USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 768 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 39 GLN :FLIP amide:sc= -0.656 X(o=-1.6,f=-1.5) USER MOD Set 1.2: B 138 THR OG1 : rot -88:sc= 0.131 USER MOD Set 1.3: B 139 GLN :FLIP amide:sc= -0.49 F(o=-3.5,f=-1.5) USER MOD Set 1.4: B 141 GLN : amide:sc= -0.472 K(o=-1.5,f=-5.7!) USER MOD Set 2.1: B 113 ASN : amide:sc= 0.784 K(o=1.5,f=-1.9) USER MOD Set 2.2: B 117 LYS NZ :NH3+ -165:sc= 0.687 (180deg=0) USER MOD Set 3.1: A 36 LYS NZ :NH3+ -131:sc= -0.469 (180deg=-2.43!) USER MOD Set 3.2: A 38 THR OG1 : rot -170:sc= 0 USER MOD Set 4.1: A 33 GLN :FLIP amide:sc= -3.01 F(o=-7.5!,f=-3.2) USER MOD Set 4.2: A 41 GLN : amide:sc= -0.144 K(o=-3.2,f=-6.6!) USER MOD Single : A 1 ASP N :NH3+ -171:sc= -0.0914 (180deg=-0.24) USER MOD Single : A 3 LYS NZ :NH3+ 156:sc= -0.223 (180deg=-0.696) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.3) USER MOD Single : A 13 ASN :FLIP amide:sc= -0.0248 F(o=-0.54,f=-0.025) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -2.22 K(o=-2.2,f=-2.8!) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 82:sc= 1.29 USER MOD Single : A 24 ASN :FLIP amide:sc= -1.51 F(o=-3.3!,f=-1.5) USER MOD Single : A 25 MET CE :methyl -157:sc= -0.176 (180deg=-0.781) USER MOD Single : A 28 THR OG1 : rot 72:sc= 1.24 USER MOD Single : A 31 LYS NZ :NH3+ -158:sc= -1.16 (180deg=-2.18!) USER MOD Single : B 103 LYS NZ :NH3+ 172:sc= 0.317 (180deg=0.267) USER MOD Single : B 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 106 TYR OH : rot 180:sc= 0 USER MOD Single : B 108 GLN : amide:sc= -0.386 X(o=-0.39,f=-0.048) USER MOD Single : B 115 LYS NZ :NH3+ -162:sc= 0.637 (180deg=0.445) USER MOD Single : B 119 GLN : amide:sc= -2 K(o=-2,f=-3!) USER MOD Single : B 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 123 THR OG1 : rot 83:sc= 1.26 USER MOD Single : B 124 ASN :FLIP amide:sc= -1.06 F(o=-3!,f=-1.1) USER MOD Single : B 125 MET CE :methyl 156:sc= 0 (180deg=-0.401) USER MOD Single : B 128 THR OG1 : rot 73:sc= 1.21 USER MOD Single : B 131 LYS NZ :NH3+ -143:sc= 1.06 (180deg=-1.24!) USER MOD Single : B 133 GLN :FLIP amide:sc= -0.134 F(o=-0.99,f=-0.13) USER MOD Single : B 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 14.130 -8.585 24.770 1.00 51.33 N ATOM 2 CA ASP A 1 14.519 -7.775 23.601 1.00 71.22 C ATOM 3 C ASP A 1 13.598 -8.066 22.413 1.00 74.51 C ATOM 4 O ASP A 1 13.617 -7.341 21.435 1.00 64.12 O ATOM 5 CB ASP A 1 15.993 -8.031 23.237 1.00 12.34 C ATOM 6 CG ASP A 1 16.941 -7.638 24.379 1.00 65.21 C ATOM 7 OD1 ASP A 1 17.391 -6.472 24.422 1.00 54.31 O ATOM 8 OD2 ASP A 1 17.210 -8.476 25.264 1.00 65.45 O ATOM 0 H1 ASP A 1 14.662 -8.267 25.605 1.00 51.33 H new ATOM 0 H2 ASP A 1 13.111 -8.474 24.946 1.00 51.33 H new ATOM 0 H3 ASP A 1 14.342 -9.586 24.585 1.00 51.33 H new ATOM 0 HA ASP A 1 14.412 -6.721 23.856 1.00 71.22 H new ATOM 0 HB2 ASP A 1 16.130 -9.086 22.998 1.00 12.34 H new ATOM 0 HB3 ASP A 1 16.249 -7.465 22.341 1.00 12.34 H new ATOM 15 N PHE A 2 12.762 -9.118 22.518 1.00 61.44 N ATOM 16 CA PHE A 2 11.774 -9.484 21.471 1.00 4.33 C ATOM 17 C PHE A 2 10.664 -8.418 21.252 1.00 70.25 C ATOM 18 O PHE A 2 9.856 -8.549 20.320 1.00 33.03 O ATOM 19 CB PHE A 2 11.139 -10.850 21.812 1.00 61.10 C ATOM 20 CG PHE A 2 12.024 -12.067 21.502 1.00 53.22 C ATOM 21 CD1 PHE A 2 12.776 -12.705 22.488 1.00 24.15 C ATOM 22 CD2 PHE A 2 12.072 -12.585 20.210 1.00 20.43 C ATOM 23 CE1 PHE A 2 13.543 -13.823 22.186 1.00 12.21 C ATOM 24 CE2 PHE A 2 12.833 -13.694 19.904 1.00 21.35 C ATOM 25 CZ PHE A 2 13.571 -14.317 20.893 1.00 43.55 C ATOM 0 H PHE A 2 12.749 -9.739 23.327 1.00 61.44 H new ATOM 0 HA PHE A 2 12.324 -9.541 20.532 1.00 4.33 H new ATOM 0 HB2 PHE A 2 10.886 -10.863 22.872 1.00 61.10 H new ATOM 0 HB3 PHE A 2 10.204 -10.948 21.260 1.00 61.10 H new ATOM 0 HD1 PHE A 2 12.762 -12.325 23.499 1.00 24.15 H new ATOM 0 HD2 PHE A 2 11.500 -12.107 19.429 1.00 20.43 H new ATOM 0 HE1 PHE A 2 14.118 -14.308 22.961 1.00 12.21 H new ATOM 0 HE2 PHE A 2 12.852 -14.075 18.894 1.00 21.35 H new ATOM 0 HZ PHE A 2 14.167 -15.186 20.658 1.00 43.55 H new ATOM 35 N LYS A 3 10.626 -7.373 22.100 1.00 42.11 N ATOM 36 CA LYS A 3 9.665 -6.258 21.942 1.00 42.44 C ATOM 37 C LYS A 3 9.989 -5.447 20.666 1.00 32.15 C ATOM 38 O LYS A 3 9.082 -4.988 19.965 1.00 53.43 O ATOM 39 CB LYS A 3 9.614 -5.348 23.218 1.00 41.42 C ATOM 40 CG LYS A 3 10.707 -4.251 23.390 1.00 24.33 C ATOM 41 CD LYS A 3 12.168 -4.761 23.313 1.00 51.40 C ATOM 42 CE LYS A 3 13.172 -3.820 24.002 1.00 64.35 C ATOM 43 NZ LYS A 3 12.789 -3.476 25.403 1.00 61.33 N ATOM 0 H LYS A 3 11.248 -7.275 22.902 1.00 42.11 H new ATOM 0 HA LYS A 3 8.668 -6.683 21.827 1.00 42.44 H new ATOM 0 HB2 LYS A 3 8.642 -4.854 23.235 1.00 41.42 H new ATOM 0 HB3 LYS A 3 9.656 -5.999 24.092 1.00 41.42 H new ATOM 0 HG2 LYS A 3 10.562 -3.492 22.621 1.00 24.33 H new ATOM 0 HG3 LYS A 3 10.560 -3.761 24.353 1.00 24.33 H new ATOM 0 HD2 LYS A 3 12.227 -5.747 23.774 1.00 51.40 H new ATOM 0 HD3 LYS A 3 12.450 -4.881 22.267 1.00 51.40 H new ATOM 0 HE2 LYS A 3 14.156 -4.289 24.006 1.00 64.35 H new ATOM 0 HE3 LYS A 3 13.258 -2.902 23.420 1.00 64.35 H new ATOM 0 HZ1 LYS A 3 13.638 -3.204 25.938 1.00 61.33 H new ATOM 0 HZ2 LYS A 3 12.117 -2.683 25.394 1.00 61.33 H new ATOM 0 HZ3 LYS A 3 12.345 -4.301 25.854 1.00 61.33 H new ATOM 57 N LYS A 4 11.298 -5.321 20.355 1.00 62.02 N ATOM 58 CA LYS A 4 11.752 -4.628 19.135 1.00 64.43 C ATOM 59 C LYS A 4 11.604 -5.539 17.921 1.00 52.52 C ATOM 60 O LYS A 4 11.487 -5.038 16.820 1.00 42.02 O ATOM 61 CB LYS A 4 13.209 -4.084 19.253 1.00 42.54 C ATOM 62 CG LYS A 4 14.327 -5.136 19.535 1.00 33.53 C ATOM 63 CD LYS A 4 15.427 -5.227 18.435 1.00 70.45 C ATOM 64 CE LYS A 4 14.973 -5.975 17.169 1.00 71.41 C ATOM 65 NZ LYS A 4 16.067 -6.091 16.159 1.00 3.21 N ATOM 0 H LYS A 4 12.054 -5.690 20.932 1.00 62.02 H new ATOM 0 HA LYS A 4 11.110 -3.757 19.005 1.00 64.43 H new ATOM 0 HB2 LYS A 4 13.455 -3.565 18.326 1.00 42.54 H new ATOM 0 HB3 LYS A 4 13.232 -3.341 20.050 1.00 42.54 H new ATOM 0 HG2 LYS A 4 14.802 -4.895 20.486 1.00 33.53 H new ATOM 0 HG3 LYS A 4 13.864 -6.116 19.649 1.00 33.53 H new ATOM 0 HD2 LYS A 4 15.738 -4.219 18.160 1.00 70.45 H new ATOM 0 HD3 LYS A 4 16.302 -5.728 18.849 1.00 70.45 H new ATOM 0 HE2 LYS A 4 14.626 -6.972 17.443 1.00 71.41 H new ATOM 0 HE3 LYS A 4 14.125 -5.453 16.725 1.00 71.41 H new ATOM 0 HZ1 LYS A 4 15.716 -6.602 15.324 1.00 3.21 H new ATOM 0 HZ2 LYS A 4 16.381 -5.141 15.877 1.00 3.21 H new ATOM 0 HZ3 LYS A 4 16.867 -6.612 16.572 1.00 3.21 H new ATOM 79 N LEU A 5 11.615 -6.877 18.133 1.00 13.34 N ATOM 80 CA LEU A 5 11.366 -7.855 17.044 1.00 12.35 C ATOM 81 C LEU A 5 9.983 -7.591 16.422 1.00 64.20 C ATOM 82 O LEU A 5 9.826 -7.525 15.182 1.00 2.03 O ATOM 83 CB LEU A 5 11.423 -9.320 17.564 1.00 43.14 C ATOM 84 CG LEU A 5 11.367 -10.420 16.452 1.00 12.42 C ATOM 85 CD1 LEU A 5 12.726 -10.533 15.729 1.00 51.13 C ATOM 86 CD2 LEU A 5 10.896 -11.785 16.998 1.00 53.01 C ATOM 0 H LEU A 5 11.793 -7.303 19.043 1.00 13.34 H new ATOM 0 HA LEU A 5 12.149 -7.729 16.296 1.00 12.35 H new ATOM 0 HB2 LEU A 5 12.341 -9.451 18.137 1.00 43.14 H new ATOM 0 HB3 LEU A 5 10.592 -9.478 18.252 1.00 43.14 H new ATOM 0 HG LEU A 5 10.619 -10.108 15.723 1.00 12.42 H new ATOM 0 HD11 LEU A 5 12.666 -11.303 14.960 1.00 51.13 H new ATOM 0 HD12 LEU A 5 12.973 -9.577 15.267 1.00 51.13 H new ATOM 0 HD13 LEU A 5 13.500 -10.799 16.449 1.00 51.13 H new ATOM 0 HD21 LEU A 5 10.874 -12.513 16.187 1.00 53.01 H new ATOM 0 HD22 LEU A 5 11.584 -12.124 17.772 1.00 53.01 H new ATOM 0 HD23 LEU A 5 9.896 -11.683 17.420 1.00 53.01 H new ATOM 98 N TYR A 6 9.000 -7.422 17.336 1.00 41.51 N ATOM 99 CA TYR A 6 7.639 -7.010 17.004 1.00 41.32 C ATOM 100 C TYR A 6 7.668 -5.686 16.227 1.00 72.22 C ATOM 101 O TYR A 6 7.182 -5.627 15.104 1.00 33.10 O ATOM 102 CB TYR A 6 6.798 -6.890 18.310 1.00 1.21 C ATOM 103 CG TYR A 6 5.278 -6.864 18.084 1.00 72.15 C ATOM 104 CD1 TYR A 6 4.529 -8.048 18.085 1.00 0.31 C ATOM 105 CD2 TYR A 6 4.592 -5.666 17.851 1.00 74.33 C ATOM 106 CE1 TYR A 6 3.165 -8.036 17.864 1.00 62.01 C ATOM 107 CE2 TYR A 6 3.226 -5.657 17.635 1.00 64.21 C ATOM 108 CZ TYR A 6 2.521 -6.841 17.643 1.00 5.03 C ATOM 109 OH TYR A 6 1.162 -6.830 17.421 1.00 22.34 O ATOM 0 H TYR A 6 9.143 -7.573 18.335 1.00 41.51 H new ATOM 0 HA TYR A 6 7.170 -7.759 16.366 1.00 41.32 H new ATOM 0 HB2 TYR A 6 7.042 -7.728 18.963 1.00 1.21 H new ATOM 0 HB3 TYR A 6 7.091 -5.981 18.835 1.00 1.21 H new ATOM 0 HD1 TYR A 6 5.028 -8.989 18.262 1.00 0.31 H new ATOM 0 HD2 TYR A 6 5.138 -4.734 17.840 1.00 74.33 H new ATOM 0 HE1 TYR A 6 2.607 -8.961 17.865 1.00 62.01 H new ATOM 0 HE2 TYR A 6 2.712 -4.723 17.460 1.00 64.21 H new ATOM 0 HH TYR A 6 0.860 -5.908 17.283 1.00 22.34 H new ATOM 119 N GLU A 7 8.343 -4.673 16.810 1.00 35.00 N ATOM 120 CA GLU A 7 8.417 -3.310 16.253 1.00 14.03 C ATOM 121 C GLU A 7 9.023 -3.264 14.845 1.00 45.40 C ATOM 122 O GLU A 7 8.594 -2.452 14.035 1.00 3.04 O ATOM 123 CB GLU A 7 9.224 -2.382 17.198 1.00 12.52 C ATOM 124 CG GLU A 7 8.502 -2.032 18.508 1.00 61.22 C ATOM 125 CD GLU A 7 7.108 -1.406 18.297 1.00 51.13 C ATOM 126 OE1 GLU A 7 7.022 -0.184 18.045 1.00 22.43 O ATOM 127 OE2 GLU A 7 6.089 -2.137 18.378 1.00 44.32 O ATOM 0 H GLU A 7 8.854 -4.781 17.686 1.00 35.00 H new ATOM 0 HA GLU A 7 7.389 -2.958 16.171 1.00 14.03 H new ATOM 0 HB2 GLU A 7 10.173 -2.862 17.437 1.00 12.52 H new ATOM 0 HB3 GLU A 7 9.459 -1.459 16.668 1.00 12.52 H new ATOM 0 HG2 GLU A 7 8.398 -2.936 19.108 1.00 61.22 H new ATOM 0 HG3 GLU A 7 9.120 -1.339 19.079 1.00 61.22 H new ATOM 134 N GLN A 8 10.024 -4.122 14.573 1.00 5.35 N ATOM 135 CA GLN A 8 10.720 -4.139 13.265 1.00 64.23 C ATOM 136 C GLN A 8 9.768 -4.521 12.131 1.00 71.45 C ATOM 137 O GLN A 8 9.477 -3.676 11.264 1.00 12.33 O ATOM 138 CB GLN A 8 11.977 -5.063 13.266 1.00 10.13 C ATOM 139 CG GLN A 8 13.094 -4.640 14.254 1.00 1.21 C ATOM 140 CD GLN A 8 13.243 -3.120 14.424 1.00 34.02 C ATOM 141 OE1 GLN A 8 13.998 -2.465 13.707 1.00 53.34 O ATOM 142 NE2 GLN A 8 12.496 -2.556 15.367 1.00 4.13 N ATOM 0 H GLN A 8 10.371 -4.813 15.238 1.00 5.35 H new ATOM 0 HA GLN A 8 11.071 -3.122 13.091 1.00 64.23 H new ATOM 0 HB2 GLN A 8 11.664 -6.079 13.507 1.00 10.13 H new ATOM 0 HB3 GLN A 8 12.393 -5.088 12.259 1.00 10.13 H new ATOM 0 HG2 GLN A 8 12.890 -5.085 15.228 1.00 1.21 H new ATOM 0 HG3 GLN A 8 14.043 -5.050 13.909 1.00 1.21 H new ATOM 0 HE21 GLN A 8 11.881 -3.131 15.943 1.00 4.13 H new ATOM 0 HE22 GLN A 8 12.537 -1.548 15.515 1.00 4.13 H new ATOM 151 N ILE A 9 9.271 -5.782 12.136 1.00 41.44 N ATOM 152 CA ILE A 9 8.344 -6.240 11.079 1.00 43.23 C ATOM 153 C ILE A 9 7.062 -5.365 11.042 1.00 53.32 C ATOM 154 O ILE A 9 6.608 -4.992 9.970 1.00 64.33 O ATOM 155 CB ILE A 9 7.902 -7.743 11.214 1.00 73.24 C ATOM 156 CG1 ILE A 9 9.094 -8.686 11.540 1.00 25.44 C ATOM 157 CG2 ILE A 9 7.201 -8.204 9.901 1.00 33.43 C ATOM 158 CD1 ILE A 9 8.659 -10.120 11.771 1.00 44.12 C ATOM 0 H ILE A 9 9.491 -6.483 12.843 1.00 41.44 H new ATOM 0 HA ILE A 9 8.915 -6.142 10.155 1.00 43.23 H new ATOM 0 HB ILE A 9 7.206 -7.805 12.051 