765 -2.965 6.808 1.00 0.00 C ATOM 543 CG TYR A 34 -10.518 -4.458 6.734 1.00 0.00 C ATOM 544 CD1 TYR A 34 -10.949 -5.306 7.778 1.00 0.00 C ATOM 545 CD2 TYR A 34 -9.856 -5.003 5.617 1.00 0.00 C ATOM 546 CE1 TYR A 34 -10.716 -6.691 7.699 1.00 0.00 C ATOM 547 CE2 TYR A 34 -9.626 -6.387 5.542 1.00 0.00 C ATOM 548 CZ TYR A 34 -10.055 -7.232 6.581 1.00 0.00 C ATOM 549 OH TYR A 34 -9.828 -8.590 6.504 1.00 0.00 O ATOM 0 H TYR A 34 -12.609 -4.329 5.732 1.00 0.00 H new ATOM 0 HA TYR A 34 -12.484 -2.936 8.103 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.457 -2.490 5.876 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.162 -2.527 7.604 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.457 -4.891 8.636 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -9.525 -4.357 4.818 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -11.045 -7.340 8.497 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -9.118 -6.803 4.684 1.00 0.00 H new ATOM 0 HH TYR A 34 -9.362 -8.797 5.667 1.00 0.00 H new ATOM 559 N ALA A 35 -12.898 -0.489 7.850 1.00 0.00 N ATOM 560 CA ALA A 35 -13.219 0.962 7.695 1.00 0.00 C ATOM 561 C ALA A 35 -12.165 1.635 6.784 1.00 0.00 C ATOM 562 O ALA A 35 -11.119 1.066 6.547 1.00 0.00 O ATOM 563 CB ALA A 35 -13.229 1.623 9.095 1.00 0.00 C ATOM 0 H ALA A 35 -12.976 -0.846 8.802 1.00 0.00 H new ATOM 0 HA ALA A 35 -14.199 1.082 7.233 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -13.462 2.683 8.995 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -13.983 1.143 9.719 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.249 1.509 9.558 1.00 0.00 H new ATOM 569 N PRO A 36 -12.465 2.829 6.302 1.00 0.00 N ATOM 570 CA PRO A 36 -11.532 3.570 5.422 1.00 0.00 C ATOM 571 C PRO A 36 -10.237 3.924 6.173 1.00 0.00 C ATOM 572 O PRO A 36 -9.197 4.106 5.574 1.00 0.00 O ATOM 573 CB PRO A 36 -12.302 4.852 5.019 1.00 0.00 C ATOM 574 CG PRO A 36 -13.604 4.896 5.870 1.00 0.00 C ATOM 575 CD PRO A 36 -13.741 3.534 6.581 1.00 0.00 C ATOM 0 HA PRO A 36 -11.231 2.982 4.555 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.694 5.738 5.200 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -12.538 4.840 3.955 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.558 5.706 6.598 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -14.470 5.086 5.236 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.896 3.661 7.652 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.594 2.973 6.200 1.00 0.00 H new ATOM 583 N THR A 37 -10.293 4.047 7.470 1.00 0.00 N ATOM 584 CA THR A 37 -9.066 4.410 8.234 1.00 0.00 C ATOM 585 C THR A 37 -8.107 3.218 8.294 1.00 0.00 C ATOM 586 O THR A 37 -6.902 3.382 8.267 1.00 0.00 O ATOM 587 CB THR A 37 -9.454 4.826 9.652 1.00 0.00 C ATOM 588 OG1 THR A 37 -9.713 3.667 10.429 1.00 0.00 O ATOM 589 CG2 THR A 37 -10.705 5.702 9.603 1.00 0.00 C ATOM 0 H THR A 37 -11.133 3.912 8.033 1.00 0.00 H new ATOM 0 HA THR A 37 -8.568 5.239 7.731 1.00 0.00 H new ATOM 0 HB THR A 37 -8.637 5.390 10.103 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.960 3.932 11.339 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.981 5.998 10.615 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.503 6.592 9.007 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.524 5.142 9.153 1.00 0.00 H new ATOM 597 N THR A 38 -8.618 2.023 8.373 1.00 0.00 N ATOM 598 CA THR A 38 -7.714 0.840 8.432 1.00 0.00 C ATOM 599 C THR A 38 -6.771 0.866 7.228 1.00 0.00 C ATOM 600 O THR A 38 -5.572 0.993 7.370 1.00 0.00 O ATOM 601 CB THR A 38 -8.548 -0.448 8.410 1.00 0.00 C ATOM 602 OG1 THR A 38 -9.249 -0.574 9.641 1.00 0.00 O ATOM 603 CG2 THR A 38 -7.633 -1.669 8.216 1.00 0.00 C ATOM 0 H THR A 38 -9.616 1.813 8.399 1.00 0.00 H new ATOM 0 HA THR A 38 -7.130 0.871 9.352 1.00 0.00 H new ATOM 0 HB THR A 38 -9.256 -0.401 7.583 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.784 -1.395 9.630 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.236 -2.577 8.202 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.096 -1.575 7.272 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.917 -1.721 9.036 1.00 0.00 H new ATOM 611 N LEU A 39 -7.303 0.746 6.042 1.00 0.00 N ATOM 612 CA LEU A 39 -6.434 0.763 4.830 1.00 0.00 C ATOM 613 C LEU A 39 -5.493 1.974 4.912 1.00 0.00 C ATOM 614 O LEU A 39 -4.320 1.888 4.613 1.00 0.00 O ATOM 615 CB LEU A 39 -7.334 0.867 3.569 1.00 0.00 C ATOM 616 CG LEU A 39 -6.975 -0.199 2.504 1.00 0.00 C ATOM 617 CD1 LEU A 39 -5.445 -0.299 2.291 1.00 0.00 C ATOM 618 CD2 LEU A 39 -7.534 -1.564 2.935 1.00 0.00 C ATOM 0 H LEU A 39 -8.301 0.637 5.860 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.840 -0.149 4.772 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.378 0.751 3.859 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.233 1.861 3.134 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.423 0.103 1.557 