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 41 GLN :FLIP amide:sc= -5.21! C(o=-5.9!,f=-5.2!) USER MOD Set 1.2: B 138 THR OG1 : rot 104:sc= 0.0296 USER MOD Set 1.3: B 141 GLN :FLIP amide:sc= 0 F(o=-6.5,f=-5.2) USER MOD Set 2.1: A 33 GLN : amide:sc= -1.34 K(o=-1.5,f=-3.2) USER MOD Set 2.2: A 38 THR OG1 : rot 162:sc= -0.12 USER MOD Single : A 1 ASP N :NH3+ -170:sc= -0.0773 (180deg=-0.156) USER MOD Single : A 3 LYS NZ :NH3+ 152:sc= -0.164 (180deg=-0.753) 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= -0.548 X(o=-0.55,f=-0.084) USER MOD Single : A 13 ASN : amide:sc= -1.64 K(o=-1.6,f=-2.8!) USER MOD Single : A 15 LYS NZ :NH3+ -154:sc= 0.941 (180deg=0.502) USER MOD Single : A 17 LYS NZ :NH3+ 168:sc= -0.013 (180deg=-0.212) USER MOD Single : A 19 GLN : amide:sc= -2.85 X(o=-2.9,f=-2.6!) USER MOD Single : A 21 HIS : no HD1:sc= -0.0107 X(o=-0.011,f=-0.16) USER MOD Single : A 23 THR OG1 : rot 74:sc= 1.11 USER MOD Single : A 24 ASN :FLIP amide:sc= -1.38 F(o=-3.7!,f=-1.4) USER MOD Single : A 25 MET CE :methyl 162:sc= -1.04 (180deg=-1.45!) USER MOD Single : A 28 THR OG1 : rot 72:sc= 0.995 USER MOD Single : A 31 LYS NZ :NH3+ -164:sc= -0.0244 (180deg=-0.235) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.604 X(o=-0.6,f=-0.17) USER MOD Single : B 103 LYS NZ :NH3+ 159:sc= -0.797 (180deg=-1.56!) 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 :FLIP amide:sc= -0.0696 F(o=-0.66,f=-0.07) USER MOD Single : B 113 ASN : amide:sc= -0.105 X(o=-0.1,f=-0.01) USER MOD Single : B 115 LYS NZ :NH3+ -168:sc= 0.448 (180deg=0.362) USER MOD Single : B 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 119 GLN :FLIP amide:sc= -1.99 F(o=-2.5,f=-2) USER MOD Single : B 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 123 THR OG1 : rot 73:sc= 0.929 USER MOD Single : B 124 ASN :FLIP amide:sc= -1.43 F(o=-4!,f=-1.4) USER MOD Single : B 125 MET CE :methyl -161:sc= -0.168 (180deg=-0.731) USER MOD Single : B 128 THR OG1 : rot 70:sc= 0.818 USER MOD Single : B 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 133 GLN :FLIP amide:sc= -0.904 F(o=-3!,f=-0.9) USER MOD Single : B 136 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.587) USER MOD Single : B 139 GLN : amide:sc= 0.0587 K(o=0.059,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 15.192 -9.228 25.083 1.00 31.34 N ATOM 2 CA ASP A 1 15.300 -8.738 23.688 1.00 63.03 C ATOM 3 C ASP A 1 14.058 -9.094 22.866 1.00 42.12 C ATOM 4 O ASP A 1 13.885 -8.583 21.763 1.00 45.04 O ATOM 5 CB ASP A 1 