USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=16 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 Set 1.1: A 24 SER OG : rot 180:sc= -1.4 USER MOD Set 1.2: A 26 SER OG : rot 180:sc= 0.00122 USER MOD Single : A 1 CYS N :NH3+ -109:sc= 0.0328 (180deg=0) USER MOD Single : A 1 CYS SG : rot -60:sc= -0.0502 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= -0.0229 K(o=-0.023,f=-1.4) USER MOD Single : A 5 LYS NZ :NH3+ -158:sc= -0.0441 (180deg=-0.493) USER MOD Single : A 10 HIS : no HD1:sc= -4.13! C(o=-4.1!,f=-3.5!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -163:sc= -0.0246 (180deg=-0.366) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -60:sc= 0.135 USER MOD Single : A 31 GLN : amide:sc= -0.529 K(o=-0.53,f=-4.4!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0683 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -2.84! C(o=-2.8!,f=-2.3!) USER MOD Single : A 46 HIS : no HD1:sc= -1.36! C(o=-1.4!,f=-4.1!) USER MOD Single : A 49 LYS NZ :NH3+ 158:sc= -0.206 (180deg=-1.29!) USER MOD Single : A 52 GLN : amide:sc= -2.43 K(o=-2.4,f=-0.35) USER MOD Single : A 56 ASN : amide:sc= -2.98 X(o=-3,f=-3.1!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0419 USER MOD Single : A 61 LYS NZ :NH3+ -136:sc= -0.738 (180deg=-1.63!) USER MOD Single : A 68 SER OG : rot 180:sc= -0.662! USER MOD Single : A 70 TYR OH : rot 131:sc= 0.374 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 19.188 7.811 9.018 1.00 0.00 N ATOM 2 CA CYS A 1 18.474 7.482 7.754 1.00 0.00 C ATOM 3 C CYS A 1 17.113 8.181 7.739 1.00 0.00 C ATOM 4 O CYS A 1 16.471 8.331 8.760 1.00 0.00 O ATOM 5 CB CYS A 1 18.273 5.968 7.661 1.00 0.00 C ATOM 6 SG CYS A 1 17.384 5.571 6.136 1.00 0.00 S ATOM 0 H1 CYS A 1 19.985 8.446 8.811 1.00 0.00 H new ATOM 0 H2 CYS A 1 18.532 8.280 9.675 1.00 0.00 H new ATOM 0 H3 CYS A 1 19.546 6.936 9.452 1.00 0.00 H new ATOM 0 HA CYS A 1 19.065 7.822 6.904 1.00 0.00 H new ATOM 0 HB2 CYS A 1 19.238 5.461 7.675 1.00 0.00 H new ATOM 0 HB3 CYS A 1 17.713 5.611 8.525 1.00 0.00 H new ATOM 0 HG CYS A 1 16.228 6.166 6.140 1.00 0.00 H new ATOM 14 N SER A 2 16.669 8.609 6.589 1.00 0.00 N ATOM 15 CA SER A 2 15.349 9.297 6.509 1.00 0.00 C ATOM 16 C SER A 2 14.229 8.255 6.525 1.00 0.00 C ATOM 17 O SER A 2 14.320 7.223 5.890 1.00 0.00 O ATOM 18 CB SER A 2 15.274 10.109 5.213 1.00 0.00 C ATOM 19 OG SER A 2 13.912 10.274 4.841 1.00 0.00 O ATOM 0 H SER A 2 17.163 8.512 5.702 1.00 0.00 H new ATOM 0 HA SER A 2 15.235 9.965 7.363 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.746 11.082 5.352 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.821 9.600 4.419 1.00 0.00 H new ATOM 0 HG SER A 2 13.860 10.795 4.012 1.00 0.00 H new ATOM 25 N ASN A 3 13.172 8.518 7.249 1.00 0.00 N ATOM 26 CA ASN A 3 12.038 7.546 7.315 1.00 0.00 C ATOM 27 C ASN A 3 10.940 7.975 6.340 1.00 0.00 C ATOM 28 O ASN A 3 10.076 7.198 5.981 1.00 0.00 O ATOM 29 CB ASN A 3 11.476 7.527 8.738 1.00 0.00 C ATOM 30 CG ASN A 3 12.596 7.190 9.723 1.00 0.00 C ATOM 31 OD1 ASN A 3 13.602 6.622 9.345 1.00 0.00 O ATOM 32 ND2 ASN A 3 12.466 7.515 10.981 1.00 0.00 N ATOM 0 H ASN A 3 13.044 9.367 7.800 1.00 0.00 H new ATOM 0 HA ASN A 3 12.392 6.551 7.046 1.00 0.00 H new ATOM 0 HB2 ASN A 3 11.042 8.497 8.982 1.00 0.00 H new ATOM 0 HB3 ASN A 3 10.676 6.791 8.815 1.00 0.00 H new ATOM 0 HD21 ASN A 3 13.208 7.292 11.645 1.00 0.00 H new ATOM 0 HD22 ASN A 3 11.623 7.992 11.300 1.00 0.00 H new ATOM 39 N GLU A 4 10.963 9.207 5.909 1.00 0.00 N ATOM 40 CA GLU A 4 9.921 9.688 4.957 1.00 0.00 C ATOM 41 C GLU A 4 10.338 9.347 3.523 1.00 0.00 C ATOM 42 O GLU A 4 11.507 9.215 3.222 1.00 0.00 O ATOM 43 CB GLU A 4 9.765 11.207 5.099 1.00 0.00 C ATOM 44 CG GLU A 4 9.811 11.592 6.582 1.00 0.00 C ATOM 45 CD GLU A 4 9.209 12.986 6.772 1.00 0.00 C ATOM 46 OE1 GLU A 4 9.542 13.865 5.992 1.00 0.00 O ATOM 47 OE2 GLU A 4 8.423 13.151 7.690 1.00 0.00 O ATOM 0 H GLU A 4 11.660 9.903 6.176 1.00 0.00 H new ATOM 0 HA GLU A 4 8.972 9.202 5.181 1.00 0.00 H new ATOM 0 HB2 GLU A 4 10.561 11.717 4.556 1.00 0.00 H new ATOM 0 HB3 GLU A 4 8.821 11.529 4.658 1.00 0.00 H new ATOM 0 HG2 GLU A 4 9.258 10.863 7.174 1.00 0.00 H new ATOM 0 HG3 GLU A 4 10.841 11.578 6.939 1.00 0.00 H new ATOM 54 N LYS A 5 9.389 9.216 2.634 1.00 0.00 N ATOM 55 CA LYS A 5 9.730 8.896 1.217 1.00 0.00 C ATOM 56 C LYS A 5 10.668 7.686 1.169 1.00 0.00 C ATOM 57 O LYS A 5 10.234 6.555 1.079 1.00 0.00 O ATOM 58 CB LYS A 5 10.421 10.107 0.584 1.00 0.00 C ATOM 59 CG LYS A 5 9.436 11.289 0.505 1.00 0.00 C ATOM 60 CD LYS A 5 10.210 12.611 0.474 1.00 0.00 C ATOM 61 CE LYS A 5 9.239 13.768 0.222 1.00 0.00 C ATOM 62 NZ LYS A 5 8.695 13.668 -1.162 1.00 0.00 N ATOM 0 H LYS A 5 8.393 9.317 2.828 1.00 0.00 H new ATOM 0 HA LYS A 5 8.819 8.661 0.666 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.294 10.388 1.173 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.779 9.853 -0.414 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.817 11.199 -0.388 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.763 11.271 1.363 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.733 12.761 1.419 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.968 12.582 -0.309 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.426 13.738 0.947 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.750 14.721 0.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.352 14.601 -1.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.444 13.346 -1.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.908 12.988 -1.178 1.00 0.00 H new ATOM 76 N ALA A 6 11.952 7.916 1.232 1.00 0.00 N ATOM 77 CA ALA A 6 12.922 6.784 1.190 1.00 0.00 C ATOM 78 C ALA A 6 12.779 6.021 -0.132 1.00 0.00 C ATOM 79 O ALA A 6 12.590 6.605 -1.181 1.00 0.00 O ATOM 80 CB ALA A 6 12.656 5.836 2.364 1.00 0.00 C ATOM 0 H ALA A 6 12.372 8.842 1.311 1.00 0.00 H new ATOM 0 HA ALA A 6 13.935 7.179 1.265 1.00 0.00 H new ATOM 0 HB1 ALA A 6 13.366 5.009 2.332 1.00 0.00 H new ATOM 0 HB2 ALA A 6 12.772 6.378 3.303 1.00 0.00 H new ATOM 0 HB3 ALA A 6 11.641 5.446 2.294 1.00 0.00 H new ATOM 86 N ARG A 7 12.869 4.716 -0.085 1.00 0.00 N ATOM 87 CA ARG A 7 12.744 3.904 -1.335 1.00 0.00 C ATOM 88 C ARG A 7 11.290 3.445 -1.491 1.00 0.00 C ATOM 89 O ARG A 7 10.925 2.828 -2.472 1.00 0.00 O ATOM 90 CB ARG A 7 13.647 2.656 -1.250 1.00 0.00 C ATOM 91 CG ARG A 7 15.015 3.000 -0.641 1.00 0.00 C ATOM 92 CD ARG A 7 15.857 3.763 -1.664 1.00 0.00 C ATOM 93 NE ARG A 7 16.059 2.909 -2.870 1.00 0.00 N ATOM 94 CZ ARG A 7 16.506 3.436 -3.979 1.00 0.00 C ATOM 95 NH1 ARG A 7 16.785 4.710 -4.032 1.00 0.00 N ATOM 96 NH2 ARG A 7 16.677 2.688 -5.035 1.00 0.00 N ATOM 0 H ARG A 7 13.024 4.176 0.766 1.00 0.00 H new ATOM 0 HA ARG A 7 13.046 4.514 -2.186 1.00 0.00 H new ATOM 0 HB2 ARG A 7 13.159 1.891 -0.646 1.00 0.00 H new ATOM 0 HB3 ARG A 7 13.785 2.235 -2.246 1.00 0.00 H new ATOM 0 HG2 ARG A 7 14.883 3.603 0.258 1.00 0.00 H new ATOM 0 HG3 ARG A 7 15.530 2.088 -0.340 1.00 0.00 H new ATOM 0 HD2 ARG A 7 15.359 4.692 -1.941 1.00 0.00 H new ATOM 0 HD3 ARG A 7 16.820 4.034 -1.230 1.00 0.00 H new ATOM 0 HE ARG A 7 15.848 1.912 -2.829 1.00 0.00 H new ATOM 0 HH11 ARG A 7 16.654 5.295 -3.207 1.00 0.00 H new ATOM 0 HH12 ARG A 7 17.134 5.120 -4.898 1.00 0.00 H new ATOM 0 HH21 ARG A 7 16.462 1.692 -4.995 1.00 0.00 H new ATOM 0 HH22 ARG A 7 17.026 3.100 -5.901 1.00 0.00 H new ATOM 110 N ASP A 8 10.465 3.725 -0.523 1.00 0.00 N ATOM 111 CA ASP A 8 9.043 3.286 -0.606 1.00 0.00 C ATOM 112 C ASP A 8 8.278 4.125 -1.632 1.00 0.00 C ATOM 113 O ASP A 8 8.639 5.243 -1.943 1.00 0.00 O ATOM 114 CB ASP A 8 8.376 3.448 0.762 1.00 0.00 C ATOM 115 CG ASP A 8 9.301 2.898 1.849 1.00 0.00 C ATOM 116 OD1 ASP A 8 10.452 3.304 1.879 1.00 0.00 O ATOM 117 OD2 ASP A 8 8.844 2.084 2.634 1.00 0.00 O ATOM 0 H ASP A 8 10.712 4.239 0.323 1.00 0.00 H new ATOM 0 HA ASP A 8 9.023 2.240 -0.914 1.00 0.00 H new ATOM 0 HB2 ASP A 8 8.160 4.500 0.951 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.423 2.919 0.779 1.00 0.00 H new ATOM 122 N TRP A 9 7.201 3.588 -2.132 1.00 0.00 N ATOM 123 CA TRP A 9 6.367 4.319 -3.124 1.00 0.00 C ATOM 124 C TRP A 9 5.716 5.513 -2.422 1.00 0.00 C ATOM 125 O TRP A 9 4.871 5.342 -1.568 1.00 0.00 O ATOM 126 CB TRP A 9 5.265 3.377 -3.621 1.00 0.00 C ATOM 127 CG TRP A 9 5.831 2.353 -4.560 1.00 0.00 C ATOM 128 CD1 TRP A 9 6.934 1.598 -4.330 1.00 0.00 C ATOM 129 CD2 TRP A 9 5.287 1.899 -5.835 1.00 0.00 C ATOM 130 NE1 TRP A 9 7.135 0.756 -5.408 1.00 0.00 N ATOM 131 CE2 TRP A 9 6.142 0.891 -6.357 1.00 0.00 C ATOM 132 CE3 TRP A 9 4.155 2.274 -6.591 1.00 0.00 C ATOM 133 CZ2 TRP A 9 5.878 0.272 -7.589 1.00 0.00 C ATOM 134 CZ3 TRP A 9 3.884 1.652 -7.829 1.00 0.00 C ATOM 135 CH2 TRP A 9 4.744 0.654 -8.326 1.00 0.00 C ATOM 0 H TRP A 9 6.858 2.658 -1.891 1.00 0.00 H new ATOM 0 HA TRP A 9 6.977 4.659 -3.961 1.00 0.00 H new ATOM 0 HB2 TRP A 9 4.794 2.880 -2.773 1.00 0.00 H new ATOM 0 HB3 TRP A 9 4.488 3.951 -4.126 1.00 0.00 H new ATOM 0 HD1 TRP A 9 7.555 1.647 -3.448 1.00 0.00 H new ATOM 0 HE1 TRP A 9 7.922 0.113 -5.492 1.00 0.00 H new ATOM 0 HE3 TRP A 9 3.492 3.042 -6.