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.231 -1.057 1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.061 0.664 1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.964 -0.575 3.229 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.281 -2.314 2.185 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.100 -1.849 3.894 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.618 -1.499 3.032 1.00 0.00 H new ATOM 630 N ALA A 40 -6.014 3.108 5.296 1.00 0.00 N ATOM 631 CA ALA A 40 -5.168 4.330 5.393 1.00 0.00 C ATOM 632 C ALA A 40 -3.980 4.072 6.324 1.00 0.00 C ATOM 633 O ALA A 40 -2.853 3.935 5.890 1.00 0.00 O ATOM 634 CB ALA A 40 -6.002 5.491 5.938 1.00 0.00 C ATOM 0 H ALA A 40 -6.994 3.240 5.548 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.796 4.584 4.401 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.381 6.384 6.008 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.840 5.683 5.268 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.381 5.234 6.927 1.00 0.00 H new ATOM 640 N ASN A 41 -4.226 4.021 7.606 1.00 0.00 N ATOM 641 CA ASN A 41 -3.126 3.796 8.584 1.00 0.00 C ATOM 642 C ASN A 41 -2.376 2.500 8.269 1.00 0.00 C ATOM 643 O ASN A 41 -1.282 2.278 8.741 1.00 0.00 O ATOM 644 CB ASN A 41 -3.722 3.703 9.989 1.00 0.00 C ATOM 645 CG ASN A 41 -4.599 2.451 10.102 1.00 0.00 C ATOM 646 OD1 ASN A 41 -5.780 2.548 10.369 1.00 0.00 O ATOM 647 ND2 ASN A 41 -4.068 1.273 9.916 1.00 0.00 N ATOM 0 H ASN A 41 -5.152 4.127 8.020 1.00 0.00 H new ATOM 0 HA ASN A 41 -2.424 4.628 8.522 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -2.924 3.667 10.730 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.314 4.593 10.202 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -4.645 0.435 9.995 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.076 1.190 9.692 1.00 0.00 H new ATOM 654 N ALA A 42 -2.958 1.639 7.488 1.00 0.00 N ATOM 655 CA ALA A 42 -2.272 0.355 7.167 1.00 0.00 C ATOM 656 C ALA A 42 -1.073 0.620 6.258 1.00 0.00 C ATOM 657 O ALA A 42 -0.465 -0.293 5.735 1.00 0.00 O ATOM 658 CB ALA A 42 -3.249 -0.584 6.455 1.00 0.00 C ATOM 0 H ALA A 42 -3.874 1.765 7.058 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.928 -0.107 8.093 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.746 -1.522 6.221 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.102 -0.781 7.104 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.595 -0.118 5.533 1.00 0.00 H new ATOM 664 N LEU A 43 -0.723 1.863 6.071 1.00 0.00 N ATOM 665 CA LEU A 43 0.445 2.183 5.203 1.00 0.00 C ATOM 666 C LEU A 43 1.730 2.096 6.040 1.00 0.00 C ATOM 667 O LEU A 43 2.777 1.732 5.541 1.00 0.00 O ATOM 668 CB LEU A 43 0.291 3.606 4.636 1.00 0.00 C ATOM 669 CG LEU A 43 -0.676 3.603 3.431 1.00 0.00 C ATOM 670 CD1 LEU A 43 -1.310 4.990 3.278 1.00 0.00 C ATOM 671 CD2 LEU A 43 0.086 3.264 2.139 1.00 0.00 C ATOM 0 H LEU A 43 -1.194 2.669 6.481 1.00 0.00 H new ATOM 0 HA LEU A 43 0.496 1.473 4.378 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.085 4.274 5.411 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.264 3.989 4.329 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.448 2.854 3.606 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.992 4.987 2.428 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.861 5.240 4.184 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.528 5.731 3.113 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.606 3.265 1.297 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.864 4.008 1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.541 2.278 2.233 1.00 0.00 H new ATOM 683 N GLU A 44 1.652 2.428 7.311 1.00 0.00 N ATOM 684 CA GLU A 44 2.866 2.366 8.191 1.00 0.00 C ATOM 685 C GLU A 44 2.530 1.657 9.511 1.00 0.00 C ATOM 686 O GLU A 44 3.372 1.521 10.378 1.00 0.00 O ATOM 687 CB GLU A 44 3.361 3.786 8.488 1.00 0.00 C ATOM 688 CG GLU A 44 2.221 4.624 9.067 1.00 0.00 C ATOM 689 CD GLU A 44 2.687 6.071 9.241 1.00 0.00 C ATOM 690 OE1 GLU A 44 3.576 6.295 10.048 1.00 0.00 O ATOM 691 OE2 GLU A 44 2.149 6.931 8.564 1.00 0.00 O ATOM 0 H GLU A 44 0.799 2.739 7.776 1.00 0.00 H new ATOM 0 HA GLU A 44 3.646 1.806 7.674 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.192 3.751 9.192 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.736 4.248 7.575 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.356 4.587 8.405 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.906 4.215 10.027 1.00 0.00 H new ATOM 698 N ARG A 45 1.313 1.205 9.679 1.00 0.00 N ATOM 699 CA ARG A 45 0.951 0.506 10.950 1.00 0.00 C ATOM 700 C ARG A 45 1.514 -0.919 10.919 1.00 0.00 C ATOM 701 O ARG A 45 1.705 -1.497 9.867 1.00 0.00 O ATOM 702 CB ARG A 45 -0.577 0.454 11.099 1.00 0.00 C ATOM 703 CG ARG A 45 -0.970 0.067 12.543 1.00 0.00 C ATOM 704 CD ARG A 45 -1.084 1.323 13.414 1.00 0.00 C ATOM 705 NE ARG A 45 -2.228 