16.559 -9.329 23.017 1.00 11.43 C ATOM 6 CG ASP A 1 17.844 -8.916 23.746 1.00 51.44 C ATOM 7 OD1 ASP A 1 18.220 -9.593 24.729 1.00 74.24 O ATOM 8 OD2 ASP A 1 18.462 -7.898 23.367 1.00 0.12 O ATOM 0 H1 ASP A 1 15.965 -8.827 25.652 1.00 31.34 H new ATOM 0 H2 ASP A 1 14.278 -8.935 25.484 1.00 31.34 H new ATOM 0 H3 ASP A 1 15.257 -10.266 25.092 1.00 31.34 H new ATOM 0 HA ASP A 1 15.379 -7.651 23.723 1.00 63.03 H new ATOM 0 HB2 ASP A 1 16.485 -10.416 23.000 1.00 11.43 H new ATOM 0 HB3 ASP A 1 16.607 -8.997 21.980 1.00 11.43 H new ATOM 15 N PHE A 2 13.202 -9.972 23.397 1.00 70.31 N ATOM 16 CA PHE A 2 12.054 -10.512 22.650 1.00 72.42 C ATOM 17 C PHE A 2 10.787 -9.645 22.743 1.00 41.11 C ATOM 18 O PHE A 2 9.953 -9.692 21.825 1.00 41.43 O ATOM 19 CB PHE A 2 11.775 -11.947 23.113 1.00 41.32 C ATOM 20 CG PHE A 2 12.897 -12.926 22.766 1.00 22.34 C ATOM 21 CD1 PHE A 2 13.154 -13.255 21.433 1.00 43.44 C ATOM 22 CD2 PHE A 2 13.669 -13.538 23.753 1.00 22.44 C ATOM 23 CE1 PHE A 2 14.139 -14.160 21.099 1.00 3.33 C ATOM 24 CE2 PHE A 2 14.663 -14.440 23.415 1.00 63.02 C ATOM 25 CZ PHE A 2 14.894 -14.752 22.090 1.00 4.41 C ATOM 0 H PHE A 2 13.281 -10.329 24.349 1.00 70.31 H new ATOM 0 HA PHE A 2 12.328 -10.506 21.595 1.00 72.42 H new ATOM 0 HB2 PHE A 2 11.622 -11.949 24.192 1.00 41.32 H new ATOM 0 HB3 PHE A 2 10.847 -12.294 22.658 1.00 41.32 H new ATOM 0 HD1 PHE A 2 12.571 -12.792 20.650 1.00 43.44 H new ATOM 0 HD2 PHE A 2 13.489 -13.306 24.792 1.00 22.44 H new ATOM 0 HE1 PHE A 2 14.319 -14.405 20.063 1.00 3.33 H new ATOM 0 HE2 PHE A 2 15.259 -14.901 24.189 1.00 63.02 H new ATOM 0 HZ PHE A 2 15.667 -15.460 21.829 1.00 4.41 H new ATOM 35 N LYS A 3 10.629 -8.865 23.828 1.00 4.30 N ATOM 36 CA LYS A 3 9.462 -7.962 23.967 1.00 53.33 C ATOM 37 C LYS A 3 9.561 -6.832 22.928 1.00 3.43 C ATOM 38 O LYS A 3 8.574 -6.468 22.275 1.00 3.31 O ATOM 39 CB LYS A 3 9.306 -7.408 25.421 1.00 31.44 C ATOM 40 CG LYS A 3 10.213 -6.223 25.866 1.00 72.31 C ATOM 41 CD LYS A 3 11.749 -6.491 25.769 1.00 51.51 C ATOM 42 CE LYS A 3 12.536 -5.860 26.927 1.00 3.23 C ATOM 43 NZ LYS A 3 12.049 -6.291 28.274 1.00 62.44 N ATOM 0 H LYS A 3 11.281 -8.838 24.612 1.00 4.30 H new ATOM 0 HA LYS A 3 8.558 -8.539 23.774 1.00 53.33 H new ATOM 0 HB2 LYS A 3 8.269 -7.097 25.548 1.00 31.44 H new ATOM 0 HB3 LYS A 3 9.478 -8.234 26.111 1.00 31.44 H new ATOM 0 HG2 LYS A 3 9.973 -5.353 25.255 1.00 72.31 H new ATOM 0 HG3 LYS A 3 9.969 -5.966 26.897 1.00 72.31 H new ATOM 0 HD2 LYS A 3 11.926 -7.567 25.759 1.00 51.51 