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 6.541 -0.492 -7.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 3.013 1.943 -8.397 1.00 0.00 H new ATOM 0 HH2 TRP A 9 4.532 0.182 -9.274 1.00 0.00 H new ATOM 146 N HIS A 10 6.099 6.715 -2.780 1.00 0.00 N ATOM 147 CA HIS A 10 5.502 7.931 -2.139 1.00 0.00 C ATOM 148 C HIS A 10 3.998 7.723 -1.919 1.00 0.00 C ATOM 149 O HIS A 10 3.369 6.943 -2.607 1.00 0.00 O ATOM 150 CB HIS A 10 5.719 9.145 -3.054 1.00 0.00 C ATOM 151 CG HIS A 10 7.095 9.082 -3.664 1.00 0.00 C ATOM 152 ND1 HIS A 10 7.398 9.703 -4.866 1.00 0.00 N ATOM 153 CD2 HIS A 10 8.257 8.481 -3.249 1.00 0.00 C ATOM 154 CE1 HIS A 10 8.696 9.463 -5.129 1.00 0.00 C ATOM 155 NE2 HIS A 10 9.267 8.724 -4.177 1.00 0.00 N ATOM 0 H HIS A 10 6.803 6.908 -3.492 1.00 0.00 H new ATOM 0 HA HIS A 10 5.984 8.102 -1.176 1.00 0.00 H new ATOM 0 HB2 HIS A 10 4.963 9.160 -3.839 1.00 0.00 H new ATOM 0 HB3 HIS A 10 5.605 10.067 -2.484 1.00 0.00 H new ATOM 0 HD2 HIS A 10 8.371 7.907 -2.341 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.213 9.825 -6.005 1.00 0.00 H new ATOM 0 HE2 HIS A 10 10.235 8.405 -4.137 1.00 0.00 H new ATOM 163 N ARG A 11 3.417 8.401 -0.968 1.00 0.00 N ATOM 164 CA ARG A 11 1.958 8.222 -0.720 1.00 0.00 C ATOM 165 C ARG A 11 1.205 8.451 -2.031 1.00 0.00 C ATOM 166 O ARG A 11 0.110 7.964 -2.229 1.00 0.00 O ATOM 167 CB ARG A 11 1.464 9.231 0.328 1.00 0.00 C ATOM 168 CG ARG A 11 2.175 8.998 1.686 1.00 0.00 C ATOM 169 CD ARG A 11 3.425 9.898 1.823 1.00 0.00 C ATOM 170 NE ARG A 11 4.539 9.120 2.456 1.00 0.00 N ATOM 171 CZ ARG A 11 4.340 8.403 3.532 1.00 0.00 C ATOM 172 NH1 ARG A 11 3.204 8.464 4.169 1.00 0.00 N ATOM 173 NH2 ARG A 11 5.302 7.653 3.996 1.00 0.00 N ATOM 0 H ARG A 11 3.886 9.068 -0.355 1.00 0.00 H new ATOM 0 HA ARG A 11 1.779 7.213 -0.348 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.654 10.247 -0.019 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.386 9.134 0.454 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.483 9.205 2.502 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.466 7.951 1.773 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.733 10.261 0.843 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.190 10.774 2.428 1.00 0.00 H new ATOM 0 HE ARG A 11 5.470 9.150 2.040 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.461 9.075 3.829 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.058 7.901 5.007 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.204 7.628 3.520 1.00 0.00 H new ATOM 0 HH22 ARG A 11 5.152 7.092 4.835 1.00 0.00 H new ATOM 187 N ALA A 12 1.786 9.203 -2.928 1.00 0.00 N ATOM 188 CA ALA A 12 1.114 9.473 -4.231 1.00 0.00 C ATOM 189 C ALA A 12 1.500 8.380 -5.225 1.00 0.00 C ATOM 190 O ALA A 12 0.760 8.067 -6.129 1.00 0.00 O ATOM 191 CB ALA A 12 1.563 10.831 -4.766 1.00 0.00 C ATOM 0 H ALA A 12 2.699 9.643 -2.813 1.00 0.00 H new ATOM 0 HA ALA A 12 0.033 9.481 -4.093 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.071 11.027 -5.719 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.295 11.610 -4.052 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.643 10.826 -4.910 1.00 0.00 H new ATOM 197 N ASP A 13 2.649 7.791 -5.063 1.00 0.00 N ATOM 198 CA ASP A 13 3.062 6.714 -6.004 1.00 0.00 C ATOM 199 C ASP A 13 2.160 5.507 -5.779 1.00 0.00 C ATOM 200 O ASP A 13 1.924 4.713 -6.668 1.00 0.00 O ATOM 201 CB ASP A 13 4.515 6.331 -5.734 1.00 0.00 C ATOM 202 CG ASP A 13 5.445 7.431 -6.254 1.00 0.00 C ATOM 203 OD1 ASP A 13 4.989 8.239 -7.046 1.00 0.00 O ATOM 204 OD2 ASP A 13 6.595 7.444 -5.850 1.00 0.00 O ATOM 0 H ASP A 13 3.318 8.006 -4.324 1.00 0.00 H new ATOM 0 HA ASP A 13 2.973 7.058 -7.034 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.670 6.186 -4.665 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.748 5.384 -6.221 1.00 0.00 H new ATOM 209 N VAL A 14 1.635 5.380 -4.593 1.00 0.00 N ATOM 210 CA VAL A 14 0.736 4.236 -4.292 1.00 0.00 C ATOM 211 C VAL A 14 -0.645 4.513 -4.887 1.00 0.00 C ATOM 212 O VAL A 14 -1.185 3.714 -5.622 1.00 0.00 O ATOM 213 CB VAL A 14 0.606 4.086 -2.771 1.00 0.00 C ATOM 214 CG1 VAL A 14 -0.484 3.063 -2.436 1.00 0.00 C ATOM 215 CG2 VAL A 14 1.944 3.628 -2.188 1.00 0.00 C ATOM 0 H VAL A 14 1.792 6.023 -3.817 1.00 0.00 H new ATOM 0 HA VAL A 14 1.146 3.322 -4.720 1.00 0.00 H new ATOM 0 HB VAL A 14 0.332 5.048 -2.338 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.569 2.963 -1.354 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.437 3.399 -2.845 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.223 2.098 -2.870 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.852 3.521 -1.107 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.222 2.669 -2.625 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.712 4.367 -2.416 1.00 0.00 H new ATOM 225 N ILE A 15 -1.223 5.631 -4.557 1.00 0.00 N ATOM 226 CA ILE A 15 -2.583 5.953 -5.074 1.00 0.00 C ATOM 227 C ILE A 15 -2.509 6.430 -6.528 1.00 0.00 C ATOM 228 O ILE A 15 -3.270 5.997 -7.363 1.00 0.00 O ATOM 229 CB ILE A 15 -3.221 7.041 -4.201 1.00 0.00 C ATOM 230 CG1 ILE A 15 -3.098 6.654 -2.705 1.00 0.00 C ATOM 231 CG2 ILE A 15 -4.701 7.176 -4.581 1.00 0.00 C ATOM 232 CD1 ILE A 15 -3.110 7.908 -1.831 1.00 0.00 C ATOM 0 H ILE A 15 -0.812 6.340 -3.949 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.194 5.051 -5.037 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.709 7.990 -4.362 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.921 5.998 -2.423 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.176 6.097 -2.541 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.166 7.947 -3.966 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.783 7.452 -5.632 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.208 6.225 -4.414 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.023 7.622 -0.783 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.271 8.549 -2.103 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.044 8.449 -1.983 1.00 0.00 H new ATOM 244 N ALA A 16 -1.613 7.319 -6.848 1.00 0.00 N ATOM 245 CA ALA A 16 -1.531 7.789 -8.261 1.00 0.00 C ATOM 246 C ALA A 16 -1.351 6.579 -9.179 1.00 0.00 C ATOM 247 O ALA A 16 -1.994 6.461 -10.205 1.00 0.00 O ATOM 248 CB ALA A 16 -0.349 8.745 -8.439 1.00 0.00 C ATOM 0 H ALA A 16 -0.941 7.737 -6.204 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.449 8.319 -8.515 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.304 9.078 -9.476 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.477 9.608 -7.786 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.577 8.230 -8.183 1.00 0.00 H new ATOM 254 N GLY A 17 -0.480 5.678 -8.813 1.00 0.00 N ATOM 255 CA GLY A 17 -0.242 4.471 -9.654 1.00 0.00 C ATOM 256 C GLY A 17 -1.469 3.557 -9.631 1.00 0.00 C ATOM 257 O GLY A 17 -1.973 3.154 -10.659 1.00 0.00 O ATOM 0 H GLY A 17 0.080 5.727 -7.962 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.023 4.771 -10.679 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.630 3.930 -9.287 1.00 0.00 H new ATOM 261 N LEU A 18 -1.953 3.223 -8.465 1.00 0.00 N ATOM 262 CA LEU A 18 -3.145 2.332 -8.385 1.00 0.00 C ATOM 263 C LEU A 18 -4.339 3.032 -9.043 1.00 0.00 C ATOM 264 O LEU A 18 -4.968 2.501 -9.937 1.00 0.00 O ATOM 265 CB LEU A 18 -3.452 2.034 -6.905 1.00 0.00 C ATOM 266 CG LEU A 18 -2.532 0.907 -6.385 1.00 0.00 C ATOM 267 CD1 LEU A 18 -2.457 0.946 -4.858 1.00 0.00 C ATOM 268 CD2 LEU A 18 -3.085 -0.465 -6.796 1.00 0.00 C ATOM 0 H LEU A 18 -1.576 3.528 -7.568 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.951 1.394 -8.905 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.309 2.935 -6.308 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.496 1.741 -6.795 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.542 1.058 -6.815 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.806 0.147 -4.505 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.057 1.908 -4.538 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.455 0.811 -4.441 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.427 -1.249 -6.423 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.082 -0.597 -6.374 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.140 -0.524 -7.883 1.00 0.00 H new ATOM 280 N LYS A 19 -4.647 4.220 -8.613 1.00 0.00 N ATOM 281 CA LYS A 19 -5.795 4.965 -9.209 1.00 0.00 C ATOM 282 C LYS A 19 -5.561 5.162 -10.706 1.00 0.00 C ATOM 283 O LYS A 19 -6.459 5.533 -11.437 1.00 0.00 O ATOM 284 CB LYS A 19 -5.920 6.329 -8.529 1.00 0.00 C ATOM 285 CG LYS A 19 -7.103 7.096 -9.132 1.00 0.00 C ATOM 286 CD LYS A 19 -7.467 8.297 -8.236 1.00 0.00 C ATOM 287 CE LYS A 19 -8.435 7.862 -7.128 1.00 0.00 C ATOM 288 NZ LYS A 19 -8.880 9.060 -6.361 1.00 0.00 N ATOM 0 H LYS A 19 -4.152 4.713 -7.870 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.712 4.395 -9.061 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.065 6.200 -7.456 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.000 6.898 -8.660 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.849 7.443 -10.134 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.963 6.434 -9.233 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.563 8.717 -7.794 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.922 9.083 -8.838 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.296 7.353 -7.561 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.947 7.151 -6.