1.00 73.24 H new ATOM 0 HG12 ILE A 9 9.811 -8.656 10.719 1.00 25.44 H new ATOM 0 HG13 ILE A 9 9.610 -8.320 12.428 1.00 25.44 H new ATOM 0 HG21 ILE A 9 6.896 -9.246 9.998 1.00 33.43 H new ATOM 0 HG22 ILE A 9 6.323 -7.584 9.720 1.00 33.43 H new ATOM 0 HG23 ILE A 9 7.893 -8.105 9.065 1.00 33.43 H new ATOM 0 HD11 ILE A 9 9.532 -10.733 11.995 1.00 44.12 H new ATOM 0 HD12 ILE A 9 7.964 -10.159 12.610 1.00 44.12 H new ATOM 0 HD13 ILE A 9 8.168 -10.500 10.875 1.00 44.12 H new ATOM 170 N LEU A 10 6.523 -5.031 12.237 1.00 60.52 N ATOM 171 CA LEU A 10 5.252 -4.272 12.395 1.00 53.43 C ATOM 172 C LEU A 10 5.404 -2.815 11.893 1.00 71.21 C ATOM 173 O LEU A 10 4.425 -2.210 11.466 1.00 11.11 O ATOM 174 CB LEU A 10 4.771 -4.338 13.887 1.00 73.42 C ATOM 175 CG LEU A 10 3.232 -4.192 14.200 1.00 20.30 C ATOM 176 CD1 LEU A 10 2.712 -2.744 14.047 1.00 30.41 C ATOM 177 CD2 LEU A 10 2.383 -5.190 13.364 1.00 4.33 C ATOM 0 H LEU A 10 6.957 -5.280 13.126 1.00 60.52 H new ATOM 0 HA LEU A 10 4.484 -4.735 11.775 1.00 53.43 H new ATOM 0 HB2 LEU A 10 5.102 -5.292 14.298 1.00 73.42 H new ATOM 0 HB3 LEU A 10 5.295 -3.556 14.437 1.00 73.42 H new ATOM 0 HG LEU A 10 3.115 -4.447 15.253 1.00 20.30 H new ATOM 0 HD11 LEU A 10 1.647 -2.714 14.277 1.00 30.41 H new ATOM 0 HD12 LEU A 10 3.250 -2.090 14.733 1.00 30.41 H new ATOM 0 HD13 LEU A 10 2.872 -2.406 13.023 1.00 30.41 H new ATOM 0 HD21 LEU A 10 1.328 -5.061 13.605 1.00 4.33 H new ATOM 0 HD22 LEU A 10 2.538 -4.999 12.302 1.00 4.33 H new ATOM 0 HD23 LEU A 10 2.687 -6.210 13.597 1.00 4.33 H new ATOM 189 N ALA A 11 6.637 -2.265 11.930 1.00 1.02 N ATOM 190 CA ALA A 11 6.916 -0.913 11.392 1.00 64.35 C ATOM 191 C ALA A 11 6.757 -0.889 9.862 1.00 54.23 C ATOM 192 O ALA A 11 6.101 0.005 9.310 1.00 55.04 O ATOM 193 CB ALA A 11 8.322 -0.436 11.785 1.00 13.21 C ATOM 0 H ALA A 11 7.453 -2.733 12.325 1.00 1.02 H new ATOM 0 HA ALA A 11 6.189 -0.229 11.830 1.00 64.35 H new ATOM 0 HB1 ALA A 11 8.496 0.559 11.375 1.00 13.21 H new ATOM 0 HB2 ALA A 11 8.404 -0.401 12.871 1.00 13.21 H new ATOM 0 HB3 ALA A 11 9.065 -1.127 11.388 1.00 13.21 H new ATOM 199 N GLU A 12 7.364 -1.896 9.192 1.00 35.34 N ATOM 200 CA GLU A 12 7.251 -2.061 7.733 1.00 64.14 C ATOM 201 C GLU A 12 5.821 -2.495 7.362 1.00 24.23 C ATOM 202 O GLU A 12 5.290 -2.051 6.369 1.00 31.14 O ATOM 203 CB GLU A 12 8.282 -3.093 7.198 1.00 11.44 C ATOM 204 CG GLU A 12 8.289 -3.216 5.658 1.00 12.15 C ATOM 205 CD GLU A 12 9.273 -4.268 5.119 1.00 33.41 C ATOM 206 OE1 GLU A 12 8.825 -5.344 4.659 1.00 34.15 O ATOM 207 OE2 GLU A 12 10.498 -4.024 5.152 1.00 11.42 O ATOM 0 H GLU A 12 7.938 -2.607 9.645 1.00 35.34 H new ATOM 0 HA GLU A 12 7.468 -1.100 7.266 1.00 64.14 H new ATOM 0 HB2 GLU A 12 9.278 -2.808 7.536 1.00 11.44 H new ATOM 0 HB3 GLU A 12 8.065 -4.069 7.632 1.00 11.44 H new ATOM 0 HG2 GLU A 12 7.284 -3.466 5.319 1.00 12.15 H new ATOM 0 HG3 GLU A 12 8.538 -2.246 5.227 1.00 12.15 H new ATOM 214 N ASN A 13 5.215 -3.328 8.224 1.00 65.33 N ATOM 215 CA ASN A 13 3.849 -3.880 8.055 1.00 41.44 C ATOM 216 C ASN A 13 2.805 -2.742 8.070 1.00 71.14 C ATOM 217 O ASN A 13 1.866 -2.726 7.263 1.00 11.33 O ATOM 218 CB ASN A 13 3.583 -4.905 9.192 1.00 65.33 C ATOM 219 CG ASN A 13 2.156 -5.443 9.258 1.00 14.23 C ATOM 220 OD1 ASN A 13 1.899 -6.575 8.625 1.00 31.43 O flip ATOM 221 ND2 ASN A 13 1.292 -4.850 9.902 1.00 53.44 N flip ATOM 0 H ASN A 13 5.667 -3.648 9.080 1.00 65.33 H new ATOM 0 HA ASN A 13 3.766 -4.385 7.093 1.00 41.44 H new ATOM 0 HB2 ASN A 13 4.266 -5.745 9.070 1.00 65.33 H new ATOM 0 HB3 ASN A 13 3.822 -4.436 10.146 1.00 65.33 H new ATOM 0 HD21 ASN A 13 1.520 -3.978 10.380 1.00 53.44 H new ATOM 0 HD22 ASN A 13 0.347 -5.230 9.958 1.00 53.44 H new ATOM 228 N GLU A 14 3.024 -1.779 8.987 1.00 72.55 N ATOM 229 CA GLU A 14 2.239 -0.538 9.085 1.00 13.02 C ATOM 230 C GLU A 14 2.378 0.262 7.787 1.00 51.52 C ATOM 231 O GLU A 14 1.386 0.726 7.211 1.00 41.42 O ATOM 232 CB GLU A 14 2.718 0.317 10.311 1.00 32.31 C ATOM 233 CG GLU A 14 2.608 1.841 10.106 1.00 23.22 C ATOM 234 CD GLU A 14 2.918 2.670 11.354 1.00 43.51 C ATOM 235 OE1 GLU A 14 2.071 2.722 12.267 1.00 55.12 O ATOM 236 OE2 GLU A 14 3.999 3.292 11.421 1.00 2.02 O ATOM 0 H GLU A 14 3.762 -1.845 9.689 1.00 72.55 H new ATOM 0 HA GLU A 14 1.189 -0.791 9.235 1.00 13.02 H new ATOM 0 HB2 GLU A 14 2.131 0.037 11.185 1.00 32.31 H new ATOM 0 HB3 GLU A 14 3.756 0.066 10.530 1.00 32.31 H new ATOM 0 HG2 GLU A 14 3.289 2.138 9.309 1.00 23.22 H new ATOM 0 HG3 GLU A 14 1.599 2.078 9.768 1.00 23.22 H new ATOM 243 N LYS A 15 3.636 0.422 7.355 1.00 53.35 N ATOM 244 CA LYS A 15 3.969 1.163 6.144 1.00 23.03 C ATOM 245 C LYS A 15 3.305 0.519 4.917 1.00 42.53 C ATOM 246 O LYS A 15 2.761 1.218 4.086 1.00 44.44 O ATOM 247 CB LYS A 15 5.500 1.219 5.925 1.00 33.33 C ATOM 248 CG LYS A 15 5.926 2.093 4.712 1.00 64.35 C ATOM 249 CD LYS A 15 7.188 1.584 3.981 1.00 75.22 C ATOM 250 CE LYS A 15 6.975 0.214 3.299 1.00 53.24 C ATOM 251 NZ LYS A 15 8.085 -0.103 2.362 1.00 55.21 N ATOM 0 H LYS A 15 4.448 0.039 7.840 1.00 53.35 H new ATOM 0 HA LYS A 15 3.594 2.179 6.269 1.00 23.03 H new ATOM 0 HB2 LYS A 15 5.973 1.609 6.826 1.00 33.33 H new ATOM 0 HB3 LYS A 15 5.875 0.206 5.781 1.00 33.33 H new ATOM 0 HG2 LYS A 15 5.100 2.137 4.002 1.00 64.35 H new ATOM 0 HG3 LYS A 15 6.105 3.112 5.057 1.00 64.35 H new ATOM 0 HD2 LYS A 15 7.487 2.316 3.230 1.00 75.22 H new ATOM 0 HD3 LYS A 15 8.008 1.506 4.694 1.00 75.22 H new ATOM 0 HE2 LYS A 15 6.904 -0.565 4.058 1.00 53.24 H new ATOM 0 HE3 LYS A 15 6.029 0.219 2.757 1.00 53.24 H new ATOM 0 HZ1 LYS A 15 7.913 -1.029 1.920 1.00 55.21 H new ATOM 0 HZ2 LYS A 15 8.136 0.628 1.624 1.00 55.21 H new ATOM 0 HZ3 LYS A 15 8.984 -0.131 2.885 1.00 55.21 H new ATOM 265 N LEU A 16 3.326 -0.829 4.862 1.00 24.52 N ATOM 266 CA LEU A 16 2.777 -1.620 3.742 1.00 61.20 C ATOM 267 C LEU A 16 1.249 -1.482 3.688 1.00 70.20 C ATOM 268 O LEU A 16 0.652 -1.485 2.612 1.00 14.31 O ATOM 269 CB LEU A 16 3.182 -3.108 3.862 1.00 13.14 C ATOM 270 CG LEU A 16 4.699 -3.415 3.688 1.00 53.54 C ATOM 271 CD1 LEU A 16 5.012 -4.888 4.018 1.00 33.21 C ATOM 272 CD2 LEU A 16 5.202 -3.045 2.279 1.00 32.30 C ATOM 0 H LEU A 16 3.729 -1.404 5.602 1.00 24.52 H new ATOM 0 HA LEU A 16 3.196 -1.230 2.814 1.00 61.20 H new ATOM 0 HB2 LEU A 16 2.867 -3.473 4.840 1.00 13.14 H new ATOM 0 HB3 LEU A 16 2.628 -3.677 3.116 1.00 13.14 H new ATOM 0 HG LEU A 16 5.237 -2.788 4.400 1.00 53.54 H new ATOM 0 HD11 LEU A 16 6.078 -5.071 3.887 1.00 33.21 H new ATOM 0 HD12 LEU A 16 4.732 -5.097 5.050 1.00 33.21 H new ATOM 0 HD13 LEU A 16 4.447 -5.538 3.350 1.00 33.21 H new ATOM 0 HD21 LEU A 16 6.265 -3.275 2.200 1.00 32.30 H new ATOM 0 HD22 LEU A 16 4.650 -3.618 1.534 1.00 32.30 H new ATOM 0 HD23 LEU A 16 5.047 -1.980 2.105 1.00 32.30 H new ATOM 284 N LYS A 17 0.650 -1.337 4.874 1.00 44.54 N ATOM 285 CA LYS A 17 -0.782 -1.075 5.050 1.00 11.43 C ATOM 286 C LYS A 17 -1.118 0.355 4.548 1.00 65.23 C ATOM 287 O LYS A 17 -2.194 0.595 3.972 1.00 75.05 O ATOM 288 CB LYS A 17 -1.112 -1.312 6.560 1.00 21.34 C ATOM 289 CG LYS A 17 -2.563 -1.047 7.052 1.00 25.21 C ATOM 290 CD LYS A 17 -2.877 0.445 7.330 1.00 72.12 C ATOM 291 CE LYS A 17 -1.851 1.116 8.260 1.00 11.32 C ATOM 292 NZ LYS A 17 -2.195 2.538 8.532 1.00 11.50 N ATOM 0 H LYS A 17 1.157 -1.400 5.757 1.00 44.54 H new ATOM 0 HA LYS A 17 -1.405 -1.745 4.458 1.00 11.43 H new ATOM 0 HB2 LYS A 17 -0.866 -2.348 6.795 1.00 21.34 H new ATOM 0 HB3 LYS A 17 -0.443 -0.684 7.148 1.00 21.34 H new ATOM 0 HG2 LYS A 17 -3.262 -1.421 6.304 1.00 25.21 H new ATOM 0 HG3 LYS A 17 -2.736 -1.619 7.964 1.00 25.21 H new ATOM 0 HD2 LYS A 17 -2.909 0.986 6.384 1.00 72.12 H new ATOM 0 HD3 LYS A 17 -3.869 0.524 7.776 1.00 72.12 H new ATOM 0 HE2 LYS A 17 -1.801 0.568 9.201 1.00 11.32 H new ATOM 0 HE3 LYS A 17 -0.861 1.062 7.807 1.00 11.32 H new ATOM 0 HZ1 LYS A 17 -1.480 2.954 9.162 1.00 11.50 H new ATOM 0 HZ2 LYS A 17 -2.218 3.067 7.637 1.00 11.50 H new ATOM 0 HZ3 LYS A 17 -3.129 2.588 8.987 1.00 11.50 H new ATOM 306 N ALA A 18 -0.165 1.284 4.730 1.00 55.20 N ATOM 307 CA ALA A 18 -0.343 2.695 4.360 1.00 51.15 C ATOM 308 C ALA A 18 -0.241 2.879 2.839 1.00 14.25 C ATOM 309 O ALA A 18 -1.173 3.374 2.208 1.00 60.01 O ATOM 310 CB ALA A 18 0.678 3.571 5.102 1.00 31.45 C ATOM 0 H ALA A 18 0.747 1.077 5.137 1.00 55.20 H new ATOM 0 HA ALA A 18 -1.342 3.012 4.660 1.00 51.15 H new ATOM 0 HB1 ALA A 18 0.536 4.614 4.819 1.00 31.45 H new ATOM 0 HB2 ALA A 18 0.536 3.464 6.177 1.00 31.45 H new ATOM 0 HB3 ALA A 18 1.688 3.257 4.836 1.00 31.45 H new ATOM 316 N GLN A 19 0.887 2.433 2.261 1.00 64.01 N ATOM 317 CA GLN A 19 1.160 2.541 0.820 1.00 50.31 C ATOM 318 C GLN A 19 0.158 1.736 -0.015 1.00 14.40 C ATOM 319 O GLN A 19 -0.140 2.124 -1.140 1.00 4.33 O ATOM 320 CB GLN A 19 2.624 2.114 0.518 1.00 23.23 C ATOM 321 CG GLN A 19 3.051 0.762 1.135 1.00 55.54 C ATOM 322 CD GLN A 19 3.142 -0.427 0.178 1.00 32.53 C ATOM 323 OE1 GLN A 19 4.164 -0.639 -0.473 1.00 74.44 O ATOM 324 NE2 GLN A 19 2.098 -1.247 0.141 1.00 42.20 N ATOM 0 H GLN A 19 1.639 1.985 2.785 1.00 64.01 H new ATOM 0 HA GLN A 19 1.038 3.585 0.532 1.00 50.31 H new ATOM 0 HB2 GLN A 19 2.755 2.061 -0.563 1.00 23.23 H new ATOM 0 HB3 GLN A 19 3.296 2.891 0.883 1.00 23.23 H new ATOM 0 HG2 GLN A 19 4.024 0.895 1.607 1.00 55.54 H new ATOM 0 HG3 GLN A 19 2.345 0.510 1.926 1.00 55.54 H new ATOM 0 HE21 GLN A 19 1.267 -1.039 0.694 1.00 42.20 H new ATOM 0 HE22 GLN A 19 2.128 -2.084 -0.441 1.00 42.20 H new ATOM 333 N LEU A 20 -0.359 0.605 0.534 1.00 53.22 N ATOM 334 CA LEU A 20 -1.442 -0.147 -0.144 1.00 20.32 C ATOM 335 C LEU A 20 -2.715 0.708 -0.182 1.00 54.03 C ATOM 336 O LEU A 20 -3.381 0.750 -1.209 1.00 41.02 O ATOM 337 CB LEU A 20 -1.707 -1.564 0.480 1.00 22.22 C ATOM 338 CG LEU A 20 -2.749 -1.740 1.663 1.00 40.13 C ATOM 339 CD1 LEU A 20 -4.221 -1.812 1.168 1.00 51.43 C ATOM 340 CD2 LEU A 20 -2.425 -2.992 2.508 1.00 24.33 C ATOM 0 H LEU A 20 -0.052 0.204 1.420 1.00 53.22 H new ATOM 0 HA LEU A 20 -1.113 -0.347 -1.164 1.00 20.32 H new ATOM 0 HB2 LEU A 20 -2.027 -2.218 -0.331 1.00 22.22 H new ATOM 0 HB3 LEU A 20 -0.749 -1.943 0.836 1.00 22.22 H new ATOM 0 HG LEU A 20 -2.653 -0.848 2.282 1.00 40.13 H new ATOM 0 HD11 LEU A 20 -4.887 -1.933 2.023 1.00 51.43 H new ATOM 0 HD12 LEU A 20 -4.472 -0.893 0.639 1.00 51.43 H new ATOM 0 HD13 LEU A 20 -4.337 -2.661 0.495 1.00 51.43 H new ATOM 0 HD21 LEU A 20 -3.155 -3.088 3.311 1.00 24.33 H new ATOM 0 HD22 LEU A 20 -2.464 -3.878 1.875 1.00 24.33 H new ATOM 0 HD23 LEU A 20 -1.427 -2.895 2.935 1.00 24.33 H new ATOM 352 N HIS A 21 -3.042 1.379 0.959 1.00 30.41 N ATOM 353 CA HIS A 21 -4.228 2.262 1.058 1.00 1.02 C ATOM 354 C HIS A 21 -4.160 3.333 -0.035 1.00 21.24 C ATOM 355 O HIS A 21 -5.129 3.550 -0.757 1.00 32.13 O ATOM 356 CB HIS A 21 -4.339 2.920 2.468 1.00 31.31 C ATOM 357 CG HIS A 21 -5.465 3.922 2.599 1.00 1.41 C ATOM 358 ND1 HIS A 21 -6.784 3.568 2.794 1.00 51.15 N ATOM 359 CD2 HIS A 21 -5.456 5.276 2.543 1.00 21.01 C ATOM 360 CE1 HIS A 21 -7.531 4.655 2.837 1.00 33.11 C ATOM 361 NE2 HIS A 21 -6.749 5.699 2.690 1.00 51.24 N ATOM 0 H HIS A 21 -2.497 1.321 1.819 1.00 