H new ATOM 0 HD3 LYS A 3 12.123 -6.097 24.824 1.00 51.51 H new ATOM 0 HE2 LYS A 3 13.589 -6.122 26.828 1.00 3.23 H new ATOM 0 HE3 LYS A 3 12.470 -4.774 26.854 1.00 3.23 H new ATOM 0 HZ1 LYS A 3 12.833 -6.251 28.956 1.00 62.44 H new ATOM 0 HZ2 LYS A 3 11.286 -5.657 28.587 1.00 62.44 H new ATOM 0 HZ3 LYS A 3 11.688 -7.265 28.218 1.00 62.44 H new ATOM 57 N LYS A 4 10.797 -6.336 22.741 1.00 43.21 N ATOM 58 CA LYS A 4 11.103 -5.302 21.756 1.00 12.23 C ATOM 59 C LYS A 4 11.195 -5.926 20.358 1.00 54.00 C ATOM 60 O LYS A 4 10.883 -5.257 19.398 1.00 73.34 O ATOM 61 CB LYS A 4 12.395 -4.518 22.142 1.00 65.42 C ATOM 62 CG LYS A 4 13.675 -5.378 22.309 1.00 34.13 C ATOM 63 CD LYS A 4 14.512 -5.559 21.010 1.00 42.54 C ATOM 64 CE LYS A 4 15.033 -4.249 20.398 1.00 3.13 C ATOM 65 NZ LYS A 4 15.878 -4.506 19.192 1.00 41.02 N ATOM 0 H LYS A 4 11.609 -6.647 23.274 1.00 43.21 H new ATOM 0 HA LYS A 4 10.294 -4.572 21.744 1.00 12.23 H new ATOM 0 HB2 LYS A 4 12.583 -3.764 21.378 1.00 65.42 H new ATOM 0 HB3 LYS A 4 12.211 -3.987 23.076 1.00 65.42 H new ATOM 0 HG2 LYS A 4 14.306 -4.921 23.071 1.00 34.13 H new ATOM 0 HG3 LYS A 4 13.389 -6.362 22.681 1.00 34.13 H new ATOM 0 HD2 LYS A 4 15.362 -6.206 21.228 1.00 42.54 H new ATOM 0 HD3 LYS A 4 13.901 -6.074 20.268 1.00 42.54 H new ATOM 0 HE2 LYS A 4 14.191 -3.614 20.125 1.00 3.13 H new ATOM 0 HE3 LYS A 4 15.615 -3.705 21.142 1.00 3.13 H new ATOM 0 HZ1 LYS A 4 16.213 -3.601 18.804 1.00 41.02 H new ATOM 0 HZ2 LYS A 4 16.695 -5.092 19.459 1.00 41.02 H new ATOM 0 HZ3 LYS A 4 15.315 -5.004 18.473 1.00 41.02 H new ATOM 79 N LEU A 5 11.625 -7.218 20.265 1.00 64.33 N ATOM 80 CA LEU A 5 11.638 -7.973 18.981 1.00 45.24 C ATOM 81 C LEU A 5 10.250 -7.930 18.327 1.00 43.12 C ATOM 82 O LEU A 5 10.129 -7.647 17.128 1.00 14.32 O ATOM 83 CB LEU A 5 12.038 -9.457 19.196 1.00 25.11 C ATOM 84 CG LEU A 5 12.100 -10.344 17.909 1.00 14.14 C ATOM 85 CD1 LEU A 5 13.303 -9.961 17.028 1.00 13.52 C ATOM 86 CD2 LEU A 5 12.091 -11.851 18.246 1.00 73.24 C ATOM 0 H LEU A 5 11.966 -7.755 21.063 1.00 64.33 H new ATOM 0 HA LEU A 5 12.376 -7.498 18.334 1.00 45.24 H new ATOM 0 HB2 LEU A 5 13.015 -9.483 19.679 1.00 25.11 H new ATOM 0 HB3 LEU A 5 11.328 -9.907 19.890 1.00 25.11 H new ATOM 0 HG LEU A 5 11.196 -10.147 17.333 1.00 14.14 H new ATOM 0 HD11 LEU A 5 13.320 -10.594 16.141 1.00 13.52 H new ATOM 0 HD12 LEU A 5 13.216 -8.917 16.727 1.00 13.52 H new ATOM 0 HD13 LEU A 5 14.226 -10.100 17.591 1.00 13.52 H new ATOM 0 HD21 LEU A 5 12.135 -12.430 17.324 