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.536 8.767 -5.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.053 9.527 -5.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.361 9.723 -7.001 1.00 0.00 H new ATOM 302 N LYS A 20 -4.370 4.918 -11.174 1.00 0.00 N ATOM 303 CA LYS A 20 -4.105 5.095 -12.626 1.00 0.00 C ATOM 304 C LYS A 20 -5.085 4.235 -13.400 1.00 0.00 C ATOM 305 O LYS A 20 -5.505 4.573 -14.489 1.00 0.00 O ATOM 306 CB LYS A 20 -2.666 4.684 -12.952 1.00 0.00 C ATOM 307 CG LYS A 20 -2.307 5.147 -14.366 1.00 0.00 C ATOM 308 CD LYS A 20 -1.031 4.436 -14.826 1.00 0.00 C ATOM 309 CE LYS A 20 -0.625 4.949 -16.207 1.00 0.00 C ATOM 310 NZ LYS A 20 -1.663 4.567 -17.207 1.00 0.00 N ATOM 0 H LYS A 20 -3.574 4.606 -10.618 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.231 6.141 -12.904 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.979 5.124 -12.229 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.560 3.602 -12.875 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.126 4.928 -15.051 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.160 6.227 -14.381 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.227 4.612 -14.111 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.196 3.359 -14.861 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.509 6.033 -16.184 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.340 4.531 -16.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.269 4.652 -18.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.960 3.584 -17.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.484 5.198 -17.113 1.00 0.00 H new ATOM 324 N ARG A 21 -5.493 3.145 -12.821 1.00 0.00 N ATOM 325 CA ARG A 21 -6.490 2.275 -13.481 1.00 0.00 C ATOM 326 C ARG A 21 -7.837 2.660 -12.892 1.00 0.00 C ATOM 327 O ARG A 21 -8.457 3.613 -13.319 1.00 0.00 O ATOM 328 CB ARG A 21 -6.186 0.809 -13.163 1.00 0.00 C ATOM 329 CG ARG A 21 -5.036 0.319 -14.045 1.00 0.00 C ATOM 330 CD ARG A 21 -4.715 -1.137 -13.700 1.00 0.00 C ATOM 331 NE ARG A 21 -5.956 -1.953 -13.813 1.00 0.00 N ATOM 332 CZ ARG A 21 -5.880 -3.255 -13.844 1.00 0.00 C ATOM 333 NH1 ARG A 21 -4.715 -3.843 -13.782 1.00 0.00 N ATOM 334 NH2 ARG A 21 -6.968 -3.972 -13.939 1.00 0.00 N ATOM 0 H ARG A 21 -5.173 2.819 -11.909 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.476 2.396 -14.564 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.922 0.702 -12.111 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.073 0.198 -13.332 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.309 0.403 -15.097 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.155 0.943 -13.893 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.950 -1.522 -14.374 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.313 -1.203 -12.689 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.865 -1.494 -13.866 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.865 -3.284 -13.709 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.656 -4.861 -13.806 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.878 -3.514 -13.989 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.907 -4.990 -13.963 1.00 0.00 H new ATOM 348 N LYS A 22 -8.275 1.960 -11.890 1.00 0.00 N ATOM 349 CA LYS A 22 -9.563 2.321 -11.232 1.00 0.00 C ATOM 350 C LYS A 22 -9.549 1.818 -9.785 1.00 0.00 C ATOM 351 O LYS A 22 -10.428 1.087 -9.375 1.00 0.00 O ATOM 352 CB LYS A 22 -10.741 1.688 -11.978 1.00 0.00 C ATOM 353 CG LYS A 22 -10.869 2.308 -13.375 1.00 0.00 C ATOM 354 CD LYS A 22 -12.238 1.951 -13.989 1.00 0.00 C ATOM 355 CE LYS A 22 -13.292 2.986 -13.573 1.00 0.00 C ATOM 356 NZ LYS A 22 -13.208 4.167 -14.478 1.00 0.00 N ATOM 0 H LYS A 22 -7.798 1.150 -11.494 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.677 3.405 -11.250 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.594 0.611 -12.061 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.663 1.841 -11.417 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.761 3.391 -13.312 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.067 1.944 -14.018 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.160 1.918 -15.076 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.544 0.958 -13.661 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -14.288 2.547 -13.621 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.129 3.293 -12.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.921 4.870 -14.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.260 4.590 -14.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.384 3.867 -15.458 1.00 0.00 H new ATOM 370 N LEU A 23 -8.554 2.187 -9.013 1.00 0.00 N ATOM 371 CA LEU A 23 -8.477 1.710 -7.592 1.00 0.00 C ATOM 372 C LEU A 23 -8.225 2.889 -6.647 1.00 0.00 C ATOM 373 O LEU A 23 -7.596 3.865 -6.997 1.00 0.00 O ATOM 374 CB LEU A 23 -7.303 0.739 -7.442 1.00 0.00 C ATOM 375 CG LEU A 23 -7.530 -0.564 -8.216 1.00 0.00 C ATOM 376 CD1 LEU A 23 -6.326 -1.480 -7.964 1.00 0.00 C ATOM 377 CD2 LEU A 23 -8.821 -1.259 -7.742 1.00 0.00 C ATOM 0 H LEU A 23 -7.791 2.798 -9.304 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.421 1.224 -7.343 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.390 1.217 -7.797 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.154 0.512 -6.386 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.634 -0.348 -9.279 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.462 -2.417 -8.505 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.417 -0.989 -8.311 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.242 -1.686 -6.897 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.964 -2.182 -8.304 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.741 -1.489 -6.680 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.672 -0.598 -7.907 1.00 0.00 H new ATOM 389 N SER A 24 -8.699 2.789 -5.436 1.00 0.00 N ATOM 390 CA SER A 24 -8.477 3.878 -4.441 1.00 0.00 C ATOM 391 C SER A 24 -8.448 3.264 -3.041 1.00 0.00 C ATOM 392 O SER A 24 -9.288 2.459 -2.699 1.00 0.00 O ATOM 393 CB SER A 24 -9.612 4.898 -4.532 1.00 0.00 C ATOM 394 OG SER A 24 -10.856 4.212 -4.590 1.00 0.00 O ATOM 0 H SER A 24 -9.235 1.993 -5.090 1.00 0.00 H new ATOM 0 HA SER A 24 -7.532 4.381 -4.646 1.00 0.00 H new ATOM 0 HB2 SER A 24 -9.590 5.562 -3.668 1.00 0.00 H new ATOM 0 HB3 SER A 24 -9.486 5.522 -5.417 1.00 0.00 H new ATOM 0 HG SER A 24 -11.586 4.863 -4.647 1.00 0.00 H new ATOM 400 N LEU A 25 -7.485 3.623 -2.227 1.00 0.00 N ATOM 401 CA LEU A 25 -7.421 3.037 -0.851 1.00 0.00 C ATOM 402 C LEU A 25 -8.813 3.076 -0.213 1.00 0.00 C ATOM 403 O LEU A 25 -9.159 2.240 0.598 1.00 0.00 O ATOM 404 CB LEU A 25 -6.451 3.838 0.027 1.00 0.00 C ATOM 405 CG LEU A 25 -5.024 3.781 -0.551 1.00 0.00 C ATOM 406 CD1 LEU A 25 -4.193 4.935 0.017 1.00 0.00 C ATOM 407 CD2 LEU A 25 -4.350 2.452 -0.175 1.00 0.00 C ATOM 0 H LEU A 25 -6.747 4.290 -2.453 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.071 2.008 -0.927 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.782 4.875 0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.455 3.438 1.041 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.084 3.862 -1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.184 4.893 -0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.655 5.884 -0.254 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.147 4.850 1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.342 2.425 -0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.298 2.365 0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.931 1.623 -0.578 1.00 0.00 H new ATOM 419 N SER A 26 -9.618 4.039 -0.576 1.00 0.00 N ATOM 420 CA SER A 26 -10.985 4.123 0.007 1.00 0.00 C ATOM 421 C SER A 26 -11.871 3.048 -0.625 1.00 0.00 C ATOM 422 O SER A 26 -12.750 2.501 0.010 1.00 0.00 O ATOM 423 CB SER A 26 -11.580 5.505 -0.270 1.00 0.00 C ATOM 424 OG SER A 26 -11.491 5.785 -1.661 1.00 0.00 O ATOM 0 H SER A 26 -9.387 4.769 -1.250 1.00 0.00 H new ATOM 0 HA SER A 26 -10.931 3.966 1.084 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.620 5.537 0.053 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.046 6.265 0.300 1.00 0.00 H new ATOM 0 HG SER A 26 -11.873 6.669 -1.842 1.00 0.00 H new ATOM 430 N ALA A 27 -11.643 2.735 -1.871 1.00 0.00 N ATOM 431 CA ALA A 27 -12.466 1.689 -2.538 1.00 0.00 C ATOM 432 C ALA A 27 -12.142 0.333 -1.912 1.00 0.00 C ATOM 433 O ALA A 27 -13.018 -0.428 -1.559 1.00 0.00 O ATOM 434 CB ALA A 27 -12.139 1.656 -4.032 1.00 0.00 C ATOM 0 H ALA A 27 -10.922 3.159 -2.455 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.525 1.912 -2.409 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -12.742 0.890 -4.520 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.360 