30.41 H new ATOM 0 HA HIS A 21 -5.122 1.655 0.915 1.00 1.02 H new ATOM 0 HB2 HIS A 21 -4.477 2.136 3.212 1.00 31.31 H new ATOM 0 HB3 HIS A 21 -3.397 3.417 2.700 1.00 31.31 H new ATOM 0 HD2 HIS A 21 -4.589 5.905 2.407 1.00 21.01 H new ATOM 0 HE1 HIS A 21 -8.602 4.681 2.970 1.00 33.11 H new ATOM 0 HE2 HIS A 21 -7.056 6.672 2.686 1.00 51.24 H new ATOM 370 N ASP A 22 -2.972 3.948 -0.168 1.00 64.14 N ATOM 371 CA ASP A 22 -2.695 4.955 -1.200 1.00 24.24 C ATOM 372 C ASP A 22 -2.891 4.370 -2.606 1.00 51.24 C ATOM 373 O ASP A 22 -3.576 4.970 -3.433 1.00 33.45 O ATOM 374 CB ASP A 22 -1.256 5.511 -1.056 1.00 22.23 C ATOM 375 CG ASP A 22 -1.046 6.308 0.240 1.00 74.32 C ATOM 376 OD1 ASP A 22 -0.238 5.894 1.098 1.00 35.33 O ATOM 377 OD2 ASP A 22 -1.699 7.357 0.407 1.00 21.42 O ATOM 0 H ASP A 22 -2.176 3.758 0.441 1.00 64.14 H new ATOM 0 HA ASP A 22 -3.402 5.773 -1.062 1.00 24.24 H new ATOM 0 HB2 ASP A 22 -0.548 4.683 -1.085 1.00 22.23 H new ATOM 0 HB3 ASP A 22 -1.033 6.151 -1.910 1.00 22.23 H new ATOM 382 N THR A 23 -2.326 3.166 -2.841 1.00 62.52 N ATOM 383 CA THR A 23 -2.353 2.513 -4.161 1.00 50.14 C ATOM 384 C THR A 23 -3.772 2.019 -4.523 1.00 31.02 C ATOM 385 O THR A 23 -4.110 1.926 -5.697 1.00 3.32 O ATOM 386 CB THR A 23 -1.308 1.350 -4.264 1.00 13.51 C ATOM 387 OG1 THR A 23 -0.031 1.809 -3.794 1.00 4.13 O ATOM 388 CG2 THR A 23 -1.133 0.854 -5.715 1.00 13.03 C ATOM 0 H THR A 23 -1.842 2.625 -2.124 1.00 62.52 H new ATOM 0 HA THR A 23 -2.068 3.270 -4.891 1.00 50.14 H new ATOM 0 HB THR A 23 -1.681 0.526 -3.655 1.00 13.51 H new ATOM 0 HG1 THR A 23 -0.006 1.761 -2.815 1.00 4.13 H new ATOM 0 HG21 THR A 23 -0.399 0.048 -5.738 1.00 13.03 H new ATOM 0 HG22 THR A 23 -2.088 0.487 -6.092 1.00 13.03 H new ATOM 0 HG23 THR A 23 -0.788 1.677 -6.342 1.00 13.03 H new ATOM 396 N ASN A 24 -4.603 1.743 -3.498 1.00 52.01 N ATOM 397 CA ASN A 24 -6.012 1.331 -3.693 1.00 63.25 C ATOM 398 C ASN A 24 -6.879 2.560 -4.003 1.00 32.03 C ATOM 399 O ASN A 24 -7.776 2.487 -4.833 1.00 72.34 O ATOM 400 CB ASN A 24 -6.589 0.575 -2.456 1.00 43.44 C ATOM 401 CG ASN A 24 -6.111 -0.884 -2.298 1.00 54.44 C ATOM 402 OD1 ASN A 24 -4.829 -1.158 -2.483 1.00 60.44 O flip ATOM 403 ND2 ASN A 24 -6.906 -1.767 -1.970 1.00 41.40 N flip ATOM 0 H ASN A 24 -4.322 1.798 -2.519 1.00 52.01 H new ATOM 0 HA ASN A 24 -6.032 0.639 -4.535 1.00 63.25 H new ATOM 0 HB2 ASN A 24 -6.322 1.128 -1.555 1.00 43.44 H new ATOM 0 HB3 ASN A 24 -7.677 0.579 -2.522 1.00 43.44 H new ATOM 0 HD21 ASN A 24 -7.891 -1.541 -1.831 1.00 41.40 H new ATOM 0 HD22 ASN A 24 -6.579 -2.724 -1.837 1.00 41.40 H new ATOM 410 N MET A 25 -6.600 3.686 -3.320 1.00 61.11 N ATOM 411 CA MET A 25 -7.302 4.962 -3.540 1.00 31.10 C ATOM 412 C MET A 25 -7.004 5.532 -4.933 1.00 63.31 C ATOM 413 O MET A 25 -7.914 5.990 -5.630 1.00 4.31 O ATOM 414 CB MET A 25 -6.889 5.975 -2.451 1.00 30.41 C ATOM 415 CG MET A 25 -7.394 5.627 -1.046 1.00 13.23 C ATOM 416 SD MET A 25 -9.169 5.903 -0.829 1.00 52.41 S ATOM 417 CE MET A 25 -9.327 7.664 -1.155 1.00 34.34 C ATOM 0 H MET A 25 -5.880 3.735 -2.599 1.00 61.11 H new ATOM 0 HA MET A 25 -8.375 4.777 -3.479 1.00 31.10 H new ATOM 0 HB2 MET A 25 -5.801 6.043 -2.428 1.00 30.41 H new ATOM 0 HB3 MET A 25 -7.264 6.961 -2.726 1.00 30.41 H new ATOM 0 HG2 MET A 25 -7.168 4.581 -0.836 1.00 13.23 H new ATOM 0 HG3 MET A 25 -6.849 6.224 -0.314 1.00 13.23 H new ATOM 0 HE1 MET A 25 -10.231 8.043 -0.678 1.00 34.34 H new ATOM 0 HE2 MET A 25 -8.459 8.187 -0.755 1.00 34.34 H new ATOM 0 HE3 MET A 25 -9.387 7.831 -2.230 1.00 34.34 H new ATOM 427 N GLU A 26 -5.720 5.494 -5.334 1.00 1.43 N ATOM 428 CA GLU A 26 -5.291 5.978 -6.654 1.00 52.24 C ATOM 429 C GLU A 26 -5.665 4.963 -7.743 1.00 74.24 C ATOM 430 O GLU A 26 -5.757 5.339 -8.883 1.00 50.41 O ATOM 431 CB GLU A 26 -3.772 6.302 -6.678 1.00 34.51 C ATOM 432 CG GLU A 26 -2.846 5.088 -6.557 1.00 52.02 C ATOM 433 CD GLU A 26 -1.358 5.452 -6.402 1.00 31.14 C ATOM 434 OE1 GLU A 26 -0.689 5.702 -7.424 1.00 5.50 O ATOM 435 OE2 GLU A 26 -0.851 5.494 -5.256 1.00 41.31 O ATOM 0 H GLU A 26 -4.961 5.131 -4.758 1.00 1.43 H new ATOM 0 HA GLU A 26 -5.818 6.910 -6.860 1.00 52.24 H new ATOM 0 HB2 GLU A 26 -3.542 6.823 -7.607 1.00 34.51 H new ATOM 0 HB3 GLU A 26 -3.550 6.991 -5.863 1.00 34.51 H new ATOM 0 HG2 GLU A 26 -3.155 4.491 -5.699 1.00 52.02 H new ATOM 0 HG3 GLU A 26 -2.967 4.462 -7.441 1.00 52.02 H new ATOM 442 N LEU A 27 -5.879 3.674 -7.370 1.00 1.30 N ATOM 443 CA LEU A 27 -6.460 2.660 -8.286 1.00 40.32 C ATOM 444 C LEU A 27 -7.927 3.017 -8.564 1.00 74.23 C ATOM 445 O LEU A 27 -8.360 3.027 -9.713 1.00 20.43 O ATOM 446 CB LEU A 27 -6.326 1.237 -7.660 1.00 64.02 C ATOM 447 CG LEU A 27 -6.841 -0.009 -8.490 1.00 42.02 C ATOM 448 CD1 LEU A 27 -6.103 -1.297 -8.068 1.00 35.44 C ATOM 449 CD2 LEU A 27 -8.377 -0.227 -8.371 1.00 11.03 C ATOM 0 H LEU A 27 -5.658 3.314 -6.442 1.00 1.30 H new ATOM 0 HA LEU A 27 -5.919 2.656 -9.232 1.00 40.32 H new ATOM 0 HB2 LEU A 27 -5.272 1.072 -7.436 1.00 64.02 H new ATOM 0 HB3 LEU A 27 -6.857 1.243 -6.708 1.00 64.02 H new ATOM 0 HG LEU A 27 -6.622 0.215 -9.534 1.00 42.02 H new ATOM 0 HD11 LEU A 27 -6.475 -2.138 -8.653 1.00 35.44 H new ATOM 0 HD12 LEU A 27 -5.034 -1.178 -8.244 1.00 35.44 H new ATOM 0 HD13 LEU A 27 -6.278 -1.486 -7.009 1.00 35.44 H new ATOM 0 HD21 LEU A 27 -8.668 -1.095 -8.962 1.00 11.03 H new ATOM 0 HD22 LEU A 27 -8.641 -0.394 -7.327 1.00 11.03 H new ATOM 0 HD23 LEU A 27 -8.899 0.655 -8.741 1.00 11.03 H new ATOM 461 N THR A 28 -8.669 3.310 -7.477 1.00 25.24 N ATOM 462 CA THR A 28 -10.091 3.698 -7.526 1.00 23.10 C ATOM 463 C THR A 28 -10.260 4.969 -8.382 1.00 61.41 C ATOM 464 O THR A 28 -11.157 5.056 -9.230 1.00 50.41 O ATOM 465 CB THR A 28 -10.641 3.928 -6.071 1.00 21.42 C ATOM 466 OG1 THR A 28 -10.485 2.724 -5.298 1.00 33.10 O ATOM 467 CG2 THR A 28 -12.122 4.350 -6.046 1.00 2.21 C ATOM 0 H THR A 28 -8.292 3.283 -6.530 1.00 25.24 H new ATOM 0 HA THR A 28 -10.665 2.893 -7.985 1.00 23.10 H new ATOM 0 HB THR A 28 -10.061 4.745 -5.642 1.00 21.42 H new ATOM 0 HG1 THR A 28 -9.537 2.591 -5.087 1.00 33.10 H new ATOM 0 HG21 THR A 28 -12.442 4.493 -5.014 1.00 2.21 H new ATOM 0 HG22 THR A 28 -12.244 5.283 -6.597 1.00 2.21 H new ATOM 0 HG23 THR A 28 -12.730 3.573 -6.510 1.00 2.21 H new ATOM 475 N ASP A 29 -9.330 5.916 -8.186 1.00 11.32 N ATOM 476 CA ASP A 29 -9.300 7.174 -8.931 1.00 25.25 C ATOM 477 C ASP A 29 -8.880 6.921 -10.382 1.00 53.14 C ATOM 478 O ASP A 29 -9.473 7.478 -11.292 1.00 2.40 O ATOM 479 CB ASP A 29 -8.337 8.186 -8.262 1.00 53.34 C ATOM 480 CG ASP A 29 -8.318 9.539 -8.995 1.00 24.23 C ATOM 481 OD1 ASP A 29 -7.404 9.784 -9.800 1.00 3.34 O ATOM 482 OD2 ASP A 29 -9.245 10.356 -8.776 1.00 53.43 O ATOM 0 H ASP A 29 -8.577 5.826 -7.503 1.00 11.32 H new ATOM 0 HA ASP A 29 -10.303 7.600 -8.924 1.00 25.25 H new ATOM 0 HB2 ASP A 29 -8.637 8.340 -7.225 1.00 53.34 H new ATOM 0 HB3 ASP A 29 -7.330 7.770 -8.244 1.00 53.34 H new ATOM 487 N LEU A 30 -7.868 6.048 -10.577 1.00 12.31 N ATOM 488 CA LEU A 30 -7.281 5.773 -11.911 1.00 5.21 C ATOM 489 C LEU A 30 -8.322 5.158 -12.849 1.00 61.43 C ATOM 490 O LEU A 30 -8.396 5.549 -14.003 1.00 13.10 O ATOM 491 CB LEU A 30 -5.998 4.862 -11.836 1.00 74.44 C ATOM 492 CG LEU A 30 -4.639 5.539 -12.244 1.00 2.24 C ATOM 493 CD1 LEU A 30 -4.628 5.940 -13.741 1.00 72.23 C ATOM 494 CD2 LEU A 30 -4.292 6.751 -11.333 1.00 12.15 C ATOM 0 H LEU A 30 -7.436 5.516 -9.821 1.00 12.31 H new ATOM 0 HA LEU A 30 -6.964 6.735 -12.315 1.00 5.21 H new ATOM 0 HB2 LEU A 30 -5.902 4.489 -10.816 1.00 74.44 H new ATOM 0 HB3 LEU A 30 -6.155 3.996 -12.479 1.00 74.44 H new ATOM 0 HG LEU A 30 -3.859 4.792 -12.096 1.00 2.24 H new ATOM 0 HD11 LEU A 30 -3.673 6.405 -13.986 1.00 72.23 H new ATOM 0 HD12 LEU A 30 -4.768 5.051 -14.357 1.00 72.23 H new ATOM 0 HD13 LEU A 30 -5.435 6.646 -13.934 1.00 72.23 H new ATOM 0 HD21 LEU A 30 -3.345 7.187 -11.652 1.00 12.15 H new ATOM 0 HD22 LEU A 30 -5.080 7.500 -11.408 1.00 12.15 H new ATOM 0 HD23 LEU A 30 -4.207 6.416 -10.299 1.00 12.15 H new ATOM 506 N LYS A 31 -9.120 4.201 -12.333 1.00 5.12 N ATOM 507 CA LYS A 31 -10.149 3.516 -13.135 1.00 44.54 C ATOM 508 C LYS A 31 -11.343 4.444 -13.402 1.00 14.11 C ATOM 509 O LYS A 31 -11.881 4.468 -14.523 1.00 34.32 O ATOM 510 CB LYS A 31 -10.578 2.158 -12.476 1.00 13.22 C ATOM 511 CG LYS A 31 -11.147 2.185 -11.023 1.00 50.21 C ATOM 512 CD LYS A 31 -12.661 2.540 -10.895 1.00 54.44 C ATOM 513 CE LYS A 31 -13.632 1.429 -11.365 1.00 72.51 C ATOM 514 NZ LYS A 31 -13.569 1.169 -12.828 1.00 25.42 N ATOM 0 H LYS A 31 -9.070 3.886 -11.364 1.00 5.12 H new ATOM 0 HA LYS A 31 -9.717 3.266 -14.104 1.00 44.54 H new ATOM 0 HB2 LYS A 31 -11.330 1.700 -13.119 1.00 13.22 H new ATOM 0 HB3 LYS A 31 -9.710 1.498 -12.481 1.00 13.22 H new ATOM 0 HG2 LYS A 31 -10.983 1.207 -10.570 1.00 50.21 H new ATOM 0 HG3 LYS A 31 -10.573 2.906 -10.441 1.00 50.21 H new ATOM 0 HD2 LYS A 31 -12.878 2.775 -9.853 1.00 54.44 H new ATOM 0 HD3 LYS A 31 -12.858 3.443 -11.473 1.00 54.44 H new ATOM 0 HE2 LYS A 31 -13.404 0.507 -10.830 1.00 72.51 H new ATOM 0 HE3 LYS A 31 -14.651 1.710 -11.097 1.00 72.51 H new ATOM 0 HZ1 LYS A 31 -14.453 0.719 -13.139 1.00 25.42 H new ATOM 0 HZ2 LYS A 31 -13.441 2.068 -13.335 1.00 25.42 H new ATOM 0 HZ3 LYS A 31 -12.768 0.538 -13.034 1.00 25.42 H new ATOM 528 N LEU A 32 -11.721 5.228 -12.374 1.00 32.31 N ATOM 529 CA LEU A 32 -12.861 6.153 -12.441 1.00 5.02 C ATOM 530 C LEU A 32 -12.600 7.236 -13.496 1.00 52.11 C ATOM 531 O LEU A 32 -13.377 7.389 -14.447 1.00 72.40 O ATOM 532 CB LEU A 32 -13.113 6.770 -11.040 1.00 14.23 C ATOM 533 CG LEU A 32 -14.307 7.766 -10.913 1.00 54.31 C ATOM 534 CD1 LEU A 32 -15.644 7.111 -11.333 1.00 62.12 C ATOM 535 CD2 LEU A 32 -14.386 8.339 -9.477 1.00 63.14 C ATOM 0 H LEU A 32 -11.241 5.235 -11.474 1.00 32.31 H new ATOM 0 HA LEU A 32 -13.758 5.610 -12.740 1.00 5.02 H new ATOM 0 HB2 LEU A 32 -13.274 5.955 -10.334 1.00 14.23 H new ATOM 0 HB3 LEU A 32 -12.205 7.287 -10.728 1.00 14.23 H new ATOM 0 HG LEU A 32 -14.128 8.593 -11.600 1.00 54.31 H new ATOM 0 HD11 LEU A 32 -16.452 7.836 -11.231 1.00 62.12 H new ATOM 0 HD12 LEU A 32 -15.579 6.784 -12.371 1.00 62.12 H new ATOM 0 HD13 LEU A 32 -15.845 6.251 -10.694 1.00 62.12 H new ATOM 0 HD21 LEU A 32 -15.225 9.032 -9.407 1.00 63.14 H new ATOM 0 HD22 LEU A 32 -14.529 7.524 -8.767 1.00 63.14 H new ATOM 0 HD23 LEU A 32 -13.460 8.865 -9.244 1.00 63.14 H new ATOM 547 N GLN A 33 -11.453 7.921 -13.359 1.00 73.21 N ATOM 548 CA GLN A 33 -11.060 9.001 -14.270 1.00 75.44 C ATOM 549 C GLN A 33 -10.899 8.457 -15.705 1.00 1.24 C ATOM 550 O GLN A 33 -11.435 9.039 -16.659 1.00 24.41 O ATOM 551 CB GLN A 33 -9.749 9.699 -13.790 1.00 11.44 C ATOM 552 CG GLN A 33 -8.459 8.868 -13.916 1.00 42.54 C ATOM 553 CD GLN A 33 -7.187 9.640 -13.594 1.00 24.53 C ATOM 554 OE1 GLN A 33 -6.160 8.935 -13.154 1.00 34.03 O flip ATOM 555 NE2 GLN A 33 -7.118 10.848 -13.775 1.00 54.04 N flip ATOM 0 H GLN A 33 -10.777 7.741 -12.617 1.00 73.21 H new ATOM 0 HA GLN A 33 -11.851 9.751 -14.269 1.00 75.44 H new ATOM 0 HB2 GLN A 33 -9.622 10.620 -14.359 1.00 11.44 H new ATOM 0 HB3 GLN A 33 -9.874 9.984 -12.745 