1.00 73.24 H new ATOM 0 HD22 LEU A 5 12.955 -12.090 18.867 1.00 73.24 H new ATOM 0 HD23 LEU A 5 11.177 -12.098 18.786 1.00 73.24 H new ATOM 98 N TYR A 6 9.220 -8.188 19.169 1.00 50.25 N ATOM 99 CA TYR A 6 7.807 -8.120 18.779 1.00 4.43 C ATOM 100 C TYR A 6 7.497 -6.734 18.195 1.00 2.04 C ATOM 101 O TYR A 6 6.971 -6.636 17.093 1.00 2.33 O ATOM 102 CB TYR A 6 6.894 -8.431 20.006 1.00 62.11 C ATOM 103 CG TYR A 6 5.460 -8.850 19.632 1.00 24.40 C ATOM 104 CD1 TYR A 6 5.079 -10.198 19.631 1.00 31.15 C ATOM 105 CD2 TYR A 6 4.500 -7.905 19.248 1.00 72.51 C ATOM 106 CE1 TYR A 6 3.801 -10.579 19.268 1.00 50.25 C ATOM 107 CE2 TYR A 6 3.221 -8.291 18.889 1.00 10.11 C ATOM 108 CZ TYR A 6 2.881 -9.624 18.901 1.00 5.24 C ATOM 109 OH TYR A 6 1.607 -10.009 18.542 1.00 1.35 O ATOM 0 H TYR A 6 9.357 -8.451 20.145 1.00 50.25 H new ATOM 0 HA TYR A 6 7.606 -8.869 18.013 1.00 4.43 H new ATOM 0 HB2 TYR A 6 7.352 -9.227 20.594 1.00 62.11 H new ATOM 0 HB3 TYR A 6 6.849 -7.549 20.644 1.00 62.11 H new ATOM 0 HD1 TYR A 6 5.796 -10.952 19.919 1.00 31.15 H new ATOM 0 HD2 TYR A 6 4.763 -6.858 19.232 1.00 72.51 H new ATOM 0 HE1 TYR A 6 3.525 -11.623 19.272 1.00 50.25 H new ATOM 0 HE2 TYR A 6 2.492 -7.548 18.600 1.00 10.11 H new ATOM 0 HH TYR A 6 1.079 -9.217 18.311 1.00 1.35 H new ATOM 119 N GLU A 7 7.913 -5.685 18.932 1.00 13.32 N ATOM 120 CA GLU A 7 7.736 -4.276 18.545 1.00 14.22 C ATOM 121 C GLU A 7 8.418 -3.943 17.207 1.00 72.25 C ATOM 122 O GLU A 7 7.878 -3.164 16.433 1.00 45.22 O ATOM 123 CB GLU A 7 8.320 -3.357 19.645 1.00 31.12 C ATOM 124 CG GLU A 7 7.636 -3.474 21.017 1.00 40.51 C ATOM 125 CD GLU A 7 6.133 -3.157 20.982 1.00 62.44 C ATOM 126 OE1 GLU A 7 5.771 -1.973 20.799 1.00 53.24 O ATOM 127 OE2 GLU A 7 5.307 -4.084 21.134 1.00 34.11 O ATOM 0 H GLU A 7 8.389 -5.798 19.827 1.00 13.32 H new ATOM 0 HA GLU A 7 6.665 -4.109 18.427 1.00 14.22 H new ATOM 0 HB2 GLU A 7 9.380 -3.584 19.763 1.00 31.12 H new ATOM 0 HB3 GLU A 7 8.251 -2.323 19.308 1.00 31.12 H new ATOM 0 HG2 GLU A 7 7.777 -4.485 21.399 1.00 40.51 H new ATOM 0 HG3 GLU A 7 8.126 -2.797 21.717 1.00 40.51 H new ATOM 134 N GLN A 8 9.615 -4.528 16.966 1.00 34.12 N ATOM 135 CA GLN A 8 10.432 -4.221 15.767 1.00 75.34 C ATOM 136 C GLN A 8 9.763 -4.747 14.493 1.00 31.30 C ATOM 137 O GLN A 8 9.610 -3.992 13.517 1.00 22.45 O ATOM 138 CB GLN A 8 11.881 -4.794 15.868 1.00 70.03 C ATOM 139 CG GLN A 8 12.681 -4.371 17.113 1.00 62.11 C ATOM 140 CD GLN A 8 12.510 -2.897 17.490 1.00 45.32 C ATOM 141 OE1 GLN A 8 13.262 -2.027 