2.627 -4.474 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.082 1.427 -4.168 1.00 0.00 H new ATOM 440 N LEU A 28 -10.884 0.037 -1.748 1.00 0.00 N ATOM 441 CA LEU A 28 -10.491 -1.257 -1.131 1.00 0.00 C ATOM 442 C LEU A 28 -11.054 -1.311 0.287 1.00 0.00 C ATOM 443 O LEU A 28 -11.451 -2.348 0.773 1.00 0.00 O ATOM 444 CB LEU A 28 -8.959 -1.340 -1.072 1.00 0.00 C ATOM 445 CG LEU A 28 -8.404 -1.740 -2.439 1.00 0.00 C ATOM 446 CD1 LEU A 28 -8.987 -0.839 -3.527 1.00 0.00 C ATOM 447 CD2 LEU A 28 -6.879 -1.593 -2.428 1.00 0.00 C ATOM 0 H LEU A 28 -10.107 0.640 -2.017 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.879 -2.089 -1.719 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.546 -0.378 -0.770 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.655 -2.068 -0.320 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.678 -2.775 -2.646 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.585 -1.133 -4.497 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.072 -0.939 -3.539 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.720 0.198 -3.322 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.479 -1.877 -3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.615 -0.557 -2.216 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.457 -2.240 -1.659 1.00 0.00 H new ATOM 459 N SER A 29 -11.095 -0.193 0.947 1.00 0.00 N ATOM 460 CA SER A 29 -11.628 -0.161 2.336 1.00 0.00 C ATOM 461 C SER A 29 -13.128 -0.475 2.320 1.00 0.00 C ATOM 462 O SER A 29 -13.618 -1.273 3.096 1.00 0.00 O ATOM 463 CB SER A 29 -11.407 1.235 2.918 1.00 0.00 C ATOM 464 OG SER A 29 -12.415 2.111 2.435 1.00 0.00 O ATOM 0 H SER A 29 -10.781 0.707 0.584 1.00 0.00 H new ATOM 0 HA SER A 29 -11.113 -0.904 2.945 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.435 1.196 4.007 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.421 1.607 2.637 1.00 0.00 H new ATOM 0 HG SER A 29 -12.367 2.157 1.457 1.00 0.00 H new ATOM 470 N ARG A 30 -13.857 0.160 1.447 1.00 0.00 N ATOM 471 CA ARG A 30 -15.325 -0.080 1.366 1.00 0.00 C ATOM 472 C ARG A 30 -15.602 -1.475 0.799 1.00 0.00 C ATOM 473 O ARG A 30 -16.562 -2.126 1.164 1.00 0.00 O ATOM 474 CB ARG A 30 -15.947 0.983 0.443 1.00 0.00 C ATOM 475 CG ARG A 30 -17.412 0.619 0.082 1.00 0.00 C ATOM 476 CD ARG A 30 -17.495 -0.033 -1.307 1.00 0.00 C ATOM 477 NE ARG A 30 -18.928 -0.191 -1.689 1.00 0.00 N ATOM 478 CZ ARG A 30 -19.249 -0.452 -2.925 1.00 0.00 C ATOM 479 NH1 ARG A 30 -18.314 -0.589 -3.826 1.00 0.00 N ATOM 480 NH2 ARG A 30 -20.503 -0.580 -3.261 1.00 0.00 N ATOM 0 H ARG A 30 -13.496 0.842 0.780 1.00 0.00 H new ATOM 0 HA ARG A 30 -15.761 -0.015 2.363 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -15.921 1.956 0.934 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -15.355 1.070 -0.468 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -17.816 -0.062 0.831 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -18.029 1.518 0.103 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -16.976 0.582 -2.042 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -17.000 -1.004 -1.297 1.00 0.00 H new ATOM 0 HE ARG A 30 -19.657 -0.095 -0.982 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -17.333 -0.492 -3.562 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -18.564 -0.793 -4.794 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -21.233 -0.476 -2.556 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -20.753 -0.784 -4.228 1.00 0.00 H new ATOM 494 N GLN A 31 -14.792 -1.921 -0.115 1.00 0.00 N ATOM 495 CA GLN A 31 -15.021 -3.249 -0.741 1.00 0.00 C ATOM 496 C GLN A 31 -14.803 -4.384 0.267 1.00 0.00 C ATOM 497 O GLN A 31 -15.382 -5.444 0.138 1.00 0.00 O ATOM 498 CB GLN A 31 -14.067 -3.402 -1.923 1.00 0.00 C ATOM 499 CG GLN A 31 -14.531 -2.490 -3.065 1.00 0.00 C ATOM 500 CD GLN A 31 -13.423 -2.374 -4.113 1.00 0.00 C ATOM 501 OE1 GLN A 31 -12.380 -1.806 -3.854 1.00 0.00 O ATOM 502 NE2 GLN A 31 -13.606 -2.891 -5.299 1.00 0.00 N ATOM 0 H GLN A 31 -13.974 -1.418 -0.458 1.00 0.00 H new ATOM 0 HA GLN A 31 -16.054 -3.309 -1.082 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -13.052 -3.142 -1.623 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -14.045 -4.440 -2.256 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -15.435 -2.893 -3.521 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -14.782 -1.503 -2.676 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.481 -3.368 -5.518 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.874 -2.818 -6.006 1.00 0.00 H new ATOM 511 N PHE A 32 -13.979 -4.181 1.269 1.00 0.00 N ATOM 512 CA PHE A 32 -13.732 -5.263 2.283 1.00 0.00 C ATOM 513 C PHE A 32 -14.466 -4.922 3.586 1.00 0.00 C ATOM 514 O PHE A 32 -14.890 -5.802 4.309 1.00 0.00 O ATOM 515 CB PHE A 32 -12.220 -5.400 2.536 1.00 0.00 C ATOM 516 CG PHE A 32 -11.598 -6.214 1.419 1.00 0.00 C ATOM 517 CD1 PHE A 32 -11.284 -5.604 0.189 1.00 0.00 C ATOM 518 CD2 PHE A 32 -11.351 -7.589 1.604 1.00 0.00 C ATOM 519 CE1 PHE A 32 -10.723 -6.366 -0.854 1.00 0.00 C ATOM 520 CE2 PHE A 32 -10.788 -8.350 0.561 1.00 0.00 C ATOM 521 CZ PHE A 32 -10.475 -7.739 -0.669 1.00 0.00 C ATOM 0 H PHE A 32 -13.466 -3.314 1.430 1.00 0.00 H new ATOM 0 HA PHE A 32 -14.110 -6.213 1.905 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -11.757 -4.414 2.585 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -12.043 -5.884 3.497 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.474 -4.551 0.045 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.593 -8.059 2.546 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.483 -5.896 -1.796 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.596 -9.403 0.704 1.00 0.00 H new ATOM 0 HZ PHE A 32 -10.045 -8.323 -1.469 1.00 0.00 H new ATOM 531 N GLY A 33 -14.639 -3.652 3.884 1.00 0.00 N ATOM 532 CA GLY A 33 -15.372 -3.246 5.129 1.00 0.00 C ATOM 533 C GLY A 33 -14.478 -2.396 6.035 1.00 0.00 C ATOM 534 O GLY A 33 -14.889 -1.363 6.527 1.00 0.00 O ATOM 0 H GLY A 33 -14.302 -2.876 3.314 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.267 -2.683 4.862 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.703 -4.134 5.667 1.00 0.00 H new ATOM 538 N TYR A 34 -13.269 -2.823 6.272 1.00 0.00 N ATOM 539 CA TYR A 34 -12.365 -2.040 7.167 1.00 0.00 C ATOM 540 C TYR A 34 -12.429 -0.551 6.808 1.00 0.00 C ATOM 541 O TYR A 34 -12.223 -0.166 5.679 1.00 0.00 O ATOM 542 CB TYR A 34 -10.929 -2.544 7.018 1.00 0.00 C ATOM 543 CG TYR A 34 -10.934 -4.056 7.006 1.00 0.00 C ATOM 544 CD1 TYR A 34 -11.481 -4.768 8.095 1.00 0.00 C ATOM 545 CD2 TYR A 34 -10.405 -4.757 5.906 1.00 0.00 C ATOM 546 CE1 TYR A 34 -11.495 -6.176 8.079 1.00 0.00 C ATOM 547 CE2 TYR A 34 -10.423 -6.162 5.892 1.00 0.00 C ATOM 548 CZ TYR A 34 -10.966 -6.872 6.976 1.00 0.00 C ATOM 549 OH TYR A 34 -10.984 -8.252 6.959 1.00 0.00 O ATOM 0 H TYR A 34 -12.867 -3.678 5.887 1.00 0.00 H new ATOM 0 HA TYR A 34 -12.689 -2.170 8.200 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.490 -2.162 6.096 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.314 -2.177 7.840 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.889 -4.233 8.940 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -9.985 -4.215 5.072 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -11.912 -6.722 8.913 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -10.018 -6.697 5.046 1.00 0.00 H new ATOM 0 HH TYR A 34 -10.582 -8.574 6.125 1.00 0.00 H new ATOM 559 N ALA A 35 -12.731 0.283 7.765 1.00 0.00 N ATOM 560 CA ALA A 35 -12.820 1.747 7.488 1.00 0.00 C ATOM 561 C ALA A 35 -11.565 2.196 6.703 1.00 0.00 C ATOM 562 O ALA A 35 -10.544 1.542 6.775 1.00 0.00 O ATOM 563 CB ALA A 35 -12.909 2.500 8.831 1.00 0.00 C ATOM 0 H ALA A 35 -12.921 0.014 8.730 1.00 0.00 H new ATOM 0 HA ALA A 35 -13.705 1.967 6.891 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -12.975 3.572 8.644 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -13.795 2.172 9.374 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.020 2.289 9.426 1.00 0.00 H new ATOM 569 N PRO A 36 -11.662 3.304 5.985 1.00 0.00 N ATOM 570 CA PRO A 36 -10.515 3.823 5.209 1.00 0.00 C ATOM 571 C PRO A 36 -9.297 4.026 6.124 1.00 0.00 C ATOM 572 O PRO A 36 -8.166 3.908 5.699 1.00 0.00 O ATOM 573 CB PRO A 36 -11.006 5.168 4.616 1.00 0.00 C ATOM 574 CG PRO A 36 -12.476 5.376 5.086 1.00 0.00 C ATOM 575 CD PRO A 36 -12.895 4.120 5.882 1.00 0.00 C ATOM 0 HA PRO A 36 -10.197 3.134 4.426 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -10.375 5.990 4.955 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.950 5.151 3.528 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -12.557 6.268 5.708 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.134 5.524 4.230 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.276 4.386 6.868 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -13.688 3.575 5.370 1.00 0.00 H new ATOM 583 N THR A 37 -9.520 4.336 7.371 1.00 0.00 N ATOM 584 CA THR A 37 -8.373 4.547 8.296 1.00 0.00 C ATOM 585 C THR A 37 -7.525 3.275 8.354 1.00 