1.00 11.44 H new ATOM 0 HG2 GLN A 33 -8.527 8.008 -13.250 1.00 42.54 H new ATOM 0 HG3 GLN A 33 -8.388 8.480 -14.932 1.00 42.54 H new ATOM 0 HE21 GLN A 33 -7.932 11.360 -14.116 1.00 54.04 H new ATOM 0 HE22 GLN A 33 -6.247 11.343 -13.585 1.00 54.04 H new ATOM 564 N LEU A 34 -10.225 7.287 -15.805 1.00 31.34 N ATOM 565 CA LEU A 34 -9.948 6.570 -17.060 1.00 12.30 C ATOM 566 C LEU A 34 -11.170 6.582 -17.973 1.00 73.12 C ATOM 567 O LEU A 34 -11.187 7.356 -18.952 1.00 24.45 O ATOM 568 CB LEU A 34 -9.486 5.125 -16.704 1.00 24.32 C ATOM 569 CG LEU A 34 -9.466 4.043 -17.815 1.00 23.12 C ATOM 570 CD1 LEU A 34 -8.649 4.494 -19.027 1.00 54.12 C ATOM 571 CD2 LEU A 34 -8.938 2.707 -17.241 1.00 54.55 C ATOM 0 H LEU A 34 -9.850 6.807 -14.987 1.00 31.34 H new ATOM 0 HA LEU A 34 -9.152 7.067 -17.615 1.00 12.30 H new ATOM 0 HB2 LEU A 34 -8.478 5.194 -16.295 1.00 24.32 H new ATOM 0 HB3 LEU A 34 -10.131 4.762 -15.904 1.00 24.32 H new ATOM 0 HG LEU A 34 -10.487 3.890 -18.164 1.00 23.12 H new ATOM 0 HD11 LEU A 34 -8.658 3.710 -19.784 1.00 54.12 H new ATOM 0 HD12 LEU A 34 -9.084 5.403 -19.441 1.00 54.12 H new ATOM 0 HD13 LEU A 34 -7.622 4.690 -18.721 1.00 54.12 H new ATOM 0 HD21 LEU A 34 -8.927 1.952 -18.027 1.00 54.55 H new ATOM 0 HD22 LEU A 34 -7.927 2.849 -16.860 1.00 54.55 H new ATOM 0 HD23 LEU A 34 -9.588 2.377 -16.430 1.00 54.55 H new ATOM 583 N GLU A 35 -12.217 5.858 -17.509 1.00 34.34 N ATOM 584 CA GLU A 35 -13.454 5.591 -18.257 1.00 30.03 C ATOM 585 C GLU A 35 -14.307 6.862 -18.465 1.00 24.24 C ATOM 586 O GLU A 35 -15.082 6.940 -19.420 1.00 44.22 O ATOM 587 CB GLU A 35 -14.273 4.501 -17.519 1.00 12.20 C ATOM 588 CG GLU A 35 -14.767 4.918 -16.119 1.00 23.21 C ATOM 589 CD GLU A 35 -15.435 3.781 -15.344 1.00 42.41 C ATOM 590 OE1 GLU A 35 -14.787 3.188 -14.457 1.00 42.24 O ATOM 591 OE2 GLU A 35 -16.618 3.472 -15.629 1.00 62.31 O ATOM 0 H GLU A 35 -12.218 5.436 -16.580 1.00 34.34 H new ATOM 0 HA GLU A 35 -13.175 5.239 -19.250 1.00 30.03 H new ATOM 0 HB2 GLU A 35 -15.135 4.234 -18.131 1.00 12.20 H new ATOM 0 HB3 GLU A 35 -13.660 3.605 -17.423 1.00 12.20 H new ATOM 0 HG2 GLU A 35 -13.922 5.294 -15.541 1.00 23.21 H new ATOM 0 HG3 GLU A 35 -15.474 5.741 -16.222 1.00 23.21 H new ATOM 598 N LYS A 36 -14.169 7.850 -17.552 1.00 73.02 N ATOM 599 CA LYS A 36 -14.765 9.200 -17.723 1.00 1.34 C ATOM 600 C LYS A 36 -14.046 9.992 -18.848 1.00 72.30 C ATOM 601 O LYS A 36 -14.510 11.066 -19.246 1.00 33.11 O ATOM 602 CB LYS A 36 -14.688 9.972 -16.379 1.00 53.14 C ATOM 603 CG LYS A 36 -15.594 9.394 -15.267 1.00 63.53 C ATOM 604 CD LYS A 36 -15.424 10.077 -13.881 1.00 53.55 C ATOM 605 CE LYS A 36 -15.788 11.577 -13.862 1.00 31.10 C ATOM 606 NZ LYS A 36 -14.736 12.437 -14.473 1.00 52.33 N ATOM 0 H LYS A 36 -13.647 7.739 -16.683 1.00 73.02 H new ATOM 0 HA LYS A 36 -15.809 9.087 -18.016 1.00 1.34 H new ATOM 0 HB2 LYS A 36 -13.656 9.970 -16.030 1.00 53.14 H new ATOM 0 HB3 LYS A 36 -14.963 11.012 -16.553 1.00 53.14 H new ATOM 0 HG2 LYS A 36 -16.634 9.486 -15.579 1.00 63.53 H new ATOM 0 HG3 LYS A 36 -15.385 8.329 -15.162 1.00 63.53 H new ATOM 0 HD2 LYS A 36 -16.046 9.555 -13.153 1.00 53.55 H new ATOM 0 HD3 LYS A 36 -14.390 9.962 -13.557 1.00 53.55 H new ATOM 0 HE2 LYS A 36 -16.726 11.725 -14.396 1.00 31.10 H new ATOM 0 HE3 LYS A 36 -15.955 11.892 -12.832 1.00 31.10 H new ATOM 0 HZ1 LYS A 36 -14.522 13.230 -13.835 1.00 52.33 H new ATOM 0 HZ2 LYS A 36 -13.875 11.875 -14.628 1.00 52.33 H new ATOM 0 HZ3 LYS A 36 -15.076 12.808 -15.383 1.00 52.33 H new ATOM 620 N ALA A 37 -12.896 9.439 -19.285 1.00 5.45 N ATOM 621 CA ALA A 37 -12.045 9.930 -20.402 1.00 73.32 C ATOM 622 C ALA A 37 -11.169 11.056 -19.880 1.00 4.32 C ATOM 623 O ALA A 37 -10.906 12.063 -20.550 1.00 11.11 O ATOM 624 CB ALA A 37 -12.848 10.299 -21.670 1.00 74.33 C ATOM 0 H ALA A 37 -12.513 8.599 -18.852 1.00 5.45 H new ATOM 0 HA ALA A 37 -11.402 9.119 -20.744 1.00 73.32 H new ATOM 0 HB1 ALA A 37 -12.165 10.649 -22.444 1.00 74.33 H new ATOM 0 HB2 ALA A 37 -13.384 9.421 -22.029 1.00 74.33 H new ATOM 0 HB3 ALA A 37 -13.562 11.088 -21.432 1.00 74.33 H new ATOM 630 N THR A 38 -10.660 10.817 -18.662 1.00 13.52 N ATOM 631 CA THR A 38 -9.996 11.862 -17.841 1.00 21.52 C ATOM 632 C THR A 38 -8.515 11.499 -17.596 1.00 54.13 C ATOM 633 O THR A 38 -8.190 10.321 -17.501 1.00 64.21 O ATOM 634 CB THR A 38 -10.760 12.036 -16.484 1.00 32.52 C ATOM 635 OG1 THR A 38 -12.123 12.449 -16.715 1.00 23.52 O ATOM 636 CG2 THR A 38 -10.076 13.022 -15.541 1.00 1.21 C ATOM 0 H THR A 38 -10.692 9.902 -18.213 1.00 13.52 H new ATOM 0 HA THR A 38 -10.024 12.808 -18.381 1.00 21.52 H new ATOM 0 HB THR A 38 -10.749 11.060 -15.999 1.00 32.52 H new ATOM 0 HG1 THR A 38 -12.536 12.704 -15.864 1.00 23.52 H new ATOM 0 HG21 THR A 38 -10.651 13.101 -14.618 1.00 1.21 H new ATOM 0 HG22 THR A 38 -9.070 12.669 -15.313 1.00 1.21 H new ATOM 0 HG23 THR A 38 -10.018 14.001 -16.017 1.00 1.21 H new ATOM 644 N GLN A 39 -7.629 12.520 -17.511 1.00 50.25 N ATOM 645 CA GLN A 39 -6.160 12.334 -17.433 1.00 43.15 C ATOM 646 C GLN A 39 -5.597 12.659 -16.027 1.00 20.13 C ATOM 647 O GLN A 39 -4.809 11.878 -15.470 1.00 63.43 O ATOM 648 CB GLN A 39 -5.461 13.226 -18.505 1.00 0.11 C ATOM 649 CG GLN A 39 -5.867 14.720 -18.450 1.00 42.22 C ATOM 650 CD GLN A 39 -4.919 15.644 -19.202 1.00 20.23 C ATOM 651 OE1 GLN A 39 -3.844 16.037 -18.542 1.00 25.51 O flip ATOM 652 NE2 GLN A 39 -5.124 15.962 -20.372 1.00 1.10 N flip ATOM 0 H GLN A 39 -7.914 13.499 -17.495 1.00 50.25 H new ATOM 0 HA GLN A 39 -5.952 11.282 -17.628 1.00 43.15 H new ATOM 0 HB2 GLN A 39 -4.381 13.149 -18.377 1.00 0.11 H new ATOM 0 HB3 GLN A 39 -5.693 12.834 -19.495 1.00 0.11 H new ATOM 0 HG2 GLN A 39 -6.870 14.830 -18.863 1.00 42.22 H new ATOM 0 HG3 GLN A 39 -5.916 15.035 -17.408 1.00 42.22 H new ATOM 0 HE21 GLN A 39 -5.966 15.639 -20.848 1.00 1.10 H new ATOM 0 HE22 GLN A 39 -4.452 16.549 -20.866 1.00 1.10 H new ATOM 661 N ARG A 40 -5.965 13.836 -15.480 1.00 62.41 N ATOM 662 CA ARG A 40 -5.385 14.358 -14.226 1.00 33.53 C ATOM 663 C ARG A 40 -6.098 13.747 -13.010 1.00 42.51 C ATOM 664 O ARG A 40 -7.326 13.596 -13.003 1.00 41.00 O ATOM 665 CB ARG A 40 -5.436 15.906 -14.204 1.00 21.34 C ATOM 666 CG ARG A 40 -4.916 16.556 -12.897 1.00 43.04 C ATOM 667 CD ARG A 40 -4.735 18.077 -13.021 1.00 5.44 C ATOM 668 NE ARG A 40 -3.668 18.423 -13.980 1.00 14.01 N ATOM 669 CZ ARG A 40 -3.784 19.295 -14.996 1.00 32.04 C ATOM 670 NH1 ARG A 40 -4.930 19.948 -15.206 1.00 13.42 N ATOM 671 NH2 ARG A 40 -2.745 19.513 -15.791 1.00 52.32 N ATOM 0 H ARG A 40 -6.669 14.448 -15.893 1.00 62.41 H new ATOM 0 HA ARG A 40 -4.336 14.065 -14.175 1.00 33.53 H new ATOM 0 HB2 ARG A 40 -4.850 16.287 -15.040 1.00 21.34 H new ATOM 0 HB3 ARG A 40 -6.466 16.224 -14.366 1.00 21.34 H new ATOM 0 HG2 ARG A 40 -5.614 16.342 -12.087 1.00 43.04 H new ATOM 0 HG3 ARG A 40 -3.963 16.102 -12.625 1.00 43.04 H new ATOM 0 HD2 ARG A 40 -5.673 18.530 -13.341 1.00 5.44 H new ATOM 0 HD3 ARG A 40 -4.496 18.496 -12.044 1.00 5.44 H new ATOM 0 HE ARG A 40 -2.766 17.961 -13.862 1.00 14.01 H new ATOM 0 HH11 ARG A 40 -5.729 19.787 -14.592 1.00 13.42 H new ATOM 0 HH12 ARG A 40 -5.007 20.608 -15.980 1.00 13.42 H new ATOM 0 HH21 ARG A 40 -1.867 19.020 -15.629 1.00 52.32 H new ATOM 0 HH22 ARG A 40 -2.824 20.173 -16.564 1.00 52.32 H new ATOM 685 N GLN A 41 -5.305 13.458 -11.970 1.00 5.13 N ATOM 686 CA GLN A 41 -5.665 12.547 -10.876 1.00 61.34 C ATOM 687 C GLN A 41 -5.297 13.135 -9.513 1.00 42.33 C ATOM 688 O GLN A 41 -4.457 14.030 -9.418 1.00 33.24 O ATOM 689 CB GLN A 41 -4.919 11.211 -11.119 1.00 75.21 C ATOM 690 CG GLN A 41 -3.411 11.378 -11.393 1.00 0.03 C ATOM 691 CD GLN A 41 -2.766 10.136 -12.022 1.00 12.53 C ATOM 692 OE1 GLN A 41 -2.168 9.309 -11.343 1.00 42.34 O ATOM 693 NE2 GLN A 41 -2.941 9.966 -13.328 1.00 62.34 N ATOM 0 H GLN A 41 -4.374 13.861 -11.864 1.00 5.13 H new ATOM 0 HA GLN A 41 -6.743 12.388 -10.864 1.00 61.34 H new ATOM 0 HB2 GLN A 41 -5.051 10.569 -10.248 1.00 75.21 H new ATOM 0 HB3 GLN A 41 -5.377 10.699 -11.965 1.00 75.21 H new ATOM 0 HG2 GLN A 41 -3.262 12.231 -12.055 1.00 0.03 H new ATOM 0 HG3 GLN A 41 -2.902 11.608 -10.457 1.00 0.03 H new ATOM 0 HE21 GLN A 41 -3.442 10.669 -13.871 1.00 62.34 H new ATOM 0 HE22 GLN A 41 -2.574 9.133 -13.787 1.00 62.34 H new ATOM 702 N GLU A 42 -5.903 12.572 -8.454 1.00 42.35 N ATOM 703 CA GLU A 42 -5.710 13.051 -7.067 1.00 1.41 C ATOM 704 C GLU A 42 -4.490 12.378 -6.421 1.00 64.44 C ATOM 705 O GLU A 42 -4.065 12.772 -5.333 1.00 21.03 O ATOM 706 CB GLU A 42 -7.001 12.847 -6.217 1.00 1.54 C ATOM 707 CG GLU A 42 -7.540 11.394 -6.112 1.00 72.12 C ATOM 708 CD GLU A 42 -6.854 10.495 -5.061 1.00 41.21 C ATOM 709 OE1 GLU A 42 -6.035 9.617 -5.424 1.00 51.43 O ATOM 710 OE2 GLU A 42 -7.166 10.652 -3.858 1.00 74.34 O ATOM 0 H GLU A 42 -6.537 11.777 -8.530 1.00 42.35 H new ATOM 0 HA GLU A 42 -5.513 14.123 -7.101 1.00 1.41 H new ATOM 0 HB2 GLU A 42 -6.807 13.212 -5.209 1.00 1.54 H new ATOM 0 HB3 GLU A 42 -7.788 13.473 -6.637 1.00 1.54 H new ATOM 0 HG2 GLU A 42 -8.605 11.438 -5.885 1.00 72.12 H new ATOM 0 HG3 GLU A 42 -7.441 10.919 -7.088 1.00 72.12 H new ATOM 717 N ARG A 43 -3.993 11.334 -7.120 1.00 73.33 N ATOM 718 CA ARG A 43 -2.742 10.591 -6.843 1.00 21.44 C ATOM 719 C ARG A 43 -1.626 11.539 -6.369 1.00 55.02 C ATOM 720 O ARG A 43 -0.992 11.310 -5.330 1.00 3.41 O ATOM 721 CB ARG A 43 -2.376 9.867 -8.178 1.00 23.13 C ATOM 722 CG ARG A 43 -1.263 8.790 -8.162 1.00 45.25 C ATOM 723 CD ARG A 43 0.191 9.318 -8.269 1.00 13.10 C ATOM 724 NE ARG A 43 0.749 9.754 -6.973 1.00 72.41 N ATOM 725 CZ ARG A 43 1.188 8.945 -5.996 1.00 24.11 C ATOM 726 NH1 ARG A 43 1.172 7.627 -6.133 1.00 10.42 N ATOM 727 NH2 ARG A 43 1.597 9.462 -4.851 1.00 53.02 N ATOM 0 H ARG A 43 -4.480 10.966 -7.937 1.00 73.33 H new ATOM 0 HA ARG A 43 -2.868 9.870 -6.035 1.00 21.44 H new ATOM 0 HB2 ARG A 43 -3.283 9.398 -8.559 1.00 23.13 H new ATOM 0 HB3 ARG A 43 -2.085 10.631 -8.899 1.00 23.13 H new ATOM 0 HG2 ARG A 43 -1.353 8.215 -7.240 1.00 45.25 H new ATOM 0 HG3 ARG A 43 -1.440 8.100 -8.987 1.00 45.25 H new ATOM 0 HD2 ARG A 43 0.825 8.535 -8.685 1.00 13.10 H new ATOM 0 HD3 ARG A 43 0.216 10.154 -8.968 1.00 13.10 H new ATOM 0 HE ARG A 43 0.806 10.759 -6.806 1.00 72.41 H new ATOM 0 HH11 ARG A 43 0.821 7.208 -6.994 1.00 10.42 H new ATOM 0 HH12 ARG A 43 1.511 7.032 -5.377 1.00 10.42 H new ATOM 0 HH21 ARG A 43 1.578 10.472 -4.712 1.00 53.02 H new ATOM 0 HH22 ARG A 43 1.931 8.851 -4.106 1.00 53.02 H new ATOM 741 N PHE A 44 -1.415 12.603 -7.151 1.00 55.20 N ATOM 742 CA PHE A 44 -0.474 13.682 -6.811 1.00 2.30 C ATOM 743 C PHE A 44 -0.945 14.988 -7.467 1.00 53.20 C ATOM 744 O PHE A 44 -1.695 14.969 -8.444 1.00 53.00 O ATOM 745 CB PHE A 44 0.971 13.324 -7.259 1.00 4.34 C ATOM 746 CG PHE A 44 2.070 14.092 -6.515 1.00 11.11 C ATOM 747 CD1 PHE A 44 2.690 13.538 -5.391 1.00 74.13 C ATOM 748 CD2 PHE A 44 2.492 15.354 -6.939 1.00 62.02 C ATOM 749 CE1 PHE A 44 3.688 14.222 -4.719 1.00 31.25 C ATOM 750 CE2 PHE A 44 3.489 16.034 -6.264 1.00 54.15 C ATOM 751 CZ PHE A 44 4.089 15.468 -5.158 1.00 52.31 C ATOM 0 H PHE A 44 -1.893 12.743 -8.041 1.00 