2.152 12.943 1.00 0.00 N ATOM 706 CZ ARG A 45 -2.690 3.116 13.694 1.00 0.00 C ATOM 707 NH1 ARG A 45 -2.139 3.365 14.850 1.00 0.00 N ATOM 708 NH2 ARG A 45 -3.701 3.833 13.288 1.00 0.00 N ATOM 0 H ARG A 45 0.559 1.289 8.997 1.00 0.00 H new ATOM 0 HA ARG A 45 1.372 1.049 11.796 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.006 1.424 10.847 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.992 -0.269 10.397 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.919 -0.469 12.538 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.225 -0.609 12.962 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.229 1.043 14.457 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.159 1.898 13.364 1.00 0.00 H new ATOM 0 HE ARG A 45 -2.651 1.967 12.034 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.347 2.807 15.168 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.500 4.118 15.436 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -4.132 3.641 12.383 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -4.061 4.585 13.875 1.00 0.00 H new ATOM 722 N HIS A 46 1.766 -1.496 12.062 1.00 0.00 N ATOM 723 CA HIS A 46 2.305 -2.885 12.098 1.00 0.00 C ATOM 724 C HIS A 46 1.217 -3.859 11.637 1.00 0.00 C ATOM 725 O HIS A 46 0.559 -4.497 12.434 1.00 0.00 O ATOM 726 CB HIS A 46 2.732 -3.222 13.528 1.00 0.00 C ATOM 727 CG HIS A 46 3.688 -2.168 14.012 1.00 0.00 C ATOM 728 ND1 HIS A 46 3.505 -0.851 14.352 1.00 0.00 N flip ATOM 729 CD2 HIS A 46 5.040 -2.419 14.181 1.00 0.00 C flip ATOM 730 CE1 HIS A 46 4.724 -0.290 14.724 1.00 0.00 C flip ATOM 731 NE2 HIS A 46 5.615 -1.278 14.603 1.00 0.00 N flip ATOM 0 H HIS A 46 1.621 -1.064 12.975 1.00 0.00 H new ATOM 0 HA HIS A 46 3.167 -2.967 11.436 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.860 -3.268 14.181 1.00 0.00 H new ATOM 0 HB3 HIS A 46 3.206 -4.203 13.559 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.541 -3.359 14.006 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.909 0.725 15.042 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.610 -1.179 14.806 1.00 0.00 H new ATOM 739 N TRP A 47 1.022 -3.972 10.352 1.00 0.00 N ATOM 740 CA TRP A 47 -0.020 -4.895 9.822 1.00 0.00 C ATOM 741 C TRP A 47 0.238 -5.110 8.320 1.00 0.00 C ATOM 742 O TRP A 47 -0.494 -4.605 7.493 1.00 0.00 O ATOM 743 CB TRP A 47 -1.398 -4.256 10.036 1.00 0.00 C ATOM 744 CG TRP A 47 -2.468 -5.163 9.522 1.00 0.00 C ATOM 745 CD1 TRP A 47 -2.610 -6.470 9.846 1.00 0.00 C ATOM 746 CD2 TRP A 47 -3.546 -4.849 8.603 1.00 0.00 C ATOM 747 NE1 TRP A 47 -3.706 -6.980 9.173 1.00 0.00 N ATOM 748 CE2 TRP A 47 -4.319 -6.020 8.392 1.00 0.00 C ATOM 749 CE3 TRP A 47 -3.925 -3.666 7.933 1.00 0.00 C ATOM 750 CZ2 TRP A 47 -5.432 -6.019 7.541 1.00 0.00 C ATOM 751 CZ3 TRP A 47 -5.047 -3.658 7.077 1.00 0.00 C ATOM 752 CH2 TRP A 47 -5.797 -4.834 6.880 1.00 0.00 C ATOM 0 H TRP A 47 1.544 -3.460 9.641 1.00 0.00 H new ATOM 0 HA TRP A 47 0.013 -5.855 10.337 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.556 -4.059 11.096 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.446 -3.296 9.522 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -1.972 -7.024 10.519 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -4.023 -7.947 9.245 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.353 -2.761 8.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -6.005 -6.922 7.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.332 -2.747 6.571 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -6.653 -4.825 6.221 1.00 0.00 H new ATOM 763 N PRO A 48 1.308 -5.823 8.011 1.00 0.00 N ATOM 764 CA PRO A 48 1.704 -6.082 6.607 1.00 0.00 C ATOM 765 C PRO A 48 0.583 -6.784 5.812 1.00 0.00 C ATOM 766 O PRO A 48 0.628 -6.849 4.595 1.00 0.00 O ATOM 767 CB PRO A 48 2.971 -6.968 6.708 1.00 0.00 C ATOM 768 CG PRO A 48 3.354 -7.066 8.213 1.00 0.00 C ATOM 769 CD PRO A 48 2.211 -6.418 9.027 1.00 0.00 C ATOM 0 HA PRO A 48 1.895 -5.155 6.066 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.780 -7.959 6.296 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.789 -6.535 6.132 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.491 -8.107 8.507 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.297 -6.554 8.403 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.690 -7.158 9.634 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.593 -5.658 9.709 1.00 0.00 H new ATOM 777 N LYS A 49 -0.422 -7.301 6.465 1.00 0.00 N ATOM 778 CA LYS A 49 -1.507 -7.977 5.697 1.00 0.00 C ATOM 779 C LYS A 49 -2.276 -6.921 4.896 1.00 0.00 C ATOM 780 O LYS A 49 -2.897 -7.217 3.893 1.00 0.00 O ATOM 781 CB LYS A 49 -2.461 -8.707 6.654 1.00 0.00 C ATOM 782 CG LYS A 49 -3.314 -9.749 5.877 1.00 0.00 C ATOM 783 CD LYS A 49 -2.749 -11.174 6.046 1.00 0.00 C ATOM 784 CE LYS A 49 -1.453 -11.343 5.244 1.00 0.00 C ATOM 785 NZ LYS A 49 -0.312 -10.764 6.010 1.00 0.00 N ATOM 0 H LYS A 49 -0.539 -7.286 7.478 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.072 -8.712 5.019 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.890 -9.206 7.437 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.114 -7.987 7.146 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.343 -9.719 6.235 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.336 -9.488 4.819 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.558 -11.372 7.101 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.486 -11.905 5.713 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.272 -12.399 5.045 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.544 -10.847 4.