0.00 C ATOM 586 O THR A 37 -6.312 3.322 8.309 1.00 0.00 O ATOM 587 CB THR A 37 -8.900 4.875 9.696 1.00 0.00 C ATOM 588 OG1 THR A 37 -9.726 3.811 10.149 1.00 0.00 O ATOM 589 CG2 THR A 37 -9.712 6.169 9.649 1.00 0.00 C ATOM 0 H THR A 37 -10.444 4.452 7.788 1.00 0.00 H new ATOM 0 HA THR A 37 -7.762 5.375 7.935 1.00 0.00 H new ATOM 0 HB THR A 37 -8.061 5.002 10.380 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.063 4.018 11.046 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.086 6.400 10.646 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.078 6.984 9.301 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.552 6.047 8.966 1.00 0.00 H new ATOM 597 N THR A 38 -8.155 2.138 8.450 1.00 0.00 N ATOM 598 CA THR A 38 -7.392 0.860 8.513 1.00 0.00 C ATOM 599 C THR A 38 -6.466 0.742 7.294 1.00 0.00 C ATOM 600 O THR A 38 -5.261 0.647 7.426 1.00 0.00 O ATOM 601 CB THR A 38 -8.380 -0.317 8.525 1.00 0.00 C ATOM 602 OG1 THR A 38 -9.063 -0.340 9.770 1.00 0.00 O ATOM 603 CG2 THR A 38 -7.632 -1.643 8.330 1.00 0.00 C ATOM 0 H THR A 38 -9.169 2.038 8.488 1.00 0.00 H new ATOM 0 HA THR A 38 -6.788 0.843 9.420 1.00 0.00 H new ATOM 0 HB THR A 38 -9.093 -0.192 7.710 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.696 -1.088 9.782 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.345 -2.468 8.341 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.108 -1.628 7.374 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.911 -1.776 9.137 1.00 0.00 H new ATOM 611 N LEU A 39 -7.022 0.725 6.115 1.00 0.00 N ATOM 612 CA LEU A 39 -6.178 0.591 4.892 1.00 0.00 C ATOM 613 C LEU A 39 -5.032 1.618 4.937 1.00 0.00 C ATOM 614 O LEU A 39 -3.871 1.276 4.848 1.00 0.00 O ATOM 615 CB LEU A 39 -7.064 0.826 3.640 1.00 0.00 C ATOM 616 CG LEU A 39 -6.826 -0.241 2.544 1.00 0.00 C ATOM 617 CD1 LEU A 39 -5.318 -0.560 2.378 1.00 0.00 C ATOM 618 CD2 LEU A 39 -7.595 -1.523 2.902 1.00 0.00 C ATOM 0 H LEU A 39 -8.025 0.798 5.944 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.746 -0.409 4.846 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.114 0.815 3.933 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.858 1.815 3.232 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.188 0.157 1.596 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.189 -1.313 1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.783 0.347 2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.920 -0.939 3.320 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.428 -2.275 2.131 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.243 -1.903 3.861 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.660 -1.302 2.968 1.00 0.00 H new ATOM 630 N ALA A 40 -5.361 2.876 5.044 1.00 0.00 N ATOM 631 CA ALA A 40 -4.305 3.931 5.073 1.00 0.00 C ATOM 632 C ALA A 40 -3.295 3.646 6.188 1.00 0.00 C ATOM 633 O ALA A 40 -2.109 3.532 5.950 1.00 0.00 O ATOM 634 CB ALA A 40 -4.959 5.293 5.316 1.00 0.00 C ATOM 0 H ALA A 40 -6.318 3.221 5.113 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.781 3.934 4.117 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.191 6.067 5.338 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.666 5.506 4.514 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.487 5.278 6.270 1.00 0.00 H new ATOM 640 N ASN A 41 -3.755 3.546 7.404 1.00 0.00 N ATOM 641 CA ASN A 41 -2.826 3.291 8.543 1.00 0.00 C ATOM 642 C ASN A 41 -2.015 2.013 8.297 1.00 0.00 C ATOM 643 O ASN A 41 -1.073 1.726 9.009 1.00 0.00 O ATOM 644 CB ASN A 41 -3.637 3.139 9.833 1.00 0.00 C ATOM 645 CG ASN A 41 -2.700 3.163 11.045 1.00 0.00 C ATOM 646 OD1 ASN A 41 -3.113 2.875 12.150 1.00 0.00 O ATOM 647 ND2 ASN A 41 -1.445 3.493 10.887 1.00 0.00 N ATOM 0 H ASN A 41 -4.739 3.630 7.660 1.00 0.00 H new ATOM 0 HA ASN A 41 -2.138 4.132 8.633 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.367 3.945 9.911 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.196 2.203 9.813 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -0.817 3.508 11.690 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -1.094 3.736 9.960 1.00 0.00 H new ATOM 654 N ALA A 42 -2.368 1.239 7.304 1.00 0.00 N ATOM 655 CA ALA A 42 -1.599 -0.011 7.039 1.00 0.00 C ATOM 656 C ALA A 42 -0.235 0.342 6.443 1.00 0.00 C ATOM 657 O ALA A 42 0.458 -0.505 5.912 1.00 0.00 O ATOM 658 CB ALA A 42 -2.368 -0.897 6.054 1.00 0.00 C ATOM 0 H ALA A 42 -3.148 1.416 6.671 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.461 -0.549 7.977 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.801 -1.808 5.865 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.338 -1.155 6.478 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.513 -0.359 5.117 1.00 0.00 H new ATOM 664 N LEU A 43 0.152 1.586 6.514 1.00 0.00 N ATOM 665 CA LEU A 43 1.469 1.995 5.944 1.00 0.00 C ATOM 666 C LEU A 43 2.579 1.764 6.976 1.00 0.00 C ATOM 667 O LEU A 43 3.687 1.405 6.628 1.00 0.00 O ATOM 668 CB LEU A 43 1.424 3.479 5.569 1.00 0.00 C ATOM 669 CG LEU A 43 0.555 3.683 4.317 1.00 0.00 C ATOM 670 CD1 LEU A 43 0.220 5.171 4.170 1.00 0.00 C ATOM 671 CD2 LEU A 43 1.296 3.193 3.054 1.00 0.00 C ATOM 0 H LEU A 43 -0.387 2.339 6.942 1.00 0.00 H new ATOM 0 HA LEU A 43 1.675 1.398 5.056 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.021 4.059 6.399 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.434 3.846 5.384 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.362 3.105 4.428 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.396 5.319 3.283 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.325 5.510 5.051 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.142 5.744 4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.664 3.346 2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.223 3.754 2.935 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.525 2.132 3.155 1.00 0.00 H new ATOM 683 N GLU A 44 2.296 1.978 8.242 1.00 0.00 N ATOM 684 CA GLU A 44 3.342 1.782 9.300 1.00 0.00 C ATOM 685 C GLU A 44 2.779 0.962 10.465 1.00 0.00 C ATOM 686 O GLU A 44 3.481 0.650 11.407 1.00 0.00 O ATOM 687 CB GLU A 44 3.816 3.145 9.815 1.00 0.00 C ATOM 688 CG GLU A 44 2.618 3.985 10.271 1.00 0.00 C ATOM 689 CD GLU A 44 2.149 3.515 11.652 1.00 0.00 C ATOM 690 OE1 GLU A 44 2.757 3.918 12.630 1.00 0.00 O ATOM 691 OE2 GLU A 44 1.192 2.763 11.706 1.00 0.00 O ATOM 0 H GLU A 44 1.385 2.280 8.588 1.00 0.00 H new ATOM 0 HA GLU A 44 4.183 1.242 8.864 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.509 3.007 10.645 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.359 3.670 9.029 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.895 5.039 10.310 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.805 3.896 9.551 1.00 0.00 H new ATOM 698 N ARG A 45 1.524 0.608 10.422 1.00 0.00 N ATOM 699 CA ARG A 45 0.946 -0.194 11.539 1.00 0.00 C ATOM 700 C ARG A 45 1.400 -1.650 11.406 1.00 0.00 C ATOM 701 O ARG A 45 1.490 -2.181 10.317 1.00 0.00 O ATOM 702 CB ARG A 45 -0.586 -0.127 11.483 1.00 0.00 C ATOM 703 CG ARG A 45 -1.185 -0.608 12.821 1.00 0.00 C ATOM 704 CD ARG A 45 -1.249 0.548 13.828 1.00 0.00 C ATOM 705 NE ARG A 45 -2.026 0.110 15.023 1.00 0.00 N ATOM 706 CZ ARG A 45 -2.003 0.821 16.118 1.00 0.00 C ATOM 707 NH1 ARG A 45 -1.303 1.921 16.173 1.00 0.00 N ATOM 708 NH2 ARG A 45 -2.685 0.431 17.160 1.00 0.00 N ATOM 0 H ARG A 45 0.877 0.837 9.668 1.00 0.00 H new ATOM 0 HA ARG A 45 1.289 0.210 12.491 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.906 0.895 11.278 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.956 -0.747 10.666 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.185 -1.009 12.655 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.579 -1.418 13.227 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.243 0.847 14.122 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.720 1.419 13.372 1.00 0.00 H new ATOM 0 HE ARG A 45 -2.577 -0.747 14.985 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.771 2.228 15.359 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.288 2.473 17.030 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.234 -0.427 17.118 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.669 0.985 18.017 1.00 0.00 H new ATOM 722 N HIS A 46 1.676 -2.305 12.503 1.00 0.00 N ATOM 723 CA HIS A 46 2.115 -3.730 12.427 1.00 0.00 C ATOM 724 C HIS A 46 0.986 -4.570 11.830 1.00 0.00 C ATOM 725 O HIS A 46 0.208 -5.177 12.541 1.00 0.00 O ATOM 726 CB HIS A 46 2.443 -4.240 13.833 1.00 0.00 C ATOM 727 CG HIS A 46 3.357 -3.266 14.525 1.00 0.00 C ATOM 728 ND1 HIS A 46 3.760 -2.081 13.931 1.00 0.00 N ATOM 729 CD2 HIS A 46 3.959 -3.291 15.760 1.00 0.00 C ATOM 730 CE1 HIS A 46 4.567 -1.447 14.801 1.00 0.00 C ATOM 731 NE2 HIS A 46 4.723 -2.141 15.931 1.00 0.00 N ATOM 0 H HIS A 46 1.617 -1.917 13.445 1.00 0.00 H new ATOM 0 HA HIS A 46 3.003 -3.808 11.799 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.526 -4.364 14.408 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.917 -5.220 13.774 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.855 -4.083 16.487 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.033 -0.492 14.609 1.00 0.00 H new ATOM 0 HE2 HIS A 46 5.282 -1.883 16.744 1.00 0.00 H new ATOM 739 N TRP A 47 0.882 -4.608 10.531 1.00 0.00 N ATOM 740 CA TRP A 47 -0.202 -5.404 9.891 1.00 0.00 C ATOM 741 C TRP A 47 0.130 -5.588 8.401 1.00 0.00 C ATOM 742 O TRP A 47 -0.502 -4.990 7.553 1.00 0.00 O ATOM 743 CB TRP A 47 -1.523 -4.641 10.047 1.00 0.00 C ATOM 744 CG TRP A 47 -2.650 -5.442 9.478 1.00 0.00 C ATOM 745 CD1 TRP A 47 -2.932 -6.730 9.787 1.00 0.00 C ATOM 746 CD2 TRP A 47 -3.655 -5.022 8.513 1.00 0.00 C ATOM 747 NE1 TRP A 47 -4.040 -7.130 9.063 1.00 0.00 N ATOM 748 CE2 TRP A 47 -4.523 -6.115 8.263 1.00 0.00 C ATOM 749 CE3 TRP A 47 -3.892 -3.807 7.832 1.00 0.00 C ATOM 750 CZ2 TRP A 47 -5.594 -6.009 7.364 1.00 0.00 C ATOM 751 CZ3 TRP A 47 -4.971 -3.695 6.929 1.00 0.00 C ATOM 752 CH2 TRP A 47 -5.817 -4.795 6.695 1.00 0.00 C ATOM 0 H TRP A 47 1.502 -4.121 9.884 1.00 0.00 H new ATOM 0 HA TRP A 47 -0.290 -6.384 10.361 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.710 -4.434 11.101 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.458 -3.679 9.539 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -2.382 -7.344 10.485 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -4.450 -8.062 9.114 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.244 -2.960 8.