17.057 1.00 22.10 O ATOM 142 NE2 GLN A 8 11.490 -2.605 18.287 1.00 53.33 N ATOM 0 H GLN A 8 10.038 -5.217 17.588 1.00 34.12 H new ATOM 0 HA GLN A 8 10.503 -3.134 15.718 1.00 75.34 H new ATOM 0 HB2 GLN A 8 11.824 -5.882 15.848 1.00 70.03 H new ATOM 0 HB3 GLN A 8 12.436 -4.488 14.981 1.00 70.03 H new ATOM 0 HG2 GLN A 8 12.375 -4.989 17.957 1.00 62.11 H new ATOM 0 HG3 GLN A 8 13.738 -4.571 16.938 1.00 62.11 H new ATOM 0 HE21 GLN A 8 10.882 -3.349 18.631 1.00 53.33 H new ATOM 0 HE22 GLN A 8 11.314 -1.637 18.556 1.00 53.33 H new ATOM 151 N ILE A 9 9.389 -6.054 14.497 1.00 32.45 N ATOM 152 CA ILE A 9 8.708 -6.667 13.344 1.00 63.35 C ATOM 153 C ILE A 9 7.349 -5.980 13.112 1.00 64.12 C ATOM 154 O ILE A 9 7.033 -5.584 11.998 1.00 53.12 O ATOM 155 CB ILE A 9 8.423 -8.207 13.496 1.00 43.42 C ATOM 156 CG1 ILE A 9 9.541 -8.964 14.252 1.00 53.30 C ATOM 157 CG2 ILE A 9 8.200 -8.846 12.095 1.00 20.34 C ATOM 158 CD1 ILE A 9 9.135 -10.375 14.609 1.00 44.10 C ATOM 0 H ILE A 9 9.549 -6.689 15.279 1.00 32.45 H new ATOM 0 HA ILE A 9 9.396 -6.534 12.509 1.00 63.35 H new ATOM 0 HB ILE A 9 7.520 -8.301 14.100 1.00 43.42 H new ATOM 0 HG12 ILE A 9 10.440 -8.991 13.636 1.00 53.30 H new ATOM 0 HG13 ILE A 9 9.795 -8.420 15.162 1.00 53.30 H new ATOM 0 HG21 ILE A 9 8.003 -9.912 12.208 1.00 20.34 H new ATOM 0 HG22 ILE A 9 7.348 -8.370 11.609 1.00 20.34 H new ATOM 0 HG23 ILE A 9 9.092 -8.705 11.484 1.00 20.34 H new ATOM 0 HD11 ILE A 9 9.952 -10.866 15.138 1.00 44.10 H new ATOM 0 HD12 ILE A 9 8.252 -10.349 15.248 1.00 44.10 H new ATOM 0 HD13 ILE A 9 8.907 -10.929 13.699 1.00 44.10 H new ATOM 170 N LEU A 10 6.571 -5.857 14.216 1.00 41.11 N ATOM 171 CA LEU A 10 5.205 -5.284 14.225 1.00 50.32 C ATOM 172 C LEU A 10 5.236 -3.791 13.800 1.00 71.42 C ATOM 173 O LEU A 10 4.251 -3.283 13.281 1.00 22.34 O ATOM 174 CB LEU A 10 4.539 -5.476 15.640 1.00 72.54 C ATOM 175 CG LEU A 10 2.986 -5.751 15.708 1.00 23.43 C ATOM 176 CD1 LEU A 10 2.138 -4.570 15.179 1.00 25.25 C ATOM 177 CD2 LEU A 10 2.612 -7.075 14.991 1.00 44.10 C ATOM 0 H LEU A 10 6.882 -6.159 15.139 1.00 41.11 H new ATOM 0 HA LEU A 10 4.593 -5.817 13.497 1.00 50.32 H new ATOM 0 HB2 LEU A 10 5.045 -6.305 16.135 1.00 72.54 H new ATOM 0 HB3 LEU A 10 4.744 -4.581 16.227 1.00 72.54 H new ATOM 0 HG LEU A 10 2.743 -5.856 16.765 1.00 23.43 H new ATOM 0 HD11 LEU A 10 1.080 -4.820 15.252 1.00 25.25 H new ATOM 0 HD12 LEU A 10 2.342 -3.680 15.774 1.00 25.25 H new ATOM 0 HD13 LEU A 10 2.394 -4.376 14.137 1.00 25.25 H new ATOM 0 HD21 LEU A 