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.085 -9.959 5.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.647 -10.440 6.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.423 -11.489 6.140 1.00 0.00 H new ATOM 799 N GLY A 50 -2.214 -5.683 5.315 1.00 0.00 N ATOM 800 CA GLY A 50 -2.914 -4.605 4.559 1.00 0.00 C ATOM 801 C GLY A 50 -2.157 -4.381 3.251 1.00 0.00 C ATOM 802 O GLY A 50 -2.697 -3.888 2.283 1.00 0.00 O ATOM 0 H GLY A 50 -1.710 -5.374 6.146 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.947 -4.889 4.358 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.944 -3.686 5.145 1.00 0.00 H new ATOM 806 N GLU A 51 -0.905 -4.751 3.224 1.00 0.00 N ATOM 807 CA GLU A 51 -0.102 -4.583 1.983 1.00 0.00 C ATOM 808 C GLU A 51 -0.588 -5.607 0.957 1.00 0.00 C ATOM 809 O GLU A 51 -0.680 -5.328 -0.221 1.00 0.00 O ATOM 810 CB GLU A 51 1.383 -4.829 2.278 1.00 0.00 C ATOM 811 CG GLU A 51 1.832 -3.985 3.478 1.00 0.00 C ATOM 812 CD GLU A 51 1.982 -2.524 3.051 1.00 0.00 C ATOM 813 OE1 GLU A 51 0.968 -1.885 2.831 1.00 0.00 O ATOM 814 OE2 GLU A 51 3.111 -2.069 2.951 1.00 0.00 O ATOM 0 H GLU A 51 -0.404 -5.163 4.011 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.221 -3.569 1.601 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.550 -5.886 2.485 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.982 -4.577 1.403 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.104 -4.066 4.285 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.779 -4.360 3.865 1.00 0.00 H new ATOM 821 N GLN A 52 -0.902 -6.797 1.405 1.00 0.00 N ATOM 822 CA GLN A 52 -1.387 -7.846 0.461 1.00 0.00 C ATOM 823 C GLN A 52 -2.681 -7.367 -0.206 1.00 0.00 C ATOM 824 O GLN A 52 -2.874 -7.535 -1.392 1.00 0.00 O ATOM 825 CB GLN A 52 -1.651 -9.148 1.229 1.00 0.00 C ATOM 826 CG GLN A 52 -0.331 -9.892 1.465 1.00 0.00 C ATOM 827 CD GLN A 52 0.105 -10.608 0.183 1.00 0.00 C ATOM 828 OE1 GLN A 52 -0.626 -10.505 -0.895 1.00 0.00 O flip ATOM 829 NE2 GLN A 52 1.120 -11.275 0.162 1.00 0.00 N flip ATOM 0 H GLN A 52 -0.843 -7.085 2.382 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.631 -8.029 -0.302 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.129 -8.927 2.183 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.339 -9.779 0.666 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.441 -9.189 1.779 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.451 -10.615 2.272 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.693 -11.358 1.002 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.399 -11.752 -0.695 1.00 0.00 H new ATOM 838 N ILE A 53 -3.569 -6.766 0.538 1.00 0.00 N ATOM 839 CA ILE A 53 -4.843 -6.281 -0.072 1.00 0.00 C ATOM 840 C ILE A 53 -4.506 -5.344 -1.239 1.00 0.00 C ATOM 841 O ILE A 53 -4.997 -5.499 -2.342 1.00 0.00 O ATOM 842 CB ILE A 53 -5.657 -5.527 0.993 1.00 0.00 C ATOM 843 CG1 ILE A 53 -6.132 -6.532 2.055 1.00 0.00 C ATOM 844 CG2 ILE A 53 -6.873 -4.851 0.344 1.00 0.00 C ATOM 845 CD1 ILE A 53 -6.699 -5.801 3.285 1.00 0.00 C ATOM 0 H ILE A 53 -3.470 -6.590 1.538 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.431 -7.121 -0.440 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.034 -4.761 1.455 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.895 -7.184 1.630 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.301 -7.169 2.356 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -7.443 -4.320 1.106 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.535 -4.145 -0.415 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.505 -5.608 -0.121 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.029 -6.532 4.023 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.926 -5.169 3.721 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.545 -5.183 2.983 1.00 0.00 H new ATOM 857 N ILE A 54 -3.668 -4.375 -1.001 1.00 0.00 N ATOM 858 CA ILE A 54 -3.291 -3.420 -2.076 1.00 0.00 C ATOM 859 C ILE A 54 -2.528 -4.144 -3.191 1.00 0.00 C ATOM 860 O ILE A 54 -2.898 -4.091 -4.347 1.00 0.00 O ATOM 861 CB ILE A 54 -2.401 -2.332 -1.466 1.00 0.00 C ATOM 862 CG1 ILE A 54 -3.266 -1.438 -0.564 1.00 0.00 C ATOM 863 CG2 ILE A 54 -1.754 -1.495 -2.583 