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -6.242 -6.855 7.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.148 -2.761 6.416 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -6.639 -4.705 6.000 1.00 0.00 H new ATOM 763 N PRO A 48 1.143 -6.390 8.123 1.00 0.00 N ATOM 764 CA PRO A 48 1.587 -6.638 6.733 1.00 0.00 C ATOM 765 C PRO A 48 0.453 -7.240 5.883 1.00 0.00 C ATOM 766 O PRO A 48 0.516 -7.243 4.669 1.00 0.00 O ATOM 767 CB PRO A 48 2.779 -7.619 6.866 1.00 0.00 C ATOM 768 CG PRO A 48 3.050 -7.827 8.386 1.00 0.00 C ATOM 769 CD PRO A 48 1.928 -7.101 9.162 1.00 0.00 C ATOM 0 HA PRO A 48 1.874 -5.717 6.225 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.548 -8.569 6.385 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.663 -7.217 6.371 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.061 -8.889 8.632 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.026 -7.427 8.660 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.307 -7.808 9.712 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.340 -6.404 9.892 1.00 0.00 H new ATOM 777 N LYS A 49 -0.578 -7.745 6.499 1.00 0.00 N ATOM 778 CA LYS A 49 -1.694 -8.338 5.706 1.00 0.00 C ATOM 779 C LYS A 49 -2.452 -7.214 4.986 1.00 0.00 C ATOM 780 O LYS A 49 -3.199 -7.451 4.059 1.00 0.00 O ATOM 781 CB LYS A 49 -2.637 -9.095 6.651 1.00 0.00 C ATOM 782 CG LYS A 49 -3.651 -9.934 5.855 1.00 0.00 C ATOM 783 CD LYS A 49 -2.949 -11.101 5.133 1.00 0.00 C ATOM 784 CE LYS A 49 -3.938 -12.257 4.924 1.00 0.00 C ATOM 785 NZ LYS A 49 -5.304 -11.706 4.688 1.00 0.00 N ATOM 0 H LYS A 49 -0.698 -7.774 7.512 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.300 -9.034 4.965 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.057 -9.744 7.307 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.166 -8.387 7.289 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.415 -10.324 6.528 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.160 -9.303 5.126 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.561 -10.765 4.172 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.096 -11.442 5.719 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.628 -12.866 4.075 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.943 -12.908 5.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.883 -12.413 4.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.747 -11.474 5.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.236 -10.846 4.108 1.00 0.00 H new ATOM 799 N GLY A 50 -2.244 -5.986 5.392 1.00 0.00 N ATOM 800 CA GLY A 50 -2.936 -4.845 4.717 1.00 0.00 C ATOM 801 C GLY A 50 -2.228 -4.551 3.396 1.00 0.00 C ATOM 802 O GLY A 50 -2.836 -4.126 2.431 1.00 0.00 O ATOM 0 H GLY A 50 -1.626 -5.725 6.160 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.982 -5.091 4.537 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.922 -3.963 5.357 1.00 0.00 H new ATOM 806 N GLU A 51 -0.943 -4.779 3.338 1.00 0.00 N ATOM 807 CA GLU A 51 -0.201 -4.530 2.075 1.00 0.00 C ATOM 808 C GLU A 51 -0.613 -5.598 1.065 1.00 0.00 C ATOM 809 O GLU A 51 -0.718 -5.348 -0.121 1.00 0.00 O ATOM 810 CB GLU A 51 1.305 -4.609 2.339 1.00 0.00 C ATOM 811 CG GLU A 51 1.635 -3.863 3.633 1.00 0.00 C ATOM 812 CD GLU A 51 3.151 -3.724 3.774 1.00 0.00 C ATOM 813 OE1 GLU A 51 3.824 -3.758 2.758 1.00 0.00 O ATOM 814 OE2 GLU A 51 3.612 -3.583 4.895 1.00 0.00 O ATOM 0 H GLU A 51 -0.378 -5.127 4.113 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.432 -3.539 1.686 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.617 -5.650 2.417 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.855 -4.173 1.505 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.169 -2.878 3.625 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.228 -4.402 4.489 1.00 0.00 H new ATOM 821 N GLN A 52 -0.866 -6.792 1.534 1.00 0.00 N ATOM 822 CA GLN A 52 -1.292 -7.880 0.614 1.00 0.00 C ATOM 823 C GLN A 52 -2.612 -7.472 -0.046 1.00 0.00 C ATOM 824 O GLN A 52 -2.833 -7.711 -1.216 1.00 0.00 O ATOM 825 CB GLN A 52 -1.479 -9.177 1.406 1.00 0.00 C ATOM 826 CG GLN A 52 -0.114 -9.659 1.905 1.00 0.00 C ATOM 827 CD GLN A 52 -0.249 -11.032 2.567 1.00 0.00 C ATOM 828 OE1 GLN A 52 0.646 -11.474 3.259 1.00 0.00 O ATOM 829 NE2 GLN A 52 -1.333 -11.734 2.379 1.00 0.00 N ATOM 0 H GLN A 52 -0.795 -7.058 2.516 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.534 -8.044 -0.152 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.150 -9.010 2.249 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.940 -9.939 0.777 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.587 -9.716 1.072 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.295 -8.942 2.617 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.086 -11.364 1.798 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.428 -12.652 2.813 1.00 0.00 H new ATOM 838 N ILE A 53 -3.486 -6.838 0.694 1.00 0.00 N ATOM 839 CA ILE A 53 -4.784 -6.400 0.107 1.00 0.00 C ATOM 840 C ILE A 53 -4.506 -5.514 -1.116 1.00 0.00 C ATOM 841 O ILE A 53 -5.045 -5.723 -2.184 1.00 0.00 O ATOM 842 CB ILE A 53 -5.572 -5.607 1.162 1.00 0.00 C ATOM 843 CG1 ILE A 53 -6.042 -6.573 2.262 1.00 0.00 C ATOM 844 CG2 ILE A 53 -6.788 -4.935 0.515 1.00 0.00 C ATOM 845 CD1 ILE A 53 -6.674 -5.800 3.440 1.00 0.00 C ATOM 0 H ILE A 53 -3.355 -6.606 1.679 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.369 -7.267 -0.201 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.932 -4.836 1.591 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.768 -7.274 1.850 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.198 -7.162 2.620 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -7.340 -4.376 1.271 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.454 -4.254 -0.268 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.437 -5.696 0.082 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.999 -6.505 4.205 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.938 -5.118 3.864 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.533 -5.231 3.083 1.00 0.00 H new ATOM 857 N ILE A 54 -3.670 -4.522 -0.961 1.00 0.00 N ATOM 858 CA ILE A 54 -3.360 -3.617 -2.105 1.00 0.00 C ATOM 859 C ILE A 54 -2.635 -4.387 -3.212 1.00 0.00 C ATOM 860 O ILE A 54 -3.044 -4.374 -4.357 1.00 0.00 O ATOM 861 CB ILE A 54 -2.457 -2.482 -1.605 1.00 0.00 C ATOM 862 CG1 ILE A 54 -3.244 -1.612 -0.611 1.00 0.00 C ATOM 863 CG2 ILE A 54 -2.004 -1.633 -2.799 1.00 0.00 C ATOM 864 CD1 ILE A 54 -2.277 -0.804 0.272 1.00 0.00 C ATOM 0 H ILE A 54 -3.188 -4.299 -0.090 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.289 -3.214 -2.508 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.580 -2.895 -1.106 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.904 -0.935 -1.153 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.877 -2.243 0.013 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.362 -0.825 -2.448 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.451 -2.258 -3.501 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.877 -1.212 -3.298 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.847 -0.192 0.971 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.635 -1.487 0.828 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.663 -0.159 -0.357 1.00 0.00 H new ATOM 876 N ALA A 55 -1.552 -5.038 -2.889 1.00 0.00 N ATOM 877 CA ALA A 55 -0.796 -5.785 -3.933 1.00 0.00 C ATOM 878 C ALA A 55 -1.714 -6.810 -4.598 1.00 0.00 C ATOM 879 O ALA A 55 -1.597 -7.092 -5.773 1.00 0.00 O ATOM 880 CB ALA A 55 0.387 -6.507 -3.283 1.00 0.00 C ATOM 0 H ALA A 55 -1.158 -5.085 -1.949 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.430 -5.086 -4.685 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.942 -7.055 -4.045 