55.20 H new ATOM 0 HA PHE A 44 -0.455 13.811 -5.729 1.00 2.30 H new ATOM 0 HB2 PHE A 44 1.129 12.255 -7.115 1.00 4.34 H new ATOM 0 HB3 PHE A 44 1.067 13.519 -8.327 1.00 4.34 H new ATOM 0 HD1 PHE A 44 2.386 12.562 -5.042 1.00 74.13 H new ATOM 0 HD2 PHE A 44 2.033 15.805 -7.806 1.00 62.02 H new ATOM 0 HE1 PHE A 44 4.154 13.781 -3.850 1.00 31.25 H new ATOM 0 HE2 PHE A 44 3.799 17.011 -6.604 1.00 54.15 H new ATOM 0 HZ PHE A 44 4.871 15.999 -4.636 1.00 52.31 H new TER 761 PHE A 44 ATOM 762 N ASP B 101 8.512 -18.717 22.058 1.00 51.12 N ATOM 763 CA ASP B 101 7.368 -18.038 22.663 1.00 21.23 C ATOM 764 C ASP B 101 6.989 -16.813 21.827 1.00 20.43 C ATOM 765 O ASP B 101 5.818 -16.560 21.545 1.00 34.11 O ATOM 766 CB ASP B 101 7.702 -17.610 24.114 1.00 13.14 C ATOM 767 CG ASP B 101 8.012 -18.793 25.048 1.00 41.32 C ATOM 768 OD1 ASP B 101 9.170 -19.265 25.066 1.00 24.52 O ATOM 769 OD2 ASP B 101 7.105 -19.247 25.778 1.00 3.23 O ATOM 0 HA ASP B 101 6.523 -18.726 22.689 1.00 21.23 H new ATOM 0 HB2 ASP B 101 8.559 -16.937 24.097 1.00 13.14 H new ATOM 0 HB3 ASP B 101 6.862 -17.047 24.521 1.00 13.14 H new ATOM 774 N PHE B 102 8.022 -16.064 21.448 1.00 32.32 N ATOM 775 CA PHE B 102 7.916 -14.875 20.591 1.00 41.24 C ATOM 776 C PHE B 102 8.268 -15.233 19.134 1.00 73.51 C ATOM 777 O PHE B 102 8.159 -14.395 18.231 1.00 64.25 O ATOM 778 CB PHE B 102 8.875 -13.795 21.117 1.00 43.34 C ATOM 779 CG PHE B 102 8.587 -13.319 22.544 1.00 13.15 C ATOM 780 CD1 PHE B 102 9.074 -14.018 23.653 1.00 44.44 C ATOM 781 CD2 PHE B 102 7.846 -12.159 22.775 1.00 1.10 C ATOM 782 CE1 PHE B 102 8.826 -13.572 24.939 1.00 61.50 C ATOM 783 CE2 PHE B 102 7.600 -11.713 24.055 1.00 34.44 C ATOM 784 CZ PHE B 102 8.089 -12.419 25.140 1.00 63.41 C ATOM 0 H PHE B 102 8.980 -16.268 21.732 1.00 32.32 H new ATOM 0 HA PHE B 102 6.893 -14.500 20.613 1.00 41.24 H new ATOM 0 HB2 PHE B 102 9.893 -14.183 21.077 1.00 43.34 H new ATOM 0 HB3 PHE B 102 8.834 -12.936 20.447 1.00 43.34 H new ATOM 0 HD1 PHE B 102 9.652 -14.918 23.504 1.00 44.44 H new ATOM 0 HD2 PHE B 102 7.459 -11.601 21.935 1.00 1.10 H new ATOM 0 HE1 PHE B 102 9.208 -14.124 25.785 1.00 61.50 H new ATOM 0 HE2 PHE B 102 7.025 -10.812 24.212 1.00 34.44 H new ATOM 0 HZ PHE B 102 7.895 -12.070 26.143 1.00 63.41 H new ATOM 794 N LYS B 103 8.688 -16.498 18.912 1.00 3.12 N ATOM 795 CA LYS B 103 8.981 -17.012 17.563 1.00 65.14 C ATOM 796 C LYS B 103 7.714 -16.916 16.695 1.00 2.31 C ATOM 797 O LYS B 103 7.783 -16.634 15.504 1.00 33.13 O ATOM 798 CB LYS B 103 9.534 -18.479 17.620 1.00 64.43 C ATOM 799 CG LYS B 103 8.505 -19.634 17.778 1.00 64.34 C ATOM 800 CD LYS B 103 7.560 -19.497 19.008 1.00 11.21 C ATOM 801 CE LYS B 103 7.262 -20.828 19.690 1.00 22.33 C ATOM 802 NZ LYS B 103 8.457 -21.377 20.369 1.00 23.54 N ATOM 0 H LYS B 103 8.831 -17.181 19.656 1.00 3.12 H new ATOM 0 HA LYS B 103 9.762 -16.401 17.110 1.00 65.14 H new ATOM 0 HB2 LYS B 103 10.102 -18.659 16.707 1.00 64.43 H new ATOM 0 HB3 LYS B 103 10.237 -18.540 18.451 1.00 64.43 H new ATOM 0 HG2 LYS B 103 7.898 -19.688 16.874 1.00 64.34 H new ATOM 0 HG3 LYS B 103 9.046 -20.577 17.855 1.00 64.34 H new ATOM 0 HD2 LYS B 103 8.013 -18.819 19.732 1.00 11.21 H new ATOM 0 HD3 LYS B 103 6.622 -19.042 18.688 1.00 11.21 H new ATOM 0 HE2 LYS B 103 6.461 -20.693 20.417 1.00 22.33 H new ATOM 0 HE3 LYS B 103 6.904 -21.543 18.950 1.00 22.33 H new ATOM 0 HZ1 LYS B 103 8.185 -22.208 20.932 1.00 23.54 H new ATOM 0 HZ2 LYS B 103 9.163 -21.656 19.658 1.00 23.54 H new ATOM 0 HZ3 LYS B 103 8.864 -20.653 20.995 1.00 23.54 H new ATOM 816 N LYS B 104 6.556 -17.100 17.362 1.00 15.31 N ATOM 817 CA LYS B 104 5.249 -17.033 16.728 1.00 33.51 C ATOM 818 C LYS B 104 4.916 -15.596 16.323 1.00 22.45 C ATOM 819 O LYS B 104 4.293 -15.412 15.294 1.00 20.33 O ATOM 820 CB LYS B 104 4.146 -17.627 17.649 1.00 33.53 C ATOM 821 CG LYS B 104 3.937 -16.902 19.015 1.00 43.01 C ATOM 822 CD LYS B 104 2.484 -16.392 19.237 1.00 23.31 C ATOM 823 CE LYS B 104 2.077 -15.249 18.300 1.00 24.11 C ATOM 824 NZ LYS B 104 0.677 -14.801 18.549 1.00 41.34 N ATOM 0 H LYS B 104 6.515 -17.300 18.361 1.00 15.31 H new ATOM 0 HA LYS B 104 5.283 -17.639 15.823 1.00 33.51 H new ATOM 0 HB2 LYS B 104 3.201 -17.616 17.106 1.00 33.53 H new ATOM 0 HB3 LYS B 104 4.388 -18.671 17.847 1.00 33.53 H new ATOM 0 HG2 LYS B 104 4.200 -17.585 19.823 1.00 43.01 H new ATOM 0 HG3 LYS B 104 4.623 -16.057 19.076 1.00 43.01 H new ATOM 0 HD2 LYS B 104 1.793 -17.224 19.101 1.00 23.31 H new ATOM 0 HD3 LYS B 104 2.381 -16.057 20.269 1.00 23.31 H new ATOM 0 HE2 LYS B 104 2.757 -14.408 18.436 1.00 24.11 H new ATOM 0 HE3 LYS B 104 2.176 -15.575 17.265 1.00 24.11 H new ATOM 0 HZ1 LYS B 104 0.439 -14.027 17.896 1.00 41.34 H new ATOM 0 HZ2 LYS B 104 0.025 -15.597 18.395 1.00 41.34 H new ATOM 0 HZ3 LYS B 104 0.589 -14.466 19.530 1.00 41.34 H new ATOM 838 N LEU B 105 5.331 -14.569 17.131 1.00 10.43 N ATOM 839 CA LEU B 105 5.070 -13.151 16.769 1.00 14.30 C ATOM 840 C LEU B 105 5.769 -12.855 15.438 1.00 50.44 C ATOM 841 O LEU B 105 5.202 -12.185 14.563 1.00 35.03 O ATOM 842 CB LEU B 105 5.471 -12.128 17.918 1.00 52.45 C ATOM 843 CG LEU B 105 6.946 -11.536 17.995 1.00 12.31 C ATOM 844 CD1 LEU B 105 7.248 -10.466 16.919 1.00 74.42 C ATOM 845 CD2 LEU B 105 7.244 -10.950 19.390 1.00 73.22 C ATOM 0 H LEU B 105 5.832 -14.698 18.010 1.00 10.43 H new ATOM 0 HA LEU B 105 3.996 -13.009 16.650 1.00 14.30 H new ATOM 0 HB2 LEU B 105 4.788 -11.281 17.847 1.00 52.45 H new ATOM 0 HB3 LEU B 105 5.272 -12.620 18.870 1.00 52.45 H new ATOM 0 HG LEU B 105 7.600 -12.386 17.800 1.00 12.31 H new ATOM 0 HD11 LEU B 105 8.272 -10.111 17.036 1.00 74.42 H new ATOM 0 HD12 LEU B 105 7.127 -10.903 15.928 1.00 74.42 H new ATOM 0 HD13 LEU B 105 6.558 -9.630 17.034 1.00 74.42 H new ATOM 0 HD21 LEU B 105 8.259 -10.554 19.409 1.00 73.22 H new ATOM 0 HD22 LEU B 105 6.538 -10.148 19.606 1.00 73.22 H new ATOM 0 HD23 LEU B 105 7.146 -11.733 20.142 1.00 73.22 H new ATOM 857 N TYR B 106 7.012 -13.380 15.316 1.00 63.13 N ATOM 858 CA TYR B 106 7.817 -13.261 14.095 1.00 63.04 C ATOM 859 C TYR B 106 7.059 -13.858 12.892 1.00 21.20 C ATOM 860 O TYR B 106 6.951 -13.227 11.840 1.00 10.43 O ATOM 861 CB TYR B 106 9.194 -13.954 14.288 1.00 54.30 C ATOM 862 CG TYR B 106 10.212 -13.565 13.216 1.00 20.41 C ATOM 863 CD1 TYR B 106 10.820 -12.311 13.250 1.00 34.23 C ATOM 864 CD2 TYR B 106 10.537 -14.417 12.160 1.00 75.12 C ATOM 865 CE1 TYR B 106 11.717 -11.919 12.287 1.00 41.31 C ATOM 866 CE2 TYR B 106 11.441 -14.029 11.192 1.00 61.34 C ATOM 867 CZ TYR B 106 12.023 -12.779 11.262 1.00 45.51 C ATOM 868 OH TYR B 106 12.924 -12.390 10.303 1.00 23.03 O ATOM 0 H TYR B 106 7.476 -13.895 16.064 1.00 63.13 H new ATOM 0 HA TYR B 106 7.995 -12.205 13.891 1.00 63.04 H new ATOM 0 HB2 TYR B 106 9.591 -13.695 15.270 1.00 54.30 H new ATOM 0 HB3 TYR B 106 9.056 -15.035 14.275 1.00 54.30 H new ATOM 0 HD1 TYR B 106 10.580 -11.631 14.054 1.00 34.23 H new ATOM 0 HD2 TYR B 106 10.076 -15.392 12.099 1.00 75.12 H new ATOM 0 HE1 TYR B 106 12.177 -10.943 12.336 1.00 41.31 H new ATOM 0 HE2 TYR B 106 11.692 -14.700 10.384 1.00 61.34 H new ATOM 0 HH TYR B 106 13.034 -13.110 9.647 1.00 23.03 H new ATOM 878 N GLU B 107 6.495 -15.061 13.100 1.00 24.44 N ATOM 879 CA GLU B 107 5.760 -15.800 12.067 1.00 34.24 C ATOM 880 C GLU B 107 4.470 -15.083 11.651 1.00 21.31 C ATOM 881 O GLU B 107 4.171 -15.013 10.467 1.00 31.01 O ATOM 882 CB GLU B 107 5.438 -17.224 12.579 1.00 74.24 C ATOM 883 CG GLU B 107 6.677 -18.080 12.897 1.00 4.34 C ATOM 884 CD GLU B 107 7.681 -18.194 11.729 1.00 70.00 C ATOM 885 OE1 GLU B 107 7.496 -19.070 10.855 1.00 61.54 O ATOM 886 OE2 GLU B 107 8.668 -17.421 11.687 1.00 30.52 O ATOM 0 H GLU B 107 6.539 -15.547 13.995 1.00 24.44 H new ATOM 0 HA GLU B 107 6.395 -15.859 11.183 1.00 34.24 H new ATOM 0 HB2 GLU B 107 4.826 -17.144 13.477 1.00 74.24 H new ATOM 0 HB3 GLU B 107 4.838 -17.740 11.829 1.00 74.24 H new ATOM 0 HG2 GLU B 107 7.188 -17.654 13.761 1.00 4.34 H new ATOM 0 HG3 GLU B 107 6.351 -19.081 13.181 1.00 4.34 H new ATOM 893 N GLN B 108 3.717 -14.555 12.637 1.00 4.22 N ATOM 894 CA GLN B 108 2.396 -13.937 12.388 1.00 64.41 C ATOM 895 C GLN B 108 2.529 -12.652 11.540 1.00 50.40 C ATOM 896 O GLN B 108 1.865 -12.514 10.499 1.00 42.12 O ATOM 897 CB GLN B 108 1.633 -13.610 13.714 1.00 25.35 C ATOM 898 CG GLN B 108 1.358 -14.802 14.681 1.00 55.31 C ATOM 899 CD GLN B 108 1.066 -16.141 13.997 1.00 61.12 C ATOM 900 OE1 GLN B 108 -0.083 -16.487 13.720 1.00 33.41 O ATOM 901 NE2 GLN B 108 2.115 -16.903 13.719 1.00 24.21 N ATOM 0 H GLN B 108 4.001 -14.544 13.617 1.00 4.22 H new ATOM 0 HA GLN B 108 1.814 -14.674 11.835 1.00 64.41 H new ATOM 0 HB2 GLN B 108 2.204 -12.857 14.257 1.00 25.35 H new ATOM 0 HB3 GLN B 108 0.676 -13.157 13.452 1.00 25.35 H new ATOM 0 HG2 GLN B 108 2.222 -14.926 15.334 1.00 55.31 H new ATOM 0 HG3 GLN B 108 0.511 -14.545 15.318 1.00 55.31 H new ATOM 0 HE21 GLN B 108 3.054 -16.587 13.962 1.00 24.21 H new ATOM 0 HE22 GLN B 108 1.983 -17.805 13.262 1.00 24.21 H new ATOM 910 N ILE B 109 3.401 -11.719 11.993 1.00 42.42 N ATOM 911 CA ILE B 109 3.553 -10.403 11.340 1.00 65.54 C ATOM 912 C ILE B 109 4.255 -10.541 9.971 1.00 34.11 C ATOM 913 O ILE B 109 3.916 -9.827 9.031 1.00 70.42 O ATOM 914 CB ILE B 109 4.351 -9.350 12.205 1.00 53.22 C ATOM 915 CG1 ILE B 109 3.940 -9.364 13.704 1.00 13.34 C ATOM 916 CG2 ILE B 109 4.146 -7.925 11.624 1.00 55.40 C ATOM 917 CD1 ILE B 109 4.780 -8.440 14.570 1.00 55.23 C ATOM 0 H ILE B 109 4.005 -11.855 12.804 1.00 42.42 H new ATOM 0 HA ILE B 109 2.536 -10.031 11.217 1.00 65.54 H new ATOM 0 HB ILE B 109 5.403 -9.632 12.156 1.00 53.22 H new ATOM 0 HG12 ILE B 109 2.892 -9.075 13.788 1.00 13.34 H new ATOM 0 HG13 ILE B 109 4.022 -10.382 14.086 1.00 13.34 H new ATOM 0 HG21 ILE B 109 4.699 -7.204 12.226 1.00 55.40 H new ATOM 0 HG22 ILE B 109 4.509 -7.895 10.597 1.00 55.40 H new ATOM 0 HG23 ILE B 109 3.085 -7.674 11.641 1.00 55.40 H new ATOM 0 HD11 ILE B 109 4.439 -8.500 15.603 1.00 55.23 H new ATOM 0 HD12 ILE B 109 5.826 -8.741 14.515 1.00 55.23 H new ATOM 0 HD13 ILE B 109 4.679 -7.415 14.213 1.00 55.23 H new ATOM 929 N LEU B 110 5.257 -11.444 9.880 1.00 75.34 N ATOM 930 CA LEU B 110 6.033 -11.654 8.625 1.00 22.41 C ATOM 931 C LEU B 110 5.227 -12.473 7.594 1.00 4.22 C ATOM 932 O LEU B 110 5.471 -12.368 6.384 1.00 54.15 O ATOM 933 CB LEU B 110 7.413 -12.312 8.905 1.00 1.01 C ATOM 934 CG LEU B 110 8.466 -12.221 7.745 1.00 44.12 C ATOM 935 CD1 LEU B 110 8.785 -10.752 7.377 1.00 2.30 C ATOM 936 CD2 LEU B 110 9.760 -12.999 8.080 1.00 55.02 C ATOM 0 H LEU B 110 5.551 -12.040 10.654 1.00 75.34 H new ATOM 0 HA LEU B 110 6.221 -10.670 8.196 1.00 22.41 H new ATOM 0 HB2 LEU B 110 7.840 -11.849 9.794 1.00 1.01 H new ATOM 0 HB3 LEU B 110 7.251 -13.364 9.140 1.00 1.01 H new ATOM 0 HG LEU B 110 8.014 -12.693 6.872 1.00 44.12 H new ATOM 0 HD11 LEU B 110 9.518 -10.730 6.570 1.00 2.30 H new ATOM 0 HD12 LEU B 110 7.873 -10.252 7.052 1.00 2.30 H new ATOM 0 HD13 LEU B 110 9.190 -10.238 8.249 1.00 2.30 H new ATOM 0 HD21 LEU B 110 10.463 -12.911 7.251 1.00 55.02 H new ATOM 0 HD22 LEU B 110 