1.00 0.00 C ATOM 864 CD1 ILE A 54 -2.386 -0.517 0.307 1.00 0.00 C ATOM 0 H ILE A 54 -3.225 -4.203 -0.099 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.190 -2.979 -2.505 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.606 -2.789 -0.876 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.935 -0.834 -1.178 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.894 -2.059 0.075 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.123 -0.724 -2.141 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.147 -2.141 -3.217 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.533 -1.026 -3.184 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.022 0.106 0.936 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.736 -1.124 0.937 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.778 0.119 -0.336 1.00 0.00 H new ATOM 876 N ALA A 55 -1.453 -4.804 -2.861 1.00 0.00 N ATOM 877 CA ALA A 55 -0.662 -5.509 -3.910 1.00 0.00 C ATOM 878 C ALA A 55 -1.561 -6.505 -4.645 1.00 0.00 C ATOM 879 O ALA A 55 -1.429 -6.720 -5.832 1.00 0.00 O ATOM 880 CB ALA A 55 0.503 -6.249 -3.246 1.00 0.00 C ATOM 0 H ALA A 55 -1.088 -4.886 -1.912 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.272 -4.787 -4.627 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.086 -6.767 -4.007 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.140 -5.533 -2.726 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.113 -6.974 -2.531 1.00 0.00 H new ATOM 886 N ASN A 56 -2.475 -7.109 -3.945 1.00 0.00 N ATOM 887 CA ASN A 56 -3.386 -8.085 -4.597 1.00 0.00 C ATOM 888 C ASN A 56 -4.103 -7.399 -5.762 1.00 0.00 C ATOM 889 O ASN A 56 -4.424 -8.015 -6.758 1.00 0.00 O ATOM 890 CB ASN A 56 -4.418 -8.585 -3.582 1.00 0.00 C ATOM 891 CG ASN A 56 -5.455 -9.455 -4.296 1.00 0.00 C ATOM 892 OD1 ASN A 56 -6.274 -8.900 -5.146 1.00 0.00 O flip ATOM 893 ND2 ASN A 56 -5.517 -10.650 -4.081 1.00 0.00 N flip ATOM 0 H ASN A 56 -2.631 -6.969 -2.947 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.810 -8.933 -4.968 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.924 -9.159 -2.798 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.908 -7.740 -3.098 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.876 -11.082 -3.416 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.210 -11.220 -4.566 1.00 0.00 H new ATOM 900 N ALA A 57 -4.364 -6.126 -5.636 1.00 0.00 N ATOM 901 CA ALA A 57 -5.069 -5.398 -6.732 1.00 0.00 C ATOM 902 C ALA A 57 -4.242 -5.467 -8.016 1.00 0.00 C ATOM 903 O ALA A 57 -4.770 -5.621 -9.099 1.00 0.00 O ATOM 904 CB ALA A 57 -5.264 -3.933 -6.335 1.00 0.00 C ATOM 0 H ALA A 57 -4.121 -5.559 -4.824 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.040 -5.863 -6.901 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.779 -3.404 -7.137 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.860 -3.879 -5.424 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.292 -3.471 -6.161 1.00 0.00 H new ATOM 910 N LEU A 58 -2.948 -5.357 -7.904 1.00 0.00 N ATOM 911 CA LEU A 58 -2.084 -5.414 -9.112 1.00 0.00 C ATOM 912 C LEU A 58 -1.715 -6.872 -9.388 1.00 0.00 C ATOM 913 O LEU A 58 -0.864 -7.165 -10.203 1.00 0.00 O ATOM 914 CB LEU A 58 -0.803 -4.615 -8.848 1.00 0.00 C ATOM 915 CG LEU A 58 -1.117 -3.120 -8.685 1.00 0.00 C ATOM 916 CD1 LEU A 58 0.115 -2.417 -8.105 1.00 0.00 C ATOM 917 CD2 LEU A 58 -1.471 -2.493 -10.047 1.00 0.00 C ATOM 0 H LEU A 58 -2.451 -5.229 -7.023 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.612 -4.995 -9.969 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.315 -4.989 -7.948 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.104 -4.757 -9.672 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.969 -3.002 -8.016 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.096 -1.354 -7.985 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.359 -2.851 -7.135 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.959 -2.545 -8.782 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.691 -1.434 -9.914 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.629 -2.606 -10.729 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.344 -2.995 -10.463 1.00 0.00 H new ATOM 929 N GLU A 59 -2.352 -7.789 -8.708 1.00 0.00 N ATOM 930 CA GLU A 59 -2.038 -9.231 -8.925 1.00 0.00 C ATOM 931 C GLU A 59 -0.529 -9.446 -8.767 1.00 0.00 C ATOM 932 O GLU A 59 0.025 -10.413 -9.255 1.00 0.00 O ATOM 933 CB GLU A 59 -2.482 -9.644 -10.337 1.00 0.00 C ATOM 934 CG GLU A 59 -2.679 -11.163 -10.403 1.00 0.00 C ATOM 935 CD GLU A 59 -2.929 -11.579 -11.855 1.00 0.00 C ATOM 936 OE1 GLU A 59 -3.191 -10.705 -12.664 1.00 0.00 O ATOM 937 OE2 GLU A 59 -2.856 -12.764 -12.131 1.00 0.00 O ATOM 0 H GLU A 59 -3.075 -7.602 -8.013 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.568 -9.840 -8.193 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.411 -9.137 -10.597 