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.044 -5.777 -2.810 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.019 -7.205 -2.531 1.00 0.00 H new ATOM 886 N ASN A 56 -2.631 -7.362 -3.858 1.00 0.00 N ATOM 887 CA ASN A 56 -3.560 -8.363 -4.453 1.00 0.00 C ATOM 888 C ASN A 56 -4.305 -7.717 -5.622 1.00 0.00 C ATOM 889 O ASN A 56 -4.564 -8.345 -6.630 1.00 0.00 O ATOM 890 CB ASN A 56 -4.562 -8.831 -3.388 1.00 0.00 C ATOM 891 CG ASN A 56 -3.904 -9.876 -2.481 1.00 0.00 C ATOM 892 OD1 ASN A 56 -4.081 -9.853 -1.279 1.00 0.00 O ATOM 893 ND2 ASN A 56 -3.151 -10.800 -3.012 1.00 0.00 N ATOM 0 H ASN A 56 -2.779 -7.165 -2.868 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.997 -9.225 -4.812 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.899 -7.981 -2.794 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.444 -9.255 -3.867 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.711 -11.503 -2.418 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.002 -10.819 -4.021 1.00 0.00 H new ATOM 900 N ALA A 57 -4.661 -6.469 -5.487 1.00 0.00 N ATOM 901 CA ALA A 57 -5.398 -5.781 -6.583 1.00 0.00 C ATOM 902 C ALA A 57 -4.522 -5.702 -7.839 1.00 0.00 C ATOM 903 O ALA A 57 -4.997 -5.862 -8.945 1.00 0.00 O ATOM 904 CB ALA A 57 -5.787 -4.371 -6.128 1.00 0.00 C ATOM 0 H ALA A 57 -4.473 -5.896 -4.664 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.299 -6.347 -6.820 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.327 -3.866 -6.929 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.424 -4.436 -5.246 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.887 -3.806 -5.884 1.00 0.00 H new ATOM 910 N LEU A 58 -3.248 -5.465 -7.679 1.00 0.00 N ATOM 911 CA LEU A 58 -2.349 -5.380 -8.866 1.00 0.00 C ATOM 912 C LEU A 58 -1.845 -6.781 -9.200 1.00 0.00 C ATOM 913 O LEU A 58 -0.980 -6.959 -10.034 1.00 0.00 O ATOM 914 CB LEU A 58 -1.151 -4.489 -8.535 1.00 0.00 C ATOM 915 CG LEU A 58 -1.574 -3.014 -8.471 1.00 0.00 C ATOM 916 CD1 LEU A 58 -0.448 -2.208 -7.811 1.00 0.00 C ATOM 917 CD2 LEU A 58 -1.841 -2.464 -9.887 1.00 0.00 C ATOM 0 H LEU A 58 -2.791 -5.327 -6.778 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.894 -4.961 -9.712 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.720 -4.791 -7.581 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.376 -4.618 -9.290 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.492 -2.928 -7.890 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.735 -1.158 -7.759 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.272 -2.586 -6.804 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.464 -2.306 -8.400 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.139 -1.418 -9.821 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.934 -2.545 -10.486 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.639 -3.040 -10.357 1.00 0.00 H new ATOM 929 N GLU A 59 -2.379 -7.777 -8.552 1.00 0.00 N ATOM 930 CA GLU A 59 -1.934 -9.170 -8.825 1.00 0.00 C ATOM 931 C GLU A 59 -0.414 -9.260 -8.681 1.00 0.00 C ATOM 932 O GLU A 59 0.210 -10.175 -9.183 1.00 0.00 O ATOM 933 CB GLU A 59 -2.340 -9.569 -10.246 1.00 0.00 C ATOM 934 CG GLU A 59 -3.848 -9.367 -10.420 1.00 0.00 C ATOM 935 CD GLU A 59 -4.244 -9.669 -11.867 1.00 0.00 C ATOM 936 OE1 GLU A 59 -4.177 -10.825 -12.252 1.00 0.00 O ATOM 937 OE2 GLU A 59 -4.609 -8.737 -12.565 1.00 0.00 O ATOM 0 H GLU A 59 -3.107 -7.686 -7.843 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.405 -9.846 -8.112 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.795 -8.968 -10.974 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.078 -10.610 -10.432 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.393 -10.021 -9.739 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.120 -8.343 -10.164 1.00 0.00 H new ATOM 944 N THR A 60 0.190 -8.318 -7.988 1.00 0.00 N ATOM 945 CA THR A 60 1.680 -8.344 -7.797 1.00 0.00 C ATOM 946 C THR A 60 1.998 -8.650 -6.328 1.00 0.00 C ATOM 947 O THR A 60 1.125 -9.007 -5.562 1.00 0.00 O ATOM 948 CB THR A 60 2.283 -6.987 -8.211 1.00 0.00 C ATOM 949 OG1 THR A 60 3.673 -7.151 -8.455 1.00 0.00 O ATOM 950 CG2 THR A 60 2.081 -5.938 -7.112 1.00 0.00 C ATOM 0 H THR A 60 -0.286 -7.531 -7.546 1.00 0.00 H new ATOM 0 HA THR A 60 2.118 -9.121 -8.423 1.00 0.00 H new ATOM 0 HB THR A 60 1.778 -6.642 -9.113 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.062 -6.292 -8.720 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.516 -4.990 -7.429 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.015 -5.805 -6.928 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.569 -6.272 -6.196 1.00 0.00 H new ATOM 958 N LYS A 61 3.243 -8.525 -5.934 1.00 0.00 N ATOM 959 CA LYS A 61 3.630 -8.819 -4.514 1.00 0.00 C ATOM 960 C LYS A 61 3.884 -7.488 -3.775 1.00 0.00 C ATOM 961 O LYS A 61 4.340 -6.544 -4.387 1.00 0.00 O ATOM 962 CB LYS A 61 4.930 -9.638 -4.510 1.00 0.00 C ATOM 963 CG LYS A 61 4.778 -10.893 -5.381 1.00 0.00 C ATOM 964 CD LYS A 61 6.169 -11.417 -5.784 1.00 0.00 C ATOM 965 CE LYS A 61 6.858 -10.455 -6.775 1.00 0.00 C ATOM 966 NZ LYS A 61 7.871 -9.640 -6.045 1.00 0.00 N ATOM 0 H LYS A 61 4.012 -8.231 -6.536 1.00 0.00 H new ATOM 0 HA LYS A 61 2.832 -9.375 -4.022 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.753 -9.027 -4.882 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.183 -9.925 -3.489 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.233 -11.663 -4.835 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.194 -10.661 -6.272 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.789 -11.534 -4.895 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.072 -12.404 -6.237 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.336 -11.020 -7.575 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.119 -9.804 -7.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.800 -8.647 -6.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.697 -9.705 -5.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.824 -9.999 -6.258 1.00 0.00 H new ATOM 980 N PRO A 62 3.620 -7.433 -2.477 1.00 0.00 N ATOM 981 CA PRO A 62 3.867 -6.195 -1.706 1.00 0.00 C ATOM 982 C PRO A 62 5.363 -5.859 -1.767 1.00 0.00 C ATOM 983 O PRO A 62 5.775 -4.743 -1.519 1.00 0.00 O ATOM 984 CB PRO A 62 3.424 -6.529 -0.259 1.00 0.00 C ATOM 985 CG PRO A 62 3.056 -8.039 -0.225 1.00 0.00 C ATOM 986 CD PRO A 62 3.065 -8.554 -1.683 1.00 0.00 C ATOM 0 HA PRO A 62 3.326 -5.331 -2.092 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.225 -6.313 0.448 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.569 -5.918 0.032 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.771 -8.594 0.382 1.00 0.00 H new ATOM 0 HG3 PRO A 62 2.075 -8.184 0.227 1.00 0.00 H new ATOM 0 HD2 PRO A 62 3.677 -9.450 -1.782 1.00 0.00 H new ATOM 0 HD3 PRO A 62 2.061 -8.816 -2.016 1.00 0.00 H new ATOM 994 N GLU A 63 6.174 -6.831 -2.081 1.00 0.00 N ATOM 995 CA GLU A 63 7.644 -6.598 -2.161 1.00 0.00 C ATOM 996 C GLU A 63 7.951 -5.614 -3.290 1.00 0.00 C ATOM 997 O GLU A 63 9.038 -5.080 -3.384 1.00 0.00 O ATOM 998 CB GLU A 63 8.348 -7.927 -2.439 1.00 0.00 C ATOM 999 CG GLU A 63 8.100 -8.884 -1.274 1.00 0.00 C ATOM 1000 CD GLU A 63 8.515 -10.302 -1.678 1.00 0.00 C ATOM 1001 OE1 GLU A 63 9.276 -10.428 -2.622 1.00 0.00 O ATOM 1002 OE2 GLU A 63 8.068 -11.234 -1.031 1.00 0.00 O ATOM 0 H GLU A 63 5.879 -7.785 -2.287 1.00 0.00 H new ATOM 0 HA GLU A 63 7.998 -6.183 -1.218 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.976 -8.361 -3.367 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.418 -7.764 -2.570 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.666 -8.563 -0.400 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.047 -8.868 -0.995 1.00 0.00 H new ATOM 1009 N VAL A 64 7.006 -5.388 -4.162 1.00 0.00 N ATOM 1010 CA VAL A 64 7.239 -4.461 -5.309 1.00 0.00 C ATOM 1011 C VAL A 64 6.829 -3.037 -4.927 1.00 0.00 C ATOM 1012 O VAL A 64 7.387 -2.074 -5.413 1.00 0.00 O ATOM 1013 CB VAL A 64 6.399 -4.927 -6.501 1.00 0.00 C ATOM 1014 CG1 VAL A 64 6.875 -4.222 -7.772 1.00 0.00 C ATOM 1015 CG2 VAL A 64 6.552 -6.440 -6.672 1.00 0.00 C ATOM 0 H VAL A 64 6.077 -5.808 -4.130 1.00 0.00 H new ATOM 0 HA VAL A 64 8.297 -4.467 -5.569 1.00 0.00 H new ATOM 0 HB VAL A 64 5.352 -4.683 -6.322 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.276 -4.555 -8.619 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.767 -3.144 -7.652 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.923 -4.464 -7.951 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.954 -6.773 -7.521 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.600 -6.682 -6.849 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.211 -6.945 -5.768 1.00 0.00 H new ATOM 1025 N ILE A 65 5.861 -2.887 -4.061 1.00 0.00 N ATOM 1026 CA ILE A 65 5.429 -1.514 -3.661 1.00 0.00 C ATOM 1027 C ILE A 65 6.243 -1.045 -2.454 1.00 0.00 C ATOM 1028 O ILE A 65 6.367 0.137 -2.210 1.00 0.00 O ATOM 1029 CB ILE A 65 3.937 -1.525 -3.312 1.00 0.00 C ATOM 1030 CG1 ILE A 65 3.120 -1.949 -4.554 1.00 0.00 C ATOM 1031 CG2 ILE A 65 3.517 -0.118 -2.864 1.00 0.00 C