USER MOD reduce.3.24.130724 H: found=0, std=0, add=1058, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 891 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 116 THR OG1 : rot 172:sc= -7.38! USER MOD Set 1.2: A 125 LYS NZ :NH3+ 166:sc= -2.86 (180deg=-3.67!) USER MOD Set 2.1: A 115 GLN :FLIP amide:sc= -1.31 F(o=-6.1!,f=-2) USER MOD Set 2.2: A 117 TYR OH : rot 165:sc= -0.689 USER MOD Set 3.1: A 1 ALA N :NH3+ 169:sc= -0.292 (180deg=-0.524) USER MOD Set 3.2: A 41 THR OG1 : rot -159:sc= -1.56 USER MOD Set 4.1: A 5 THR OG1 : rot 27:sc= 1.93 USER MOD Set 4.2: A 39 THR OG1 : rot -41:sc= 0.593 USER MOD Single : A 7 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0274) USER MOD Single : A 11 ASN : amide:sc= -19.6! C(o=-20!,f=-22!) USER MOD Single : A 13 ASN :FLIP amide:sc= -12! C(o=-13!,f=-12!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= -1.68! (180deg=-1.68!) USER MOD Single : A 18 MET CE :methyl -102:sc= -1.1 (180deg=-2.88!) USER MOD Single : A 20 LYS NZ :NH3+ -130:sc= -0.667 (180deg=-0.822) USER MOD Single : A 21 MET CE :methyl -175:sc= -0.796 (180deg=-0.809) USER MOD Single : A 24 ASN : amide:sc= -1.52! C(o=-1.5!,f=-6!) USER MOD Single : A 27 LYS NZ :NH3+ -162:sc= 0.781 (180deg=0.247) USER MOD Single : A 29 LYS NZ :NH3+ 143:sc= -3.89! (180deg=-6.83!) USER MOD Single : A 33 HIS : no HD1:sc= -3.79! C(o=-3.8!,f=-7.8!) USER MOD Single : A 35 ASN : amide:sc= -0.0225 K(o=-0.022,f=-2.3!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN :FLIP amide:sc= -4.25! C(o=-7.7!,f=-4.3!) USER MOD Single : A 46 LYS NZ :NH3+ 155:sc= -0.899 (180deg=-3.28!) USER MOD Single : A 48 THR OG1 : rot 60:sc= 0.735 USER MOD Single : A 50 LYS NZ :NH3+ -159:sc= -0.0293 (180deg=-0.28) USER MOD Single : A 52 SER OG : rot 180:sc= -4.43! USER MOD Single : A 53 SER OG : rot -8:sc= 0.944 USER MOD Single : A 54 ASN : amide:sc= -0.181 K(o=-0.18,f=-3.7!) USER MOD Single : A 57 ASN : amide:sc= -6.79! C(o=-6.8!,f=-6.5!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -167:sc= -0.326! USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.148 USER MOD Single : A 79 THR OG1 : rot 33:sc= -10.1! USER MOD Single : A 81 THR OG1 : rot 107:sc= -1.04! USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0943 USER MOD Single : A 84 MET CE :methyl -151:sc= -8.44! (180deg=-9.04!) USER MOD Single : A 87 ASN : amide:sc= -0.406 X(o=-0.41,f=-0.41) USER MOD Single : A 88 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.0509) USER MOD Single : A 92 LYS NZ :NH3+ 156:sc= -3.64! (180deg=-5.86!) USER MOD Single : A 94 LYS NZ :NH3+ -132:sc=-0.000164 (180deg=-1.1) USER MOD Single : A 98 ASN :FLIP amide:sc= -0.176 F(o=-2.4!,f=-0.18) USER MOD Single : A 100 LYS NZ :NH3+ 150:sc= -3.75! (180deg=-6.33!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN :FLIP amide:sc= -2.14 F(o=-6.7!,f=-2.1) USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.519 USER MOD Single : A 119 TYR OH : rot 112:sc= 1.16 USER MOD Single : A 129 LYS NZ :NH3+ 151:sc= -5.22! (180deg=-6.98!) USER MOD Single : A 130 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0724) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 11.061 -10.828 9.354 1.00 0.00 N ATOM 2 CA ALA A 1 11.792 -11.607 8.323 1.00 0.00 C ATOM 3 C ALA A 1 10.824 -12.307 7.376 1.00 0.00 C ATOM 4 O ALA A 1 9.928 -13.030 7.813 1.00 0.00 O ATOM 5 CB ALA A 1 12.707 -12.625 8.986 1.00 0.00 C ATOM 0 H1 ALA A 1 11.726 -10.517 10.090 1.00 0.00 H new ATOM 0 H2 ALA A 1 10.619 -9.996 8.912 1.00 0.00 H new ATOM 0 H3 ALA A 1 10.325 -11.424 9.783 1.00 0.00 H new ATOM 0 HA ALA A 1 12.396 -10.913 7.738 1.00 0.00 H new ATOM 0 HB1 ALA A 1 13.238 -13.190 8.220 1.00 0.00 H new ATOM 0 HB2 ALA A 1 13.427 -12.108 9.620 1.00 0.00 H new ATOM 0 HB3 ALA A 1 12.112 -13.307 9.594 1.00 0.00 H new ATOM 13 N PHE A 2 11.013 -12.093 6.077 1.00 0.00 N ATOM 14 CA PHE A 2 10.159 -12.705 5.064 1.00 0.00 C ATOM 15 C PHE A 2 10.746 -12.522 3.670 1.00 0.00 C ATOM 16 O PHE A 2 10.834 -13.474 2.895 1.00 0.00 O ATOM 17 CB PHE A 2 8.756 -12.101 5.109 1.00 0.00 C ATOM 18 CG PHE A 2 7.855 -12.598 4.014 1.00 0.00 C ATOM 19 CD1 PHE A 2 7.568 -13.949 3.888 1.00 0.00 C ATOM 20 CD2 PHE A 2 7.304 -11.712 3.102 1.00 0.00 C ATOM 21 CE1 PHE A 2 6.746 -14.405 2.873 1.00 0.00 C ATOM 22 CE2 PHE A 2 6.482 -12.162 2.089 1.00 0.00 C ATOM 23 CZ PHE A 2 6.202 -13.509 1.972 1.00 0.00 C ATOM 0 H PHE A 2 11.752 -11.499 5.701 1.00 0.00 H new ATOM 0 HA PHE A 2 10.099 -13.771 5.282 1.00 0.00 H new ATOM 0 HB2 PHE A 2 8.302 -12.328 6.074 1.00 0.00 H new ATOM 0 HB3 PHE A 2 8.834 -11.016 5.041 1.00 0.00 H new ATOM 0 HD1 PHE A 2 7.991 -14.653 4.590 1.00 0.00 H new ATOM 0 HD2 PHE A 2 7.520 -10.657 3.185 1.00 0.00 H new ATOM 0 HE1 PHE A 2 6.530 -15.459 2.785 1.00 0.00 H new ATOM 0 HE2 PHE A 2 6.057 -11.460 1.387 1.00 0.00 H new ATOM 0 HZ PHE A 2 5.560 -13.862 1.179 1.00 0.00 H new ATOM 32 N ASP A 3 11.148 -11.293 3.354 1.00 0.00 N ATOM 33 CA ASP A 3 11.723 -10.994 2.055 1.00 0.00 C ATOM 34 C ASP A 3 12.877 -10.028 2.217 1.00 0.00 C ATOM 35 O ASP A 3 13.966 -10.245 1.686 1.00 0.00 O ATOM 36 CB ASP A 3 10.677 -10.373 1.136 1.00 0.00 C ATOM 37 CG ASP A 3 11.155 -10.265 -0.300 1.00 0.00 C ATOM 38 OD1 ASP A 3 12.170 -9.579 -0.540 1.00 0.00 O ATOM 39 OD2 ASP A 3 10.513 -10.868 -1.185 1.00 0.00 O ATOM 0 H ASP A 3 11.084 -10.492 3.983 1.00 0.00 H new ATOM 0 HA ASP A 3 12.078 -11.925 1.613 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.768 -10.973 1.169 1.00 0.00 H new ATOM 0 HB3 ASP A 3 10.418 -9.381 1.505 1.00 0.00 H new ATOM 43 N GLY A 4 12.631 -8.958 2.961 1.00 0.00 N ATOM 44 CA GLY A 4 13.664 -7.981 3.178 1.00 0.00 C ATOM 45 C GLY A 4 13.174 -6.729 3.874 1.00 0.00 C ATOM 46 O GLY A 4 12.109 -6.712 4.491 1.00 0.00 O ATOM 0 H GLY A 4 11.739 -8.755 3.413 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.459 -8.430 3.773 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.101 -7.706 2.218 1.00 0.00 H new ATOM 50 N THR A 5 13.947 -5.668 3.711 1.00 0.00 N ATOM 51 CA THR A 5 13.656 -4.372 4.223 1.00 0.00 C ATOM 52 C THR A 5 14.555 -3.483 3.438 1.00 0.00 C ATOM 53 O THR A 5 15.676 -3.858 3.110 1.00 0.00 O ATOM 54 CB THR A 5 13.873 -4.191 5.724 1.00 0.00 C ATOM 55 OG1 THR A 5 13.535 -2.844 6.052 1.00 0.00 O ATOM 56 CG2 THR A 5 15.313 -4.487 6.123 1.00 0.00 C ATOM 0 H THR A 5 14.826 -5.705 3.195 1.00 0.00 H new ATOM 0 HA THR A 5 12.593 -4.155 4.116 1.00 0.00 H new ATOM 0 HB THR A 5 13.243 -4.893 6.270 1.00 0.00 H new ATOM 0 HG1 THR A 5 12.881 -2.504 5.406 1.00 0.00 H new ATOM 0 HG21 THR A 5 15.429 -4.347 7.198 1.00 0.00 H new ATOM 0 HG22 THR A 5 15.559 -5.516 5.862 1.00 0.00 H new ATOM 0 HG23 THR A 5 15.984 -3.809 5.595 1.00 0.00 H new ATOM 64 N TRP A 6 14.040 -2.365 3.048 1.00 0.00 N ATOM 65 CA TRP A 6 14.723 -1.486 2.205 1.00 0.00 C ATOM 66 C TRP A 6 14.082 -0.199 2.590 1.00 0.00 C ATOM 67 O TRP A 6 12.989 -0.266 3.146 1.00 0.00 O ATOM 68 CB TRP A 6 14.491 -1.938 0.782 1.00 0.00 C ATOM 69 CG TRP A 6 13.911 -3.317 0.632 1.00 0.00 C ATOM 70 CD1 TRP A 6 14.483 -4.387 0.013 1.00 0.00 C ATOM 71 CD2 TRP A 6 12.634 -3.759 1.088 1.00 0.00 C ATOM 72 NE1 TRP A 6 13.649 -5.476 0.080 1.00 0.00 N ATOM 73 CE2 TRP A 6 12.501 -5.107 0.720 1.00 0.00 C ATOM 74 CE3 TRP A 6 11.595 -3.141 1.777 1.00 0.00 C ATOM 75 CZ2 TRP A 6 11.366 -5.842 1.012 1.00 0.00 C ATOM 76 CZ3 TRP A 6 10.469 -3.871 2.066 1.00 0.00 C ATOM 77 CH2 TRP A 6 10.363 -5.204 1.680 1.00 0.00 C ATOM 0 H TRP A 6 13.111 -2.044 3.321 1.00 0.00 H new ATOM 0 HA TRP A 6 15.808 -1.421 2.285 1.00 0.00 H new ATOM 0 HB2 TRP A 6 13.823 -1.226 0.296 1.00 0.00 H new ATOM 0 HB3 TRP A 6 15.440 -1.901 0.247 1.00 0.00 H new ATOM 0 HD1 TRP A 6 15.453 -4.380 -0.462 1.00 0.00 H new ATOM 0 HE1 TRP A 6 13.853 -6.405 -0.287 1.00 0.00 H new ATOM 0 HE3 TRP A 6 11.673 -2.107 2.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 11.278 -6.879 0.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 9.654 -3.405 2.600 1.00 0.00 H new ATOM 0 HH2 TRP A 6 9.461 -5.748 1.916 1.00 0.00 H new ATOM 87 N LYS A 7 14.691 0.956 2.472 1.00 0.00 N ATOM 88 CA LYS A 7 13.989 2.063 3.044 1.00 0.00 C ATOM 89 C LYS A 7 14.608 3.372 2.741 1.00 0.00 C ATOM 90 O LYS A 7 15.773 3.580 3.062 1.00 0.00 O ATOM 91 CB LYS A 7 13.971 1.868 4.538 1.00 0.00 C ATOM 92 CG LYS A 7 15.019 0.904 5.074 1.00 0.00 C ATOM 93 CD LYS A 7 16.432 1.350 4.710 1.00 0.00 C ATOM 94 CE LYS A 7 17.462 0.282 5.043 1.00 0.00 C ATOM 95 NZ LYS A 7 17.504 -0.015 6.502 1.00 0.00 N ATOM 0 H LYS A 7 15.589 1.143 2.027 1.00 0.00 H new ATOM 0 HA LYS A 7 12.988 2.084 2.613 1.00 0.00 H new ATOM 0 HB2 LYS A 7 14.112 2.837 5.017 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.985 1.508 4.830 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.928 0.832 6.158 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.837 -0.093 4.672 1.00 0.00 H new ATOM 0 HD2 LYS A 7 16.478 1.581 3.646 1.00 0.00 H new ATOM 0 HD3 LYS A 7 16.673 2.268 5.246 1.00 0.00 H new ATOM 0 HE2 LYS A 7 17.229 -0.630 4.494 1.00 0.00 H new ATOM 0 HE3 LYS A 7 18.447 0.612 4.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 18.275 -0.685 6.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 17.667 0.865 7.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.599 -0.434 6.797 1.00 0.00 H new ATOM 105 N VAL A 8 13.854 4.262 2.148 1.00 0.00 N ATOM 106 CA VAL A 8 14.410 5.539 1.825 1.00 0.00 C ATOM 107 C VAL A 8 13.427 6.529 1.363 1.00 0.00 C ATOM 108 O VAL A 8 13.434 7.691 1.770 1.00 0.00 O ATOM 109 CB VAL A 8 15.366 5.358 0.652 1.00 0.00 C ATOM 110 CG1 VAL A 8 16.762 4.990 1.128 1.00 0.00 C ATOM 111 CG2 VAL A 8 14.814 4.256 -0.230 1.00 0.00 C ATOM 0 H VAL A 8 12.877 4.127 1.886 1.00 0.00 H new ATOM 0 HA VAL A 8 14.871 5.901 2.744 1.00 0.00 H new ATOM 0 HB VAL A 8 15.447 6.295 0.100 1.00 0.00 H new ATOM 0 HG11 VAL A 8 17.420 4.868 0.267 1.00 0.00 H new ATOM 0 HG12 VAL A 8 17.148 5.782 1.770 1.00 0.00 H new ATOM 0 HG13 VAL A 8 16.721 4.056 1.688 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.479 4.103 -1.080 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.741 3.332 0.344 1.00 0.00 H new ATOM 0 HG23 VAL A 8 13.824 4.539 -0.589 1.00 0.00 H new ATOM 121 N ASP A 9 12.662 6.097 0.426 1.00 0.00 N ATOM 122 CA ASP A 9 11.773 6.979 -0.186 1.00 0.00 C ATOM 123 C ASP A 9 10.412 6.377 -0.449 1.00 0.00 C ATOM 124 O ASP A 9 9.942 5.486 0.258 1.00 0.00 O ATOM 125 CB ASP A 9 12.456 7.461 -1.446 1.00 0.00 C ATOM 126 CG ASP A 9 13.380 8.633 -1.176 1.00 0.00 C ATOM 127 OD1 ASP A 9 12.891 9.678 -0.699 1.00 0.00 O ATOM 128 OD2 ASP A 9 14.594 8.505 -1.443 1.00 0.00 O ATOM 0 H ASP A 9 12.643 5.139 0.076 1.00 0.00 H new ATOM 0 HA ASP A 9 11.552 7.813 0.480 1.00 0.00 H new ATOM 0 HB2 ASP A 9 13.027 6.643 -1.885 1.00 0.00 H new ATOM 0 HB3 ASP A 9 11.703 7.754 -2.178 1.00 0.00 H new ATOM 132 N ARG A 10 9.772 6.942 -1.428 1.00 0.00 N ATOM 133 CA ARG A 10 8.422 6.585 -1.796 1.00 0.00 C ATOM 134 C ARG A 10 8.137 7.254 -3.099 1.00 0.00 C ATOM 135 O ARG A 10 8.954 7.968 -3.600 1.00 0.00 O ATOM 136 CB ARG A 10 7.427 7.088 -0.767 1.00 0.00 C ATOM 137 CG ARG A 10 7.277 8.594 -0.838 1.00 0.00 C ATOM 138 CD ARG A 10 5.996 9.091 -0.197 1.00 0.00 C ATOM 139 NE ARG A 10 6.067 9.073 1.262 1.00 0.00 N ATOM 140 CZ ARG A 10 5.070 9.449 2.057 1.00 0.00 C ATOM 141 NH1 ARG A 10 3.924 9.869 1.537 1.00 0.00 N ATOM 142 NH2 ARG A 10 5.217 9.405 3.374 1.00 0.00 N ATOM 0 H ARG A 10 10.175 7.678 -2.008 1.00 0.00 H new ATOM 0 HA ARG A 10 8.329 5.501 -1.859 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.459 6.616 -0.933 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.756 6.800 0.231 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.129 9.062 -0.345 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.300 8.907 -1.882 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.792 10.106 -0.537 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.162 8.471 -0.526 1.00 0.00 H new ATOM 0 HE ARG A 10 6.933 8.753 1.696 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.806 9.904 0.524 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.161 10.157 2.150 1.00 0.00 H new ATOM 0 HH21 ARG A 10 6.096 9.082 3.779 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.451 9.694 3.983 1.00 0.00 H new ATOM 153 N ASN A 11 6.975 7.123 -3.621 1.00 0.00 N ATOM 154 CA ASN A 11 6.702 7.835 -4.819 1.00 0.00 C ATOM 155 C ASN A 11 6.292 9.164 -4.319 1.00 0.00 C ATOM 156 O ASN A 11 6.017 9.303 -3.133 1.00 0.00 O ATOM 157 CB ASN A 11 5.572 7.155 -5.594 1.00 0.00 C ATOM 158 CG ASN A 11 4.261 7.961 -5.748 1.00 0.00 C ATOM 159 OD1 ASN A 11 3.524 7.757 -6.709 1.00 0.00 O ATOM 160 ND2 ASN A 11 3.907 8.799 -4.780 1.00 0.00 N ATOM 0 H ASN A 11 6.216 6.549 -3.255 1.00 0.00 H new ATOM 0 HA ASN A 11 7.544 7.883 -5.509 1.00 0.00 H new ATOM 0 HB2 ASN A 11 5.941 6.909 -6.590 1.00 0.00 H new ATOM 0 HB3 ASN A 11 5.337 6.213 -5.099 1.00 0.00 H new ATOM 0 HD21 ASN A 11 3.011 9.284 -4.828 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.531 8.957 -3.989 1.00 0.00 H new ATOM 166 N GLU A 12 6.244 10.159 -5.133 1.00 0.00 N ATOM 167 CA GLU A 12 5.874 11.397 -4.570 1.00 0.00 C ATOM 168 C GLU A 12 4.439 11.608 -4.756 1.00 0.00 C ATOM 169 O GLU A 12 3.916 11.633 -5.841 1.00 0.00 O ATOM 170 CB GLU A 12 6.576 12.618 -5.150 1.00 0.00 C ATOM 171 CG GLU A 12 8.048 12.764 -4.836 1.00 0.00 C ATOM 172 CD GLU A 12 8.929 11.765 -5.561 1.00 0.00 C ATOM 173 OE1 GLU A 12 8.390 10.896 -6.276 1.00 0.00 O ATOM 174 OE2 GLU A 12 10.166 11.862 -5.420 1.00 0.00 O ATOM 0 H GLU A 12 6.444 10.143 -6.133 1.00 0.00 H new ATOM 0 HA GLU A 12 6.171 11.319 -3.524 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.459 12.596 -6.233 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.061 13.509 -4.792 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.368 13.773 -5.097 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.194 12.651 -3.762 1.00 0.00 H new ATOM 179 N ASN A 13 3.874 11.865 -3.653 1.00 0.00 N ATOM 180 CA ASN A 13 2.552 12.239 -3.516 1.00 0.00 C ATOM 181 C ASN A 13 2.719 13.685 -3.609 1.00 0.00 C ATOM 182 O ASN A 13 1.974 14.445 -4.197 1.00 0.00 O ATOM 183 CB ASN A 13 2.102 11.878 -2.138 1.00 0.00 C ATOM 184 CG ASN A 13 1.783 10.421 -1.972 1.00 0.00 C ATOM 185 OD1 ASN A 13 0.940 9.973 -2.854 1.00 0.00 O flip ATOM 186 ND2 ASN A 13 2.269 9.739 -1.071 1.00 0.00 N flip ATOM 0 H ASN A 13 4.367 11.813 -2.762 1.00 0.00 H new ATOM 0 HA ASN A 13 1.842 11.798 -4.216 1.00 0.00 H new ATOM 0 HB2 ASN A 13 2.880 12.154 -1.427 1.00 0.00 H new ATOM 0 HB3 ASN A 13 1.219 12.465 -1.888 1.00 0.00 H new ATOM 0 HD21 ASN A 13 2.926 10.157 -0.412 1.00 0.00 H new ATOM 0 HD22 ASN A 13 2.015 8.755 -0.982 1.00 0.00 H new ATOM 192 N TYR A 14 3.837 14.006 -3.043 1.00 0.00 N ATOM 193 CA TYR A 14 4.338 15.283 -3.019 1.00 0.00 C ATOM 194 C TYR A 14 4.507 15.749 -4.425 1.00 0.00 C ATOM 195 O TYR A 14 4.834 16.894 -4.659 1.00 0.00 O ATOM 196 CB TYR A 14 5.683 15.201 -2.314 1.00 0.00 C ATOM 197 CG TYR A 14 6.684 16.290 -2.652 1.00 0.00 C ATOM 198 CD1 TYR A 14 6.379 17.630 -2.463 1.00 0.00 C ATOM 199 CD2 TYR A 14 7.937 15.972 -3.162 1.00 0.00 C ATOM 200 CE1 TYR A 14 7.283 18.622 -2.775 1.00 0.00 C ATOM 201 CE2 TYR A 14 8.852 16.959 -3.476 1.00 0.00 C ATOM 202 CZ TYR A 14 8.519 18.284 -3.283 1.00 0.00 C ATOM 203 OH TYR A 14 9.425 19.271 -3.594 1.00 0.00 O ATOM 0 H TYR A 14 4.433 13.327 -2.569 1.00 0.00 H new ATOM 0 HA TYR A 14 3.680 15.982 -2.502 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.508 15.219 -1.238 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.134 14.237 -2.548 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.413 17.901 -2.063 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.200 14.936 -3.316 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.024 19.659 -2.622 1.00 0.00 H new ATOM 0 HE2 TYR A 14 9.822 16.695 -3.870 1.00 0.00 H new ATOM 0 HH TYR A 14 10.247 18.864 -3.940 1.00 0.00 H new ATOM 212 N GLU A 15 4.271 14.841 -5.361 1.00 0.00 N ATOM 213 CA GLU A 15 4.326 15.174 -6.745 1.00 0.00 C ATOM 214 C GLU A 15 2.975 15.053 -7.289 1.00 0.00 C ATOM 215 O GLU A 15 2.480 15.928 -7.915 1.00 0.00 O ATOM 216 CB GLU A 15 5.337 14.358 -7.529 1.00 0.00 C ATOM 217 CG GLU A 15 4.926 12.920 -7.794 1.00 0.00 C ATOM 218 CD GLU A 15 5.818 12.243 -8.816 1.00 0.00 C ATOM 219 OE1 GLU A 15 5.821 12.683 -9.985 1.00 0.00 O ATOM 220 OE2 GLU A 15 6.524 11.283 -8.444 1.00 0.00 O ATOM 0 H GLU A 15 4.040 13.867 -5.168 1.00 0.00 H new ATOM 0 HA GLU A 15 4.682 16.199 -6.844 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.519 14.851 -8.484 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.282 14.357 -6.986 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.957 12.358 -6.860 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.894 12.899 -8.145 1.00 0.00 H new ATOM 225 N LYS A 16 2.375 13.959 -6.982 1.00 0.00 N ATOM 226 CA LYS A 16 1.033 13.707 -7.435 1.00 0.00 C ATOM 227 C LYS A 16 0.188 14.789 -6.978 1.00 0.00 C ATOM 228 O LYS A 16 -0.353 15.568 -7.731 1.00 0.00 O ATOM 229 CB LYS A 16 0.470 12.445 -6.790 1.00 0.00 C ATOM 230 CG LYS A 16 1.498 11.448 -6.380 1.00 0.00 C ATOM 231 CD LYS A 16 0.856 10.377 -5.605 1.00 0.00 C ATOM 232 CE LYS A 16 0.869 9.062 -6.325 1.00 0.00 C ATOM 233 NZ LYS A 16 -0.269 8.202 -5.918 1.00 0.00 N ATOM 0 H LYS A 16 2.784 13.215 -6.417 1.00 0.00 H new ATOM 0 HA LYS A 16 1.054 13.609 -8.520 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.112 12.729 -5.913 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.219 11.971 -7.490 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.988 11.032 -7.260 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.271 11.931 -5.783 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.367 10.269 -4.648 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.174 10.658 -5.387 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.828 9.236 -7.400 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.807 8.545 -6.