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.734 -9.334 -11.067 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.798 -11.673 -10.013 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.521 -11.459 -9.778 1.00 0.00 H new ATOM 944 N THR A 60 0.140 -8.546 -8.083 1.00 0.00 N ATOM 945 CA THR A 60 1.620 -8.681 -7.883 1.00 0.00 C ATOM 946 C THR A 60 1.909 -8.998 -6.414 1.00 0.00 C ATOM 947 O THR A 60 1.023 -9.343 -5.658 1.00 0.00 O ATOM 948 CB THR A 60 2.313 -7.366 -8.291 1.00 0.00 C ATOM 949 OG1 THR A 60 3.687 -7.620 -8.538 1.00 0.00 O ATOM 950 CG2 THR A 60 2.183 -6.312 -7.181 1.00 0.00 C ATOM 0 H THR A 60 -0.277 -7.721 -7.653 1.00 0.00 H new ATOM 0 HA THR A 60 2.004 -9.492 -8.502 1.00 0.00 H new ATOM 0 HB THR A 60 1.832 -6.983 -9.191 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.132 -6.787 -8.800 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.680 -5.393 -7.492 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.129 -6.109 -6.994 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.648 -6.685 -6.269 1.00 0.00 H new ATOM 958 N LYS A 61 3.149 -8.884 -6.007 1.00 0.00 N ATOM 959 CA LYS A 61 3.517 -9.175 -4.588 1.00 0.00 C ATOM 960 C LYS A 61 3.795 -7.843 -3.860 1.00 0.00 C ATOM 961 O LYS A 61 4.287 -6.920 -4.477 1.00 0.00 O ATOM 962 CB LYS A 61 4.790 -10.028 -4.573 1.00 0.00 C ATOM 963 CG LYS A 61 4.531 -11.361 -5.289 1.00 0.00 C ATOM 964 CD LYS A 61 5.868 -11.997 -5.723 1.00 0.00 C ATOM 965 CE LYS A 61 6.278 -11.474 -7.107 1.00 0.00 C ATOM 966 NZ LYS A 61 5.530 -12.220 -8.159 1.00 0.00 N ATOM 0 H LYS A 61 3.927 -8.600 -6.602 1.00 0.00 H new ATOM 0 HA LYS A 61 2.706 -9.707 -4.091 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.603 -9.493 -5.064 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.104 -10.212 -3.545 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.994 -12.040 -4.627 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.897 -11.198 -6.160 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.644 -11.764 -4.994 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.771 -13.082 -5.750 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.067 -10.407 -7.182 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.351 -11.597 -7.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.867 -11.927 -9.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.686 -13.241 -8.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.514 -12.013 -8.076 1.00 0.00 H new ATOM 980 N PRO A 62 3.501 -7.763 -2.573 1.00 0.00 N ATOM 981 CA PRO A 62 3.758 -6.523 -1.813 1.00 0.00 C ATOM 982 C PRO A 62 5.261 -6.211 -1.847 1.00 0.00 C ATOM 983 O PRO A 62 5.674 -5.069 -1.803 1.00 0.00 O ATOM 984 CB PRO A 62 3.277 -6.831 -0.375 1.00 0.00 C ATOM 985 CG PRO A 62 2.887 -8.337 -0.329 1.00 0.00 C ATOM 986 CD PRO A 62 2.901 -8.860 -1.780 1.00 0.00 C ATOM 0 HA PRO A 62 3.244 -5.653 -2.222 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.064 -6.616 0.348 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.424 -6.205 -0.113 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.590 -8.897 0.288 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.900 -8.465 0.116 1.00 0.00 H new ATOM 0 HD2 PRO A 62 3.487 -9.775 -1.865 1.00 0.00 H new ATOM 0 HD3 PRO A 62 1.894 -9.093 -2.126 1.00 0.00 H new ATOM 994 N GLU A 63 6.075 -7.225 -1.924 1.00 0.00 N ATOM 995 CA GLU A 63 7.549 -7.008 -1.960 1.00 0.00 C ATOM 996 C GLU A 63 7.914 -6.105 -3.143 1.00 0.00 C ATOM 997 O GLU A 63 9.055 -5.722 -3.311 1.00 0.00 O ATOM 998 CB GLU A 63 8.247 -8.360 -2.120 1.00 0.00 C ATOM 999 CG GLU A 63 7.659 -9.359 -1.120 1.00 0.00 C ATOM 1000 CD GLU A 63 8.575 -10.579 -1.018 1.00 0.00 C ATOM 1001 OE1 GLU A 63 9.761 -10.388 -0.811 1.00 0.00 O ATOM 1002 OE2 GLU A 63 8.073 -11.684 -1.151 1.00 0.00 O ATOM 0 H GLU A 63 5.782 -8.201 -1.964 1.00 0.00 H new ATOM 0 HA GLU A 63 7.869 -6.530 -1.034 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.119 -8.729 -3.137 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.319 -8.250 -1.953 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.551 -8.890 -0.142 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.663 -9.665 -1.439 1.00 0.00 H new ATOM 1009 N VAL A 64 6.959 -5.768 -3.971 1.00 0.00 N ATOM 1010 CA VAL A 64 7.259 -4.896 -5.153 1.00 0.00 C ATOM 1011 C VAL A 64 6.984 -3.432 -4.801 1.00 0.00 C ATOM 1012 O VAL A 64 7.676 -2.541 -5.250 1.00 0.00 O ATOM 1013 CB VAL A 64 6.366 -5.311 -6.327 1.00 0.00 C ATOM 1014 CG1 VAL A 64 6.711 -4.464 -7.555 1.00 0.00 C ATOM 1015 CG2 VAL A 64 6.599 -6.789 -6.651 1.00 0.00 C ATOM 0 H VAL A 64 5.985 -6.057 -3.882 1.00 0.00 H new ATOM 0 HA VAL A 64 8.308 -5.009 -5.428 1.00 0.00 H new ATOM 0 HB VAL A 64 5.321 -5.157 -6.058 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.076 -4.759 -8.390 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.546 -3.411 -7.328 