10.210 -12.586 8.983 1.00 55.02 H new ATOM 0 HD23 LEU B 110 9.521 -14.050 8.242 1.00 55.02 H new ATOM 948 N ALA B 111 4.272 -13.291 8.083 1.00 55.21 N ATOM 949 CA ALA B 111 3.256 -13.933 7.219 1.00 41.03 C ATOM 950 C ALA B 111 2.375 -12.852 6.580 1.00 24.02 C ATOM 951 O ALA B 111 2.088 -12.891 5.379 1.00 42.43 O ATOM 952 CB ALA B 111 2.381 -14.918 8.015 1.00 42.43 C ATOM 0 H ALA B 111 4.182 -13.523 9.072 1.00 55.21 H new ATOM 0 HA ALA B 111 3.773 -14.498 6.444 1.00 41.03 H new ATOM 0 HB1 ALA B 111 1.646 -15.371 7.350 1.00 42.43 H new ATOM 0 HB2 ALA B 111 3.010 -15.697 8.446 1.00 42.43 H new ATOM 0 HB3 ALA B 111 1.867 -14.384 8.814 1.00 42.43 H new ATOM 958 N GLU B 112 1.975 -11.871 7.414 1.00 34.23 N ATOM 959 CA GLU B 112 1.164 -10.729 6.972 1.00 13.24 C ATOM 960 C GLU B 112 1.979 -9.828 6.019 1.00 4.34 C ATOM 961 O GLU B 112 1.459 -9.357 5.021 1.00 42.11 O ATOM 962 CB GLU B 112 0.659 -9.902 8.194 1.00 41.12 C ATOM 963 CG GLU B 112 -0.474 -8.898 7.873 1.00 14.22 C ATOM 964 CD GLU B 112 -1.831 -9.574 7.610 1.00 14.34 C ATOM 965 OE1 GLU B 112 -2.002 -10.194 6.549 1.00 51.11 O ATOM 966 OE2 GLU B 112 -2.737 -9.491 8.465 1.00 44.52 O ATOM 0 H GLU B 112 2.206 -11.852 8.407 1.00 34.23 H new ATOM 0 HA GLU B 112 0.297 -11.115 6.436 1.00 13.24 H new ATOM 0 HB2 GLU B 112 0.308 -10.592 8.962 1.00 41.12 H new ATOM 0 HB3 GLU B 112 1.501 -9.355 8.618 1.00 41.12 H new ATOM 0 HG2 GLU B 112 -0.578 -8.201 8.704 1.00 14.22 H new ATOM 0 HG3 GLU B 112 -0.193 -8.311 6.999 1.00 14.22 H new ATOM 973 N ASN B 113 3.278 -9.656 6.338 1.00 64.13 N ATOM 974 CA ASN B 113 4.224 -8.785 5.598 1.00 70.11 C ATOM 975 C ASN B 113 4.478 -9.350 4.186 1.00 2.05 C ATOM 976 O ASN B 113 4.610 -8.596 3.211 1.00 14.11 O ATOM 977 CB ASN B 113 5.555 -8.684 6.393 1.00 60.30 C ATOM 978 CG ASN B 113 6.546 -7.653 5.849 1.00 53.23 C ATOM 979 OD1 ASN B 113 7.302 -7.927 4.915 1.00 13.44 O ATOM 980 ND2 ASN B 113 6.584 -6.470 6.457 1.00 21.34 N ATOM 0 H ASN B 113 3.711 -10.127 7.133 1.00 64.13 H new ATOM 0 HA ASN B 113 3.794 -7.789 5.492 1.00 70.11 H new ATOM 0 HB2 ASN B 113 5.326 -8.436 7.429 1.00 60.30 H new ATOM 0 HB3 ASN B 113 6.035 -9.663 6.398 1.00 60.30 H new ATOM 0 HD21 ASN B 113 7.251 -5.761 6.153 1.00 21.34 H new ATOM 0 HD22 ASN B 113 5.946 -6.272 7.227 1.00 21.34 H new ATOM 987 N GLU B 114 4.534 -10.700 4.114 1.00 62.33 N ATOM 988 CA GLU B 114 4.596 -11.456 2.852 1.00 63.41 C ATOM 989 C GLU B 114 3.360 -11.154 1.998 1.00 43.14 C ATOM 990 O GLU B 114 3.482 -10.762 0.830 1.00 32.53 O ATOM 991 CB GLU B 114 4.703 -12.993 3.127 1.00 25.23 C ATOM 992 CG GLU B 114 4.128 -13.883 2.002 1.00 50.02 C ATOM 993 CD GLU B 114 4.465 -15.371 2.142 1.00 44.55 C ATOM 994 OE1 GLU B 114 5.363 -15.869 1.429 1.00 41.40 O ATOM 995 OE2 GLU B 114 3.833 -16.051 2.972 1.00 72.45 O ATOM 0 H GLU B 114 4.537 -11.296 4.941 1.00 62.33 H new ATOM 0 HA GLU B 114 5.488 -11.146 2.308 1.00 63.41 H new ATOM 0 HB2 GLU B 114 5.751 -13.251 3.278 1.00 25.23 H new ATOM 0 HB3 GLU B 114 4.182 -13.221 4.057 1.00 25.23 H new ATOM 0 HG2 GLU B 114 3.044 -13.768 1.982 1.00 50.02 H new ATOM 0 HG3 GLU B 114 4.504 -13.526 1.044 1.00 50.02 H new ATOM 1002 N LYS B 115 2.170 -11.342 2.607 1.00 12.52 N ATOM 1003 CA LYS B 115 0.890 -11.096 1.932 1.00 31.24 C ATOM 1004 C LYS B 115 0.837 -9.655 1.410 1.00 52.13 C ATOM 1005 O LYS B 115 0.434 -9.412 0.278 1.00 44.31 O ATOM 1006 CB LYS B 115 -0.320 -11.324 2.879 1.00 24.03 C ATOM 1007 CG LYS B 115 -1.707 -11.133 2.187 1.00 3.05 C ATOM 1008 CD LYS B 115 -2.821 -10.658 3.150 1.00 3.13 C ATOM 1009 CE LYS B 115 -2.639 -9.193 3.591 1.00 32.41 C ATOM 1010 NZ LYS B 115 -3.637 -8.802 4.622 1.00 62.35 N ATOM 0 H LYS B 115 2.075 -11.665 3.570 1.00 12.52 H new ATOM 0 HA LYS B 115 0.824 -11.804 1.106 1.00 31.24 H new ATOM 0 HB2 LYS B 115 -0.264 -12.333 3.288 1.00 24.03 H new ATOM 0 HB3 LYS B 115 -0.246 -10.635 3.720 1.00 24.03 H new ATOM 0 HG2 LYS B 115 -1.604 -10.408 1.379 1.00 3.05 H new ATOM 0 HG3 LYS B 115 -2.010 -12.076 1.732 1.00 3.05 H new ATOM 0 HD2 LYS B 115 -3.789 -10.769 2.662 1.00 3.13 H new ATOM 0 HD3 LYS B 115 -2.833 -11.300 4.031 1.00 3.13 H new ATOM 0 HE2 LYS B 115 -1.633 -9.054 3.987 1.00 32.41 H new ATOM 0 HE3 LYS B 115 -2.734 -8.538 2.725 1.00 32.41 H new ATOM 0 HZ1 LYS B 115 -3.693 -7.765 4.675 1.00 62.35 H new ATOM 0 HZ2 LYS B 115 -4.569 -9.187 4.367 1.00 62.35 H new ATOM 0 HZ3 LYS B 115 -3.348 -9.181 5.546 1.00 62.35 H new ATOM 1024 N LEU B 116 1.306 -8.720 2.262 1.00 0.42 N ATOM 1025 CA LEU B 116 1.323 -7.283 1.971 1.00 50.34 C ATOM 1026 C LEU B 116 2.263 -6.960 0.800 1.00 13.00 C ATOM 1027 O LEU B 116 2.007 -6.028 0.043 1.00 72.43 O ATOM 1028 CB LEU B 116 1.689 -6.459 3.231 1.00 5.51 C ATOM 1029 CG LEU B 116 0.610 -6.446 4.361 1.00 73.32 C ATOM 1030 CD1 LEU B 116 1.098 -5.676 5.604 1.00 60.31 C ATOM 1031 CD2 LEU B 116 -0.736 -5.883 3.857 1.00 70.22 C ATOM 0 H LEU B 116 1.686 -8.951 3.180 1.00 0.42 H new ATOM 0 HA LEU B 116 0.315 -6.996 1.671 1.00 50.34 H new ATOM 0 HB2 LEU B 116 2.618 -6.852 3.644 1.00 5.51 H new ATOM 0 HB3 LEU B 116 1.885 -5.431 2.927 1.00 5.51 H new ATOM 0 HG LEU B 116 0.446 -7.483 4.656 1.00 73.32 H new ATOM 0 HD11 LEU B 116 0.321 -5.689 6.368 1.00 60.31 H new ATOM 0 HD12 LEU B 116 1.999 -6.149 5.995 1.00 60.31 H new ATOM 0 HD13 LEU B 116 1.320 -4.645 5.329 1.00 60.31 H new ATOM 0 HD21 LEU B 116 -1.461 -5.890 4.671 1.00 70.22 H new ATOM 0 HD22 LEU B 116 -0.594 -4.861 3.506 1.00 70.22 H new ATOM 0 HD23 LEU B 116 -1.105 -6.500 3.038 1.00 70.22 H new ATOM 1043 N LYS B 117 3.317 -7.767 0.643 1.00 33.01 N ATOM 1044 CA LYS B 117 4.298 -7.616 -0.444 1.00 11.32 C ATOM 1045 C LYS B 117 3.661 -8.001 -1.801 1.00 61.04 C ATOM 1046 O LYS B 117 3.845 -7.309 -2.818 1.00 74.40 O ATOM 1047 CB LYS B 117 5.561 -8.487 -0.126 1.00 52.43 C ATOM 1048 CG LYS B 117 6.908 -7.925 -0.634 1.00 13.14 C ATOM 1049 CD LYS B 117 7.220 -6.510 -0.073 1.00 32.55 C ATOM 1050 CE LYS B 117 7.159 -6.427 1.471 1.00 20.23 C ATOM 1051 NZ LYS B 117 8.117 -7.341 2.139 1.00 30.32 N ATOM 0 H LYS B 117 3.517 -8.548 1.268 1.00 33.01 H new ATOM 0 HA LYS B 117 4.610 -6.574 -0.518 1.00 11.32 H new ATOM 0 HB2 LYS B 117 5.627 -8.617 0.954 1.00 52.43 H new ATOM 0 HB3 LYS B 117 5.415 -9.477 -0.558 1.00 52.43 H new ATOM 0 HG2 LYS B 117 7.710 -8.607 -0.353 1.00 13.14 H new ATOM 0 HG3 LYS B 117 6.892 -7.884 -1.723 1.00 13.14 H new ATOM 0 HD2 LYS B 117 8.213 -6.208 -0.406 1.00 32.55 H new ATOM 0 HD3 LYS B 117 6.512 -5.797 -0.495 1.00 32.55 H new ATOM 0 HE2 LYS B 117 7.365 -5.403 1.783 1.00 20.23 H new ATOM 0 HE3 LYS B 117 6.148 -6.664 1.802 1.00 20.23 H new ATOM 0 HZ1 LYS B 117 7.865 -7.435 3.144 1.00 30.32 H new ATOM 0 HZ2 LYS B 117 8.080 -8.276 1.684 1.00 30.32 H new ATOM 0 HZ3 LYS B 117 9.079 -6.955 2.058 1.00 30.32 H new ATOM 1065 N ALA B 118 2.862 -9.086 -1.782 1.00 22.01 N ATOM 1066 CA ALA B 118 2.215 -9.630 -2.989 1.00 1.35 C ATOM 1067 C ALA B 118 1.005 -8.783 -3.414 1.00 73.44 C ATOM 1068 O ALA B 118 0.864 -8.460 -4.594 1.00 34.41 O ATOM 1069 CB ALA B 118 1.799 -11.090 -2.751 1.00 3.11 C ATOM 0 H ALA B 118 2.648 -9.607 -0.932 1.00 22.01 H new ATOM 0 HA ALA B 118 2.938 -9.595 -3.804 1.00 1.35 H new ATOM 0 HB1 ALA B 118 1.322 -11.483 -3.649 1.00 3.11 H new ATOM 0 HB2 ALA B 118 2.681 -11.686 -2.518 1.00 3.11 H new ATOM 0 HB3 ALA B 118 1.099 -11.137 -1.917 1.00 3.11 H new ATOM 1075 N GLN B 119 0.145 -8.424 -2.435 1.00 5.04 N ATOM 1076 CA GLN B 119 -1.079 -7.634 -2.685 1.00 34.01 C ATOM 1077 C GLN B 119 -0.729 -6.228 -3.171 1.00 30.34 C ATOM 1078 O GLN B 119 -1.451 -5.670 -3.984 1.00 1.14 O ATOM 1079 CB GLN B 119 -1.990 -7.580 -1.412 1.00 54.31 C ATOM 1080 CG GLN B 119 -1.357 -6.885 -0.187 1.00 72.23 C ATOM 1081 CD GLN B 119 -1.530 -5.367 -0.123 1.00 63.24 C ATOM 1082 OE1 GLN B 119 -2.538 -4.816 -0.558 1.00 3.00 O ATOM 1083 NE2 GLN B 119 -0.510 -4.674 0.370 1.00 65.13 N ATOM 0 H GLN B 119 0.280 -8.673 -1.455 1.00 5.04 H new ATOM 0 HA GLN B 119 -1.643 -8.133 -3.473 1.00 34.01 H new ATOM 0 HB2 GLN B 119 -2.915 -7.063 -1.667 1.00 54.31 H new ATOM 0 HB3 GLN B 119 -2.261 -8.598 -1.134 1.00 54.31 H new ATOM 0 HG2 GLN B 119 -1.786 -7.319 0.716 1.00 72.23 H new ATOM 0 HG3 GLN B 119 -0.291 -7.112 -0.174 1.00 72.23 H new ATOM 0 HE21 GLN B 119 0.314 -5.161 0.724 1.00 65.13 H new ATOM 0 HE22 GLN B 119 -0.550 -3.655 0.395 1.00 65.13 H new ATOM 1092 N LEU B 120 0.380 -5.644 -2.643 1.00 12.14 N ATOM 1093 CA LEU B 120 0.832 -4.320 -3.090 1.00 14.11 C ATOM 1094 C LEU B 120 1.296 -4.410 -4.543 1.00 55.54 C ATOM 1095 O LEU B 120 0.899 -3.593 -5.349 1.00 61.42 O ATOM 1096 CB LEU B 120 1.919 -3.706 -2.140 1.00 73.43 C ATOM 1097 CG LEU B 120 3.453 -4.011 -2.389 1.00 53.24 C ATOM 1098 CD1 LEU B 120 4.085 -3.060 -3.437 1.00 14.01 C ATOM 1099 CD2 LEU B 120 4.262 -3.957 -1.076 1.00 33.32 C ATOM 0 H LEU B 120 0.961 -6.069 -1.921 1.00 12.14 H new ATOM 0 HA LEU B 120 -0.007 -3.627 -3.040 1.00 14.11 H new ATOM 0 HB2 LEU B 120 1.796 -2.623 -2.164 1.00 73.43 H new ATOM 0 HB3 LEU B 120 1.684 -4.031 -1.126 1.00 73.43 H new ATOM 0 HG LEU B 120 3.497 -5.024 -2.789 1.00 53.24 H new ATOM 0 HD11 LEU B 120 5.137 -3.312 -3.570 1.00 14.01 H new ATOM 0 HD12 LEU B 120 3.563 -3.168 -4.388 1.00 14.01 H new ATOM 0 HD13 LEU B 120 4.000 -2.030 -3.091 1.00 14.01 H new ATOM 0 HD21 LEU B 120 5.310 -4.171 -1.285 1.00 33.32 H new ATOM 0 HD22 LEU B 120 4.176 -2.964 -0.636 1.00 33.32 H new ATOM 0 HD23 LEU B 120 3.873 -4.698 -0.378 1.00 33.32 H new ATOM 1111 N HIS B 121 2.111 -5.443 -4.869 1.00 54.44 N ATOM 1112 CA HIS B 121 2.645 -5.634 -6.236 1.00 4.41 C ATOM 1113 C HIS B 121 1.499 -5.881 -7.245 1.00 33.53 C ATOM 1114 O HIS B 121 1.560 -5.448 -8.405 1.00 11.34 O ATOM 1115 CB HIS B 121 3.660 -6.801 -6.278 1.00 42.21 C ATOM 1116 CG HIS B 121 4.280 -6.993 -7.641 1.00 21.23 C ATOM 1117 ND1 HIS B 121 3.840 -7.942 -8.542 1.00 55.31 N ATOM 1118 CD2 HIS B 121 5.246 -6.291 -8.288 1.00 0.44 C ATOM 1119 CE1 HIS B 121 4.517 -7.823 -9.669 1.00 2.41 C ATOM 1120 NE2 HIS B 121 5.370 -6.831 -9.543 1.00 3.23 N ATOM 0 H HIS B 121 2.411 -6.155 -4.203 1.00 54.44 H new ATOM 0 HA HIS B 121 3.165 -4.719 -6.521 1.00 4.41 H new ATOM 0 HB2 HIS B 121 4.449 -6.616 -5.549 1.00 42.21 H new ATOM 0 HB3 HIS B 121 3.159 -7.722 -5.979 1.00 42.21 H new ATOM 0 HD2 HIS B 121 5.811 -5.462 -7.889 1.00 0.44 H new ATOM 0 HE1 HIS B 121 4.391 -8.438 -10.548 1.00 2.41 H new ATOM 0 HE2 HIS B 121 6.020 -6.514 -10.263 1.00 3.23 H new ATOM 1129 N ASP B 122 0.462 -6.571 -6.752 1.00 71.12 N ATOM 1130 CA ASP B 122 -0.769 -6.860 -7.491 1.00 51.13 C ATOM 1131 C ASP B 122 -1.530 -5.549 -7.777 1.00 11.22 C ATOM 1132 O ASP B 122 -1.863 -5.259 -8.916 1.00 1.34 O ATOM 1133 CB ASP B 122 -1.631 -7.860 -6.672 1.00 73.00 C ATOM 1134 CG ASP B 122 -2.994 -8.160 -7.310 1.00 52.13 C ATOM 1135 OD1 ASP B 122 -3.058 -8.984 -8.246 1.00 32.05 O ATOM 1136 OD2 ASP B 122 -4.009 -7.582 -6.869 1.00 22.40 O ATOM 0 H ASP B 122 0.458 -6.952 -5.806 1.00 71.12 H new ATOM 0 HA ASP B 122 -0.533 -7.318 -8.452 1.00 51.13 H new ATOM 0 HB2 ASP B 122 -1.079 -8.793 -6.557 1.00 73.00 H new ATOM 0 HB3 ASP B 122 -1.788 -7.457 -5.671 1.00 73.00 H new ATOM 1141 N THR B 123 -1.731 -4.735 -6.733 