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.227 7.302 -6.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.215 8.016 -4.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.164 8.685 -6.135 1.00 0.00 H new ATOM 243 N PHE A 17 0.140 14.830 -5.711 1.00 0.00 N ATOM 244 CA PHE A 17 -0.613 15.809 -5.038 1.00 0.00 C ATOM 245 C PHE A 17 -0.062 17.088 -5.419 1.00 0.00 C ATOM 246 O PHE A 17 -0.760 18.092 -5.528 1.00 0.00 O ATOM 247 CB PHE A 17 -0.493 15.608 -3.551 1.00 0.00 C ATOM 248 CG PHE A 17 -0.895 14.203 -3.135 1.00 0.00 C ATOM 249 CD1 PHE A 17 -0.422 13.103 -3.826 1.00 0.00 C ATOM 250 CD2 PHE A 17 -1.793 13.973 -2.108 1.00 0.00 C ATOM 251 CE1 PHE A 17 -0.814 11.857 -3.521 1.00 0.00 C ATOM 252 CE2 PHE A 17 -2.193 12.682 -1.800 1.00 0.00 C ATOM 253 CZ PHE A 17 -1.692 11.621 -2.528 1.00 0.00 C ATOM 0 H PHE A 17 0.629 14.176 -5.099 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.670 15.749 -5.298 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.534 15.799 -3.241 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.122 16.333 -3.035 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.281 13.251 -4.632 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.185 14.805 -1.542 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.417 11.025 -4.084 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.892 12.507 -0.996 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.002 10.611 -2.303 1.00 0.00 H new ATOM 262 N MET A 18 1.207 17.035 -5.661 1.00 0.00 N ATOM 263 CA MET A 18 1.857 18.197 -6.073 1.00 0.00 C ATOM 264 C MET A 18 1.416 18.563 -7.462 1.00 0.00 C ATOM 265 O MET A 18 1.474 19.723 -7.877 1.00 0.00 O ATOM 266 CB MET A 18 3.323 17.983 -6.063 1.00 0.00 C ATOM 267 CG MET A 18 4.020 18.715 -7.193 1.00 0.00 C ATOM 268 SD MET A 18 5.723 18.183 -7.457 1.00 0.00 S ATOM 269 CE MET A 18 6.531 18.907 -6.034 1.00 0.00 C ATOM 0 H MET A 18 1.792 16.204 -5.577 1.00 0.00 H new ATOM 0 HA MET A 18 1.604 19.006 -5.388 1.00 0.00 H new ATOM 0 HB2 MET A 18 3.730 18.319 -5.110 1.00 0.00 H new ATOM 0 HB3 MET A 18 3.533 16.916 -6.141 1.00 0.00 H new ATOM 0 HG2 MET A 18 3.455 18.567 -8.113 1.00 0.00 H new ATOM 0 HG3 MET A 18 4.011 19.784 -6.982 1.00 0.00 H new ATOM 0 HE1 MET A 18 7.061 19.810 -6.337 1.00 0.00 H new ATOM 0 HE2 MET A 18 5.784 19.160 -5.281 1.00 0.00 H new ATOM 0 HE3 MET A 18 7.240 18.193 -5.616 1.00 0.00 H new ATOM 277 N GLU A 19 1.015 17.566 -8.204 1.00 0.00 N ATOM 278 CA GLU A 19 0.616 17.804 -9.537 1.00 0.00 C ATOM 279 C GLU A 19 -0.883 17.770 -9.635 1.00 0.00 C ATOM 280 O GLU A 19 -1.436 17.888 -10.728 1.00 0.00 O ATOM 281 CB GLU A 19 1.196 16.750 -10.467 1.00 0.00 C ATOM 282 CG GLU A 19 2.693 16.526 -10.286 1.00 0.00 C ATOM 283 CD GLU A 19 3.318 15.743 -11.425 1.00 0.00 C ATOM 284 OE1 GLU A 19 2.588 15.394 -12.378 1.00 0.00 O ATOM 285 OE2 GLU A 19 4.537 15.479 -11.365 1.00 0.00 O ATOM 0 H GLU A 19 0.961 16.594 -7.899 1.00 0.00 H new ATOM 0 HA GLU A 19 0.986 18.785 -9.834 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.675 15.807 -10.302 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.004 17.044 -11.499 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.191 17.492 -10.200 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.865 15.994 -9.350 1.00 0.00 H new ATOM 290 N LYS A 20 -1.560 17.557 -8.506 1.00 0.00 N ATOM 291 CA LYS A 20 -3.006 17.464 -8.591 1.00 0.00 C ATOM 292 C LYS A 20 -3.734 17.701 -7.277 1.00 0.00 C ATOM 293 O LYS A 20 -4.617 18.556 -7.197 1.00 0.00 O ATOM 294 CB LYS A 20 -3.377 16.083 -9.130 1.00 0.00 C ATOM 295 CG LYS A 20 -2.794 14.937 -8.312 1.00 0.00 C ATOM 296 CD LYS A 20 -3.062 13.591 -8.967 1.00 0.00 C ATOM 297 CE LYS A 20 -2.503 13.539 -10.380 1.00 0.00 C ATOM 298 NZ LYS A 20 -1.033 13.773 -10.407 1.00 0.00 N ATOM 0 H LYS A 20 -1.155 17.452 -7.576 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.327 18.264 -9.258 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.463 15.989 -9.151 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.030 15.998 -10.160 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.719 15.080 -8.198 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.225 14.948 -7.311 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.615 12.798 -8.368 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.136 13.404 -8.992 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.724 12.567 -10.822 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.001 14.289 -10.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.810 14.502 -11.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.715 14.092 -9.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.545 12.889 -10.656 1.00 0.00 H new ATOM 308 N MET A 21 -3.396 16.913 -6.270 1.00 0.00 N ATOM 309 CA MET A 21 -4.047 17.003 -4.975 1.00 0.00 C ATOM 310 C MET A 21 -4.233 18.427 -4.520 1.00 0.00 C ATOM 311 O MET A 21 -5.355 18.893 -4.323 1.00 0.00 O ATOM 312 CB MET A 21 -3.221 16.304 -3.939 1.00 0.00 C ATOM 313 CG MET A 21 -3.715 16.444 -2.528 1.00 0.00 C ATOM 314 SD MET A 21 -5.436 15.947 -2.318 1.00 0.00 S ATOM 315 CE MET A 21 -5.359 14.223 -2.802 1.00 0.00 C ATOM 0 H MET A 21 -2.669 16.199 -6.326 1.00 0.00 H new ATOM 0 HA MET A 21 -5.026 16.537 -5.089 1.00 0.00 H new ATOM 0 HB2 MET A 21 -3.176 15.244 -4.188 1.00 0.00 H new ATOM 0 HB3 MET A 21 -2.202 16.687 -3.990 1.00 0.00 H new ATOM 0 HG2 MET A 21 -3.088 15.842 -1.870 1.00 0.00 H new ATOM 0 HG3 MET A 21 -3.603 17.482 -2.213 1.00 0.00 H new ATOM 0 HE1 MET A 21 -6.364 13.802 -2.809 1.00 0.00 H new ATOM 0 HE2 MET A 21 -4.925 14.144 -3.799 1.00 0.00 H new ATOM 0 HE3 MET A 21 -4.741 13.673 -2.092 1.00 0.00 H new ATOM 323 N GLY A 22 -3.116 19.104 -4.325 1.00 0.00 N ATOM 324 CA GLY A 22 -3.195 20.482 -3.852 1.00 0.00 C ATOM 325 C GLY A 22 -1.861 21.177 -3.814 1.00 0.00 C ATOM 326 O GLY A 22 -1.744 22.320 -4.256 1.00 0.00 O ATOM 0 H GLY A 22 -2.174 18.743 -4.479 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.870 21.042 -4.499 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -3.630 20.491 -2.853 1.00 0.00 H new ATOM 330 N ILE A 23 -0.847 20.473 -3.311 1.00 0.00 N ATOM 331 CA ILE A 23 0.519 20.994 -3.237 1.00 0.00 C ATOM 332 C ILE A 23 0.665 22.165 -2.252 1.00 0.00 C ATOM 333 O ILE A 23 1.751 22.395 -1.719 1.00 0.00 O ATOM 334 CB ILE A 23 1.039 21.419 -4.637 1.00 0.00 C ATOM 335 CG1 ILE A 23 1.009 22.944 -4.809 1.00 0.00 C ATOM 336 CG2 ILE A 23 0.214 20.751 -5.736 1.00 0.00 C ATOM 337 CD1 ILE A 23 1.592 23.418 -6.124 1.00 0.00 C ATOM 0 H ILE A 23 -0.949 19.527 -2.944 1.00 0.00 H new ATOM 0 HA ILE A 23 1.128 20.172 -2.860 1.00 0.00 H new ATOM 0 HB ILE A 23 2.075 21.091 -4.718 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.022 23.290 -4.733 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.561 23.405 -3.990 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.591 21.059 -6.712 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.292 19.668 -5.642 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.830 21.049 -5.639 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.537 24.505 -6.175 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.633 23.103 -6.195 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.026 22.987 -6.950 1.00 0.00 H new ATOM 348 N ASN A 24 -0.412 22.916 -2.031 1.00 0.00 N ATOM 349 CA ASN A 24 -0.370 24.068 -1.133 1.00 0.00 C ATOM 350 C ASN A 24 -0.024 23.671 0.301 1.00 0.00 C ATOM 351 O ASN A 24 0.864 24.263 0.916 1.00 0.00 O ATOM 352 CB ASN A 24 -1.703 24.825 -1.174 1.00 0.00 C ATOM 353 CG ASN A 24 -2.900 23.939 -0.879 1.00 0.00 C ATOM 354 OD1 ASN A 24 -3.059 23.434 0.232 1.00 0.00 O ATOM 355 ND2 ASN A 24 -3.753 23.747 -1.879 1.00 0.00 N ATOM 0 H ASN A 24 -1.322 22.748 -2.460 1.00 0.00 H new ATOM 0 HA ASN A 24 0.425 24.725 -1.485 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.674 25.639 -0.450 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.827 25.277 -2.158 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.577 23.162 -1.741 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.584 24.184 -2.785 1.00 0.00 H new ATOM 361 N VAL A 25 -0.724 22.677 0.835 1.00 0.00 N ATOM 362 CA VAL A 25 -0.480 22.223 2.199 1.00 0.00 C ATOM 363 C VAL A 25 0.425 21.002 2.216 1.00 0.00 C ATOM 364 O VAL A 25 1.114 20.742 3.204 1.00 0.00 O ATOM 365 CB VAL A 25 -1.789 21.892 2.933 1.00 0.00 C ATOM 366 CG1 VAL A 25 -2.445 20.658 2.340 1.00 0.00 C ATOM 367 CG2 VAL A 25 -1.541 21.714 4.424 1.00 0.00 C ATOM 0 H VAL A 25 -1.463 22.171 0.346 1.00 0.00 H new ATOM 0 HA VAL A 25 0.012 23.045 2.718 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.473 22.731 2.802 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.370 20.444 2.876 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.668 20.835 1.288 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.769 19.808 2.429 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.481 21.480 4.924 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.834 20.899 4.581 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.130 22.635 4.837 1.00 0.00 H new ATOM 377 N VAL A 26 0.410 20.253 1.115 1.00 0.00 N ATOM 378 CA VAL A 26 1.224 19.049 0.989 1.00 0.00 C ATOM 379 C VAL A 26 0.666 17.935 1.879 1.00 0.00 C ATOM 380 O VAL A 26 1.315 17.497 2.830 1.00 0.00 O ATOM 381 CB VAL A 26 2.705 19.339 1.343 1.00 0.00 C ATOM 382 CG1 VAL A 26 3.612 18.177 0.966 1.00 0.00 C ATOM 383 CG2 VAL A 26 3.172 20.619 0.664 1.00 0.00 C ATOM 0 H VAL A 26 -0.160 20.461 0.295 1.00 0.00 H new ATOM 0 HA VAL A 26 1.186 18.719 -0.049 1.00 0.00 H new ATOM 0 HB VAL A 26 2.767 19.468 2.424 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.642 18.419 1.230 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.300 17.282 1.505 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.545 17.997 -0.107 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.214 20.809 0.922 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.080 20.512 -0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.557 21.454 1.000 1.00 0.00 H new ATOM 393 N LYS A 27 -0.561 17.498 1.560 1.00 0.00 N ATOM 394 CA LYS A 27 -1.250 16.445 2.319 1.00 0.00 C ATOM 395 C LYS A 27 -0.444 15.140 2.327 1.00 0.00 C ATOM 396 O LYS A 27 0.671 15.091 2.846 1.00 0.00 O ATOM 397 CB LYS A 27 -2.649 16.175 1.743 1.00 0.00 C ATOM 398 CG LYS A 27 -3.547 17.398 1.624 1.00 0.00 C ATOM 399 CD LYS A 27 -3.266 18.180 0.350 1.00 0.00 C ATOM 400 CE LYS A 27 -4.380 19.169 0.046 1.00 0.00 C ATOM 401 NZ LYS A 27 -5.684 18.485 -0.177 1.00 0.00 N ATOM 0 H LYS A 27 -1.100 17.862 0.774 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.347 16.803 3.344 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.538 15.728 0.755 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.148 15.438 2.372 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.591 17.085 1.636 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.398 18.045 2.489 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.321 18.714 0.451 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.154 17.489 -0.485 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.476 19.873 0.873 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.119 19.750 -0.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.334 19.130 -0.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.535 17.634 -0.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.094 18.213 0.739 1.00 0.00 H new ATOM 411 N ARG A 28 -1.019 14.078 1.745 1.00 0.00 N ATOM 412 CA ARG A 28 -0.355 12.778 1.684 1.00 0.00 C ATOM 413 C ARG A 28 0.984 12.886 0.967 1.00 0.00 C ATOM 414 O ARG A 28 1.722 11.907 0.887 1.00 0.00 O ATOM 415 CB ARG A 28 -1.265 11.739 1.001 1.00 0.00 C ATOM 416 CG ARG A 28 -0.542 10.539 0.385 1.00 0.00 C ATOM 417 CD ARG A 28 -1.523 9.453 -0.031 1.00 0.00 C ATOM 418 NE ARG A 28 -2.335 8.984 1.090 1.00 0.00 N ATOM 419 CZ ARG A 28 -3.301 8.076 0.970 1.00 0.00 C ATOM 420 NH1 ARG A 28 -3.573 7.547 -0.216 1.00 0.00 N ATOM 421 NH2 ARG A 28 -3.996 7.699 2.034 1.00 0.00 N ATOM 0 H ARG A 28 -1.942 14.099 1.311 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.161 12.443 2.703 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.983 11.372 1.734 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.836 12.239 0.218 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.032 10.864 -0.483 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.169 10.133 1.104 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.176 9.836 -0.815 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.974 8.613 -0.456 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.152 9.374 2.015 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.042 7.836 -1.037 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.313 6.851 -0.306 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.791 8.105 2.947 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.736 7.003 1.940 1.00 0.00 H new ATOM 432 N LYS A 29 1.306 14.083 0.464 1.00 0.00 N ATOM 433 CA LYS A 29 2.569 14.291 -0.217 1.00 0.00 C ATOM 434 C LYS A 29 3.730 13.870 0.638 1.00 0.00 C ATOM 435 O LYS A 29 3.802 12.730 1.097 1.00 0.00 O ATOM 436 CB LYS A 29 2.776 15.717 -0.648 1.00 0.00 C ATOM 437 CG LYS A 29 1.794 16.175 -1.693 1.00 0.00 C ATOM 438 CD LYS A 29 1.901 17.652 -2.008 1.00 0.00 C ATOM 439 CE LYS A 29 3.217 18.063 -2.624 1.00 0.00 C ATOM 440 NZ LYS A 29 3.306 19.538 -2.811 1.00 0.00 N ATOM 0 H LYS A 29 0.710 14.909 0.519 1.00 0.00 H new ATOM 0 HA LYS A 29 2.522 13.668 -1.110 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.697 16.367 0.223 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.788 15.828 -1.038 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.953 15.603 -2.607 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.782 15.956 -1.352 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.094 17.926 -2.688 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.750 18.219 -1.089 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.036 17.728 -1.988 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.338 17.567 -3.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.278 19.854 -2.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.048 19.780 -3.