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.756 -4.619 -7.822 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.963 -7.083 -7.486 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.644 -6.942 -6.919 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.356 -7.395 -5.779 1.00 0.00 H new ATOM 1025 N ILE A 65 5.984 -3.172 -3.999 1.00 0.00 N ATOM 1026 CA ILE A 65 5.671 -1.760 -3.626 1.00 0.00 C ATOM 1027 C ILE A 65 6.500 -1.354 -2.401 1.00 0.00 C ATOM 1028 O ILE A 65 6.708 -0.186 -2.156 1.00 0.00 O ATOM 1029 CB ILE A 65 4.174 -1.624 -3.310 1.00 0.00 C ATOM 1030 CG1 ILE A 65 3.333 -2.006 -4.558 1.00 0.00 C ATOM 1031 CG2 ILE A 65 3.877 -0.172 -2.903 1.00 0.00 C ATOM 1032 CD1 ILE A 65 2.965 -3.498 -4.516 1.00 0.00 C ATOM 0 H ILE A 65 5.371 -3.875 -3.587 1.00 0.00 H new ATOM 0 HA ILE A 65 5.919 -1.105 -4.461 1.00 0.00 H new ATOM 0 HB ILE A 65 3.911 -2.294 -2.492 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.427 -1.402 -4.593 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.897 -1.789 -5.465 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.816 -0.067 -2.677 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.463 0.086 -2.021 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.141 0.497 -3.722 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.375 -3.752 -5.397 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.876 -4.097 -4.503 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.383 -3.704 -3.618 1.00 0.00 H new ATOM 1044 N TRP A 66 6.984 -2.307 -1.634 1.00 0.00 N ATOM 1045 CA TRP A 66 7.819 -1.965 -0.431 1.00 0.00 C ATOM 1046 C TRP A 66 9.012 -2.934 -0.319 1.00 0.00 C ATOM 1047 O TRP A 66 9.055 -3.734 0.591 1.00 0.00 O ATOM 1048 CB TRP A 66 6.968 -2.080 0.838 1.00 0.00 C ATOM 1049 CG TRP A 66 5.908 -1.027 0.837 1.00 0.00 C ATOM 1050 CD1 TRP A 66 6.094 0.270 1.186 1.00 0.00 C ATOM 1051 CD2 TRP A 66 4.504 -1.162 0.487 1.00 0.00 C ATOM 1052 NE1 TRP A 66 4.889 0.944 1.066 1.00 0.00 N ATOM 1053 CE2 TRP A 66 3.878 0.108 0.636 1.00 0.00 C ATOM 1054 CE3 TRP A 66 3.715 -2.251 0.054 1.00 0.00 C ATOM 1055 CZ2 TRP A 66 2.514 0.288 0.365 1.00 0.00 C ATOM 1056 CZ3 TRP A 66 2.342 -2.074 -0.223 1.00 0.00 C ATOM 1057 CH2 TRP A 66 1.743 -0.806 -0.068 1.00 0.00 C ATOM 0 H TRP A 66 6.838 -3.305 -1.788 1.00 0.00 H new ATOM 0 HA TRP A 66 8.187 -0.945 -0.541 1.00 0.00 H new ATOM 0 HB2 TRP A 66 6.511 -3.068 0.891 1.00 0.00 H new ATOM 0 HB3 TRP A 66 7.599 -1.972 1.720 1.00 0.00 H new ATOM 0 HD1 TRP A 66 7.029 0.707 1.505 1.00 0.00 H new ATOM 0 HE1 TRP A 66 4.764 1.936 1.270 1.00 0.00 H new ATOM 0 HE3 TRP A 66 4.165 -3.225 -0.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 2.059 1.260 0.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 1.748 -2.913 -0.555 1.00 0.00 H new ATOM 0 HH2 TRP A 66 0.692 -0.675 -0.282 1.00 0.00 H new ATOM 1068 N PRO A 67 9.950 -2.844 -1.239 1.00 0.00 N ATOM 1069 CA PRO A 67 11.137 -3.726 -1.230 1.00 0.00 C ATOM 1070 C PRO A 67 12.099 -3.346 -0.085 1.00 0.00 C ATOM 1071 O PRO A 67 12.678 -4.199 0.558 1.00 0.00 O ATOM 1072 CB PRO A 67 11.809 -3.489 -2.605 1.00 0.00 C ATOM 1073 CG PRO A 67 11.096 -2.271 -3.265 1.00 0.00 C ATOM 1074 CD PRO A 67 9.909 -1.878 -2.357 1.00 0.00 C ATOM 0 HA PRO A 67 10.870 -4.771 -1.071 1.00 0.00 H new ATOM 0 HB2 PRO A 67 12.874 -3.291 -2.483 1.00 0.00 H new ATOM 0 HB3 PRO A 67 11.719 -4.374 -3.234 1.00 0.00 H new ATOM 0 HG2 PRO A 67 11.787 -1.436 -3.375 1.00 0.00 H new ATOM 0 HG3 PRO A 67 10.745 -2.528 -4.265 1.00 0.00 H new ATOM 0 HD2 PRO A 67 10.008 -0.854 -1.998 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.963 -1.937 -2.896 1.00 0.00 H new ATOM 1082 N SER A 68 12.296 -2.076 0.150 1.00 0.00 N ATOM 1083 CA SER A 68 13.246 -1.648 1.224 1.00 0.00 C ATOM 1084 C SER A 68 12.700 -2.009 2.611 1.00 0.00 C ATOM 1085 O SER A 68 13.331 -1.749 3.616 1.00 0.00 O ATOM 1086 CB SER A 68 13.449 -0.135 1.143 1.00 0.00 C ATOM 1087 OG SER A 68 12.405 0.517 1.856 1.00 0.00 O ATOM 0 H SER A 68 11.841 -1.315 -0.354 1.00 0.00 H new ATOM 0 HA SER A 68 14.194 -2.165 1.076 1.00 0.00 H new ATOM 0 HB2 SER A 68 14.417 0.137 1.563 1.00 0.00 H new ATOM 0 HB3 SER A 68 13.451 0.188 0.102 1.00 0.00 H new ATOM 0 HG SER A 68 11.560 0.405 1.373 1.00 0.00 H new ATOM 1093 N ARG A 69 11.539 -2.605 2.678 1.00 0.00 N ATOM 1094 CA ARG A 69 10.954 -2.984 4.008 1.00 0.00 C ATOM 1095 C ARG A 69 11.137 -4.486 4.250 1.00 0.00 C ATOM 1096 O ARG A 69 10.801 -4.992 5.299 1.00 0.00 O ATOM 1097 CB ARG A 69 9.457 -2.662 4.020 1.00 0.00 C ATOM 1098 CG ARG A 69 9.247 -1.141 3.989 1.00 0.00 C ATOM 1099 CD ARG A 69 7.815 -0.806 4.444 1.00 0.00 C ATOM 1100 NE ARG A 69 6.902 -1.929 4.091 1.00 0.00 N ATOM 1101 CZ ARG A 69 5.729 -2.013 4.654 1.00 0.00 C ATOM 1102 NH1 ARG A 69 5.360 -1.118 5.528 1.00 0.00 N ATOM 1103 NH2 ARG A 69 4.924 -2.992 4.342 1.00 0.00 N ATOM 0 H ARG A 69 10.966 -2.848 1.870 