1.00 55.20 N ATOM 1142 CA THR B 123 -2.437 -3.443 -6.835 1.00 4.21 C ATOM 1143 C THR B 123 -1.593 -2.409 -7.628 1.00 42.51 C ATOM 1144 O THR B 123 -2.138 -1.500 -8.260 1.00 12.21 O ATOM 1145 CB THR B 123 -2.776 -2.901 -5.405 1.00 63.03 C ATOM 1146 OG1 THR B 123 -3.430 -3.926 -4.651 1.00 55.41 O ATOM 1147 CG2 THR B 123 -3.690 -1.669 -5.436 1.00 51.51 C ATOM 0 H THR B 123 -1.409 -4.951 -5.789 1.00 55.20 H new ATOM 0 HA THR B 123 -3.368 -3.601 -7.380 1.00 4.21 H new ATOM 0 HB THR B 123 -1.832 -2.608 -4.946 1.00 63.03 H new ATOM 0 HG1 THR B 123 -2.759 -4.529 -4.267 1.00 55.41 H new ATOM 0 HG21 THR B 123 -3.890 -1.339 -4.417 1.00 51.51 H new ATOM 0 HG22 THR B 123 -3.200 -0.867 -5.988 1.00 51.51 H new ATOM 0 HG23 THR B 123 -4.630 -1.925 -5.925 1.00 51.51 H new ATOM 1155 N ASN B 124 -0.255 -2.588 -7.607 1.00 33.50 N ATOM 1156 CA ASN B 124 0.697 -1.720 -8.331 1.00 44.14 C ATOM 1157 C ASN B 124 0.643 -2.019 -9.834 1.00 44.12 C ATOM 1158 O ASN B 124 0.769 -1.108 -10.646 1.00 0.44 O ATOM 1159 CB ASN B 124 2.163 -1.895 -7.807 1.00 53.35 C ATOM 1160 CG ASN B 124 2.514 -1.126 -6.514 1.00 64.34 C ATOM 1161 OD1 ASN B 124 1.580 -0.990 -5.579 1.00 13.45 O flip ATOM 1162 ND2 ASN B 124 3.654 -0.683 -6.347 1.00 21.41 N flip ATOM 0 H ASN B 124 0.196 -3.340 -7.086 1.00 33.50 H new ATOM 0 HA ASN B 124 0.401 -0.687 -8.151 1.00 44.14 H new ATOM 0 HB2 ASN B 124 2.343 -2.956 -7.635 1.00 53.35 H new ATOM 0 HB3 ASN B 124 2.849 -1.578 -8.593 1.00 53.35 H new ATOM 0 HD21 ASN B 124 4.358 -0.797 -7.077 1.00 21.41 H new ATOM 0 HD22 ASN B 124 3.892 -0.203 -5.479 1.00 21.41 H new ATOM 1169 N MET B 125 0.450 -3.307 -10.203 1.00 72.32 N ATOM 1170 CA MET B 125 0.368 -3.713 -11.621 1.00 62.31 C ATOM 1171 C MET B 125 -1.040 -3.445 -12.182 1.00 50.41 C ATOM 1172 O MET B 125 -1.199 -3.292 -13.393 1.00 71.42 O ATOM 1173 CB MET B 125 0.774 -5.200 -11.845 1.00 22.02 C ATOM 1174 CG MET B 125 -0.193 -6.247 -11.282 1.00 2.22 C ATOM 1175 SD MET B 125 0.234 -7.936 -11.749 1.00 2.40 S ATOM 1176 CE MET B 125 -1.117 -8.865 -11.017 1.00 22.01 C ATOM 0 H MET B 125 0.349 -4.077 -9.541 1.00 72.32 H new ATOM 0 HA MET B 125 1.089 -3.104 -12.165 1.00 62.31 H new ATOM 0 HB2 MET B 125 0.881 -5.370 -12.916 1.00 22.02 H new ATOM 0 HB3 MET B 125 1.755 -5.361 -11.397 1.00 22.02 H new ATOM 0 HG2 MET B 125 -0.208 -6.171 -10.195 1.00 2.22 H new ATOM 0 HG3 MET B 125 -1.202 -6.025 -11.631 1.00 2.22 H new ATOM 0 HE1 MET B 125 -1.239 -9.809 -11.548 1.00 22.01 H new ATOM 0 HE2 MET B 125 -0.895 -9.064 -9.969 1.00 22.01 H new ATOM 0 HE3 MET B 125 -2.038 -8.286 -11.089 1.00 22.01 H new ATOM 1186 N GLU B 126 -2.060 -3.406 -11.293 1.00 13.51 N ATOM 1187 CA GLU B 126 -3.421 -2.955 -11.659 1.00 45.03 C ATOM 1188 C GLU B 126 -3.394 -1.449 -11.944 1.00 33.52 C ATOM 1189 O GLU B 126 -4.004 -0.973 -12.887 1.00 13.41 O ATOM 1190 CB GLU B 126 -4.436 -3.251 -10.529 1.00 52.25 C ATOM 1191 CG GLU B 126 -4.628 -4.735 -10.196 1.00 21.35 C ATOM 1192 CD GLU B 126 -5.264 -5.550 -11.332 1.00 14.01 C ATOM 1193 OE1 GLU B 126 -4.527 -6.188 -12.118 1.00 31.11 O ATOM 1194 OE2 GLU B 126 -6.508 -5.561 -11.442 1.00 52.25 O ATOM 0 H GLU B 126 -1.965 -3.682 -10.316 1.00 13.51 H new ATOM 0 HA GLU B 126 -3.737 -3.501 -12.548 1.00 45.03 H new ATOM 0 HB2 GLU B 126 -4.113 -2.732 -9.627 1.00 52.25 H new ATOM 0 HB3 GLU B 126 -5.401 -2.830 -10.810 1.00 52.25 H new ATOM 0 HG2 GLU B 126 -3.660 -5.170 -9.948 1.00 21.35 H new ATOM 0 HG3 GLU B 126 -5.253 -4.820 -9.307 1.00 21.35 H new ATOM 1201 N LEU B 127 -2.658 -0.728 -11.093 1.00 41.31 N ATOM 1202 CA LEU B 127 -2.371 0.705 -11.258 1.00 44.54 C ATOM 1203 C LEU B 127 -1.637 0.962 -12.595 1.00 43.30 C ATOM 1204 O LEU B 127 -1.980 1.890 -13.333 1.00 41.23 O ATOM 1205 CB LEU B 127 -1.518 1.180 -10.051 1.00 33.41 C ATOM 1206 CG LEU B 127 -1.012 2.654 -10.068 1.00 52.32 C ATOM 1207 CD1 LEU B 127 -2.182 3.658 -9.976 1.00 55.32 C ATOM 1208 CD2 LEU B 127 0.030 2.879 -8.946 1.00 24.01 C ATOM 0 H LEU B 127 -2.236 -1.128 -10.255 1.00 41.31 H new ATOM 0 HA LEU B 127 -3.303 1.270 -11.286 1.00 44.54 H new ATOM 0 HB2 LEU B 127 -2.107 1.036 -9.145 1.00 33.41 H new ATOM 0 HB3 LEU B 127 -0.649 0.526 -9.974 1.00 33.41 H new ATOM 0 HG LEU B 127 -0.521 2.835 -11.024 1.00 52.32 H new ATOM 0 HD11 LEU B 127 -1.791 4.675 -9.991 1.00 55.32 H new ATOM 0 HD12 LEU B 127 -2.852 3.515 -10.824 1.00 55.32 H new ATOM 0 HD13 LEU B 127 -2.730 3.494 -9.048 1.00 55.32 H new ATOM 0 HD21 LEU B 127 0.374 3.913 -8.971 1.00 24.01 H new ATOM 0 HD22 LEU B 127 -0.427 2.672 -7.978 1.00 24.01 H new ATOM 0 HD23 LEU B 127 0.878 2.211 -9.098 1.00 24.01 H new ATOM 1220 N THR B 128 -0.650 0.094 -12.900 1.00 74.12 N ATOM 1221 CA THR B 128 0.125 0.135 -14.160 1.00 73.04 C ATOM 1222 C THR B 128 -0.795 -0.135 -15.378 1.00 75.33 C ATOM 1223 O THR B 128 -0.664 0.503 -16.429 1.00 72.33 O ATOM 1224 CB THR B 128 1.297 -0.907 -14.106 1.00 54.14 C ATOM 1225 OG1 THR B 128 2.133 -0.625 -12.970 1.00 63.33 O ATOM 1226 CG2 THR B 128 2.164 -0.905 -15.382 1.00 42.23 C ATOM 0 H THR B 128 -0.366 -0.661 -12.275 1.00 74.12 H new ATOM 0 HA THR B 128 0.551 1.132 -14.275 1.00 73.04 H new ATOM 0 HB THR B 128 0.843 -1.894 -14.024 1.00 54.14 H new ATOM 0 HG1 THR B 128 1.669 -0.890 -12.149 1.00 63.33 H new ATOM 0 HG21 THR B 128 2.957 -1.646 -15.284 1.00 42.23 H new ATOM 0 HG22 THR B 128 1.543 -1.149 -16.244 1.00 42.23 H new ATOM 0 HG23 THR B 128 2.605 0.082 -15.521 1.00 42.23 H new ATOM 1234 N ASP B 129 -1.750 -1.056 -15.175 1.00 61.24 N ATOM 1235 CA ASP B 129 -2.774 -1.434 -16.166 1.00 43.22 C ATOM 1236 C ASP B 129 -3.681 -0.232 -16.488 1.00 32.35 C ATOM 1237 O ASP B 129 -3.976 0.048 -17.651 1.00 45.53 O ATOM 1238 CB ASP B 129 -3.596 -2.627 -15.593 1.00 12.31 C ATOM 1239 CG ASP B 129 -4.800 -3.050 -16.451 1.00 2.34 C ATOM 1240 OD1 ASP B 129 -5.934 -2.606 -16.171 1.00 54.42 O ATOM 1241 OD2 ASP B 129 -4.624 -3.857 -17.383 1.00 14.14 O ATOM 0 H ASP B 129 -1.835 -1.571 -14.299 1.00 61.24 H new ATOM 0 HA ASP B 129 -2.300 -1.739 -17.099 1.00 43.22 H new ATOM 0 HB2 ASP B 129 -2.933 -3.484 -15.475 1.00 12.31 H new ATOM 0 HB3 ASP B 129 -3.952 -2.360 -14.598 1.00 12.31 H new ATOM 1246 N LEU B 130 -4.067 0.500 -15.432 1.00 54.04 N ATOM 1247 CA LEU B 130 -5.012 1.627 -15.528 1.00 4.23 C ATOM 1248 C LEU B 130 -4.353 2.877 -16.144 1.00 52.21 C ATOM 1249 O LEU B 130 -5.018 3.612 -16.875 1.00 42.04 O ATOM 1250 CB LEU B 130 -5.602 1.965 -14.135 1.00 14.33 C ATOM 1251 CG LEU B 130 -6.462 0.849 -13.465 1.00 51.21 C ATOM 1252 CD1 LEU B 130 -6.898 1.261 -12.047 1.00 10.42 C ATOM 1253 CD2 LEU B 130 -7.679 0.464 -14.339 1.00 34.32 C ATOM 0 H LEU B 130 -3.733 0.328 -14.484 1.00 54.04 H new ATOM 0 HA LEU B 130 -5.820 1.317 -16.191 1.00 4.23 H new ATOM 0 HB2 LEU B 130 -4.779 2.213 -13.465 1.00 14.33 H new ATOM 0 HB3 LEU B 130 -6.216 2.861 -14.231 1.00 14.33 H new ATOM 0 HG LEU B 130 -5.835 -0.038 -13.376 1.00 51.21 H new ATOM 0 HD11 LEU B 130 -7.496 0.464 -11.604 1.00 10.42 H new ATOM 0 HD12 LEU B 130 -6.016 1.437 -11.432 1.00 10.42 H new ATOM 0 HD13 LEU B 130 -7.492 2.174 -12.100 1.00 10.42 H new ATOM 0 HD21 LEU B 130 -8.254 -0.316 -13.839 1.00 34.32 H new ATOM 0 HD22 LEU B 130 -8.310 1.340 -14.490 1.00 34.32 H new ATOM 0 HD23 LEU B 130 -7.332 0.096 -15.305 1.00 34.32 H new ATOM 1265 N LYS B 131 -3.052 3.128 -15.834 1.00 5.44 N ATOM 1266 CA LYS B 131 -2.324 4.302 -16.385 1.00 2.11 C ATOM 1267 C LYS B 131 -1.917 4.066 -17.854 1.00 41.23 C ATOM 1268 O LYS B 131 -1.779 5.022 -18.630 1.00 34.43 O ATOM 1269 CB LYS B 131 -1.120 4.741 -15.468 1.00 43.42 C ATOM 1270 CG LYS B 131 0.019 3.707 -15.221 1.00 62.45 C ATOM 1271 CD LYS B 131 0.996 3.519 -16.414 1.00 70.42 C ATOM 1272 CE LYS B 131 1.754 4.799 -16.792 1.00 23.42 C ATOM 1273 NZ LYS B 131 2.482 4.632 -18.074 1.00 5.04 N ATOM 0 H LYS B 131 -2.493 2.541 -15.214 1.00 5.44 H new ATOM 0 HA LYS B 131 -3.011 5.149 -16.385 1.00 2.11 H new ATOM 0 HB2 LYS B 131 -0.673 5.633 -15.906 1.00 43.42 H new ATOM 0 HB3 LYS B 131 -1.525 5.031 -14.499 1.00 43.42 H new ATOM 0 HG2 LYS B 131 0.591 4.019 -14.347 1.00 62.45 H new ATOM 0 HG3 LYS B 131 -0.430 2.743 -14.981 1.00 62.45 H new ATOM 0 HD2 LYS B 131 1.716 2.740 -16.164 1.00 70.42 H new ATOM 0 HD3 LYS B 131 0.435 3.169 -17.281 1.00 70.42 H new ATOM 0 HE2 LYS B 131 1.053 5.629 -16.874 1.00 23.42 H new ATOM 0 HE3 LYS B 131 2.459 5.055 -16.001 1.00 23.42 H new ATOM 0 HZ1 LYS B 131 3.392 5.134 -18.025 1.00 5.04 H new ATOM 0 HZ2 LYS B 131 2.653 3.621 -18.247 1.00 5.04 H new ATOM 0 HZ3 LYS B 131 1.912 5.024 -18.850 1.00 5.04 H new ATOM 1287 N LEU B 132 -1.735 2.778 -18.213 1.00 65.11 N ATOM 1288 CA LEU B 132 -1.542 2.340 -19.608 1.00 5.32 C ATOM 1289 C LEU B 132 -2.816 2.651 -20.410 1.00 32.23 C ATOM 1290 O LEU B 132 -2.770 3.270 -21.473 1.00 54.40 O ATOM 1291 CB LEU B 132 -1.223 0.820 -19.650 1.00 63.15 C ATOM 1292 CG LEU B 132 -1.129 0.162 -21.065 1.00 21.12 C ATOM 1293 CD1 LEU B 132 -0.002 0.783 -21.927 1.00 14.22 C ATOM 1294 CD2 LEU B 132 -0.970 -1.369 -20.944 1.00 12.03 C ATOM 0 H LEU B 132 -1.718 2.012 -17.540 1.00 65.11 H new ATOM 0 HA LEU B 132 -0.701 2.874 -20.051 1.00 5.32 H new ATOM 0 HB2 LEU B 132 -0.276 0.656 -19.135 1.00 63.15 H new ATOM 0 HB3 LEU B 132 -1.990 0.295 -19.081 1.00 63.15 H new ATOM 0 HG LEU B 132 -2.065 0.368 -21.584 1.00 21.12 H new ATOM 0 HD11 LEU B 132 0.024 0.293 -22.900 1.00 14.22 H new ATOM 0 HD12 LEU B 132 -0.192 1.848 -22.062 1.00 14.22 H new ATOM 0 HD13 LEU B 132 0.956 0.646 -21.426 1.00 14.22 H new ATOM 0 HD21 LEU B 132 -0.906 -1.808 -21.940 1.00 12.03 H new ATOM 0 HD22 LEU B 132 -0.061 -1.598 -20.388 1.00 12.03 H new ATOM 0 HD23 LEU B 132 -1.830 -1.784 -20.419 1.00 12.03 H new ATOM 1306 N GLN B 133 -3.959 2.244 -19.848 1.00 50.11 N ATOM 1307 CA GLN B 133 -5.272 2.530 -20.427 1.00 73.50 C ATOM 1308 C GLN B 133 -5.562 4.047 -20.419 1.00 32.03 C ATOM 1309 O GLN B 133 -6.268 4.532 -21.293 1.00 21.41 O ATOM 1310 CB GLN B 133 -6.382 1.782 -19.655 1.00 62.03 C ATOM 1311 CG GLN B 133 -6.326 0.250 -19.736 1.00 55.41 C ATOM 1312 CD GLN B 133 -7.456 -0.400 -18.940 1.00 33.11 C ATOM 1313 OE1 GLN B 133 -7.242 -0.596 -17.653 1.00 11.32 O flip ATOM 1314 NE2 GLN B 133 -8.533 -0.679 -19.469 1.00 13.43 N flip ATOM 0 H GLN B 133 -3.998 1.708 -18.981 1.00 50.11 H new ATOM 0 HA GLN B 133 -5.262 2.183 -21.460 1.00 73.50 H new ATOM 0 HB2 GLN B 133 -6.332 2.075 -18.606 1.00 62.03 H new ATOM 0 HB3 GLN B 133 -7.349 2.113 -20.033 1.00 62.03 H new ATOM 0 HG2 GLN B 133 -6.389 -0.062 -20.779 1.00 55.41 H new ATOM 0 HG3 GLN B 133 -5.366 -0.100 -19.357 1.00 55.41 H new ATOM 0 HE21 GLN B 133 -8.669 -0.516 -20.467 1.00 13.43 H new ATOM 0 HE22 GLN B 133 -9.289 -1.073 -18.909 1.00 13.43 H new ATOM 1323 N LEU B 134 -5.010 4.770 -19.418 1.00 33.52 N ATOM 1324 CA LEU B 134 -5.244 6.222 -19.212 1.00 63.33 C ATOM 1325 C LEU B 134 -4.768 7.012 -20.435 1.00 30.31 C ATOM 1326 O LEU B 134 -5.493 7.850 -20.991 1.00 64.43 O ATOM 1327 CB LEU B 134 -4.475 6.713 -17.951 1.00 43.33 C ATOM 1328 CG LEU B 134 -4.851 8.121 -17.402 1.00 43.54 C ATOM 1329 CD1 LEU B 134 -6.265 8.105 -16.796 1.00 41.34 C ATOM 1330 CD2 LEU B 134 -3.805 8.618 -16.376 1.00 11.03 C ATOM 0 H LEU B 134 -4.384 4.361 -18.724 1.00 33.52 H new ATOM 0 HA LEU B 134 -6.313 6.385 -19.071 1.00 63.33 H new ATOM 0 HB2 LEU B 134 -4.630 5.985 -17.154 1.00 43.33 H new ATOM 0 HB3 LEU B 134 -3.410 6.712 -18.181 1.00 43.33 H new ATOM 0 HG LEU B 134 -4.849 8.823 -18.236 1.00 43.54 H new ATOM 0 HD11 LEU B 134 -6.510 9.097 -16.418 1.00 41.34 H new ATOM 0 HD12 LEU B 134 -6.986 7.821 -17.562 1.00 41.34 H new ATOM 0 HD13 LEU B 134 -6.302 7.386 -15.978 1.00 41.34 H new ATOM 0 HD21 LEU B 134 -4.094 9.603 -16.010 1.00 11.03 H new ATOM 0 HD22 LEU B 134 -3.756 7.920 -15.540 1.00 11.03 H new ATOM 0 HD23 LEU B 134 -2.828 8.681 -16.854 1.00 11.03 H new ATOM 1342 N GLU B 135 -3.523 6.709 -20.840 1.00 44.40 N ATOM 1343 CA GLU B 135 -2.899 7.311 -22.023 1.00 71.44 C ATOM 1344 C GLU B 135 -3.556 6.806 -23.324 1.00 3.14 C ATOM 1345 O GLU B 135 -3.626 7.546 -24.309 1.00 10.54 O ATOM 1346 CB GLU B 135 -1.356 7.095 -21.988 1.00 4.43 C ATOM 1347 CG GLU B 135 -0.899 5.647 -21.771 1.00 55.00 C ATOM 1348 CD GLU B 135 0.566 5.530 -21.328 1.00 54.03 C ATOM 1349 OE1 GLU B 135 0.854 5.762 -20.132 1.00 71.51 O ATOM 1350 OE2 GLU B 135 1.438 5.210 -22.162 1.00 32.52 O ATOM 0 H GLU B 135 -2.924 6.040 -20.355 1.00 44.40 H new ATOM 0 HA GLU B 135 -3.069 8.387 -22.005 1.00 71.44 H new ATOM 0 HB2 GLU B 135 -0.935 7.454 -22.927 1.00 4.43 H new ATOM 0 HB3 GLU B 135 -0.938 7.713 -21.194 1.00 4.43 H new ATOM 0 HG2 GLU B 135 -1.536 5.181 -21.019 1.00 55.00 H new ATOM 0 HG3 GLU B 135 -1.037 5.088 -22.696 1.00 55.00 H new ATOM 1357 N LYS B 136 -4.080 5.569 -23.308 1.00 53.10 N ATOM 1358 CA LYS B 136 -4.848 5.013 -24.449 1.00 72.03 C ATOM 1359 C LYS B 136 -6.252 5.657 -24.593 1.00 54.00 C ATOM 1360 O LYS B 136 -6.769 5.753 -25.710 1.00 52.22 O ATOM 1361 CB LYS B 136 -4.984 3.484 -24.294 1.00 1.01 C ATOM 1362 CG LYS B 136 -3.649 2.716 -24.406 1.00 52.30 C ATOM 1363 CD LYS B 136 -3.803 1.205 -24.123 1.00 33.23 C ATOM 1364 CE LYS B 136 -4.864 0.547 -25.016 1.00 64.34 C ATOM 1365 NZ LYS B 136 -4.905 -0.921 -24.835 1.00 1.43 N ATOM 0 H LYS B 136 -3.989 4.929 -22.519 1.00 53.10 H new ATOM 0 HA LYS B 136 -4.292 5.248 -25.357 1.00 72.03 H new ATOM 0 HB2 LYS B 136 -5.435 3.267 -23.326 1.00 1.01 H new ATOM 0 HB3 LYS B 136 -5.669 3.112 -25.056 1.00 1.01 H new ATOM 0 HG2 LYS B 136 -3.238 2.854 -25.406 1.00 52.30 H new ATOM 0 HG3 LYS B 136 -2.930 3.141 -23.705 1.00 52.30 H new ATOM 0 HD2 LYS B 136 -2.844 0.710 -24.277 1.00 33.23 H new ATOM 0 HD3 LYS B 136 -4.072 1.060 -23.077 1.00 33.23 H new ATOM 0 HE2 LYS B 136 -5.843 0.968 -24.787 1.00 64.34 H new ATOM 0 HE3 LYS B 136 -4.654 0.778 -26.060 1.00 64.34 H new ATOM 0 HZ1 LYS B 136 -5.634 -1.327 -25.456 1.00 1.43 H new ATOM 0 HZ2 LYS B 136 -3.979 -1.327 -25.078 1.00 1.43 H new ATOM 0 HZ3 LYS B 136 -5.131 -1.142 -23.844 1.00 1.43 H new ATOM 1379 N ALA B 137 -6.859 6.080 -23.471 1.00 4.31 N ATOM 1380 CA ALA B 137 -8.230 6.640 -23.463 1.00 42.41 C ATOM 1381 C ALA B 137 -8.203 8.100 -23.924 1.00 12.12 C ATOM 1382 O ALA B 137 -8.725 8.444 -24.994 1.00 51.21 O ATOM 1383 CB ALA B 137 -8.852 6.507 -22.061 1.00 62.03 C ATOM 0 H ALA B 137 -6.422 6.046 -22.550 1.00 4.31 H new ATOM 0 HA ALA B 137 -8.851 6.077 -24.159 1.00 42.41 H new ATOM 0 HB1 ALA B 137 -9.860 6.922 -22.069 1.00 62.03 H new ATOM 0 HB2 ALA B 137 -8.896 5.455 -21.781 1.00 62.03 H new ATOM 0 HB3 ALA B 137 -8.242 7.050 -21.339 1.00 62.03 H new ATOM 1389 N THR B 138 -7.564 8.946 -23.107 1.00 70.45 N ATOM 1390 CA THR B 138 -7.374 10.370 -23.407 1.00 14.02 C ATOM 1391 C THR B 138 -5.984 10.572 -24.065 1.00 3.41 C ATOM 1392 O THR B 138 -5.898 10.619 -25.294 1.00 42.50 O ATOM 1393 CB THR B 138 -7.601 11.276 -22.129 1.00 73.32 C ATOM 1394 OG1 THR B 138 -6.975 12.556 -22.295 1.00 64.21 O ATOM 1395 CG2 THR B 138 -7.115 10.625 -20.820 1.00 22.04 C ATOM 0 H THR B 138 -7.162 8.660 -22.214 1.00 70.45 H new ATOM 0 HA THR B 138 -8.131 10.695 -24.121 1.00 14.02 H new ATOM 0 HB THR B 138 -8.680 11.400 -22.040 1.00 73.32 H new ATOM 0 HG1 THR B 138 -6.047 12.509 -21.985 1.00 64.21 H new ATOM 0 HG21 THR B 138 -7.302 11.301 -19.986 1.00 22.04 H new ATOM 0 HG22 THR B 138 -7.652 9.691 -20.657 1.00 22.04 H new ATOM 0 HG23 THR B 138 -6.046 10.422 -20.890 1.00 22.04 H new ATOM 1403 N GLN B 139 -4.912 10.620 -23.245 1.00 54.00 N ATOM 1404 CA GLN B 139 -3.505 10.795 -23.687 1.00 33.11 C ATOM 1405 C GLN B 139 -2.560 10.811 -22.464 1.00 51.11 C ATOM 1406 O GLN B 139 -1.377 10.477 -22.595 1.00 54.41 O ATOM 1407 CB GLN B 139 -3.276 12.056 -24.602 1.00 11.12 C ATOM 1408 CG GLN B 139 -3.961 13.385 -24.179 1.00 10.20 C ATOM 1409 CD GLN B 139 -3.485 13.981 -22.856 1.00 62.35 C ATOM 1410 OE1 GLN B 139 -4.213 13.717 -21.788 1.00 74.33 O flip ATOM 1411 NE2 GLN B 139 -2.491 14.697 -22.800 1.00 11.53 N flip ATOM 0 H GLN B 139 -5.000 10.536 -22.232 1.00 54.00 H new ATOM 0 HA GLN B 139 -3.269 9.937 -24.316 1.00 33.11 H new ATOM 0 HB2 GLN B 139 -2.203 12.236 -24.664 1.00 11.12 H new ATOM 0 HB3 GLN B 139 -3.616 11.808 -25.607 1.00 11.12 H new ATOM 0 HG2 GLN B 139 -3.802 14.121 -24.967 1.00 10.20 H new ATOM 0 HG3 GLN B 139 -5.036 13.214 -24.114 1.00 10.20 H new ATOM 0 HE21 GLN B 139 -1.948 14.883 -23.643 1.00 11.53 H new ATOM 0 HE22 GLN B 139 -2.207 15.107 -21.910 1.00 11.53 H new ATOM 1420 N ARG B 140 -3.114 11.225 -21.289 1.00 43.41 N ATOM 1421 CA ARG B 140 -2.396 11.304 -19.981 1.00 31.15 C ATOM 1422 C ARG B 140 -1.357 12.452 -19.989 1.00 53.51 C ATOM 1423 O ARG B 140 -0.619 12.608 -20.962 1.00 31.52 O ATOM 1424 CB ARG B 140 -1.725 9.936 -19.609 1.00 41.35 C ATOM 1425 CG ARG B 140 -0.695 9.982 -18.448 1.00 53.22 C ATOM 1426 CD ARG B 140 0.145 8.685 -18.336 1.00 72.44 C ATOM 1427 NE ARG B 140 1.346 8.859 -17.485 1.00 73.30 N ATOM 1428 CZ ARG B 140 2.562 8.327 -17.732 1.00 13.41 C ATOM 1429 NH1 ARG B 140 2.777 7.575 -18.813 1.00 73.31 N ATOM 1430 NH2 ARG B 140 3.564 8.536 -16.877 1.00 15.13 N ATOM 0 H ARG B 140 -4.089 11.518 -21.222 1.00 43.41 H new ATOM 0 HA ARG B 140 -3.136 11.524 -19.211 1.00 31.15 H new ATOM 0 HB2 ARG B 140 -2.510 9.228 -19.345 1.00 41.35 H new ATOM 0 HB3 ARG B 140 -1.227 9.544 -20.496 1.00 41.35 H new ATOM 0 HG2 ARG B 140 -0.027 10.830 -18.595 1.00 53.22 H new ATOM 0 HG3 ARG B 140 -1.221 10.150 -17.508 1.00 53.22 H new ATOM 0 HD2 ARG B 140 -0.475 7.888 -17.925 1.00 72.44 H new ATOM 0 HD3 ARG B 140 0.452 8.368 -19.332 1.00 72.44 H new ATOM 0 HE ARG B 140 1.246 9.427 -16.644 1.00 73.30 H new ATOM 0 HH11 ARG B 140 2.016 7.394 -19.468 1.00 73.31 H new ATOM 0 HH12 ARG B 140 3.702 7.181 -18.984 1.00 73.31 H new ATOM 0 HH21 ARG B 140 3.411 9.097 -16.039 1.00 15.13 H new ATOM 0 HH22 ARG B 140 4.484 8.135 -17.061 1.00 15.13 H new ATOM 1444 N GLN B 141 -1.300 13.258 -18.898 1.00 31.15 N ATOM 1445 CA GLN B 141 -0.275 14.325 -18.759 1.00 64.31 C ATOM 1446 C GLN B 141 1.096 13.694 -18.471 1.00 11.22 C ATOM 1447 O GLN B 141 1.185 12.604 -17.900 1.00 33.00 O ATOM 1448 CB GLN B 141 -0.619 15.385 -17.660 1.00 24.54 C ATOM 1449 CG GLN B 141 -0.628 14.886 -16.192 1.00 4.14 C ATOM 1450 CD GLN B 141 -1.796 13.958 -15.853 1.00 12.22 C ATOM 1451 OE1 GLN B 141 -2.866 14.063 -16.441 1.00 52.51 O ATOM 1452 NE2 GLN B 141 -1.610 13.067 -14.890 1.00 35.33 N ATOM 0 H GLN B 141 -1.944 13.191 -18.110 1.00 31.15 H new ATOM 0 HA GLN B 141 -0.254 14.863 -19.707 1.00 64.31 H new ATOM 0 HB2 GLN B 141 0.099 16.201 -17.738 1.00 24.54 H new ATOM 0 HB3 GLN B 141 -1.601 15.802 -17.884 1.00 24.54 H new ATOM 0 HG2 GLN B 141 0.307 14.363 -15.992 1.00 4.14 H new ATOM 0 HG3 GLN B 141 -0.659 15.749 -15.527 1.00 4.14 H new ATOM 0 HE21 GLN B 141 -0.707 13.005 -14.420 1.00 35.33 H new ATOM 0 HE22 GLN B 141 -2.370 12.443 -14.619 1.00 35.33 H new ATOM 1461 N GLU B 142 2.152 14.406 -18.863 1.00 65.33 N ATOM 1462 CA GLU B 142 3.546 13.932 -18.786 1.00 34.12 C ATOM 1463 C GLU B 142 4.322 14.738 -17.737 1.00 50.52 C ATOM 1464 O GLU B 142 5.018 15.712 -18.048 1.00 30.11 O ATOM 1465 CB GLU B 142 4.222 13.966 -20.202 1.00 2.02 C ATOM 1466 CG GLU B 142 3.628 14.978 -21.205 1.00 74.22 C ATOM 1467 CD GLU B 142 3.786 16.455 -20.801 1.00 71.32 C ATOM 1468 OE1 GLU B 142 2.857 17.024 -20.182 1.00 14.33 O ATOM 1469 OE2 GLU B 142 4.831 17.060 -21.107 1.00 73.23 O ATOM 0 H GLU B 142 2.068 15.346 -19.251 1.00 65.33 H new ATOM 0 HA GLU B 142 3.557 12.891 -18.462 1.00 34.12 H new ATOM 0 HB2 GLU B 142 5.281 14.190 -20.073 1.00 2.02 H new ATOM 0 HB3 GLU B 142 4.157 12.969 -20.639 1.00 2.02 H new ATOM 0 HG2 GLU B 142 4.103 14.828 -22.175 1.00 74.22 H new ATOM 0 HG3 GLU B 142 2.567 14.762 -21.332 1.00 74.22 H new ATOM 1476 N ARG B 143 4.122 14.340 -16.477 1.00 3.54 N ATOM 1477 CA ARG B 143 4.813 14.931 -15.317 1.00 11.11 C ATOM 1478 C ARG B 143 6.347 14.765 -15.454 1.00 1.13 C ATOM 1479 O ARG B 143 7.104 15.719 -15.243 1.00 54.53 O ATOM 1480 CB ARG B 143 4.318 14.282 -14.001 1.00 22.14 C ATOM 1481 CG ARG B 143 2.822 14.518 -13.685 1.00 53.42 C ATOM 1482 CD ARG B 143 2.405 13.867 -12.355 1.00 20.35 C ATOM 1483 NE ARG B 143 3.275 14.295 -11.240 1.00 11.21 N ATOM 1484 CZ ARG B 143 3.561 13.570 -10.148 1.00 53.12 C ATOM 1485 NH1 ARG B 143 3.059 12.349 -9.972 1.00 44.51 N ATOM 1486 NH2 ARG B 143 4.370 14.076 -9.220 1.00 14.34 N ATOM 0 H ARG B 143 3.473 13.594 -16.227 1.00 3.54 H new ATOM 0 HA ARG B 143 4.581 15.996 -15.288 1.00 11.11 H new ATOM 0 HB2 ARG B 143 4.500 13.208 -14.051 1.00 22.14 H new ATOM 0 HB3 ARG B 143 4.915 14.668 -13.175 1.00 22.14 H new ATOM 0 HG2 ARG B 143 2.625 15.589 -13.642 1.00 53.42 H new ATOM 0 HG3 ARG B 143 2.212 14.114 -14.493 1.00 53.42 H new ATOM 0 HD2 ARG B 143 1.371 14.128 -12.131 1.00 20.35 H new ATOM 0 HD3 ARG B 143 2.446 12.782 -12.452 1.00 20.35 H new ATOM 0 HE ARG B 143 3.695 15.222 -11.306 1.00 11.21 H new ATOM 0 HH11 ARG B 143 2.442 11.945 -10.676 1.00 44.51 H new ATOM 0 HH12 ARG B 143 3.292 11.818 -9.133 1.00 44.51 H new ATOM 0 HH21 ARG B 143 4.767 15.008 -9.342 1.00 14.34 H new ATOM 0 HH22 ARG B 143 4.593 13.532 -8.386 1.00 14.34 H new ATOM 1500 N PHE B 144 6.771 13.532 -15.796 1.00 31.13 N ATOM 1501 CA PHE B 144 8.163 13.192 -16.125 1.00 11.14 C ATOM 1502 C PHE B 144 8.173 11.801 -16.814 1.00 12.32 C ATOM 1503 O PHE B 144 8.173 11.740 -18.058 1.00 34.24 O ATOM 1504 CB PHE B 144 9.053 13.207 -14.848 1.00 32.44 C ATOM 1505 CG PHE B 144 10.554 13.053 -15.122 1.00 72.13 C ATOM 1506 CD1 PHE B 144 11.317 14.143 -15.548 1.00 64.45 C ATOM 1507 CD2 PHE B 144 11.197 11.820 -14.967 1.00 44.50 C ATOM 1508 CE1 PHE B 144 12.667 14.004 -15.816 1.00 41.11 C ATOM 1509 CE2 PHE B 144 12.548 11.686 -15.232 1.00 2.14 C ATOM 1510 CZ PHE B 144 13.281 12.777 -15.656 1.00 53.01 C ATOM 0 H PHE B 144 6.141 12.732 -15.851 1.00 31.13 H new ATOM 0 HA PHE B 144 8.581 13.934 -16.805 1.00 11.14 H new ATOM 0 HB2 PHE B 144 8.887 14.143 -14.315 1.00 32.44 H new ATOM 0 HB3 PHE B 144 8.732 12.402 -14.186 1.00 32.44 H new ATOM 0 HD1 PHE B 144 10.846 15.107 -15.670 1.00 64.45 H new ATOM 0 HD2 PHE B 144 10.631 10.962 -14.636 1.00 44.50 H new ATOM 0 HE1 PHE B 144 13.241 14.855 -16.151 1.00 41.11 H new ATOM 0 HE2 PHE B 144 13.030 10.728 -15.107 1.00 2.14 H new ATOM 0 HZ PHE B 144 14.336 12.671 -15.863 1.00 53.01 H new TER 1520 PHE B 144