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.654 20.011 -2.154 1.00 0.00 H new ATOM 450 N LEU A 30 4.710 14.751 0.757 1.00 0.00 N ATOM 451 CA LEU A 30 5.913 14.385 1.453 1.00 0.00 C ATOM 452 C LEU A 30 6.471 13.266 0.612 1.00 0.00 C ATOM 453 O LEU A 30 7.374 12.527 1.006 1.00 0.00 O ATOM 454 CB LEU A 30 5.623 13.918 2.882 1.00 0.00 C ATOM 455 CG LEU A 30 4.891 14.933 3.765 1.00 0.00 C ATOM 456 CD1 LEU A 30 4.681 14.372 5.162 1.00 0.00 C ATOM 457 CD2 LEU A 30 5.659 16.246 3.828 1.00 0.00 C ATOM 0 H LEU A 30 4.691 15.701 0.387 1.00 0.00 H new ATOM 0 HA LEU A 30 6.604 15.220 1.568 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.028 13.006 2.835 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.567 13.659 3.361 1.00 0.00 H new ATOM 0 HG LEU A 30 3.915 15.129 3.321 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.160 15.107 5.775 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.085 13.461 5.103 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.647 14.145 5.612 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.121 16.952 4.460 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.650 16.068 4.245 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.756 16.659 2.824 1.00 0.00 H new ATOM 468 N GLY A 31 5.847 13.176 -0.575 1.00 0.00 N ATOM 469 CA GLY A 31 6.149 12.205 -1.571 1.00 0.00 C ATOM 470 C GLY A 31 7.629 11.856 -1.686 1.00 0.00 C ATOM 471 O GLY A 31 7.984 10.829 -2.259 1.00 0.00 O ATOM 0 H GLY A 31 5.098 13.811 -0.850 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.590 11.295 -1.354 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.799 12.572 -2.536 1.00 0.00 H new ATOM 475 N ALA A 32 8.495 12.711 -1.149 1.00 0.00 N ATOM 476 CA ALA A 32 9.938 12.464 -1.199 1.00 0.00 C ATOM 477 C ALA A 32 10.675 13.119 -0.026 1.00 0.00 C ATOM 478 O ALA A 32 10.064 13.494 0.976 1.00 0.00 O ATOM 479 CB ALA A 32 10.507 12.962 -2.520 1.00 0.00 C ATOM 0 H ALA A 32 8.228 13.575 -0.677 1.00 0.00 H new ATOM 0 HA ALA A 32 10.090 11.388 -1.119 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.580 12.774 -2.548 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.025 12.437 -3.345 1.00 0.00 H new ATOM 0 HB3 ALA A 32 10.324 14.032 -2.615 1.00 0.00 H new ATOM 485 N HIS A 33 11.996 13.255 -0.182 1.00 0.00 N ATOM 486 CA HIS A 33 12.880 13.868 0.823 1.00 0.00 C ATOM 487 C HIS A 33 12.440 13.593 2.266 1.00 0.00 C ATOM 488 O HIS A 33 12.012 14.501 2.979 1.00 0.00 O ATOM 489 CB HIS A 33 13.018 15.383 0.575 1.00 0.00 C ATOM 490 CG HIS A 33 11.779 16.188 0.840 1.00 0.00 C ATOM 491 ND1 HIS A 33 10.559 15.914 0.264 1.00 0.00 N ATOM 492 CD2 HIS A 33 11.584 17.277 1.622 1.00 0.00 C ATOM 493 CE1 HIS A 33 9.667 16.796 0.678 1.00 0.00 C ATOM 494 NE2 HIS A 33 10.263 17.634 1.504 1.00 0.00 N ATOM 0 H HIS A 33 12.490 12.940 -1.017 1.00 0.00 H new ATOM 0 HA HIS A 33 13.855 13.395 0.704 1.00 0.00 H new ATOM 0 HB2 HIS A 33 13.822 15.766 1.203 1.00 0.00 H new ATOM 0 HB3 HIS A 33 13.320 15.540 -0.461 1.00 0.00 H new ATOM 0 HD2 HIS A 33 12.329 17.773 2.226 1.00 0.00 H new ATOM 0 HE1 HIS A 33 8.627 16.826 0.389 1.00 0.00 H new ATOM 0 HE2 HIS A 33 9.816 18.419 1.978 1.00 0.00 H new ATOM 502 N ALA A 34 12.565 12.341 2.710 1.00 0.00 N ATOM 503 CA ALA A 34 12.185 11.996 4.079 1.00 0.00 C ATOM 504 C ALA A 34 12.596 10.571 4.461 1.00 0.00 C ATOM 505 O ALA A 34 12.362 9.626 3.708 1.00 0.00 O ATOM 506 CB ALA A 34 10.685 12.166 4.264 1.00 0.00 C ATOM 0 H ALA A 34 12.919 11.563 2.153 1.00 0.00 H new ATOM 0 HA ALA A 34 12.721 12.677 4.740 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.413 11.906 5.287 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.409 13.202 4.067 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.156 11.512 3.571 1.00 0.00 H new ATOM 512 N ASN A 35 13.182 10.423 5.655 1.00 0.00 N ATOM 513 CA ASN A 35 13.591 9.110 6.157 1.00 0.00 C ATOM 514 C ASN A 35 12.362 8.221 6.283 1.00 0.00 C ATOM 515 O ASN A 35 11.290 8.707 6.633 1.00 0.00 O ATOM 516 CB ASN A 35 14.290 9.243 7.512 1.00 0.00 C ATOM 517 CG ASN A 35 15.570 10.047 7.426 1.00 0.00 C ATOM 518 OD1 ASN A 35 15.560 11.215 7.035 1.00 0.00 O ATOM 519 ND2 ASN A 35 16.685 9.424 7.794 1.00 0.00 N ATOM 0 H ASN A 35 13.383 11.196 6.289 1.00 0.00 H new ATOM 0 HA ASN A 35 14.297 8.662 5.457 1.00 0.00 H new ATOM 0 HB2 ASN A 35 13.613 9.718 8.222 1.00 0.00 H new ATOM 0 HB3 ASN A 35 14.514 8.250 7.901 1.00 0.00 H new ATOM 0 HD21 ASN A 35 17.579 9.914 7.759 1.00 0.00 H new ATOM 0 HD22 ASN A 35 16.647 8.455 8.112 1.00 0.00 H new ATOM 525 N LEU A 36 12.496 6.933 5.970 1.00 0.00 N ATOM 526 CA LEU A 36 11.373 6.033 6.031 1.00 0.00 C ATOM 527 C LEU A 36 11.852 4.617 5.873 1.00 0.00 C ATOM 528 O LEU A 36 12.757 4.373 5.078 1.00 0.00 O ATOM 529 CB LEU A 36 10.388 6.391 4.922 1.00 0.00 C ATOM 530 CG LEU A 36 11.013 6.476 3.524 1.00 0.00 C ATOM 531 CD1 LEU A 36 11.187 5.088 2.937 1.00 0.00 C ATOM 532 CD2 LEU A 36 10.170 7.373 2.613 1.00 0.00 C ATOM 0 H LEU A 36 13.372 6.502 5.674 1.00 0.00 H new ATOM 0 HA LEU A 36 10.874 6.124 6.996 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.591 5.647 4.906 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.925 7.349 5.159 1.00 0.00 H new ATOM 0 HG LEU A 36 12.002 6.927 3.606 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.632 5.166 1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.839 4.499 3.582 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.215 4.600 2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.628 7.422 1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.164 6.961 2.526 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.116 8.375 3.038 1.00 0.00 H new ATOM 543 N LYS A 37 11.293 3.667 6.609 1.00 0.00 N ATOM 544 CA LYS A 37 11.779 2.330 6.428 1.00 0.00 C ATOM 545 C LYS A 37 10.727 1.440 5.780 1.00 0.00 C ATOM 546 O LYS A 37 9.537 1.631 6.019 1.00 0.00 O ATOM 547 CB LYS A 37 12.281 1.736 7.730 1.00 0.00 C ATOM 548 CG LYS A 37 11.194 1.502 8.752 1.00 0.00 C ATOM 549 CD LYS A 37 11.797 1.340 10.131 1.00 0.00 C ATOM 550 CE LYS A 37 12.706 0.121 10.214 1.00 0.00 C ATOM 551 NZ LYS A 37 13.301 -0.039 11.569 1.00 0.00 N ATOM 0 H LYS A 37 10.548 3.793 7.294 1.00 0.00 H new ATOM 0 HA LYS A 37 12.629 2.383 5.748 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.778 0.789 7.519 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.031 2.402 8.157 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.496 2.339 8.749 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.624 0.611 8.490 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.365 2.235 10.386 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.999 1.248 10.868 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.137 -0.773 9.960 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.503 0.212 9.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.913 -0.880 11.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.865 0.803 11.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.542 -0.152 12.270 1.00 0.00 H new ATOM 561 N LEU A 38 11.145 0.467 4.953 1.00 0.00 N ATOM 562 CA LEU A 38 10.186 -0.398 4.316 1.00 0.00 C ATOM 563 C LEU A 38 10.535 -1.833 4.637 1.00 0.00 C ATOM 564 O LEU A 38 11.650 -2.271 4.414 1.00 0.00 O ATOM 565 CB LEU A 38 10.215 -0.189 2.808 1.00 0.00 C ATOM 566 CG LEU A 38 8.867 -0.261 2.085 1.00 0.00 C ATOM 567 CD1 LEU A 38 8.122 -1.541 2.428 1.00 0.00 C ATOM 568 CD2 LEU A 38 8.032 0.964 2.414 1.00 0.00 C ATOM 0 H LEU A 38 12.121 0.276 4.725 1.00 0.00 H new ATOM 0 HA LEU A 38 9.186 -0.167 4.682 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.659 0.786 2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 38 10.877 -0.937 2.372 1.00 0.00 H new ATOM 0 HG LEU A 38 9.054 -0.275 1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.169 -1.561 1.898 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.721 -2.402 2.130 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.941 -1.580 3.502 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.076 0.903 1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.859 1.008 3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.561 1.862 2.094 1.00 0.00 H new ATOM 579 N THR A 39 9.587 -2.544 5.184 1.00 0.00 N ATOM 580 CA THR A 39 9.785 -3.933 5.572 1.00 0.00 C ATOM 581 C THR A 39 8.505 -4.696 5.201 1.00 0.00 C ATOM 582 O THR A 39 7.534 -4.045 4.828 1.00 0.00 O ATOM 583 CB THR A 39 10.054 -4.004 7.080 1.00 0.00 C ATOM 584 OG1 THR A 39 11.159 -3.153 7.410 1.00 0.00 O ATOM 585 CG2 THR A 39 10.364 -5.429 7.515 1.00 0.00 C ATOM 0 H THR A 39 8.652 -2.186 5.378 1.00 0.00 H new ATOM 0 HA THR A 39 10.640 -4.375 5.060 1.00 0.00 H new ATOM 0 HB THR A 39 9.158 -3.672 7.604 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.852 -3.235 6.722 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.551 -5.449 8.589 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.516 -6.073 7.282 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.248 -5.787 6.986 1.00 0.00 H new ATOM 593 N ILE A 40 8.452 -6.038 5.271 1.00 0.00 N ATOM 594 CA ILE A 40 7.236 -6.741 4.910 1.00 0.00 C ATOM 595 C ILE A 40 7.305 -8.163 5.461 1.00 0.00 C ATOM 596 O ILE A 40 8.248 -8.895 5.163 1.00 0.00 O ATOM 597 CB ILE A 40 7.063 -6.857 3.380 1.00 0.00 C ATOM 598 CG1 ILE A 40 8.006 -7.901 2.805 1.00 0.00 C ATOM 599 CG2 ILE A 40 7.220 -5.528 2.662 1.00 0.00 C ATOM 600 CD1 ILE A 40 9.476 -7.675 3.099 1.00 0.00 C ATOM 0 H ILE A 40 9.224 -6.634 5.568 1.00 0.00 H new ATOM 0 HA ILE A 40 6.400 -6.176 5.323 1.00 0.00 H new ATOM 0 HB ILE A 40 6.036 -7.180 3.208 1.00 0.00 H new ATOM 0 HG12 ILE A 40 7.720 -8.879 3.193 1.00 0.00 H new ATOM 0 HG13 ILE A 40 7.869 -7.935 1.724 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.087 -5.676 1.590 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.470 -4.826 3.027 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.215 -5.127 2.853 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.064 -8.473 2.646 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.786 -6.716 2.685 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.635 -7.674 4.177 1.00 0.00 H new ATOM 611 N THR A 41 6.366 -8.578 6.285 1.00 0.00 N ATOM 612 CA THR A 41 6.484 -9.939 6.804 1.00 0.00 C ATOM 613 C THR A 41 5.297 -10.436 7.646 1.00 0.00 C ATOM 614 O THR A 41 4.959 -9.828 8.662 1.00 0.00 O ATOM 615 CB THR A 41 7.809 -10.045 7.575 1.00 0.00 C ATOM 616 OG1 THR A 41 8.006 -11.370 8.077 1.00 0.00 O ATOM 617 CG2 THR A 41 7.895 -9.040 8.702 1.00 0.00 C ATOM 0 H THR A 41 5.559 -8.039 6.599 1.00 0.00 H new ATOM 0 HA THR A 41 6.472 -10.608 5.943 1.00 0.00 H new ATOM 0 HB THR A 41 8.605 -9.815 6.867 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.647 -11.347 8.818 1.00 0.00 H new ATOM 0 HG21 THR A 41 8.848 -9.153 9.218 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.819 -8.031 8.296 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.080 -9.211 9.405 1.00 0.00 H new ATOM 625 N GLN A 42 4.687 -11.570 7.245 1.00 0.00 N ATOM 626 CA GLN A 42 3.576 -12.146 8.003 1.00 0.00 C ATOM 627 C GLN A 42 3.240 -13.558 7.549 1.00 0.00 C ATOM 628 O GLN A 42 3.608 -14.536 8.200 1.00 0.00 O ATOM 629 CB GLN A 42 2.306 -11.312 7.898 1.00 0.00 C ATOM 630 CG GLN A 42 1.122 -12.021 8.525 1.00 0.00 C ATOM 631 CD GLN A 42 1.202 -12.065 10.038 1.00 0.00 C ATOM 632 OE1 GLN A 42 1.229 -11.029 10.702 1.00 0.00 O ATOM 633 NE2 GLN A 42 1.242 -13.271 10.594 1.00 0.00 N ATOM 0 H GLN A 42 4.947 -12.094 6.409 1.00 0.00 H new ATOM 0 HA GLN A 42 3.921 -12.161 9.037 1.00 0.00 H new ATOM 0 HB2 GLN A 42 2.459 -10.352 8.390 1.00 0.00 H new ATOM 0 HB3 GLN A 42 2.093 -11.103 6.850 1.00 0.00 H new ATOM 0 HG2 GLN A 42 0.203 -11.516 8.228 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.066 -13.039 8.138 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.217 -14.104 10.007 1.00 0.00 H new ATOM 0 HE22 GLN A 42 1.297 -13.363 11.608 1.00 0.00 H new ATOM 640 N GLU A 43 2.526 -13.654 6.435 1.00 0.00 N ATOM 641 CA GLU A 43 2.125 -14.931 5.899 1.00 0.00 C ATOM 642 C GLU A 43 2.819 -15.107 4.578 1.00 0.00 C ATOM 643 O GLU A 43 3.413 -14.138 4.102 1.00 0.00 O ATOM 644 CB GLU A 43 0.609 -15.015 5.720 1.00 0.00 C ATOM 645 CG GLU A 43 -0.174 -14.532 6.926 1.00 0.00 C ATOM 646 CD GLU A 43 -1.668 -14.758 6.786 1.00 0.00 C ATOM 647 OE1 GLU A 43 -2.094 -15.294 5.740 1.00 0.00 O ATOM 648 OE2 GLU A 43 -2.413 -14.398 7.722 1.00 0.00 O ATOM 0 H GLU A 43 2.215 -12.851 5.888 1.00 0.00 H new ATOM 0 HA GLU A 43 2.405 -15.724 6.593 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.321 -14.424 4.850 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.333 -16.048 5.509 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.185 -15.048 7.817 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.016 -13.469 7.075 1.00 0.00 H new ATOM 653 N GLY A 44 2.789 -16.276 3.933 1.00 0.00 N ATOM 654 CA GLY A 44 3.496 -16.248 2.693 1.00 0.00 C ATOM 655 C GLY A 44 2.574 -16.047 1.518 1.00 0.00 C ATOM 656 O GLY A 44 2.349 -16.900 0.659 1.00 0.00 O ATOM 0 H GLY A 44 2.337 -17.145 4.217 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.234 -15.446 2.715 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.044 -17.182 2.568 1.00 0.00 H new ATOM 660 N ASN A 45 2.205 -14.794 1.486 1.00 0.00 N ATOM 661 CA ASN A 45 1.448 -14.090 0.476 1.00 0.00 C ATOM 662 C ASN A 45 1.267 -12.761 1.148 1.00 0.00 C ATOM 663 O ASN A 45 0.276 -12.569 1.842 1.00 0.00 O ATOM 664 CB ASN A 45 0.096 -14.746 0.167 1.00 0.00 C ATOM 665 CG ASN A 45 -0.651 -15.266 1.396 1.00 0.00 C ATOM 666 OD1 ASN A 45 -0.051 -15.161 2.583 1.00 0.00 O flip ATOM 667 ND2 ASN A 45 -1.768 -15.768 1.273 1.00 0.00 N flip ATOM 0 H ASN A 45 2.454 -14.169 2.252 1.00 0.00 H new ATOM 0 HA ASN A 45 1.940 -14.060 -0.496 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.536 -14.022 -0.347 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.257 -15.575 -0.522 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.199 -15.833 0.351 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.263 -16.119 2.093 1.00 0.00 H new ATOM 673 N LYS A 46 2.239 -11.891 1.047 1.00 0.00 N ATOM 674 CA LYS A 46 2.161 -10.655 1.799 1.00 0.00 C ATOM 675 C LYS A 46 3.355 -9.750 1.487 1.00 0.00 C ATOM 676 O LYS A 46 4.423 -10.255 1.157 1.00 0.00 O ATOM 677 CB LYS A 46 2.238 -11.059 3.284 1.00 0.00 C ATOM 678 CG LYS A 46 1.112 -10.568 4.182 1.00 0.00 C ATOM 679 CD LYS A 46 -0.054 -11.531 4.258 1.00 0.00 C ATOM 680 CE LYS A 46 -0.879 -11.290 5.509 1.00 0.00 C ATOM 681 NZ LYS A 46 -2.085 -12.160 5.562 1.00 0.00 N ATOM 0 H LYS A 46 3.073 -12.004 0.471 1.00 0.00 H new ATOM 0 HA LYS A 46 1.248 -10.114 1.550 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.269 -12.147 3.340 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.181 -10.692 3.689 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.503 -10.401 5.186 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.756 -9.605 3.814 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.683 -11.416 3.375 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.316 -12.556 4.254 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.263 -11.472 6.389 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.185 -10.245 5.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.377 -12.289 6.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.858 -11.714 5.