1.00 0.00 H new ATOM 0 HA ARG A 69 11.463 -2.422 4.791 1.00 0.00 H new ATOM 0 HB2 ARG A 69 8.971 -3.122 3.160 1.00 0.00 H new ATOM 0 HB3 ARG A 69 8.993 -3.083 4.912 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.970 -0.651 4.641 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.417 -0.761 2.982 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.796 -0.633 5.520 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.477 0.114 3.967 1.00 0.00 H new ATOM 0 HE ARG A 69 7.194 -2.631 3.410 1.00 0.00 H new ATOM 0 HH11 ARG A 69 5.989 -0.353 5.771 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.442 -1.183 5.969 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.213 -3.691 3.658 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.006 -3.058 4.782 1.00 0.00 H new ATOM 1117 N TYR A 70 11.664 -5.201 3.283 1.00 0.00 N ATOM 1118 CA TYR A 70 11.867 -6.684 3.441 1.00 0.00 C ATOM 1119 C TYR A 70 13.362 -7.005 3.368 1.00 0.00 C ATOM 1120 O TYR A 70 14.029 -7.138 4.374 1.00 0.00 O ATOM 1121 CB TYR A 70 11.141 -7.417 2.303 1.00 0.00 C ATOM 1122 CG TYR A 70 9.667 -7.490 2.613 1.00 0.00 C ATOM 1123 CD1 TYR A 70 9.192 -8.386 3.591 1.00 0.00 C ATOM 1124 CD2 TYR A 70 8.771 -6.658 1.928 1.00 0.00 C ATOM 1125 CE1 TYR A 70 7.814 -8.445 3.879 1.00 0.00 C ATOM 1126 CE2 TYR A 70 7.395 -6.710 2.216 1.00 0.00 C ATOM 1127 CZ TYR A 70 6.915 -7.606 3.192 1.00 0.00 C ATOM 1128 OH TYR A 70 5.565 -7.662 3.472 1.00 0.00 O ATOM 0 H TYR A 70 11.965 -4.822 2.385 1.00 0.00 H new ATOM 0 HA TYR A 70 11.469 -7.005 4.404 1.00 0.00 H new ATOM 0 HB2 TYR A 70 11.300 -6.894 1.360 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.549 -8.421 2.184 1.00 0.00 H new ATOM 0 HD1 TYR A 70 9.883 -9.027 4.119 1.00 0.00 H new ATOM 0 HD2 TYR A 70 9.138 -5.975 1.177 1.00 0.00 H new ATOM 0 HE1 TYR A 70 7.447 -9.133 4.626 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.708 -6.064 1.690 1.00 0.00 H new ATOM 0 HH TYR A 70 5.087 -7.017 2.910 1.00 0.00 H new ATOM 1138 N GLN A 71 13.888 -7.147 2.182 1.00 0.00 N ATOM 1139 CA GLN A 71 15.334 -7.473 2.041 1.00 0.00 C ATOM 1140 C GLN A 71 15.811 -7.048 0.653 1.00 0.00 C ATOM 1141 O GLN A 71 16.471 -6.039 0.499 1.00 0.00 O ATOM 1142 CB GLN A 71 15.532 -8.983 2.219 1.00 0.00 C ATOM 1143 CG GLN A 71 17.027 -9.313 2.308 1.00 0.00 C ATOM 1144 CD GLN A 71 17.653 -9.239 0.917 1.00 0.00 C ATOM 1145 OE1 GLN A 71 18.209 -8.226 0.542 1.00 0.00 O ATOM 1146 NE2 GLN A 71 17.585 -10.275 0.130 1.00 0.00 N ATOM 0 H GLN A 71 13.378 -7.051 1.304 1.00 0.00 H new ATOM 0 HA GLN A 71 15.910 -6.943 2.799 1.00 0.00 H new ATOM 0 HB2 GLN A 71 15.023 -9.320 3.122 1.00 0.00 H new ATOM 0 HB3 GLN A 71 15.083 -9.517 1.382 1.00 0.00 H new ATOM 0 HG2 GLN A 71 17.525 -8.613 2.979 1.00 0.00 H new ATOM 0 HG3 GLN A 71 17.165 -10.310 2.727 1.00 0.00 H new ATOM 0 HE21 GLN A 71 17.118 -11.125 0.445 1.00 0.00 H new ATOM 0 HE22 GLN A 71 17.999 -10.236 -0.802 1.00 0.00 H new ATOM 1155 N ALA A 72 15.483 -7.815 -0.358 1.00 0.00 N ATOM 1156 CA ALA A 72 15.911 -7.471 -1.755 1.00 0.00 C ATOM 1157 C ALA A 72 14.679 -7.366 -2.656 1.00 0.00 C ATOM 1158 O ALA A 72 14.328 -6.299 -3.122 1.00 0.00 O ATOM 1159 CB ALA A 72 16.826 -8.573 -2.291 1.00 0.00 C ATOM 0 H ALA A 72 14.934 -8.671 -0.277 1.00 0.00 H new ATOM 0 HA ALA A 72 16.442 -6.519 -1.746 1.00 0.00 H new ATOM 0 HB1 ALA A 72 17.138 -8.325 -3.306 1.00 0.00 H new ATOM 0 HB2 ALA A 72 17.705 -8.659 -1.652 1.00 0.00 H new ATOM 0 HB3 ALA A 72 16.288 -9.521 -2.298 1.00 0.00 H new ATOM 1165 N GLY A 73 14.029 -8.466 -2.912 1.00 0.00 N ATOM 1166 CA GLY A 73 12.826 -8.435 -3.791 1.00 0.00 C ATOM 1167 C GLY A 73 13.261 -8.200 -5.238 1.00 0.00 C ATOM 1168 O GLY A 73 14.434 -8.234 -5.554 1.00 0.00 O ATOM 0 H GLY A 73 14.278 -9.387 -2.551 1.00 0.00 H new ATOM 0 HA2 GLY A 73 12.280 -9.375 -3.712 1.00 0.00 H new ATOM 0 HA3 GLY A 73 12.148 -7.644 -3.470 1.00 0.00 H new ATOM 1172 N GLU A 74 12.325 -7.962 -6.121 1.00 0.00 N ATOM 1173 CA GLU A 74 12.678 -7.724 -7.554 1.00 0.00 C ATOM 1174 C GLU A 74 11.766 -6.637 -8.126 1.00 0.00 C ATOM 1175 O GLU A 74 10.567 -6.732 -7.928 1.00 0.00 O ATOM 1176 CB GLU A 74 12.477 -9.017 -8.354 1.00 0.00 C ATOM 1177 CG GLU A 74 13.607 -10.007 -8.046 1.00 0.00 C ATOM 1178 CD GLU A 74 14.898 -9.550 -8.730 1.00 0.00 C ATOM 1179 OE1 GLU A 74 14.809 -8.780 -9.672 1.00 0.00 O ATOM 1180 OE2 GLU A 74 15.954 -9.983 -8.301 1.00 0.00 O ATOM 1181 OXT GLU A 74 12.284 -5.727 -8.755 1.00 0.00 O ATOM 0 H GLU A 74 11.328 -7.922 -5.911 1.00 0.00 H new ATOM 0 HA GLU A 74 13.719 -7.409 -7.622 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.514 -9.463 -8.104 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.458 -8.795 -9.421 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.760 -10.075 -6.969 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.334 -11.004 -8.393 1.00 0.00 H new TER 1188 GLU A 74