ATOM 1032 CD1 ILE A 65 1.794 -2.590 -4.118 1.00 0.00 C ATOM 0 H ILE A 65 5.353 -3.651 -3.615 1.00 0.00 H new ATOM 0 HA ILE A 65 5.598 -0.828 -4.491 1.00 0.00 H new ATOM 0 HB ILE A 65 3.750 -2.234 -2.505 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.924 -1.081 -5.184 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.695 -2.655 -5.154 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.456 -0.117 -2.614 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.097 0.173 -1.988 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.700 0.591 -3.672 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.225 -2.885 -5.000 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.998 -3.469 -3.507 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.216 -1.871 -3.538 1.00 0.00 H new ATOM 1044 N TRP A 66 6.819 -1.957 -1.703 1.00 0.00 N ATOM 1045 CA TRP A 66 7.644 -1.556 -0.513 1.00 0.00 C ATOM 1046 C TRP A 66 8.976 -2.328 -0.501 1.00 0.00 C ATOM 1047 O TRP A 66 9.159 -3.209 0.314 1.00 0.00 O ATOM 1048 CB TRP A 66 6.858 -1.869 0.768 1.00 0.00 C ATOM 1049 CG TRP A 66 5.754 -0.873 0.911 1.00 0.00 C ATOM 1050 CD1 TRP A 66 5.903 0.390 1.376 1.00 0.00 C ATOM 1051 CD2 TRP A 66 4.345 -1.026 0.581 1.00 0.00 C ATOM 1052 NE1 TRP A 66 4.675 1.025 1.347 1.00 0.00 N ATOM 1053 CE2 TRP A 66 3.681 0.198 0.865 1.00 0.00 C ATOM 1054 CE3 TRP A 66 3.582 -2.100 0.064 1.00 0.00 C ATOM 1055 CZ2 TRP A 66 2.307 0.354 0.642 1.00 0.00 C ATOM 1056 CZ3 TRP A 66 2.197 -1.946 -0.162 1.00 0.00 C ATOM 1057 CH2 TRP A 66 1.562 -0.720 0.126 1.00 0.00 C ATOM 0 H TRP A 66 6.754 -2.962 -1.862 1.00 0.00 H new ATOM 0 HA TRP A 66 7.859 -0.489 -0.568 1.00 0.00 H new ATOM 0 HB2 TRP A 66 6.451 -2.879 0.724 1.00 0.00 H new ATOM 0 HB3 TRP A 66 7.518 -1.828 1.635 1.00 0.00 H new ATOM 0 HD1 TRP A 66 6.830 0.830 1.714 1.00 0.00 H new ATOM 0 HE1 TRP A 66 4.522 1.988 1.646 1.00 0.00 H new ATOM 0 HE3 TRP A 66 4.062 -3.042 -0.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 1.823 1.294 0.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 1.621 -2.770 -0.557 1.00 0.00 H new ATOM 0 HH2 TRP A 66 0.503 -0.607 -0.050 1.00 0.00 H new ATOM 1068 N PRO A 67 9.874 -1.976 -1.401 1.00 0.00 N ATOM 1069 CA PRO A 67 11.194 -2.631 -1.489 1.00 0.00 C ATOM 1070 C PRO A 67 12.097 -2.128 -0.352 1.00 0.00 C ATOM 1071 O PRO A 67 13.171 -2.648 -0.136 1.00 0.00 O ATOM 1072 CB PRO A 67 11.750 -2.189 -2.861 1.00 0.00 C ATOM 1073 CG PRO A 67 10.887 -0.985 -3.334 1.00 0.00 C ATOM 1074 CD PRO A 67 9.655 -0.910 -2.403 1.00 0.00 C ATOM 0 HA PRO A 67 11.139 -3.716 -1.398 1.00 0.00 H new ATOM 0 HB2 PRO A 67 12.799 -1.903 -2.778 1.00 0.00 H new ATOM 0 HB3 PRO A 67 11.698 -3.007 -3.580 1.00 0.00 H new ATOM 0 HG2 PRO A 67 11.461 -0.059 -3.288 1.00 0.00 H new ATOM 0 HG3 PRO A 67 10.578 -1.117 -4.371 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.576 0.068 -1.929 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.730 -1.071 -2.957 1.00 0.00 H new ATOM 1082 N SER A 68 11.661 -1.097 0.336 1.00 0.00 N ATOM 1083 CA SER A 68 12.462 -0.485 1.453 1.00 0.00 C ATOM 1084 C SER A 68 13.362 -1.513 2.147 1.00 0.00 C ATOM 1085 O SER A 68 14.420 -1.853 1.654 1.00 0.00 O ATOM 1086 CB SER A 68 11.502 0.113 2.482 1.00 0.00 C ATOM 1087 OG SER A 68 12.189 0.292 3.714 1.00 0.00 O ATOM 0 H SER A 68 10.763 -0.643 0.168 1.00 0.00 H new ATOM 0 HA SER A 68 13.104 0.284 1.023 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.116 1.068 2.125 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.644 -0.545 2.622 1.00 0.00 H new ATOM 0 HG SER A 68 11.578 0.677 4.376 1.00 0.00 H new ATOM 1093 N ARG A 69 12.967 -1.990 3.301 1.00 0.00 N ATOM 1094 CA ARG A 69 13.815 -2.977 4.048 1.00 0.00 C ATOM 1095 C ARG A 69 13.196 -4.372 3.950 1.00 0.00 C ATOM 1096 O ARG A 69 12.878 -4.988 4.946 1.00 0.00 O ATOM 1097 CB ARG A 69 13.894 -2.562 5.522 1.00 0.00 C ATOM 1098 CG ARG A 69 14.675 -1.247 5.650 1.00 0.00 C ATOM 1099 CD ARG A 69 15.135 -1.055 7.097 1.00 0.00 C ATOM 1100 NE ARG A 69 14.027 -1.425 8.038 1.00 0.00 N ATOM 1101 CZ ARG A 69 12.855 -0.849 7.977 1.00 0.00 C ATOM 1102 NH1 ARG A 69 12.664 0.182 7.201 1.00 0.00 N ATOM 1103 NH2 ARG A 69 11.884 -1.277 8.736 1.00 0.00 N ATOM 0 H ARG A 69 12.092 -1.739 3.761 1.00 0.00 H new ATOM 0 HA ARG A 69 14.814 -2.995 3.613 1.00 0.00 H new ATOM 0 HB2 ARG A 69 12.890 -2.441 5.930 1.00 0.00 H new ATOM 0 HB3 ARG A 69 14.382 -3.344 6.104 1.00 0.00 H new ATOM 0 HG2 ARG A 69 15.537 -1.259 4.983 1.00 0.00 H new ATOM 0 HG3 ARG A 69 14.048 -0.410 5.344 1.00 0.00 H new ATOM 0 HD2 ARG A 69 16.012 -1.671 7.294 1.00 0.00 H new ATOM 0 HD3 ARG A 69 15.431 -0.019 7.259 1.00 0.00 H new ATOM 0 HE ARG A 69 14.192 -2.144 8.743 1.00 0.00 H new ATOM 0 HH11 ARG A 69 13.432 0.544 6.636 1.00 0.00 H new ATOM 0 HH12 ARG A 69 11.747 0.626 7.159 1.00 0.00 H new ATOM 0 HH21 ARG A 69 12.041 -2.058 9.373 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.968 -0.831 8.692 1.00 0.00 H new ATOM 1117 N TYR A 70 13.042 -4.883 2.754 1.00 0.00 N ATOM 1118 CA TYR A 70 12.455 -6.250 2.572 1.00 0.00 C ATOM 1119 C TYR A 70 13.568 -7.211 2.140 1.00 0.00 C ATOM 1120 O TYR A 70 14.074 -7.133 1.039 1.00 0.00 O ATOM 1121 CB TYR A 70 11.381 -6.202 1.477 1.00 0.00 C ATOM 1122 CG TYR A 70 10.112 -5.595 2.036 1.00 0.00 C ATOM 1123 CD1 TYR A 70 10.109 -4.264 2.500 1.00 0.00 C ATOM 1124 CD2 TYR A 70 8.936 -6.363 2.099 1.00 0.00 C ATOM 1125 CE1 TYR A 70 8.929 -3.704 3.023 1.00 0.00 C ATOM 1126 CE2 TYR A 70 7.755 -5.803 2.624 1.00 0.00 C ATOM 1127 CZ TYR A 70 7.752 -4.474 3.084 1.00 0.00 C ATOM 1128 OH TYR A 70 6.595 -3.925 3.599 1.00 0.00 O ATOM 0 H TYR A 70 13.299 -4.409 1.888 1.00 0.00 H new ATOM 0 HA TYR A 70 12.008 -6.588 3.507 1.00 0.00 H new ATOM 0 HB2 TYR A 70 11.736 -5.613 0.631 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.182 -7.207 1.105 1.00 0.00 H new ATOM 0 HD1 TYR A 70 11.012 -3.674 2.454 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.938 -7.383 1.745 1.00 0.00 H new ATOM 0 HE1 TYR A 70 8.926 -2.684 3.378 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.852 -6.394 2.673 1.00 0.00 H new ATOM 0 HH TYR A 70 5.851 -4.094 2.984 1.00 0.00 H new ATOM 1138 N GLN A 71 13.952 -8.114 3.000 1.00 0.00 N ATOM 1139 CA GLN A 71 15.032 -9.077 2.642 1.00 0.00 C ATOM 1140 C GLN A 71 14.933 -10.306 3.554 1.00 0.00 C ATOM 1141 O GLN A 71 14.107 -11.171 3.348 1.00 0.00 O ATOM 1142 CB GLN A 71 16.394 -8.395 2.814 1.00 0.00 C ATOM 1143 CG GLN A 71 17.514 -9.347 2.374 1.00 0.00 C ATOM 1144 CD GLN A 71 18.784 -8.545 2.081 1.00 0.00 C ATOM 1145 OE1 GLN A 71 19.514 -8.187 2.983 1.00 0.00 O ATOM 1146 NE2 GLN A 71 19.082 -8.246 0.844 1.00 0.00 N ATOM 0 H GLN A 71 13.564 -8.227 3.937 1.00 0.00 H new ATOM 0 HA GLN A 71 14.923 -9.394 1.605 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.429 -7.480 2.223 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.538 -8.107 3.856 1.00 0.00 H new ATOM 0 HG2 GLN A 71 17.708 -10.082 3.155 1.00 0.00 H new ATOM 0 HG3 GLN A 71 17.208 -9.899 1.486 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.470 -8.546 0.085 1.00 0.00 H new ATOM 0 HE22 GLN A 71 19.927 -7.713 0.637 1.00 0.00 H new ATOM 1155 N ALA A 72 15.758 -10.384 4.564 1.00 0.00 N ATOM 1156 CA ALA A 72 15.696 -11.552 5.489 1.00 0.00 C ATOM 1157 C ALA A 72 15.823 -12.855 4.697 1.00 0.00 C ATOM 1158 O ALA A 72 15.466 -13.915 5.172 1.00 0.00 O ATOM 1159 CB ALA A 72 14.364 -11.539 6.240 1.00 0.00 C ATOM 0 H ALA A 72 16.471 -9.690 4.788 1.00 0.00 H new ATOM 0 HA ALA A 72 16.518 -11.486 6.201 1.00 0.00 H new ATOM 0 HB1 ALA A 72 14.319 -12.393 6.916 1.00 0.00 H new ATOM 0 HB2 ALA A 72 14.279 -10.617 6.814 1.00 0.00 H new ATOM 0 HB3 ALA A 72 13.543 -11.598 5.526 1.00 0.00 H new ATOM 1165 N GLY A 73 16.325 -12.789 3.496 1.00 0.00 N ATOM 1166 CA GLY A 73 16.472 -14.031 2.680 1.00 0.00 C ATOM 1167 C GLY A 73 16.505 -13.672 1.195 1.00 0.00 C ATOM 1168 O GLY A 73 17.538 -13.343 0.648 1.00 0.00 O ATOM 0 H GLY A 73 16.640 -11.931 3.043 1.00 0.00 H new ATOM 0 HA2 GLY A 73 17.387 -14.554 2.958 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.643 -14.710 2.881 1.00 0.00 H new ATOM 1172 N GLU A 74 15.377 -13.732 0.536 1.00 0.00 N ATOM 1173 CA GLU A 74 15.334 -13.396 -0.919 1.00 0.00 C ATOM 1174 C GLU A 74 13.995 -12.732 -1.246 1.00 0.00 C ATOM 1175 O GLU A 74 13.348 -12.264 -0.324 1.00 0.00 O ATOM 1176 CB GLU A 74 15.479 -14.679 -1.740 1.00 0.00 C ATOM 1177 CG GLU A 74 14.569 -15.763 -1.159 1.00 0.00 C ATOM 1178 CD GLU A 74 14.634 -17.013 -2.038 1.00 0.00 C ATOM 1179 OE1 GLU A 74 15.723 -17.357 -2.465 1.00 0.00 O ATOM 1180 OE2 GLU A 74 13.592 -17.605 -2.269 1.00 0.00 O ATOM 1181 OXT GLU A 74 13.639 -12.704 -2.413 1.00 0.00 O ATOM 0 H GLU A 74 14.481 -14.000 0.944 1.00 0.00 H new ATOM 0 HA GLU A 74 16.149 -12.714 -1.161 1.00 0.00 H new ATOM 0 HB2 GLU A 74 15.217 -14.489 -2.781 1.00 0.00 H new ATOM 0 HB3 GLU A 74 16.516 -15.015 -1.729 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.878 -16.005 -0.142 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.543 -15.399 -1.102 1.00 0.00 H new TER 1188 GLU A 74