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.864 -13.086 5.142 1.00 0.00 H new ATOM 691 N PHE A 47 3.232 -8.453 1.742 1.00 0.00 N ATOM 692 CA PHE A 47 4.371 -7.546 1.629 1.00 0.00 C ATOM 693 C PHE A 47 4.034 -6.286 2.388 1.00 0.00 C ATOM 694 O PHE A 47 3.422 -5.369 1.841 1.00 0.00 O ATOM 695 CB PHE A 47 4.687 -7.179 0.177 1.00 0.00 C ATOM 696 CG PHE A 47 5.702 -8.056 -0.487 1.00 0.00 C ATOM 697 CD1 PHE A 47 5.321 -9.206 -1.146 1.00 0.00 C ATOM 698 CD2 PHE A 47 7.044 -7.724 -0.448 1.00 0.00 C ATOM 699 CE1 PHE A 47 6.255 -10.009 -1.755 1.00 0.00 C ATOM 700 CE2 PHE A 47 7.987 -8.525 -1.056 1.00 0.00 C ATOM 701 CZ PHE A 47 7.591 -9.671 -1.711 1.00 0.00 C ATOM 0 H PHE A 47 2.361 -8.006 2.027 1.00 0.00 H new ATOM 0 HA PHE A 47 5.250 -8.046 2.035 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.763 -7.215 -0.401 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.042 -6.149 0.147 1.00 0.00 H new ATOM 0 HD1 PHE A 47 4.277 -9.479 -1.184 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.357 -6.827 0.065 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.942 -10.906 -2.269 1.00 0.00 H new ATOM 0 HE2 PHE A 47 9.032 -8.255 -1.019 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.325 -10.303 -2.189 1.00 0.00 H new ATOM 710 N THR A 48 4.434 -6.246 3.658 1.00 0.00 N ATOM 711 CA THR A 48 4.154 -5.085 4.474 1.00 0.00 C ATOM 712 C THR A 48 4.717 -5.145 5.893 1.00 0.00 C ATOM 713 O THR A 48 4.319 -5.975 6.687 1.00 0.00 O ATOM 714 CB THR A 48 2.666 -4.795 4.511 1.00 0.00 C ATOM 715 OG1 THR A 48 2.362 -3.672 3.673 1.00 0.00 O ATOM 716 CG2 THR A 48 2.236 -4.526 5.928 1.00 0.00 C ATOM 0 H THR A 48 4.943 -6.993 4.130 1.00 0.00 H new ATOM 0 HA THR A 48 4.681 -4.266 3.984 1.00 0.00 H new ATOM 0 HB THR A 48 2.122 -5.662 4.137 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.626 -3.871 2.750 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.166 -4.318 5.950 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.449 -5.399 6.545 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.781 -3.666 6.317 1.00 0.00 H new ATOM 724 N VAL A 49 5.577 -4.211 6.210 1.00 0.00 N ATOM 725 CA VAL A 49 6.155 -4.051 7.532 1.00 0.00 C ATOM 726 C VAL A 49 6.947 -2.775 7.483 1.00 0.00 C ATOM 727 O VAL A 49 7.848 -2.701 6.710 1.00 0.00 O ATOM 728 CB VAL A 49 7.122 -5.171 7.944 1.00 0.00 C ATOM 729 CG1 VAL A 49 7.828 -4.786 9.233 1.00 0.00 C ATOM 730 CG2 VAL A 49 6.430 -6.496 8.130 1.00 0.00 C ATOM 0 H VAL A 49 5.908 -3.517 5.540 1.00 0.00 H new ATOM 0 HA VAL A 49 5.341 -4.062 8.257 1.00 0.00 H new ATOM 0 HB VAL A 49 7.841 -5.290 7.133 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.514 -5.582 9.524 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.387 -3.863 9.080 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.090 -4.637 10.021 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.161 -7.251 8.421 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.673 -6.405 8.909 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.955 -6.793 7.195 1.00 0.00 H new ATOM 740 N LYS A 50 6.660 -1.740 8.212 1.00 0.00 N ATOM 741 CA LYS A 50 7.504 -0.578 8.017 1.00 0.00 C ATOM 742 C LYS A 50 7.253 0.510 9.030 1.00 0.00 C ATOM 743 O LYS A 50 6.238 1.191 8.941 1.00 0.00 O ATOM 744 CB LYS A 50 7.294 -0.039 6.604 1.00 0.00 C ATOM 745 CG LYS A 50 5.996 -0.488 5.967 1.00 0.00 C ATOM 746 CD LYS A 50 5.935 -0.110 4.508 1.00 0.00 C ATOM 747 CE LYS A 50 4.651 -0.597 3.853 1.00 0.00 C ATOM 748 NZ LYS A 50 4.593 -0.238 2.409 1.00 0.00 N ATOM 0 H LYS A 50 5.910 -1.662 8.899 1.00 0.00 H new ATOM 0 HA LYS A 50 8.537 -0.896 8.156 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.316 1.050 6.633 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.126 -0.358 5.976 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.895 -1.569 6.068 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.156 -0.038 6.496 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.005 0.973 4.410 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.793 -0.534 3.986 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.576 -1.679 3.961 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.794 -0.165 4.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.604 -0.255 2.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.985 0.715 2.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.149 -0.923 1.858 1.00 0.00 H new ATOM 758 N GLU A 51 8.160 0.719 9.975 1.00 0.00 N ATOM 759 CA GLU A 51 7.921 1.775 10.928 1.00 0.00 C ATOM 760 C GLU A 51 9.008 2.858 10.924 1.00 0.00 C ATOM 761 O GLU A 51 9.855 2.888 11.818 1.00 0.00 O ATOM 762 CB GLU A 51 7.872 1.150 12.323 1.00 0.00 C ATOM 763 CG GLU A 51 7.227 -0.231 12.354 1.00 0.00 C ATOM 764 CD GLU A 51 7.328 -0.888 13.718 1.00 0.00 C ATOM 765 OE1 GLU A 51 8.465 -1.093 14.194 1.00 0.00 O ATOM 766 OE2 GLU A 51 6.273 -1.196 14.309 1.00 0.00 O ATOM 0 H GLU A 51 9.027 0.195 10.095 1.00 0.00 H new ATOM 0 HA GLU A 51 6.984 2.259 10.651 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.887 1.076 12.714 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.321 1.814 12.990 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.178 -0.145 12.072 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.705 -0.869 11.611 1.00 0.00 H new ATOM 771 N SER A 52 8.913 3.822 9.984 1.00 0.00 N ATOM 772 CA SER A 52 9.811 4.956 9.974 1.00 0.00 C ATOM 773 C SER A 52 9.446 5.991 8.922 1.00 0.00 C ATOM 774 O SER A 52 9.326 5.684 7.742 1.00 0.00 O ATOM 775 CB SER A 52 11.260 4.508 9.837 1.00 0.00 C ATOM 776 OG SER A 52 11.837 4.907 8.619 1.00 0.00 O ATOM 0 H SER A 52 8.222 3.822 9.234 1.00 0.00 H new ATOM 0 HA SER A 52 9.698 5.451 10.939 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.843 4.918 10.662 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.310 3.422 9.920 1.00 0.00 H new ATOM 0 HG SER A 52 12.766 4.597 8.580 1.00 0.00 H new ATOM 781 N SER A 53 9.324 7.226 9.381 1.00 0.00 N ATOM 782 CA SER A 53 9.054 8.378 8.530 1.00 0.00 C ATOM 783 C SER A 53 9.293 9.641 9.347 1.00 0.00 C ATOM 784 O SER A 53 8.509 9.966 10.238 1.00 0.00 O ATOM 785 CB SER A 53 7.653 8.376 7.920 1.00 0.00 C ATOM 786 OG SER A 53 7.450 7.243 7.094 1.00 0.00 O ATOM 0 H SER A 53 9.411 7.462 10.370 1.00 0.00 H new ATOM 0 HA SER A 53 9.733 8.334 7.678 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.908 8.386 8.716 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.508 9.285 7.336 1.00 0.00 H new ATOM 0 HG SER A 53 8.298 6.764 6.981 1.00 0.00 H new ATOM 791 N ASN A 54 10.403 10.321 9.068 1.00 0.00 N ATOM 792 CA ASN A 54 10.786 11.528 9.803 1.00 0.00 C ATOM 793 C ASN A 54 11.392 11.157 11.159 1.00 0.00 C ATOM 794 O ASN A 54 12.332 11.805 11.622 1.00 0.00 O ATOM 795 CB ASN A 54 9.593 12.472 9.994 1.00 0.00 C ATOM 796 CG ASN A 54 9.011 12.941 8.675 1.00 0.00 C ATOM 797 OD1 ASN A 54 8.574 12.136 7.853 1.00 0.00 O ATOM 798 ND2 ASN A 54 9.001 14.253 8.467 1.00 0.00 N ATOM 0 H ASN A 54 11.058 10.055 8.333 1.00 0.00 H new ATOM 0 HA ASN A 54 11.536 12.053 9.211 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.819 11.964 10.569 1.00 0.00 H new ATOM 0 HB3 ASN A 54 9.907 13.337 10.578 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.621 14.629 7.598 1.00 0.00 H new ATOM 0 HD22 ASN A 54 9.374 14.885 9.176 1.00 0.00 H new ATOM 804 N PHE A 55 10.862 10.103 11.789 1.00 0.00 N ATOM 805 CA PHE A 55 11.370 9.647 13.084 1.00 0.00 C ATOM 806 C PHE A 55 10.809 8.270 13.438 1.00 0.00 C ATOM 807 O PHE A 55 11.545 7.379 13.862 1.00 0.00 O ATOM 808 CB PHE A 55 11.048 10.673 14.181 1.00 0.00 C ATOM 809 CG PHE A 55 9.615 11.135 14.202 1.00 0.00 C ATOM 810 CD1 PHE A 55 8.623 10.362 14.787 1.00 0.00 C ATOM 811 CD2 PHE A 55 9.265 12.356 13.648 1.00 0.00 C ATOM 812 CE1 PHE A 55 7.311 10.797 14.813 1.00 0.00 C ATOM 813 CE2 PHE A 55 7.955 12.796 13.674 1.00 0.00 C ATOM 814 CZ PHE A 55 6.977 12.015 14.256 1.00 0.00 C ATOM 0 H PHE A 55 10.085 9.553 11.424 1.00 0.00 H new ATOM 0 HA PHE A 55 12.454 9.555 13.012 1.00 0.00 H new ATOM 0 HB2 PHE A 55 11.291 10.238 15.150 1.00 0.00 H new ATOM 0 HB3 PHE A 55 11.695 11.541 14.050 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.878 9.409 15.227 1.00 0.00 H new ATOM 0 HD2 PHE A 55 10.025 12.971 13.190 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.548 10.184 15.269 1.00 0.00 H new ATOM 0 HE2 PHE A 55 7.697 13.750 13.239 1.00 0.00 H new ATOM 0 HZ PHE A 55 5.953 12.356 14.276 1.00 0.00 H new ATOM 823 N ARG A 56 9.508 8.104 13.238 1.00 0.00 N ATOM 824 CA ARG A 56 8.815 6.844 13.507 1.00 0.00 C ATOM 825 C ARG A 56 7.557 6.795 12.657 1.00 0.00 C ATOM 826 O ARG A 56 6.802 7.765 12.625 1.00 0.00 O ATOM 827 CB ARG A 56 8.437 6.723 14.989 1.00 0.00 C ATOM 828 CG ARG A 56 9.619 6.783 15.942 1.00 0.00 C ATOM 829 CD ARG A 56 9.192 6.510 17.376 1.00 0.00 C ATOM 830 NE ARG A 56 8.674 5.154 17.542 1.00 0.00 N ATOM 831 CZ ARG A 56 9.408 4.056 17.374 1.00 0.00 C ATOM 832 NH1 ARG A 56 10.694 4.152 17.058 1.00 0.00 N ATOM 833 NH2 ARG A 56 8.859 2.859 17.527 1.00 0.00 N ATOM 0 H ARG A 56 8.898 8.841 12.883 1.00 0.00 H new ATOM 0 HA ARG A 56 9.479 6.015 13.261 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.741 7.523 15.241 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.909 5.782 15.142 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.369 6.053 15.639 1.00 0.00 H new ATOM 0 HG3 ARG A 56 10.087 7.765 15.881 1.00 0.00 H new ATOM 0 HD2 ARG A 56 10.042 6.658 18.042 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.428 7.229 17.670 1.00 0.00 H new ATOM 0 HE ARG A 56 7.694 5.042 17.801 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.124 5.070 16.943 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.252 3.308 16.930 1.00 0.00 H new ATOM 0 HH21 ARG A 56 7.873 2.778 17.774 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.423 2.019 17.398 1.00 0.00 H new ATOM 844 N ASN A 57 7.321 5.682 11.965 1.00 0.00 N ATOM 845 CA ASN A 57 6.151 5.570 11.130 1.00 0.00 C ATOM 846 C ASN A 57 5.983 4.152 10.727 1.00 0.00 C ATOM 847 O ASN A 57 6.628 3.665 9.820 1.00 0.00 O ATOM 848 CB ASN A 57 6.316 6.456 9.920 1.00 0.00 C ATOM 849 CG ASN A 57 5.497 7.727 10.056 1.00 0.00 C ATOM 850 OD1 ASN A 57 4.275 7.713 9.902 1.00 0.00 O ATOM 851 ND2 ASN A 57 6.164 8.826 10.378 1.00 0.00 N ATOM 0 H ASN A 57 7.924 4.859 11.972 1.00 0.00 H new ATOM 0 HA ASN A 57 5.262 5.890 11.674 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.368 6.710 9.792 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.008 5.915 9.025 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.665 9.706 10.508 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.177 8.792 10.496 1.00 0.00 H new ATOM 857 N ILE A 58 5.098 3.512 11.413 1.00 0.00 N ATOM 858 CA ILE A 58 4.835 2.144 11.233 1.00 0.00 C ATOM 859 C ILE A 58 3.722 1.925 10.322 1.00 0.00 C ATOM 860 O ILE A 58 2.763 2.693 10.236 1.00 0.00 O ATOM 861 CB ILE A 58 4.542 1.493 12.571 1.00 0.00 C ATOM 862 CG1 ILE A 58 3.878 0.120 12.362 1.00 0.00 C ATOM 863 CG2 ILE A 58 3.700 2.437 13.418 1.00 0.00 C ATOM 864 CD1 ILE A 58 3.421 -0.539 13.642 1.00 0.00 C ATOM 0 H ILE A 58 4.525 3.950 12.135 1.00 0.00 H new ATOM 0 HA ILE A 58 5.722 1.691 10.791 1.00 0.00 H new ATOM 0 HB ILE A 58 5.470 1.308 13.112 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.021 0.239 11.700 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.582 -0.540 11.856 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.488 1.971 14.380 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.245 3.367 13.577 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.763 2.649 12.904 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.964 -1.502 13.413 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.278 -0.691 14.299 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.691 0.100 14.140 1.00 0.00 H new ATOM 875 N ASP A 59 3.895 0.869 9.612 1.00 0.00 N ATOM 876 CA ASP A 59 2.954 0.512 8.654 1.00 0.00 C ATOM 877 C ASP A 59 3.036 -0.977 8.390 1.00 0.00 C ATOM 878 O ASP A 59 3.843 -1.447 7.590 1.00 0.00 O ATOM 879 CB ASP A 59 3.298 1.322 7.421 1.00 0.00 C ATOM 880 CG ASP A 59 2.144 1.444 6.446 1.00 0.00 C ATOM 881 OD1 ASP A 59 1.089 1.985 6.839 1.00 0.00 O ATOM 882 OD2 ASP A 59 2.295 0.998 5.289 1.00 0.00 O ATOM 0 H ASP A 59 4.695 0.240 9.690 1.00 0.00 H new ATOM 0 HA ASP A 59 1.932 0.716 8.973 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.615 2.319 7.726 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.145 0.859 6.915 1.00 0.00 H new ATOM 886 N VAL A 60 2.188 -1.701 9.076 1.00 0.00 N ATOM 887 CA VAL A 60 2.131 -3.146 8.944 1.00 0.00 C ATOM 888 C VAL A 60 0.691 -3.674 8.872 1.00 0.00 C ATOM 889 O VAL A 60 0.067 -3.962 9.892 1.00 0.00 O ATOM 890 CB VAL A 60 2.842 -3.818 10.145 1.00 0.00 C ATOM 891 CG1 VAL A 60 4.324 -3.489 10.146 1.00 0.00 C ATOM 892 CG2 VAL A 60 2.217 -3.385 11.465 1.00 0.00 C ATOM 0 H VAL A 60 1.518 -1.313 9.740 1.00 0.00 H new ATOM 0 HA VAL A 60 2.633 -3.394 8.009 1.00 0.00 H new ATOM 0 HB VAL A 60 2.719 -4.896 10.039 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.803 -3.971 10.998 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.777 -3.850 9.223 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.457 -2.410 10.218 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.736 -3.872 12.290 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.302 -2.303 11.571 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.165 -3.669 11.480 1.00 0.00 H new ATOM 902 N VAL A 61 0.218 -3.882 7.642 1.00 0.00 N ATOM 903 CA VAL A 61 -1.097 -4.459 7.370 1.00 0.00 C ATOM 904 C VAL A 61 -1.180 -4.891 5.902 1.00 0.00 C ATOM 905 O VAL A 61 -1.386 -4.066 5.013 1.00 0.00 O ATOM 906 CB VAL A 61 -2.275 -3.484 7.635 1.00 0.00 C ATOM 907 CG1 VAL A 61 -3.601 -4.178 7.359 1.00 0.00 C ATOM 908 CG2 VAL A 61 -2.264 -2.933 9.054 1.00 0.00 C ATOM 0 H VAL A 61 0.744 -3.652 6.799 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.195 -5.302 8.054 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.152 -2.640 6.957 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.421 -3.485 7.548 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.632 -4.502 6.319 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.701 -5.045 8.012 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.108 -2.256 9.188 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.342 -3.756 9.764 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.334 -2.392 9.227 1.00 0.00 H new ATOM 918 N PHE A 62 -1.003 -6.184 5.659 1.00 0.00 N ATOM 919 CA PHE A 62 -1.036 -6.741 4.329 1.00 0.00 C ATOM 920 C PHE A 62 -1.845 -8.010 4.235 1.00 0.00 C ATOM 921 O PHE A 62 -2.229 -8.623 5.230 1.00 0.00 O ATOM 922 CB PHE A 62 0.364 -7.007 3.811 1.00 0.00 C ATOM 923 CG PHE A 62 1.378 -7.527 4.808 1.00 0.00 C ATOM 924 CD1 PHE A 62 1.245 -7.418 6.182 1.00 0.00 C ATOM 925 CD2 PHE A 62 2.527 -8.068 4.321 1.00 0.00 C ATOM 926 CE1 PHE A 62 2.251 -7.849 7.012 1.00 0.00 C ATOM 927 CE2 PHE A 62 3.520 -8.513 5.132 1.00 0.00 C ATOM 928 CZ PHE A 62 3.387 -8.402 6.478 1.00 0.00 C ATOM 0 H PHE A 62 -0.832 -6.874 6.391 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.525 -5.988 3.711 1.00 0.00 H new ATOM 0 HB2 PHE A 62 0.292 -7.726 2.994 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.750 -6.080 3.387 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.346 -6.992 6.603 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.654 -8.146 3.251 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.148 -7.753 8.083 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.411 -8.953 4.709 1.00 0.00 H new ATOM 0 HZ PHE A 62 4.176 -8.749 7.129 1.00 0.00 H new ATOM 937 N GLU A 63 -2.107 -8.357 2.994 1.00 0.00 N ATOM 938 CA GLU A 63 -2.877 -9.511 2.630 1.00 0.00 C ATOM 939 C GLU A 63 -2.546 -9.842 1.230 1.00 0.00 C ATOM 940 O GLU A 63 -2.263 -8.951 0.441 1.00 0.00 O ATOM 941 CB GLU A 63 -4.362 -9.195 2.737 1.00 0.00 C ATOM 942 CG GLU A 63 -5.270 -10.417 2.673 1.00 0.00 C ATOM 943 CD GLU A 63 -4.935 -11.467 3.714 1.00 0.00 C ATOM 944 OE1 GLU A 63 -3.859 -12.091 3.604 1.00 0.00 O ATOM 945 OE2 GLU A 63 -5.749 -11.667 4.641 1.00 0.00 O ATOM 0 H GLU A 63 -1.777 -7.823 2.190 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.649 -10.347 3.292 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.543 -8.671 3.676 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.635 -8.512 1.933 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.304 -10.100 2.806 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.198 -10.863 1.681 1.00 0.00 H new ATOM 950 N LEU A 64 -2.637 -11.112 0.912 1.00 0.00 N ATOM 951 CA LEU A 64 -2.420 -11.557 -0.444 1.00 0.00 C ATOM 952 C LEU A 64 -3.247 -10.637 -1.320 1.00 0.00 C ATOM 953 O LEU A 64 -3.024 -10.482 -2.516 1.00 0.00 O ATOM 954 CB LEU A 64 -2.864 -12.998 -0.574 1.00 0.00 C ATOM 955 CG LEU A 64 -2.734 -13.609 -1.970 1.00 0.00 C ATOM 956 CD1 LEU A 64 -2.646 -15.125 -1.879 1.00 0.00 C ATOM 957 CD2 LEU A 64 -3.910 -13.209 -2.851 1.00 0.00 C ATOM 0 H LEU A 64 -2.860 -11.855 1.574 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.371 -11.518 -0.736 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.283 -13.602 0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.906 -13.067 -0.263 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.819 -13.226 -2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.554 -15.545 -2.881 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.774 -15.404 -1.287 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.547 -15.514 -1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.794 -13.656 -3.838 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.838 -13.560 -2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.941 -12.124 -2.946 1.00 0.00 H new ATOM 968 N GLY A 65 -4.162 -9.974 -0.628 1.00 0.00 N ATOM 969 CA GLY A 65 -5.025 -8.970 -1.195 1.00 0.00 C ATOM 970 C GLY A 65 -5.722 -8.275 -0.053 1.00 0.00 C ATOM 971 O GLY A 65 -6.645 -8.825 0.547 1.00 0.00 O ATOM 0 H GLY A 65 -4.322 -10.129 0.367 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -4.448 -8.256 -1.784 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.752 -9.425 -1.868 1.00 0.00 H new ATOM 975 N VAL A 66 -5.210 -7.110 0.316 1.00 0.00 N ATOM 976 CA VAL A 66 -5.715 -6.398 1.475 1.00 0.00 C ATOM 977 C VAL A 66 -6.721 -5.317 1.159 1.00 0.00 C ATOM 978 O VAL A 66 -7.079 -5.108 0.015 1.00 0.00 O ATOM 979 CB VAL A 66 -4.585 -5.820 2.364 1.00 0.00 C ATOM 980 CG1 VAL A 66 -4.416 -4.323 2.147 1.00 0.00 C ATOM 981 CG2 VAL A 66 -4.862 -6.113 3.832 1.00 0.00 C ATOM 0 H VAL A 66 -4.447 -6.640 -0.171 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.245 -7.169 2.035 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.653 -6.307 2.075 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.615 -3.951 2.786 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.165 -4.133 1.103 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.346 -3.812 2.396 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.059 -5.701 4.443 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.809 -5.658 4.122 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.916 -7.191 3.984 1.00 0.00 H new ATOM 991 N ASP A 67 -7.195 -4.697 2.243 1.00 0.00 N ATOM 992 CA ASP A 67 -8.184 -3.625 2.232 1.00 0.00 C ATOM 993 C ASP A 67 -7.786 -2.603 3.306 1.00 0.00 C ATOM 994 O ASP A 67 -7.362 -2.980 4.399 1.00 0.00 O ATOM 995 CB ASP A 67 -9.586 -4.176 2.508 1.00 0.00 C ATOM 996 CG ASP A 67 -10.657 -3.101 2.470 1.00 0.00 C ATOM 997 OD1 ASP A 67 -10.325 -1.935 2.171 1.00 0.00 O ATOM 998 OD2 ASP A 67 -11.834 -3.430 2.733 1.00 0.00 O ATOM 0 H ASP A 67 -6.887 -4.939 3.185 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.208 -3.151 1.251 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -9.822 -4.944 1.771 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.596 -4.659 3.485 1.00 0.00 H new ATOM 1002 N PHE A 68 -7.883 -1.317 2.978 1.00 0.00 N ATOM 1003 CA PHE A 68 -7.493 -0.241 3.887 1.00 0.00 C ATOM 1004 C PHE A 68 -8.550 0.829 3.961 1.00 0.00 C ATOM 1005 O PHE A 68 -9.399 0.933 3.091 1.00 0.00 O ATOM 1006 CB PHE A 68 -6.226 0.438 3.348 1.00 0.00 C ATOM 1007 CG PHE A 68 -4.919 -0.203 3.732 1.00 0.00 C ATOM 1008 CD1 PHE A 68 -4.872 -1.329 4.539 1.00 0.00 C ATOM 1009 CD2 PHE A 68 -3.728 0.321 3.255 1.00 0.00 C ATOM 1010 CE1 PHE A 68 -3.664 -1.916 4.861 1.00 0.00 C ATOM 1011 CE2 PHE A 68 -2.519 -0.262 3.577 1.00 0.00 C ATOM 1012 CZ PHE A 68 -2.487 -1.381 4.380 1.00 0.00 C ATOM 0 H PHE A 68 -8.233 -0.991 2.077 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.340 -0.685 4.871 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -6.288 0.467 2.260 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.216 1.472 3.694 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -5.790 -1.752 4.920 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.746 1.197 2.623 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.641 -2.794 5.489 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.599 0.159 3.200 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.542 -1.839 4.633 1.00 0.00 H new ATOM 1021 N ALA A 69 -8.455 1.678 4.961 1.00 0.00 N ATOM 1022 CA ALA A 69 -9.354 2.805 5.017 1.00 0.00 C ATOM 1023 C ALA A 69 -9.029 3.786 6.141 1.00 0.00 C ATOM 1024 O ALA A 69 -9.483 3.640 7.277 1.00 0.00 O ATOM 1025 CB ALA A 69 -10.801 2.351 5.062 1.00 0.00 C ATOM 0 H ALA A 69 -7.783 1.612 5.726 1.00 0.00 H new ATOM 0 HA ALA A 69 -9.204 3.362 4.092 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -11.455 3.222 5.104 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -11.028 1.770 4.168 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -10.962 1.734 5.946 1.00 0.00 H new ATOM 1031 N TYR A 70 -8.284 4.812 5.773 1.00 0.00 N ATOM 1032 CA TYR A 70 -7.900 5.893 6.645 1.00 0.00 C ATOM 1033 C TYR A 70 -7.220 6.958 5.819 1.00 0.00 C ATOM 1034 O TYR A 70 -6.719 6.672 4.747 1.00 0.00 O ATOM 1035 CB TYR A 70 -7.029 5.408 7.791 1.00 0.00 C ATOM 1036 CG TYR A 70 -5.772 4.654 7.420 1.00 0.00 C ATOM 1037 CD1 TYR A 70 -4.648 5.324 6.953 1.00 0.00 C ATOM 1038 CD2 TYR A 70 -5.695 3.277 7.580 1.00 0.00 C ATOM 1039 CE1 TYR A 70 -3.484 4.642 6.655 1.00 0.00 C ATOM 1040 CE2 TYR A 70 -4.537 2.587 7.278 1.00 0.00 C ATOM 1041 CZ TYR A 70 -3.434 3.273 6.819 1.00 0.00 C ATOM 1042 OH TYR A 70 -2.277 2.590 6.523 1.00 0.00 O ATOM 0 H TYR A 70 -7.920 4.914 4.826 1.00 0.00 H new ATOM 0 HA TYR A 70 -8.788 6.320 7.111 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -6.742 6.273 8.389 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -7.635 4.765 8.430 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -4.685 6.395 6.821 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -6.555 2.736 7.947 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.618 5.178 6.296 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.497 1.515 7.401 1.00 0.00 H new ATOM 0 HH TYR A 70 -2.408 1.634 6.694 1.00 0.00 H new ATOM 1051 N SER A 71 -7.196 8.188 6.273 1.00 0.00 N ATOM 1052 CA SER A 71 -6.572 9.195 5.464 1.00 0.00 C ATOM 1053 C SER A 71 -5.176 9.495 5.952 1.00 0.00 C ATOM 1054 O SER A 71 -4.972 10.209 6.935 1.00 0.00 O ATOM 1055 CB SER A 71 -7.423 10.452 5.413 1.00 0.00 C ATOM 1056 OG SER A 71 -6.805 11.474 4.658 1.00 0.00 O ATOM 0 H SER A 71 -7.585 8.504 7.162 1.00 0.00 H new ATOM 0 HA SER A 71 -6.489 8.809 4.448 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.394 10.216 4.978 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.606 10.809 6.427 1.00 0.00 H new ATOM 0 HG SER A 71 -7.274 12.321 4.809 1.00 0.00 H new ATOM 1061 N LEU A 72 -4.223 8.924 5.232 1.00 0.00 N ATOM 1062 CA LEU A 72 -2.803 9.090 5.538 1.00 0.00 C ATOM 1063 C LEU A 72 -2.475 10.548 5.865 1.00 0.00 C ATOM 1064 O LEU A 72 -1.682 10.828 6.765 1.00 0.00 O ATOM 1065 CB LEU A 72 -1.944 8.614 4.362 1.00 0.00 C ATOM 1066 CG LEU A 72 -1.725 7.101 4.293 1.00 0.00 C ATOM 1067 CD1 LEU A 72 -1.017 6.718 3.003 1.00 0.00 C ATOM 1068 CD2 LEU A 72 -0.921 6.630 5.497 1.00 0.00 C ATOM 0 H LEU A 72 -4.407 8.334 4.421 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.578 8.483 6.415 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.412 8.941 3.434 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.972 9.105 4.419 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.699 6.612 4.307 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.871 5.638 2.975 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.623 7.025 2.150 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.048 7.216 2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.772 5.552 5.436 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.047 7.130 5.506 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.462 6.870 6.412 1.00 0.00 H new ATOM 1079 N ALA A 73 -3.085 11.469 5.123 1.00 0.00 N ATOM 1080 CA ALA A 73 -2.856 12.898 5.326 1.00 0.00 C ATOM 1081 C ALA A 73 -3.670 13.451 6.496 1.00 0.00 C ATOM 1082 O ALA A 73 -3.109 14.005 7.443 1.00 0.00 O ATOM 1083 CB ALA A 73 -3.185 13.661 4.053 1.00 0.00 C ATOM 0 H ALA A 73 -3.743 11.251 4.374 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.802 13.031 5.572 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.012 14.725 4.212 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.549 13.307 3.242 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -4.231 13.498 3.791 1.00 0.00 H new ATOM 1089 N ASP A 74 -4.993 13.307 6.421 1.00 0.00 N ATOM 1090 CA ASP A 74 -5.885 13.803 7.470 1.00 0.00 C ATOM 1091 C ASP A 74 -7.324 13.353 7.225 1.00 0.00 C ATOM 1092 O ASP A 74 -7.790 13.323 6.087 1.00 0.00 O ATOM 1093 CB ASP A 74 -5.820 15.332 7.552 1.00 0.00 C ATOM 1094 CG ASP A 74 -6.135 16.009 6.231 1.00 0.00 C ATOM 1095 OD1 ASP A 74 -6.367 15.294 5.234 1.00 0.00 O ATOM 1096 OD2 ASP A 74 -6.145 17.257 6.193 1.00 0.00 O ATOM 0 H ASP A 74 -5.471 12.851 5.644 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.551 13.383 8.419 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.522 15.680 8.309 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.824 15.631 7.879 1.00 0.00 H new ATOM 1100 N GLY A 75 -8.022 12.994 8.300 1.00 0.00 N ATOM 1101 CA GLY A 75 -9.395 12.535 8.171 1.00 0.00 C ATOM 1102 C GLY A 75 -9.458 11.070 7.793 1.00 0.00 C ATOM 1103 O GLY A 75 -8.939 10.218 8.515 1.00 0.00 O ATOM 0 H GLY A 75 -7.663 13.013 9.255 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.922 12.692 9.112 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.909 13.129 7.415 1.00 0.00 H new ATOM 1107 N THR A 76 -10.070 10.769 6.650 1.00 0.00 N ATOM 1108 CA THR A 76 -10.163 9.389 6.185 1.00 0.00 C ATOM 1109 C THR A 76 -10.231 9.327 4.667 1.00 0.00 C ATOM 1110 O THR A 76 -11.130 9.885 4.037 1.00 0.00 O ATOM 1111 CB THR A 76 -11.381 8.663 6.785 1.00 0.00 C ATOM 1112 OG1 THR A 76 -11.425 8.871 8.202 1.00 0.00 O ATOM 1113 CG2 THR A 76 -11.320 7.171 6.497 1.00 0.00 C ATOM 0 H THR A 76 -10.505 11.456 6.034 1.00 0.00 H new ATOM 0 HA THR A 76 -9.260 8.882 6.524 1.00 0.00 H new ATOM 0 HB THR A 76 -12.280 9.072 6.325 1.00 0.00 H new ATOM 0 HG1 THR A 76 -12.203 8.408 8.577 1.00 0.00 H new ATOM 0 HG21 THR A 76 -12.191 6.681 6.931 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.312 7.009 5.419 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.413 6.753 6.934 1.00 0.00 H new ATOM 1121 N GLU A 77 -9.256 8.629 4.101 1.00 0.00 N ATOM 1122 CA GLU A 77 -9.151 8.451 2.660 1.00 0.00 C ATOM 1123 C GLU A 77 -8.168 7.341 2.374 1.00 0.00 C ATOM 1124 O GLU A 77 -6.953 7.537 2.318 1.00 0.00 O ATOM 1125 CB GLU A 77 -8.740 9.772 2.018 1.00 0.00 C ATOM 1126 CG GLU A 77 -7.275 10.131 2.156 1.00 0.00 C ATOM 1127 CD GLU A 77 -6.951 11.501 1.590 1.00 0.00 C ATOM 1128 OE1 GLU A 77 -7.546 12.494 2.059 1.00 0.00 O ATOM 1129 OE2 GLU A 77 -6.102 11.580 0.678 1.00 0.00 O ATOM 0 H GLU A 77 -8.514 8.170 4.629 1.00 0.00 H new ATOM 0 HA GLU A 77 -10.111 8.164 2.231 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.990 9.735 0.958 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.336 10.572 2.458 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.996 10.103 3.209 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.672 9.380 1.646 1.00 0.00 H new ATOM 1134 N LEU A 78 -8.714 6.156 2.203 1.00 0.00 N ATOM 1135 CA LEU A 78 -7.909 5.006 1.931 1.00 0.00 C ATOM 1136 C LEU A 78 -8.731 3.765 1.622 1.00 0.00 C ATOM 1137 O LEU A 78 -9.948 3.717 1.759 1.00 0.00 O ATOM 1138 CB LEU A 78 -6.918 4.747 3.052 1.00 0.00 C ATOM 1139 CG LEU A 78 -5.900 3.659 2.806 1.00 0.00 C ATOM 1140 CD1 LEU A 78 -5.093 3.941 1.548 1.00 0.00 C ATOM 1141 CD2 LEU A 78 -4.983 3.509 4.000 1.00 0.00 C ATOM 0 H LEU A 78 -9.716 5.973 2.250 1.00 0.00 H new ATOM 0 HA LEU A 78 -7.346 5.234 1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.384 5.675 3.258 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.478 4.495 3.952 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.437 2.722 2.661 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.367 3.142 1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.763 3.993 0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.569 4.891 1.657 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.256 2.720 3.804 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.460 4.449 4.177 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.571 3.250 4.880 1.00 0.00 H new ATOM 1152 N THR A 79 -7.994 2.794 1.180 1.00 0.00 N ATOM 1153 CA THR A 79 -8.437 1.499 0.768 1.00 0.00 C ATOM 1154 C THR A 79 -7.204 0.703 0.647 1.00 0.00 C ATOM 1155 O THR A 79 -6.114 1.264 0.765 1.00 0.00 O ATOM 1156 CB THR A 79 -9.160 1.561 -0.537 1.00 0.00 C ATOM 1157 OG1 THR A 79 -8.471 2.509 -1.328 1.00 0.00 O ATOM 1158 CG2 THR A 79 -10.575 1.979 -0.303 1.00 0.00 C ATOM 0 H THR A 79 -6.983 2.896 1.091 1.00 0.00 H new ATOM 0 HA THR A 79 -9.142 1.066 1.478 1.00 0.00 H new ATOM 0 HB THR A 79 -9.186 0.594 -1.039 1.00 0.00 H new ATOM 0 HG1 THR A 79 -7.516 2.484 -1.111 1.00 0.00 H new ATOM 0 HG21 THR A 79 -11.103 2.024 -1.255 1.00 0.00 H new ATOM 0 HG22 THR A 79 -11.065 1.256 0.349 1.00 0.00 H new ATOM 0 HG23 THR A 79 -10.591 2.962 0.168 1.00 0.00 H new ATOM 1166 N GLY A 80 -7.299 -0.569 0.417 1.00 0.00 N ATOM 1167 CA GLY A 80 -6.080 -1.282 0.306 1.00 0.00 C ATOM 1168 C GLY A 80 -6.177 -2.580 -0.408 1.00 0.00 C ATOM 1169 O GLY A 80 -7.248 -3.156 -0.511 1.00 0.00 O ATOM 0 H GLY A 80 -8.160 -1.106 0.308 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.354 -0.654 -0.210 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.690 -1.463 1.307 1.00 0.00 H new ATOM 1173 N THR A 81 -5.014 -3.034 -0.840 1.00 0.00 N ATOM 1174 CA THR A 81 -4.813 -4.310 -1.462 1.00 0.00 C ATOM 1175 C THR A 81 -3.357 -4.478 -1.696 1.00 0.00 C ATOM 1176 O THR A 81 -2.644 -3.534 -2.033 1.00 0.00 O ATOM 1177 CB THR A 81 -5.474 -4.581 -2.790 1.00 0.00 C ATOM 1178 OG1 THR A 81 -6.779 -4.034 -2.833 1.00 0.00 O ATOM 1179 CG2 THR A 81 -5.573 -6.076 -3.031 1.00 0.00 C ATOM 0 H THR A 81 -4.153 -2.493 -0.759 1.00 0.00 H new ATOM 0 HA THR A 81 -5.280 -5.002 -0.761 1.00 0.00 H new ATOM 0 HB THR A 81 -4.862 -4.114 -3.561 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.784 -3.244 -3.413 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.052 -6.259 -3.993 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.574 -6.511 -3.035 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.165 -6.534 -2.238 1.00 0.00 H new ATOM 1187 N TRP A 82 -2.945 -5.678 -1.565 1.00 0.00 N ATOM 1188 CA TRP A 82 -1.581 -6.052 -1.800 1.00 0.00 C ATOM 1189 C TRP A 82 -1.577 -7.450 -2.384 1.00 0.00 C ATOM 1190 O TRP A 82 -1.790 -8.415 -1.673 1.00 0.00 O ATOM 1191 CB TRP A 82 -0.795 -5.957 -0.489 1.00 0.00 C ATOM 1192 CG TRP A 82 -0.783 -4.544 -0.054 1.00 0.00 C ATOM 1193 CD1 TRP A 82 -1.755 -3.885 0.619 1.00 0.00 C ATOM 1194 CD2 TRP A 82 0.199 -3.597 -0.385 1.00 0.00 C ATOM 1195 NE1 TRP A 82 -1.458 -2.556 0.700 1.00 0.00 N ATOM 1196 CE2 TRP A 82 -0.231 -2.349 0.102 1.00 0.00 C ATOM 1197 CE3 TRP A 82 1.407 -3.696 -1.048 1.00 0.00 C ATOM 1198 CZ2 TRP A 82 0.526 -1.191 -0.080 1.00 0.00 C ATOM 1199 CZ3 TRP A 82 2.154 -2.570 -1.226 1.00 0.00 C ATOM 1200 CH2 TRP A 82 1.721 -1.331 -0.752 1.00 0.00 C ATOM 0 H TRP A 82 -3.546 -6.453 -1.287 1.00 0.00 H new ATOM 0 HA TRP A 82 -1.094 -5.382 -2.509 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -1.254 -6.585 0.275 1.00 0.00 H new ATOM 0 HB3 TRP A 82 0.223 -6.319 -0.630 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -2.640 -4.346 1.033 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -2.042 -1.838 1.129 1.00 0.00 H new ATOM 0 HE3 TRP A 82 1.753 -4.649 -1.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 0.192 -0.232 0.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 3.099 -2.638 -1.744 1.00 0.00 H new ATOM 0 HH2 TRP A 82 2.338 -0.460 -0.916 1.00 0.00 H new ATOM 1210 N THR A 83 -1.391 -7.566 -3.691 1.00 0.00 N ATOM 1211 CA THR A 83 -1.451 -8.881 -4.302 1.00 0.00 C ATOM 1212 C THR A 83 -0.244 -9.199 -5.148 1.00 0.00 C ATOM 1213 O THR A 83 -0.131 -8.777 -6.283 1.00 0.00 O ATOM 1214 CB THR A 83 -2.716 -9.000 -5.172 1.00 0.00 C ATOM 1215 OG1 THR A 83 -3.812 -8.309 -4.545 1.00 0.00 O ATOM 1216 CG2 THR A 83 -3.083 -10.458 -5.397 1.00 0.00 C ATOM 0 H THR A 83 -1.203 -6.793 -4.329 1.00 0.00 H new ATOM 0 HA THR A 83 -1.475 -9.599 -3.482 1.00 0.00 H new ATOM 0 HB THR A 83 -2.510 -8.544 -6.140 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.612 -8.388 -5.105 1.00 0.00 H new ATOM 0 HG21 THR A 83 -3.980 -10.516 -6.014 1.00 0.00 H new ATOM 0 HG22 THR A 83 -2.261 -10.966 -5.902 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.272 -10.938 -4.437 1.00 0.00 H new ATOM 1224 N MET A 84 0.648 -9.967 -4.582 1.00 0.00 N ATOM 1225 CA MET A 84 1.857 -10.334 -5.269 1.00 0.00 C ATOM 1226 C MET A 84 2.508 -11.560 -4.674 1.00 0.00 C ATOM 1227 O MET A 84 2.128 -12.059 -3.614 1.00 0.00 O ATOM 1228 CB MET A 84 2.834 -9.176 -5.260 1.00 0.00 C ATOM 1229 CG MET A 84 2.699 -8.277 -4.069 1.00 0.00 C ATOM 1230 SD MET A 84 2.359 -9.171 -2.540 1.00 0.00 S ATOM 1231 CE MET A 84 1.834 -7.832 -1.483 1.00 0.00 C ATOM 0 H MET A 84 0.559 -10.352 -3.642 1.00 0.00 H new ATOM 0 HA MET A 84 1.582 -10.577 -6.295 1.00 0.00 H new ATOM 0 HB2 MET A 84 3.850 -9.570 -5.292 1.00 0.00 H new ATOM 0 HB3 MET A 84 2.692 -8.587 -6.166 1.00 0.00 H new ATOM 0 HG2 MET A 84 3.617 -7.702 -3.950 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.897 -7.562 -4.251 1.00 0.00 H new ATOM 0 HE1 MET A 84 2.076 -8.070 -0.447 1.00 0.00 H new ATOM 0 HE2 MET A 84 2.347 -6.916 -1.774 1.00 0.00 H new ATOM 0 HE3 MET A 84 0.758 -7.692 -1.581 1.00 0.00 H new ATOM 1239 N GLU A 85 3.511 -12.004 -5.382 1.00 0.00 N ATOM 1240 CA GLU A 85 4.312 -13.144 -5.015 1.00 0.00 C ATOM 1241 C GLU A 85 5.524 -12.595 -4.295 1.00 0.00 C ATOM 1242 O GLU A 85 5.642 -11.378 -4.171 1.00 0.00 O ATOM 1243 CB GLU A 85 4.717 -13.926 -6.262 1.00 0.00 C ATOM 1244 CG GLU A 85 3.560 -14.654 -6.928 1.00 0.00 C ATOM 1245 CD GLU A 85 3.991 -15.428 -8.158 1.00 0.00 C ATOM 1246 OE1 GLU A 85 4.846 -16.328 -8.024 1.00 0.00 O ATOM 1247 OE2 GLU A 85 3.470 -15.137 -9.256 1.00 0.00 O ATOM 0 H GLU A 85 3.804 -11.570 -6.257 1.00 0.00 H new ATOM 0 HA GLU A 85 3.763 -13.834 -4.374 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.165 -13.240 -6.981 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.484 -14.652 -5.992 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.106 -15.339 -6.212 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.793 -13.931 -7.208 1.00 0.00 H new ATOM 1252 N GLY A 86 6.400 -13.434 -3.771 1.00 0.00 N ATOM 1253 CA GLY A 86 7.503 -12.863 -3.040 1.00 0.00 C ATOM 1254 C GLY A 86 8.664 -12.573 -3.945 1.00 0.00 C ATOM 1255 O GLY A 86 9.436 -13.453 -4.327 1.00 0.00 O ATOM 0 H GLY A 86 6.372 -14.452 -3.833 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.181 -11.943 -2.551 1.00 0.00 H new ATOM 0 HA3 GLY A 86 7.815 -13.550 -2.253 1.00 0.00 H new ATOM 1259 N ASN A 87 8.729 -11.279 -4.278 1.00 0.00 N ATOM 1260 CA ASN A 87 9.726 -10.690 -5.157 1.00 0.00 C ATOM 1261 C ASN A 87 9.126 -9.450 -5.826 1.00 0.00 C ATOM 1262 O ASN A 87 9.777 -8.810 -6.653 1.00 0.00 O ATOM 1263 CB ASN A 87 10.184 -11.678 -6.240 1.00 0.00 C ATOM 1264 CG ASN A 87 11.303 -11.121 -7.100 1.00 0.00 C ATOM 1265 OD1 ASN A 87 12.380 -10.792 -6.602 1.00 0.00 O ATOM 1266 ND2 ASN A 87 11.053 -11.011 -8.401 1.00 0.00 N ATOM 0 H ASN A 87 8.060 -10.594 -3.926 1.00 0.00 H new ATOM 0 HA ASN A 87 10.596 -10.423 -4.557 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.519 -12.601 -5.767 1.00 0.00 H new ATOM 0 HB3 ASN A 87 9.336 -11.935 -6.875 1.00 0.00 H new ATOM 0 HD21 ASN A 87 11.768 -10.642 -9.028 1.00 0.00 H new ATOM 0 HD22 ASN A 87 10.146 -11.296 -8.772 1.00 0.00 H new ATOM 1272 N LYS A 88 7.865 -9.120 -5.485 1.00 0.00 N ATOM 1273 CA LYS A 88 7.203 -7.968 -6.093 1.00 0.00 C ATOM 1274 C LYS A 88 5.943 -7.529 -5.337 1.00 0.00 C ATOM 1275 O LYS A 88 5.433 -8.238 -4.477 1.00 0.00 O ATOM 1276 CB LYS A 88 6.803 -8.275 -7.536 1.00 0.00 C ATOM 1277 CG LYS A 88 5.378 -8.818 -7.687 1.00 0.00 C ATOM 1278 CD LYS A 88 5.151 -10.087 -6.896 1.00 0.00 C ATOM 1279 CE LYS A 88 6.289 -11.088 -7.067 1.00 0.00 C ATOM 1280 NZ LYS A 88 6.490 -11.471 -8.491 1.00 0.00 N ATOM 0 H LYS A 88 7.300 -9.628 -4.805 1.00 0.00 H new ATOM 0 HA LYS A 88 7.930 -7.157 -6.053 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.899 -7.366 -8.130 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.503 -9.001 -7.949 1.00 0.00 H new ATOM 0 HG2 LYS A 88 4.668 -8.059 -7.360 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.176 -9.010 -8.741 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.043 -9.840 -5.840 1.00 0.00 H new ATOM 0 HD3 LYS A 88 4.215 -10.547 -7.213 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.211 -10.659 -6.674 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.077 -11.981 -6.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.693 -12.489 -8.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.629 -11.257 -9.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.289 -10.935 -8.885 1.00 0.00 H new ATOM 1290 N LEU A 89 5.484 -6.339 -5.708 1.00 0.00 N ATOM 1291 CA LEU A 89 4.283 -5.682 -5.158 1.00 0.00 C ATOM 1292 C LEU A 89 3.213 -5.437 -6.206 1.00 0.00 C ATOM 1293 O LEU A 89 3.490 -4.831 -7.242 1.00 0.00 O ATOM 1294 CB LEU A 89 4.597 -4.266 -4.646 1.00 0.00 C ATOM 1295 CG LEU A 89 5.087 -4.119 -3.231 1.00 0.00 C ATOM 1296 CD1 LEU A 89 5.054 -2.650 -2.832 1.00 0.00 C ATOM 1297 CD2 LEU A 89 4.285 -4.996 -2.280 1.00 0.00 C ATOM 0 H LEU A 89 5.947 -5.778 -6.424 1.00 0.00 H new ATOM 0 HA LEU A 89 3.948 -6.364 -4.376 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.347 -3.831 -5.306 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.694 -3.665 -4.751 1.00 0.00 H new ATOM 0 HG LEU A 89 6.119 -4.463 -3.168 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.409 -2.543 -1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.697 -2.077 -3.500 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.032 -2.277 -2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.661 -4.870 -1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 89 3.235 -4.707 -2.317 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.385 -6.040 -2.577 1.00 0.00 H new ATOM 1308 N VAL A 90 1.969 -5.778 -5.887 1.00 0.00 N ATOM 1309 CA VAL A 90 0.877 -5.439 -6.771 1.00 0.00 C ATOM 1310 C VAL A 90 -0.442 -5.682 -6.073 1.00 0.00 C ATOM 1311 O VAL A 90 -0.949 -6.778 -6.019 1.00 0.00 O ATOM 1312 CB VAL A 90 0.956 -6.139 -8.143 1.00 0.00 C ATOM 1313 CG1 VAL A 90 1.399 -7.584 -8.011 1.00 0.00 C ATOM 1314 CG2 VAL A 90 -0.377 -6.036 -8.868 1.00 0.00 C ATOM 0 H VAL A 90 1.702 -6.279 -5.039 1.00 0.00 H new ATOM 0 HA VAL A 90 0.959 -4.377 -7.001 1.00 0.00 H new ATOM 0 HB VAL A 90 1.712 -5.626 -8.738 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.442 -8.043 -8.999 1.00 0.00 H new ATOM 0 HG12 VAL A 90 2.386 -7.621 -7.550 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.687 -8.127 -7.389 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.305 -6.535 -9.835 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.154 -6.513 -8.271 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.629 -4.986 -9.019 1.00 0.00 H new ATOM 1324 N GLY A 91 -0.975 -4.613 -5.537 1.00 0.00 N ATOM 1325 CA GLY A 91 -2.214 -4.661 -4.792 1.00 0.00 C ATOM 1326 C GLY A 91 -2.770 -3.302 -4.668 1.00 0.00 C ATOM 1327 O GLY A 91 -2.006 -2.358 -4.526 1.00 0.00 O ATOM 0 H GLY A 91 -0.564 -3.682 -5.603 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.928 -5.312 -5.296 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.039 -5.085 -3.803 1.00 0.00 H new ATOM 1331 N LYS A 92 -4.077 -3.143 -4.805 1.00 0.00 N ATOM 1332 CA LYS A 92 -4.555 -1.805 -4.827 1.00 0.00 C ATOM 1333 C LYS A 92 -5.947 -1.535 -4.346 1.00 0.00 C ATOM 1334 O LYS A 92 -6.773 -2.409 -4.165 1.00 0.00 O ATOM 1335 CB LYS A 92 -4.375 -1.410 -6.233 1.00 0.00 C ATOM 1336 CG LYS A 92 -5.336 -0.358 -6.775 1.00 0.00 C ATOM 1337 CD LYS A 92 -5.599 -0.474 -8.285 1.00 0.00 C ATOM 1338 CE LYS A 92 -4.352 -0.628 -9.143 1.00 0.00 C ATOM 1339 NZ LYS A 92 -3.619 -1.882 -8.878 1.00 0.00 N ATOM 0 H LYS A 92 -4.773 -3.883 -4.896 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.997 -1.221 -4.094 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.358 -1.037 -6.355 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.463 -2.303 -6.852 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -6.284 -0.438 -6.244 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -4.934 0.632 -6.561 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -6.251 -1.330 -8.461 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.141 0.413 -8.614 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -4.635 -0.595 -10.195 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -3.689 0.218 -8.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -3.054 -2.137 -9.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -2.990 -1.750 -8.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -4.297 -2.644 -8.674 1.00 0.00 H new ATOM 1349 N PHE A 93 -6.129 -0.272 -4.047 1.00 0.00 N ATOM 1350 CA PHE A 93 -7.323 0.198 -3.436 1.00 0.00 C ATOM 1351 C PHE A 93 -7.785 1.558 -3.834 1.00 0.00 C ATOM 1352 O PHE A 93 -6.984 2.433 -4.152 1.00 0.00 O ATOM 1353 CB PHE A 93 -6.920 0.321 -2.045 1.00 0.00 C ATOM 1354 CG PHE A 93 -5.566 0.962 -1.885 1.00 0.00 C ATOM 1355 CD1 PHE A 93 -4.422 0.187 -1.900 1.00 0.00 C ATOM 1356 CD2 PHE A 93 -5.450 2.323 -1.695 1.00 0.00 C ATOM 1357 CE1 PHE A 93 -3.183 0.756 -1.724 1.00 0.00 C ATOM 1358 CE2 PHE A 93 -4.212 2.903 -1.510 1.00 0.00 C ATOM 1359 CZ PHE A 93 -3.076 2.116 -1.522 1.00 0.00 C ATOM 0 H PHE A 93 -5.438 0.457 -4.228 1.00 0.00 H new ATOM 0 HA PHE A 93 -8.139 -0.475 -3.699 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -7.662 0.911 -1.507 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -6.905 -0.668 -1.587 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.502 -0.879 -2.052 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -6.336 2.940 -1.691 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -2.296 0.140 -1.744 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -4.131 3.969 -1.356 1.00 0.00 H new ATOM 0 HZ PHE A 93 -2.105 2.566 -1.373 1.00 0.00 H new ATOM 1368 N LYS A 94 -9.093 1.754 -3.721 1.00 0.00 N ATOM 1369 CA LYS A 94 -9.661 3.040 -3.996 1.00 0.00 C ATOM 1370 C LYS A 94 -10.149 3.725 -2.722 1.00 0.00 C ATOM 1371 O LYS A 94 -11.212 3.440 -2.202 1.00 0.00 O ATOM 1372 CB LYS A 94 -10.747 2.931 -5.028 1.00 0.00 C ATOM 1373 CG LYS A 94 -12.058 2.523 -4.477 1.00 0.00 C ATOM 1374 CD LYS A 94 -11.958 1.235 -3.663 1.00 0.00 C ATOM 1375 CE LYS A 94 -13.147 1.053 -2.735 1.00 0.00 C ATOM 1376 NZ LYS A 94 -12.879 0.018 -1.696 1.00 0.00 N ATOM 0 H LYS A 94 -9.764 1.038 -3.443 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.876 3.674 -4.408 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.858 3.893 -5.528 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -10.443 2.210 -5.787 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -12.451 3.321 -3.847 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -12.767 2.383 -5.293 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -11.893 0.383 -4.340 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -11.039 1.247 -3.077 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -13.381 2.002 -2.252 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -14.023 0.767 -3.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.682 -0.641 -1.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.016 -0.507 -1.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -12.752 0.478 -0.772 1.00 0.00 H new ATOM 1386 N ARG A 95 -9.297 4.614 -2.246 1.00 0.00 N ATOM 1387 CA ARG A 95 -9.442 5.391 -1.005 1.00 0.00 C ATOM 1388 C ARG A 95 -10.819 5.500 -0.344 1.00 0.00 C ATOM 1389 O ARG A 95 -11.812 4.890 -0.724 1.00 0.00 O ATOM 1390 CB ARG A 95 -9.006 6.800 -1.260 1.00 0.00 C ATOM 1391 CG ARG A 95 -10.101 7.665 -1.834 1.00 0.00 C ATOM 1392 CD ARG A 95 -9.792 9.121 -1.600 1.00 0.00 C ATOM 1393 NE ARG A 95 -8.487 9.530 -2.134 1.00 0.00 N ATOM 1394 CZ ARG A 95 -7.319 9.310 -1.529 1.00 0.00 C ATOM 1395 NH1 ARG A 95 -7.274 8.719 -0.342 1.00 0.00 N ATOM 1396 NH2 ARG A 95 -6.191 9.695 -2.110 1.00 0.00 N ATOM 0 H ARG A 95 -8.430 4.834 -2.736 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.834 4.812 -0.310 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.656 7.240 -0.326 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -8.159 6.793 -1.946 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -10.202 7.475 -2.902 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -11.055 7.410 -1.373 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -10.572 9.729 -2.059 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.819 9.324 -0.529 1.00 0.00 H new ATOM 0 HE ARG A 95 -8.473 10.016 -3.030 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -8.138 8.428 0.116 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -6.376 8.555 0.112 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -6.218 10.159 -3.018 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -5.297 9.528 -1.649 1.00 0.00 H new ATOM 1407 N VAL A 96 -10.823 6.375 0.672 1.00 0.00 N ATOM 1408 CA VAL A 96 -12.028 6.685 1.444 1.00 0.00 C ATOM 1409 C VAL A 96 -12.569 8.063 1.106 1.00 0.00 C ATOM 1410 O VAL A 96 -13.785 8.264 1.138 1.00 0.00 O ATOM 1411 CB VAL A 96 -11.814 6.685 2.978 1.00 0.00 C ATOM 1412 CG1 VAL A 96 -13.126 6.963 3.696 1.00 0.00 C ATOM 1413 CG2 VAL A 96 -11.215 5.386 3.471 1.00 0.00 C ATOM 0 H VAL A 96 -9.994 6.884 0.978 1.00 0.00 H new ATOM 0 HA VAL A 96 -12.720 5.889 1.169 1.00 0.00 H new ATOM 0 HB VAL A 96 -11.103 7.480 3.204 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.959 6.960 4.773 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -13.508 7.937 3.391 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -13.852 6.192 3.439 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -11.083 5.433 4.552 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.882 4.560 3.222 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -10.248 5.227 2.994 1.00 0.00 H new ATOM 1423 N ASP A 97 -11.684 9.029 0.799 1.00 0.00 N ATOM 1424 CA ASP A 97 -12.175 10.376 0.488 1.00 0.00 C ATOM 1425 C ASP A 97 -13.285 10.204 -0.511 1.00 0.00 C ATOM 1426 O ASP A 97 -14.308 10.889 -0.478 1.00 0.00 O ATOM 1427 CB ASP A 97 -11.091 11.293 -0.077 1.00 0.00 C ATOM 1428 CG ASP A 97 -11.436 12.762 0.072 1.00 0.00 C ATOM 1429 OD1 ASP A 97 -11.599 13.220 1.222 1.00 0.00 O ATOM 1430 OD2 ASP A 97 -11.543 13.454 -0.963 1.00 0.00 O ATOM 0 H ASP A 97 -10.672 8.909 0.761 1.00 0.00 H new ATOM 0 HA ASP A 97 -12.516 10.858 1.404 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -10.148 11.091 0.431 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -10.940 11.064 -1.132 1.00 0.00 H new ATOM 1434 N ASN A 98 -13.077 9.213 -1.359 1.00 0.00 N ATOM 1435 CA ASN A 98 -14.049 8.832 -2.350 1.00 0.00 C ATOM 1436 C ASN A 98 -13.732 7.413 -2.758 1.00 0.00 C ATOM 1437 O ASN A 98 -14.128 6.457 -2.090 1.00 0.00 O ATOM 1438 CB ASN A 98 -14.017 9.780 -3.551 1.00 0.00 C ATOM 1439 CG ASN A 98 -15.105 9.487 -4.571 1.00 0.00 C ATOM 1440 OD1 ASN A 98 -15.972 8.524 -4.274 1.00 0.00 O flip ATOM 1441 ND2 ASN A 98 -15.170 10.131 -5.619 1.00 0.00 N flip ATOM 0 H ASN A 98 -12.225 8.653 -1.374 1.00 0.00 H new ATOM 0 HA ASN A 98 -15.058 8.894 -1.942 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -14.124 10.806 -3.199 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -13.044 9.709 -4.036 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -14.486 10.863 -5.811 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -15.908 9.933 -6.295 1.00 0.00 H new ATOM 1447 N GLY A 99 -12.974 7.284 -3.821 1.00 0.00 N ATOM 1448 CA GLY A 99 -12.560 5.982 -4.267 1.00 0.00 C ATOM 1449 C GLY A 99 -11.525 6.076 -5.343 1.00 0.00 C ATOM 1450 O GLY A 99 -11.844 6.368 -6.496 1.00 0.00 O ATOM 0 H GLY A 99 -12.635 8.061 -4.388 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.161 5.417 -3.425 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -13.424 5.431 -4.639 1.00 0.00 H new ATOM 1454 N LYS A 100 -10.286 5.813 -4.984 1.00 0.00 N ATOM 1455 CA LYS A 100 -9.216 5.863 -5.984 1.00 0.00 C ATOM 1456 C LYS A 100 -8.340 4.628 -5.906 1.00 0.00 C ATOM 1457 O LYS A 100 -7.423 4.561 -5.090 1.00 0.00 O ATOM 1458 CB LYS A 100 -8.320 7.079 -5.769 1.00 0.00 C ATOM 1459 CG LYS A 100 -8.851 8.147 -4.817 1.00 0.00 C ATOM 1460 CD LYS A 100 -10.088 8.865 -5.331 1.00 0.00 C ATOM 1461 CE LYS A 100 -10.380 10.109 -4.503 1.00 0.00 C ATOM 1462 NZ LYS A 100 -11.601 10.817 -4.975 1.00 0.00 N ATOM 0 H LYS A 100 -9.990 5.568 -4.039 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.701 5.921 -6.959 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.357 6.733 -5.393 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -8.136 7.544 -6.737 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -9.083 7.683 -3.858 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.066 8.881 -4.634 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -9.944 9.144 -6.375 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -10.944 8.192 -5.297 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -10.505 9.828 -3.457 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.527 10.786 -4.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -12.054 11.299 -4.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -11.339 11.518 -5.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -12.264 10.129 -5.385 1.00 0.00 H new ATOM 1472 N GLU A 101 -8.636 3.650 -6.757 1.00 0.00 N ATOM 1473 CA GLU A 101 -7.893 2.396 -6.774 1.00 0.00 C ATOM 1474 C GLU A 101 -6.948 2.311 -7.958 1.00 0.00 C ATOM 1475 O GLU A 101 -7.353 2.042 -9.081 1.00 0.00 O ATOM 1476 CB GLU A 101 -8.846 1.170 -6.727 1.00 0.00 C ATOM 1477 CG GLU A 101 -9.144 0.530 -8.065 1.00 0.00 C ATOM 1478 CD GLU A 101 -10.246 -0.512 -7.991 1.00 0.00 C ATOM 1479 OE1 GLU A 101 -10.782 -0.735 -6.885 1.00 0.00 O ATOM 1480 OE2 GLU A 101 -10.572 -1.104 -9.041 1.00 0.00 O ATOM 0 H GLU A 101 -9.387 3.703 -7.445 1.00 0.00 H new ATOM 0 HA GLU A 101 -7.282 2.378 -5.872 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.409 0.416 -6.072 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.787 1.480 -6.273 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -9.431 1.304 -8.776 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -8.236 0.065 -8.449 1.00 0.00 H new ATOM 1485 N LEU A 102 -5.671 2.480 -7.655 1.00 0.00 N ATOM 1486 CA LEU A 102 -4.590 2.360 -8.611 1.00 0.00 C ATOM 1487 C LEU A 102 -3.294 2.383 -7.864 1.00 0.00 C ATOM 1488 O LEU A 102 -2.740 3.418 -7.612 1.00 0.00 O ATOM 1489 CB LEU A 102 -4.622 3.459 -9.662 1.00 0.00 C ATOM 1490 CG LEU A 102 -5.687 3.291 -10.740 1.00 0.00 C ATOM 1491 CD1 LEU A 102 -5.441 4.254 -11.892 1.00 0.00 C ATOM 1492 CD2 LEU A 102 -5.724 1.840 -11.234 1.00 0.00 C ATOM 0 H LEU A 102 -5.353 2.710 -6.713 1.00 0.00 H new ATOM 0 HA LEU A 102 -4.703 1.418 -9.148 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.781 4.414 -9.162 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -3.645 3.509 -10.143 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.659 3.527 -10.307 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.212 4.118 -12.651 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.472 5.279 -11.522 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -4.462 4.056 -12.329 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -6.489 1.737 -12.003 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -4.753 1.573 -11.650 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -5.956 1.178 -10.400 1.00 0.00 H new ATOM 1503 N ILE A 103 -2.807 1.231 -7.514 1.00 0.00 N ATOM 1504 CA ILE A 103 -1.562 1.163 -6.782 1.00 0.00 C ATOM 1505 C ILE A 103 -0.993 -0.232 -6.771 1.00 0.00 C ATOM 1506 O ILE A 103 -1.543 -1.113 -6.146 1.00 0.00 O ATOM 1507 CB ILE A 103 -1.785 1.614 -5.323 1.00 0.00 C ATOM 1508 CG1 ILE A 103 -1.532 3.116 -5.185 1.00 0.00 C ATOM 1509 CG2 ILE A 103 -0.911 0.826 -4.354 1.00 0.00 C ATOM 1510 CD1 ILE A 103 -1.700 3.634 -3.783 1.00 0.00 C ATOM 0 H ILE A 103 -3.241 0.330 -7.717 1.00 0.00 H new ATOM 0 HA ILE A 103 -0.855 1.823 -7.284 1.00 0.00 H new ATOM 0 HB ILE A 103 -2.824 1.411 -5.065 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.520 3.337 -5.525 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.215 3.652 -5.845 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -1.094 1.170 -3.336 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -1.152 -0.235 -4.427 1.00 0.00 H new ATOM 0 HG23 ILE A 103 0.139 0.978 -4.605 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -1.504 4.706 -3.765 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -2.719 3.446 -3.445 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -0.999 3.126 -3.121 1.00 0.00 H new ATOM 1521 N ALA A 104 0.115 -0.440 -7.436 1.00 0.00 N ATOM 1522 CA ALA A 104 0.723 -1.750 -7.420 1.00 0.00 C ATOM 1523 C ALA A 104 2.064 -1.739 -8.103 1.00 0.00 C ATOM 1524 O ALA A 104 2.139 -1.623 -9.324 1.00 0.00 O ATOM 1525 CB ALA A 104 -0.216 -2.764 -8.005 1.00 0.00 C ATOM 0 H ALA A 104 0.608 0.264 -7.986 1.00 0.00 H new ATOM 0 HA ALA A 104 0.911 -2.039 -6.386 1.00 0.00 H new ATOM 0 HB1 ALA A 104 0.254 -3.747 -7.987 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -1.135 -2.790 -7.419 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.450 -2.492 -9.034 1.00 0.00 H new ATOM 1531 N VAL A 105 3.125 -1.863 -7.319 1.00 0.00 N ATOM 1532 CA VAL A 105 4.464 -1.862 -7.901 1.00 0.00 C ATOM 1533 C VAL A 105 5.566 -2.284 -6.957 1.00 0.00 C ATOM 1534 O VAL A 105 5.663 -1.821 -5.819 1.00 0.00 O ATOM 1535 CB VAL A 105 4.841 -0.483 -8.523 1.00 0.00 C ATOM 1536 CG1 VAL A 105 6.295 -0.087 -8.204 1.00 0.00 C ATOM 1537 CG2 VAL A 105 4.648 -0.542 -10.030 1.00 0.00 C ATOM 0 H VAL A 105 3.092 -1.963 -6.304 1.00 0.00 H new ATOM 0 HA VAL A 105 4.396 -2.619 -8.683 1.00 0.00 H new ATOM 0 HB VAL A 105 4.188 0.273 -8.086 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.516 0.880 -8.656 1.00 0.00 H new ATOM 0 HG12 VAL A 105 6.425 -0.021 -7.124 1.00 0.00 H new ATOM 0 HG13 VAL A 105 6.974 -0.839 -8.606 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.911 0.421 -10.468 1.00 0.00 H new ATOM 0 HG22 VAL A 105 5.288 -1.318 -10.449 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.606 -0.771 -10.255 1.00 0.00 H new ATOM 1547 N ARG A 106 6.456 -3.093 -7.509 1.00 0.00 N ATOM 1548 CA ARG A 106 7.640 -3.529 -6.832 1.00 0.00 C ATOM 1549 C ARG A 106 8.572 -4.165 -7.817 1.00 0.00 C ATOM 1550 O ARG A 106 8.543 -5.377 -8.045 1.00 0.00 O ATOM 1551 CB ARG A 106 7.362 -4.548 -5.808 1.00 0.00 C ATOM 1552 CG ARG A 106 7.910 -4.285 -4.436 1.00 0.00 C ATOM 1553 CD ARG A 106 7.697 -5.562 -3.639 1.00 0.00 C ATOM 1554 NE ARG A 106 8.224 -5.561 -2.259 1.00 0.00 N ATOM 1555 CZ ARG A 106 7.880 -4.668 -1.307 1.00 0.00 C ATOM 1556 NH1 ARG A 106 7.401 -3.479 -1.627 1.00 0.00 N ATOM 1557 NH2 ARG A 106 8.085 -4.933 -0.018 1.00 0.00 N ATOM 0 H ARG A 106 6.363 -3.464 -8.455 1.00 0.00 H new ATOM 0 HA ARG A 106 8.068 -2.645 -6.360 1.00 0.00 H new ATOM 0 HB2 ARG A 106 6.281 -4.665 -5.727 1.00 0.00 H new ATOM 0 HB3 ARG A 106 7.760 -5.501 -6.158 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.968 -4.028 -4.483 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.398 -3.444 -3.967 1.00 0.00 H new ATOM 0 HD2 ARG A 106 6.627 -5.767 -3.598 1.00 0.00 H new ATOM 0 HD3 ARG A 106 8.158 -6.387 -4.182 1.00 0.00 H new ATOM 0 HE ARG A 106 8.895 -6.287 -2.008 1.00 0.00 H new ATOM 0 HH11 ARG A 106 7.286 -3.223 -2.608 1.00 0.00 H new ATOM 0 HH12 ARG A 106 7.147 -2.817 -0.894 1.00 0.00 H new ATOM 0 HH21 ARG A 106 8.507 -5.819 0.260 1.00 0.00 H new ATOM 0 HH22 ARG A 106 7.821 -4.250 0.692 1.00 0.00 H new ATOM 1568 N GLU A 107 9.449 -3.367 -8.310 1.00 0.00 N ATOM 1569 CA GLU A 107 10.482 -3.849 -9.185 1.00 0.00 C ATOM 1570 C GLU A 107 11.773 -3.675 -8.422 1.00 0.00 C ATOM 1571 O GLU A 107 12.520 -2.709 -8.567 1.00 0.00 O ATOM 1572 CB GLU A 107 10.438 -3.020 -10.452 1.00 0.00 C ATOM 1573 CG GLU A 107 9.399 -1.923 -10.326 1.00 0.00 C ATOM 1574 CD GLU A 107 9.202 -1.130 -11.604 1.00 0.00 C ATOM 1575 OE1 GLU A 107 9.880 -1.440 -12.606 1.00 0.00 O ATOM 1576 OE2 GLU A 107 8.370 -0.199 -11.602 1.00 0.00 O ATOM 0 H GLU A 107 9.480 -2.364 -8.126 1.00 0.00 H new ATOM 0 HA GLU A 107 10.370 -4.893 -9.476 1.00 0.00 H new ATOM 0 HB2 GLU A 107 11.418 -2.582 -10.643 1.00 0.00 H new ATOM 0 HB3 GLU A 107 10.202 -3.658 -11.304 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.448 -2.366 -10.032 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.695 -1.243 -9.527 1.00 0.00 H new ATOM 1581 N ILE A 108 11.981 -4.641 -7.583 1.00 0.00 N ATOM 1582 CA ILE A 108 13.072 -4.692 -6.680 1.00 0.00 C ATOM 1583 C ILE A 108 14.194 -5.526 -7.256 1.00 0.00 C ATOM 1584 O ILE A 108 13.985 -6.623 -7.775 1.00 0.00 O ATOM 1585 CB ILE A 108 12.538 -5.305 -5.375 1.00 0.00 C ATOM 1586 CG1 ILE A 108 11.375 -4.453 -4.829 1.00 0.00 C ATOM 1587 CG2 ILE A 108 13.653 -5.446 -4.350 1.00 0.00 C ATOM 1588 CD1 ILE A 108 10.887 -4.916 -3.472 1.00 0.00 C ATOM 0 H ILE A 108 11.363 -5.449 -7.511 1.00 0.00 H new ATOM 0 HA ILE A 108 13.480 -3.698 -6.496 1.00 0.00 H new ATOM 0 HB ILE A 108 12.158 -6.305 -5.584 1.00 0.00 H new ATOM 0 HG12 ILE A 108 11.696 -3.414 -4.758 1.00 0.00 H new ATOM 0 HG13 ILE A 108 10.546 -4.483 -5.537 1.00 0.00 H new ATOM 0 HG21 ILE A 108 13.253 -5.882 -3.435 1.00 0.00 H new ATOM 0 HG22 ILE A 108 14.434 -6.093 -4.749 1.00 0.00 H new ATOM 0 HG23 ILE A 108 14.072 -4.464 -4.131 1.00 0.00 H new ATOM 0 HD11 ILE A 108 10.068 -4.276 -3.142 1.00 0.00 H new ATOM 0 HD12 ILE A 108 10.537 -5.946 -3.543 1.00 0.00 H new ATOM 0 HD13 ILE A 108 11.704 -4.859 -2.753 1.00 0.00 H new ATOM 1599 N SER A 109 15.375 -4.949 -7.206 1.00 0.00 N ATOM 1600 CA SER A 109 16.565 -5.568 -7.769 1.00 0.00 C ATOM 1601 C SER A 109 17.764 -5.370 -6.854 1.00 0.00 C ATOM 1602 O SER A 109 17.996 -4.260 -6.376 1.00 0.00 O ATOM 1603 CB SER A 109 16.816 -4.939 -9.136 1.00 0.00 C ATOM 1604 OG SER A 109 16.285 -5.741 -10.176 1.00 0.00 O ATOM 0 H SER A 109 15.542 -4.039 -6.776 1.00 0.00 H new ATOM 0 HA SER A 109 16.415 -6.643 -7.872 1.00 0.00 H new ATOM 0 HB2 SER A 109 16.364 -3.948 -9.171 1.00 0.00 H new ATOM 0 HB3 SER A 109 17.887 -4.806 -9.287 1.00 0.00 H new ATOM 0 HG SER A 109 16.459 -5.313 -11.040 1.00 0.00 H new ATOM 1609 N GLY A 110 18.509 -6.453 -6.588 1.00 0.00 N ATOM 1610 CA GLY A 110 19.650 -6.347 -5.690 1.00 0.00 C ATOM 1611 C GLY A 110 19.219 -5.636 -4.435 1.00 0.00 C ATOM 1612 O GLY A 110 18.545 -6.215 -3.582 1.00 0.00 O ATOM 0 H GLY A 110 18.343 -7.383 -6.973 1.00 0.00 H new ATOM 0 HA2 GLY A 110 20.033 -7.339 -5.449 1.00 0.00 H new ATOM 0 HA3 GLY A 110 20.460 -5.801 -6.173 1.00 0.00 H new ATOM 1616 N ASN A 111 19.516 -4.349 -4.368 1.00 0.00 N ATOM 1617 CA ASN A 111 19.056 -3.536 -3.264 1.00 0.00 C ATOM 1618 C ASN A 111 18.609 -2.192 -3.814 1.00 0.00 C ATOM 1619 O ASN A 111 19.398 -1.261 -3.980 1.00 0.00 O ATOM 1620 CB ASN A 111 20.154 -3.368 -2.206 1.00 0.00 C ATOM 1621 CG ASN A 111 21.481 -2.872 -2.770 1.00 0.00 C ATOM 1622 OD1 ASN A 111 21.549 -2.669 -4.082 1.00 0.00 O flip ATOM 1623 ND2 ASN A 111 22.441 -2.677 -2.026 1.00 0.00 N flip ATOM 0 H ASN A 111 20.071 -3.850 -5.063 1.00 0.00 H new ATOM 0 HA ASN A 111 18.217 -4.026 -2.770 1.00 0.00 H new ATOM 0 HB2 ASN A 111 19.809 -2.668 -1.445 1.00 0.00 H new ATOM 0 HB3 ASN A 111 20.316 -4.324 -1.709 1.00 0.00 H new ATOM 0 HD21 ASN A 111 22.352 -2.844 -1.024 1.00 0.00 H new ATOM 0 HD22 ASN A 111 23.326 -2.349 -2.411 1.00 0.00 H new ATOM 1629 N GLU A 112 17.315 -2.121 -4.090 1.00 0.00 N ATOM 1630 CA GLU A 112 16.677 -0.932 -4.624 1.00 0.00 C ATOM 1631 C GLU A 112 15.185 -1.185 -4.687 1.00 0.00 C ATOM 1632 O GLU A 112 14.774 -2.234 -5.182 1.00 0.00 O ATOM 1633 CB GLU A 112 17.212 -0.623 -6.024 1.00 0.00 C ATOM 1634 CG GLU A 112 16.500 0.529 -6.712 1.00 0.00 C ATOM 1635 CD GLU A 112 16.872 0.647 -8.179 1.00 0.00 C ATOM 1636 OE1 GLU A 112 17.722 -0.142 -8.642 1.00 0.00 O ATOM 1637 OE2 GLU A 112 16.315 1.528 -8.865 1.00 0.00 O ATOM 0 H GLU A 112 16.672 -2.900 -3.946 1.00 0.00 H new ATOM 0 HA GLU A 112 16.890 -0.077 -3.983 1.00 0.00 H new ATOM 0 HB2 GLU A 112 18.275 -0.391 -5.954 1.00 0.00 H new ATOM 0 HB3 GLU A 112 17.121 -1.516 -6.643 1.00 0.00 H new ATOM 0 HG2 GLU A 112 15.422 0.391 -6.623 1.00 0.00 H new ATOM 0 HG3 GLU A 112 16.745 1.461 -6.202 1.00 0.00 H new ATOM 1642 N LEU A 113 14.356 -0.264 -4.229 1.00 0.00 N ATOM 1643 CA LEU A 113 12.950 -0.498 -4.313 1.00 0.00 C ATOM 1644 C LEU A 113 12.319 0.483 -5.240 1.00 0.00 C ATOM 1645 O LEU A 113 12.947 1.373 -5.800 1.00 0.00 O ATOM 1646 CB LEU A 113 12.256 -0.466 -2.969 1.00 0.00 C ATOM 1647 CG LEU A 113 11.265 -1.606 -2.763 1.00 0.00 C ATOM 1648 CD1 LEU A 113 11.655 -2.424 -1.554 1.00 0.00 C ATOM 1649 CD2 LEU A 113 9.844 -1.082 -2.619 1.00 0.00 C ATOM 0 H LEU A 113 14.633 0.623 -3.809 1.00 0.00 H new ATOM 0 HA LEU A 113 12.827 -1.509 -4.702 1.00 0.00 H new ATOM 0 HB2 LEU A 113 13.008 -0.503 -2.181 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.731 0.483 -2.864 1.00 0.00 H new ATOM 0 HG LEU A 113 11.295 -2.246 -3.645 1.00 0.00 H new ATOM 0 HD11 LEU A 113 10.940 -3.235 -1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.651 -2.840 -1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 113 11.656 -1.788 -0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 113 9.161 -1.919 -2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 113 9.788 -0.414 -1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 113 9.564 -0.537 -3.521 1.00 0.00 H new ATOM 1660 N ILE A 114 11.088 0.221 -5.440 1.00 0.00 N ATOM 1661 CA ILE A 114 10.257 0.937 -6.336 1.00 0.00 C ATOM 1662 C ILE A 114 8.865 0.844 -5.822 1.00 0.00 C ATOM 1663 O ILE A 114 8.435 -0.207 -5.347 1.00 0.00 O ATOM 1664 CB ILE A 114 10.320 0.299 -7.717 1.00 0.00 C ATOM 1665 CG1 ILE A 114 10.909 -1.106 -7.593 1.00 0.00 C ATOM 1666 CG2 ILE A 114 11.144 1.153 -8.668 1.00 0.00 C ATOM 1667 CD1 ILE A 114 10.426 -1.919 -6.398 1.00 0.00 C ATOM 0 H ILE A 114 10.602 -0.537 -4.961 1.00 0.00 H new ATOM 0 HA ILE A 114 10.581 1.975 -6.411 1.00 0.00 H new ATOM 0 HB ILE A 114 9.313 0.229 -8.129 1.00 0.00 H new ATOM 0 HG12 ILE A 114 10.678 -1.659 -8.503 1.00 0.00 H new ATOM 0 HG13 ILE A 114 11.994 -1.022 -7.538 1.00 0.00 H new ATOM 0 HG21 ILE A 114 11.176 0.678 -9.649 1.00 0.00 H new ATOM 0 HG22 ILE A 114 10.690 2.140 -8.757 1.00 0.00 H new ATOM 0 HG23 ILE A 114 12.158 1.254 -8.281 1.00 0.00 H new ATOM 0 HD11 ILE A 114 10.906 -2.898 -6.406 1.00 0.00 H new ATOM 0 HD12 ILE A 114 10.682 -1.397 -5.476 1.00 0.00 H new ATOM 0 HD13 ILE A 114 9.345 -2.044 -6.456 1.00 0.00 H new ATOM 1678 N GLN A 115 8.167 1.924 -5.884 1.00 0.00 N ATOM 1679 CA GLN A 115 6.839 1.930 -5.384 1.00 0.00 C ATOM 1680 C GLN A 115 6.012 2.938 -6.149 1.00 0.00 C ATOM 1681 O GLN A 115 6.139 4.147 -5.955 1.00 0.00 O ATOM 1682 CB GLN A 115 6.881 2.239 -3.889 1.00 0.00 C ATOM 1683 CG GLN A 115 7.532 1.116 -3.044 1.00 0.00 C ATOM 1684 CD GLN A 115 7.165 1.215 -1.579 1.00 0.00 C ATOM 1685 OE1 GLN A 115 8.166 1.415 -0.731 1.00 0.00 O flip ATOM 1686 NE2 GLN A 115 5.995 1.117 -1.211 1.00 0.00 N flip ATOM 0 H GLN A 115 8.492 2.809 -6.274 1.00 0.00 H new ATOM 0 HA GLN A 115 6.370 0.955 -5.520 1.00 0.00 H new ATOM 0 HB2 GLN A 115 7.432 3.166 -3.733 1.00 0.00 H new ATOM 0 HB3 GLN A 115 5.865 2.409 -3.532 1.00 0.00 H new ATOM 0 HG2 GLN A 115 7.219 0.146 -3.430 1.00 0.00 H new ATOM 0 HG3 GLN A 115 8.616 1.167 -3.149 1.00 0.00 H new ATOM 0 HE21 GLN A 115 5.256 0.963 -1.897 1.00 0.00 H new ATOM 0 HE22 GLN A 115 5.764 1.189 -0.220 1.00 0.00 H new ATOM 1693 N THR A 116 5.178 2.423 -7.032 1.00 0.00 N ATOM 1694 CA THR A 116 4.338 3.254 -7.853 1.00 0.00 C ATOM 1695 C THR A 116 2.940 3.274 -7.316 1.00 0.00 C ATOM 1696 O THR A 116 2.296 2.232 -7.192 1.00 0.00 O ATOM 1697 CB THR A 116 4.258 2.753 -9.301 1.00 0.00 C ATOM 1698 OG1 THR A 116 5.548 2.358 -9.756 1.00 0.00 O ATOM 1699 CG2 THR A 116 3.693 3.838 -10.200 1.00 0.00 C ATOM 0 H THR A 116 5.069 1.422 -7.195 1.00 0.00 H new ATOM 0 HA THR A 116 4.786 4.248 -7.837 1.00 0.00 H new ATOM 0 HB THR A 116 3.595 1.889 -9.337 1.00 0.00 H new ATOM 0 HG1 THR A 116 5.467 1.921 -10.630 1.00 0.00 H new ATOM 0 HG21 THR A 116 3.641 3.471 -11.225 1.00 0.00 H new ATOM 0 HG22 THR A 116 2.693 4.108 -9.860 1.00 0.00 H new ATOM 0 HG23 THR A 116 4.339 4.715 -10.161 1.00 0.00 H new ATOM 1707 N TYR A 117 2.448 4.457 -7.034 1.00 0.00 N ATOM 1708 CA TYR A 117 1.116 4.578 -6.561 1.00 0.00 C ATOM 1709 C TYR A 117 0.338 5.406 -7.541 1.00 0.00 C ATOM 1710 O TYR A 117 0.899 6.171 -8.322 1.00 0.00 O ATOM 1711 CB TYR A 117 1.022 5.197 -5.175 1.00 0.00 C ATOM 1712 CG TYR A 117 2.139 4.791 -4.216 1.00 0.00 C ATOM 1713 CD1 TYR A 117 3.450 5.233 -4.388 1.00 0.00 C ATOM 1714 CD2 TYR A 117 1.878 3.962 -3.129 1.00 0.00 C ATOM 1715 CE1 TYR A 117 4.456 4.864 -3.516 1.00 0.00 C ATOM 1716 CE2 TYR A 117 2.887 3.591 -2.252 1.00 0.00 C ATOM 1717 CZ TYR A 117 4.171 4.045 -2.453 1.00 0.00 C ATOM 1718 OH TYR A 117 5.177 3.680 -1.586 1.00 0.00 O ATOM 0 H TYR A 117 2.957 5.336 -7.127 1.00 0.00 H new ATOM 0 HA TYR A 117 0.703 3.573 -6.474 1.00 0.00 H new ATOM 0 HB2 TYR A 117 1.025 6.282 -5.276 1.00 0.00 H new ATOM 0 HB3 TYR A 117 0.065 4.921 -4.733 1.00 0.00 H new ATOM 0 HD1 TYR A 117 3.684 5.878 -5.222 1.00 0.00 H new ATOM 0 HD2 TYR A 117 0.873 3.601 -2.965 1.00 0.00 H new ATOM 0 HE1 TYR A 117 5.464 5.219 -3.671 1.00 0.00 H new ATOM 0 HE2 TYR A 117 2.666 2.947 -1.413 1.00 0.00 H new ATOM 0 HH TYR A 117 4.785 3.307 -0.769 1.00 0.00 H new ATOM 1727 N THR A 118 -0.942 5.207 -7.505 1.00 0.00 N ATOM 1728 CA THR A 118 -1.862 5.869 -8.384 1.00 0.00 C ATOM 1729 C THR A 118 -3.220 5.960 -7.682 1.00 0.00 C ATOM 1730 O THR A 118 -3.469 5.262 -6.700 1.00 0.00 O ATOM 1731 CB THR A 118 -1.945 5.060 -9.697 1.00 0.00 C ATOM 1732 OG1 THR A 118 -0.644 4.559 -10.029 1.00 0.00 O ATOM 1733 CG2 THR A 118 -2.433 5.925 -10.843 1.00 0.00 C ATOM 0 H THR A 118 -1.389 4.566 -6.850 1.00 0.00 H new ATOM 0 HA THR A 118 -1.535 6.880 -8.626 1.00 0.00 H new ATOM 0 HB THR A 118 -2.648 4.241 -9.546 1.00 0.00 H new ATOM 0 HG1 THR A 118 -0.694 4.044 -10.861 1.00 0.00 H new ATOM 0 HG21 THR A 118 -2.481 5.329 -11.754 1.00 0.00 H new ATOM 0 HG22 THR A 118 -3.425 6.312 -10.610 1.00 0.00 H new ATOM 0 HG23 THR A 118 -1.744 6.757 -10.990 1.00 0.00 H new ATOM 1741 N TYR A 119 -4.086 6.818 -8.153 1.00 0.00 N ATOM 1742 CA TYR A 119 -5.402 6.970 -7.549 1.00 0.00 C ATOM 1743 C TYR A 119 -6.229 7.777 -8.499 1.00 0.00 C ATOM 1744 O TYR A 119 -6.016 8.976 -8.660 1.00 0.00 O ATOM 1745 CB TYR A 119 -5.306 7.596 -6.149 1.00 0.00 C ATOM 1746 CG TYR A 119 -4.512 8.877 -6.056 1.00 0.00 C ATOM 1747 CD1 TYR A 119 -5.124 10.094 -6.320 1.00 0.00 C ATOM 1748 CD2 TYR A 119 -3.162 8.879 -5.702 1.00 0.00 C ATOM 1749 CE1 TYR A 119 -4.427 11.279 -6.243 1.00 0.00 C ATOM 1750 CE2 TYR A 119 -2.458 10.071 -5.623 1.00 0.00 C ATOM 1751 CZ TYR A 119 -3.099 11.262 -5.897 1.00 0.00 C ATOM 1752 OH TYR A 119 -2.401 12.439 -5.828 1.00 0.00 O ATOM 0 H TYR A 119 -3.913 7.427 -8.953 1.00 0.00 H new ATOM 0 HA TYR A 119 -5.877 6.002 -7.390 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -6.316 7.790 -5.788 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -4.861 6.865 -5.474 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -6.169 10.112 -6.592 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -2.662 7.946 -5.488 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -4.922 12.216 -6.453 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -1.413 10.067 -5.348 1.00 0.00 H new ATOM 0 HH TYR A 119 -2.166 12.625 -4.895 1.00 0.00 H new ATOM 1761 N GLU A 120 -7.110 7.079 -9.201 1.00 0.00 N ATOM 1762 CA GLU A 120 -7.906 7.693 -10.235 1.00 0.00 C ATOM 1763 C GLU A 120 -6.970 7.887 -11.417 1.00 0.00 C ATOM 1764 O GLU A 120 -7.146 7.263 -12.464 1.00 0.00 O ATOM 1765 CB GLU A 120 -8.506 9.002 -9.738 1.00 0.00 C ATOM 1766 CG GLU A 120 -9.221 8.830 -8.411 1.00 0.00 C ATOM 1767 CD GLU A 120 -10.564 8.141 -8.555 1.00 0.00 C ATOM 1768 OE1 GLU A 120 -10.593 6.984 -9.026 1.00 0.00 O ATOM 1769 OE2 GLU A 120 -11.590 8.759 -8.197 1.00 0.00 O ATOM 0 H GLU A 120 -7.287 6.083 -9.067 1.00 0.00 H new ATOM 0 HA GLU A 120 -8.756 7.076 -10.527 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -7.716 9.746 -9.631 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -9.206 9.385 -10.480 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -8.591 8.251 -7.736 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -9.366 9.808 -7.952 1.00 0.00 H new ATOM 1774 N GLY A 121 -5.903 8.663 -11.206 1.00 0.00 N ATOM 1775 CA GLY A 121 -4.900 8.795 -12.229 1.00 0.00 C ATOM 1776 C GLY A 121 -3.662 9.558 -11.793 1.00 0.00 C ATOM 1777 O GLY A 121 -3.592 10.779 -11.941 1.00 0.00 O ATOM 0 H GLY A 121 -5.726 9.192 -10.352 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -4.602 7.800 -12.560 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -5.339 9.299 -13.090 1.00 0.00 H new ATOM 1781 N VAL A 122 -2.652 8.824 -11.334 1.00 0.00 N ATOM 1782 CA VAL A 122 -1.372 9.400 -10.966 1.00 0.00 C ATOM 1783 C VAL A 122 -0.360 8.319 -10.677 1.00 0.00 C ATOM 1784 O VAL A 122 -0.344 7.777 -9.584 1.00 0.00 O ATOM 1785 CB VAL A 122 -1.440 10.319 -9.727 1.00 0.00 C ATOM 1786 CG1 VAL A 122 -2.350 9.712 -8.692 1.00 0.00 C ATOM 1787 CG2 VAL A 122 -0.042 10.534 -9.159 1.00 0.00 C ATOM 0 H VAL A 122 -2.703 7.813 -11.208 1.00 0.00 H new ATOM 0 HA VAL A 122 -1.076 10.002 -11.825 1.00 0.00 H new ATOM 0 HB VAL A 122 -1.844 11.289 -10.018 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.395 10.364 -7.820 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -3.350 9.596 -9.110 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.965 8.736 -8.396 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -0.100 11.183 -8.285 1.00 0.00 H new ATOM 0 HG22 VAL A 122 0.385 9.574 -8.870 1.00 0.00 H new ATOM 0 HG23 VAL A 122 0.590 10.999 -9.915 1.00 0.00 H new ATOM 1797 N GLU A 123 0.536 8.039 -11.595 1.00 0.00 N ATOM 1798 CA GLU A 123 1.544 7.061 -11.280 1.00 0.00 C ATOM 1799 C GLU A 123 2.815 7.799 -10.956 1.00 0.00 C ATOM 1800 O GLU A 123 3.145 8.806 -11.583 1.00 0.00 O ATOM 1801 CB GLU A 123 1.801 6.042 -12.381 1.00 0.00 C ATOM 1802 CG GLU A 123 2.788 6.501 -13.444 1.00 0.00 C ATOM 1803 CD GLU A 123 2.862 5.547 -14.619 1.00 0.00 C ATOM 1804 OE1 GLU A 123 1.823 5.334 -15.278 1.00 0.00 O ATOM 1805 OE2 GLU A 123 3.961 5.011 -14.880 1.00 0.00 O ATOM 0 H GLU A 123 0.588 8.454 -12.525 1.00 0.00 H new ATOM 0 HA GLU A 123 1.180 6.479 -10.434 1.00 0.00 H new ATOM 0 HB2 GLU A 123 2.174 5.123 -11.929 1.00 0.00 H new ATOM 0 HB3 GLU A 123 0.854 5.799 -12.863 1.00 0.00 H new ATOM 0 HG2 GLU A 123 2.499 7.490 -13.801 1.00 0.00 H new ATOM 0 HG3 GLU A 123 3.778 6.600 -12.998 1.00 0.00 H new ATOM 1810 N ALA A 124 3.502 7.317 -9.961 1.00 0.00 N ATOM 1811 CA ALA A 124 4.726 7.948 -9.521 1.00 0.00 C ATOM 1812 C ALA A 124 5.470 7.023 -8.587 1.00 0.00 C ATOM 1813 O ALA A 124 4.855 6.184 -7.934 1.00 0.00 O ATOM 1814 CB ALA A 124 4.405 9.276 -8.835 1.00 0.00 C ATOM 0 H ALA A 124 3.239 6.485 -9.433 1.00 0.00 H new ATOM 0 HA ALA A 124 5.363 8.151 -10.382 1.00 0.00 H new ATOM 0 HB1 ALA A 124 5.330 9.748 -8.505 1.00 0.00 H new ATOM 0 HB2 ALA A 124 3.892 9.934 -9.537 1.00 0.00 H new ATOM 0 HB3 ALA A 124 3.763 9.094 -7.973 1.00 0.00 H new ATOM 1820 N LYS A 125 6.797 7.126 -8.567 1.00 0.00 N ATOM 1821 CA LYS A 125 7.612 6.259 -7.726 1.00 0.00 C ATOM 1822 C LYS A 125 8.990 6.853 -7.487 1.00 0.00 C ATOM 1823 O LYS A 125 9.571 7.474 -8.378 1.00 0.00 O ATOM 1824 CB LYS A 125 7.739 4.872 -8.342 1.00 0.00 C ATOM 1825 CG LYS A 125 6.896 4.642 -9.592 1.00 0.00 C ATOM 1826 CD LYS A 125 7.120 5.672 -10.677 1.00 0.00 C ATOM 1827 CE LYS A 125 6.100 5.490 -11.778 1.00 0.00 C ATOM 1828 NZ LYS A 125 5.869 4.055 -12.115 1.00 0.00 N ATOM 0 H LYS A 125 7.327 7.798 -9.121 1.00 0.00 H new ATOM 0 HA LYS A 125 7.109 6.171 -6.763 1.00 0.00 H new ATOM 0 HB2 LYS A 125 8.786 4.696 -8.590 1.00 0.00 H new ATOM 0 HB3 LYS A 125 7.460 4.131 -7.593 1.00 0.00 H new ATOM 0 HG2 LYS A 125 7.118 3.653 -9.992 1.00 0.00 H new ATOM 0 HG3 LYS A 125 5.842 4.644 -9.314 1.00 0.00 H new ATOM 0 HD2 LYS A 125 7.042 6.676 -10.259 1.00 0.00 H new ATOM 0 HD3 LYS A 125 8.127 5.573 -11.082 1.00 0.00 H new ATOM 0 HE2 LYS A 125 5.157 5.944 -11.473 1.00 0.00 H new ATOM 0 HE3 LYS A 125 6.435 6.019 -12.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 5.008 3.968 -12.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 6.683 3.688 -12.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 5.755 3.507 -11.239 1.00 0.00 H new ATOM 1838 N ARG A 126 9.524 6.641 -6.282 1.00 0.00 N ATOM 1839 CA ARG A 126 10.841 7.138 -5.949 1.00 0.00 C ATOM 1840 C ARG A 126 11.330 6.470 -4.703 1.00 0.00 C ATOM 1841 O ARG A 126 10.908 6.784 -3.604 1.00 0.00 O ATOM 1842 CB ARG A 126 10.856 8.661 -5.825 1.00 0.00 C ATOM 1843 CG ARG A 126 10.884 9.250 -4.423 1.00 0.00 C ATOM 1844 CD ARG A 126 12.276 9.506 -3.933 1.00 0.00 C ATOM 1845 NE ARG A 126 13.110 8.362 -4.174 1.00 0.00 N ATOM 1846 CZ ARG A 126 13.779 8.142 -5.294 1.00 0.00 C ATOM 1847 NH1 ARG A 126 13.896 9.097 -6.209 1.00 0.00 N ATOM 1848 NH2 ARG A 126 14.337 6.963 -5.494 1.00 0.00 N ATOM 0 H ARG A 126 9.060 6.130 -5.531 1.00 0.00 H new ATOM 0 HA ARG A 126 11.524 6.892 -6.763 1.00 0.00 H new ATOM 0 HB2 ARG A 126 11.727 9.034 -6.364 1.00 0.00 H new ATOM 0 HB3 ARG A 126 9.975 9.049 -6.336 1.00 0.00 H new ATOM 0 HG2 ARG A 126 10.322 10.184 -4.414 1.00 0.00 H new ATOM 0 HG3 ARG A 126 10.381 8.569 -3.737 1.00 0.00 H new ATOM 0 HD2 ARG A 126 12.691 10.379 -4.437 1.00 0.00 H new ATOM 0 HD3 ARG A 126 12.257 9.732 -2.867 1.00 0.00 H new ATOM 0 HE ARG A 126 13.192 7.670 -3.429 1.00 0.00 H new ATOM 0 HH11 ARG A 126 13.468 10.009 -6.051 1.00 0.00 H new ATOM 0 HH12 ARG A 126 14.414 8.918 -7.069 1.00 0.00 H new ATOM 0 HH21 ARG A 126 14.250 6.231 -4.788 1.00 0.00 H new ATOM 0 HH22 ARG A 126 14.855 6.783 -6.354 1.00 0.00 H new ATOM 1859 N ILE A 127 12.221 5.530 -4.868 1.00 0.00 N ATOM 1860 CA ILE A 127 12.744 4.827 -3.733 1.00 0.00 C ATOM 1861 C ILE A 127 14.012 4.079 -4.086 1.00 0.00 C ATOM 1862 O ILE A 127 13.991 3.208 -4.945 1.00 0.00 O ATOM 1863 CB ILE A 127 11.759 3.772 -3.178 1.00 0.00 C ATOM 1864 CG1 ILE A 127 10.275 4.153 -3.394 1.00 0.00 C ATOM 1865 CG2 ILE A 127 12.025 3.583 -1.706 1.00 0.00 C ATOM 1866 CD1 ILE A 127 9.348 3.482 -2.418 1.00 0.00 C ATOM 0 H ILE A 127 12.596 5.237 -5.770 1.00 0.00 H new ATOM 0 HA ILE A 127 12.928 5.598 -2.985 1.00 0.00 H new ATOM 0 HB ILE A 127 11.927 2.846 -3.729 1.00 0.00 H new ATOM 0 HG12 ILE A 127 10.167 5.234 -3.305 1.00 0.00 H new ATOM 0 HG13 ILE A 127 9.981 3.885 -4.409 1.00 0.00 H new ATOM 0 HG21 ILE A 127 11.336 2.841 -1.304 1.00 0.00 H new ATOM 0 HG22 ILE A 127 13.050 3.241 -1.562 1.00 0.00 H new ATOM 0 HG23 ILE A 127 11.882 4.530 -1.186 1.00 0.00 H new ATOM 0 HD11 ILE A 127 8.322 3.789 -2.621 1.00 0.00 H new ATOM 0 HD12 ILE A 127 9.430 2.400 -2.523 1.00 0.00 H new ATOM 0 HD13 ILE A 127 9.619 3.770 -1.402 1.00 0.00 H new ATOM 1877 N PHE A 128 15.088 4.331 -3.368 1.00 0.00 N ATOM 1878 CA PHE A 128 16.284 3.553 -3.589 1.00 0.00 C ATOM 1879 C PHE A 128 16.587 2.937 -2.283 1.00 0.00 C ATOM 1880 O PHE A 128 17.053 3.556 -1.332 1.00 0.00 O ATOM 1881 CB PHE A 128 17.408 4.357 -4.174 1.00 0.00 C ATOM 1882 CG PHE A 128 17.046 4.787 -5.558 1.00 0.00 C ATOM 1883 CD1 PHE A 128 16.463 3.865 -6.404 1.00 0.00 C ATOM 1884 CD2 PHE A 128 17.228 6.087 -5.999 1.00 0.00 C ATOM 1885 CE1 PHE A 128 16.076 4.219 -7.679 1.00 0.00 C ATOM 1886 CE2 PHE A 128 16.839 6.454 -7.278 1.00 0.00 C ATOM 1887 CZ PHE A 128 16.264 5.516 -8.119 1.00 0.00 C ATOM 0 H PHE A 128 15.158 5.048 -2.646 1.00 0.00 H new ATOM 0 HA PHE A 128 16.137 2.784 -4.348 1.00 0.00 H new ATOM 0 HB2 PHE A 128 17.608 5.229 -3.551 1.00 0.00 H new ATOM 0 HB3 PHE A 128 18.322 3.763 -4.194 1.00 0.00 H new ATOM 0 HD1 PHE A 128 16.308 2.852 -6.062 1.00 0.00 H new ATOM 0 HD2 PHE A 128 17.675 6.819 -5.343 1.00 0.00 H new ATOM 0 HE1 PHE A 128 15.627 3.485 -8.332 1.00 0.00 H new ATOM 0 HE2 PHE A 128 16.984 7.469 -7.618 1.00 0.00 H new ATOM 0 HZ PHE A 128 15.963 5.797 -9.117 1.00 0.00 H new ATOM 1896 N LYS A 129 16.134 1.734 -2.257 1.00 0.00 N ATOM 1897 CA LYS A 129 16.086 0.938 -1.068 1.00 0.00 C ATOM 1898 C LYS A 129 17.116 -0.140 -0.888 1.00 0.00 C ATOM 1899 O LYS A 129 17.795 -0.580 -1.810 1.00 0.00 O ATOM 1900 CB LYS A 129 14.740 0.271 -1.035 1.00 0.00 C ATOM 1901 CG LYS A 129 13.587 1.167 -0.674 1.00 0.00 C ATOM 1902 CD LYS A 129 12.439 0.360 -0.080 1.00 0.00 C ATOM 1903 CE LYS A 129 11.150 1.149 0.052 1.00 0.00 C ATOM 1904 NZ LYS A 129 11.331 2.394 0.848 1.00 0.00 N ATOM 0 H LYS A 129 15.774 1.256 -3.083 1.00 0.00 H new ATOM 0 HA LYS A 129 16.292 1.645 -0.264 1.00 0.00 H new ATOM 0 HB2 LYS A 129 14.546 -0.167 -2.014 1.00 0.00 H new ATOM 0 HB3 LYS A 129 14.778 -0.551 -0.320 1.00 0.00 H new ATOM 0 HG2 LYS A 129 13.916 1.920 0.042 1.00 0.00 H new ATOM 0 HG3 LYS A 129 13.243 1.699 -1.561 1.00 0.00 H new ATOM 0 HD2 LYS A 129 12.258 -0.514 -0.705 1.00 0.00 H new ATOM 0 HD3 LYS A 129 12.734 -0.007 0.903 1.00 0.00 H new ATOM 0 HE2 LYS A 129 10.780 1.405 -0.941 1.00 0.00 H new ATOM 0 HE3 LYS A 129 10.391 0.525 0.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 10.649 3.112 0.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 11.172 2.188 1.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 12.298 2.753 0.716 1.00 0.00 H new ATOM 1914 N LYS A 130 17.117 -0.595 0.359 1.00 0.00 N ATOM 1915 CA LYS A 130 17.932 -1.687 0.825 1.00 0.00 C ATOM 1916 C LYS A 130 19.421 -1.467 0.593 1.00 0.00 C ATOM 1917 O LYS A 130 19.834 -0.834 -0.378 1.00 0.00 O ATOM 1918 CB LYS A 130 17.452 -2.965 0.163 1.00 0.00 C ATOM 1919 CG LYS A 130 17.629 -4.196 1.020 1.00 0.00 C ATOM 1920 CD LYS A 130 17.560 -5.470 0.199 1.00 0.00 C ATOM 1921 CE LYS A 130 16.923 -6.594 0.996 1.00 0.00 C ATOM 1922 NZ LYS A 130 17.670 -6.886 2.251 1.00 0.00 N ATOM 0 H LYS A 130 16.528 -0.195 1.090 1.00 0.00 H new ATOM 0 HA LYS A 130 17.819 -1.759 1.907 1.00 0.00 H new ATOM 0 HB2 LYS A 130 16.397 -2.858 -0.091 1.00 0.00 H new ATOM 0 HB3 LYS A 130 17.993 -3.104 -0.773 1.00 0.00 H new ATOM 0 HG2 LYS A 130 18.589 -4.146 1.533 1.00 0.00 H new ATOM 0 HG3 LYS A 130 16.857 -4.217 1.789 1.00 0.00 H new ATOM 0 HD2 LYS A 130 16.985 -5.291 -0.709 1.00 0.00 H new ATOM 0 HD3 LYS A 130 18.563 -5.762 -0.112 1.00 0.00 H new ATOM 0 HE2 LYS A 130 15.895 -6.327 1.241 1.00 0.00 H new ATOM 0 HE3 LYS A 130 16.881 -7.494 0.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 17.272 -7.734 2.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 18.672 -7.051 2.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 17.588 -6.077 2.900 1.00 0.00 H new ATOM 1932 N GLU A 131 20.219 -2.003 1.508 1.00 0.00 N ATOM 1933 CA GLU A 131 21.674 -1.882 1.434 1.00 0.00 C ATOM 1934 C GLU A 131 22.349 -3.098 2.062 1.00 0.00 C ATOM 1935 O GLU A 131 22.763 -4.001 1.306 1.00 0.00 O ATOM 1936 CB GLU A 131 22.147 -0.610 2.143 1.00 0.00 C ATOM 1937 CG GLU A 131 21.648 0.675 1.503 1.00 0.00 C ATOM 1938 CD GLU A 131 22.131 1.915 2.229 1.00 0.00 C ATOM 1939 OE1 GLU A 131 23.361 2.107 2.324 1.00 0.00 O ATOM 1940 OE2 GLU A 131 21.278 2.696 2.704 1.00 0.00 O ATOM 1941 OXT GLU A 131 22.456 -3.138 3.306 1.00 0.00 O ATOM 0 H GLU A 131 19.883 -2.529 2.315 1.00 0.00 H new ATOM 0 HA GLU A 131 21.952 -1.826 0.381 1.00 0.00 H new ATOM 0 HB2 GLU A 131 21.815 -0.640 3.181 1.00 0.00 H new ATOM 0 HB3 GLU A 131 23.237 -0.598 2.157 1.00 0.00 H new ATOM 0 HG2 GLU A 131 21.981 0.713 0.466 1.00 0.00 H new ATOM 0 HG3 GLU A 131 20.558 0.669 1.488 1.00 0.00 H new TER 1946 GLU A 131