10 1.536 -7.233 15.057 1.00 44.10 H new ATOM 0 HD22 LEU A 10 2.907 -7.017 13.943 1.00 44.10 H new ATOM 0 HD23 LEU A 10 3.131 -7.906 15.468 1.00 44.10 H new ATOM 189 N ALA A 11 6.372 -3.105 14.040 1.00 32.22 N ATOM 190 CA ALA A 11 6.598 -1.721 13.562 1.00 51.11 C ATOM 191 C ALA A 11 6.512 -1.668 12.029 1.00 60.22 C ATOM 192 O ALA A 11 5.677 -0.954 11.454 1.00 60.43 O ATOM 193 CB ALA A 11 7.960 -1.193 14.049 1.00 32.41 C ATOM 0 H ALA A 11 7.156 -3.490 14.567 1.00 32.22 H new ATOM 0 HA ALA A 11 5.819 -1.080 13.975 1.00 51.11 H new ATOM 0 HB1 ALA A 11 8.106 -0.175 13.687 1.00 32.41 H new ATOM 0 HB2 ALA A 11 7.983 -1.197 15.139 1.00 32.41 H new ATOM 0 HB3 ALA A 11 8.756 -1.832 13.666 1.00 32.41 H new ATOM 199 N GLU A 12 7.355 -2.485 11.381 1.00 4.42 N ATOM 200 CA GLU A 12 7.391 -2.592 9.917 1.00 75.33 C ATOM 201 C GLU A 12 6.078 -3.205 9.385 1.00 12.03 C ATOM 202 O GLU A 12 5.584 -2.807 8.336 1.00 70.04 O ATOM 203 CB GLU A 12 8.597 -3.454 9.486 1.00 24.14 C ATOM 204 CG GLU A 12 8.821 -3.533 7.959 1.00 10.23 C ATOM 205 CD GLU A 12 9.296 -2.217 7.317 1.00 51.42 C ATOM 206 OE1 GLU A 12 8.801 -1.868 6.230 1.00 22.11 O ATOM 207 OE2 GLU A 12 10.173 -1.535 7.891 1.00 63.24 O ATOM 0 H GLU A 12 8.028 -3.087 11.855 1.00 4.42 H new ATOM 0 HA GLU A 12 7.497 -1.593 9.495 1.00 75.33 H new ATOM 0 HB2 GLU A 12 9.498 -3.053 9.951 1.00 24.14 H new ATOM 0 HB3 GLU A 12 8.461 -4.464 9.872 1.00 24.14 H new ATOM 0 HG2 GLU A 12 9.556 -4.310 7.752 1.00 10.23 H new ATOM 0 HG3 GLU A 12 7.890 -3.840 7.483 1.00 10.23 H new ATOM 214 N ASN A 13 5.503 -4.133 10.170 1.00 73.44 N ATOM 215 CA ASN A 13 4.305 -4.909 9.800 1.00 52.24 C ATOM 216 C ASN A 13 3.074 -3.977 9.725 1.00 33.33 C ATOM 217 O ASN A 13 2.327 -4.005 8.738 1.00 52.51 O ATOM 218 CB ASN A 13 4.079 -6.042 10.836 1.00 13.43 C ATOM 219 CG ASN A 13 3.075 -7.103 10.393 1.00 40.44 C ATOM 220 OD1 ASN A 13 1.870 -6.938 10.544 1.00 51.24 O ATOM 221 ND2 ASN A 13 3.562 -8.215 9.853 1.00 61.54 N ATOM 0 H ASN A 13 5.863 -4.369 11.095 1.00 73.44 H new ATOM 0 HA ASN A 13 4.451 -5.359 8.818 1.00 52.24 H new ATOM 0 HB2 ASN A 13 5.034 -6.525 11.043 1.00 13.43 H new ATOM 0 HB3 ASN A 13 3.735 -5.601 11.771 1.00 13.43 H new ATOM 0 HD21 ASN A 13 2.929 -8.956 9.553 1.00 61.54 H new ATOM 0 HD22 ASN A 13 4.569 -8.328 9.738 1.00 61.54 H new ATOM 228 N GLU A 14 2.921 -3.111 10.761 1.00 43.03 N ATOM 229 CA GLU A 14 1.818 -2.124 10.854 1.00 71.34 C ATOM 230 C GLU A 14 1.946 -1.128 9.691 1.00 14.41 C ATOM 231 O GLU A 14 0.942 -0.709 9.096 1.00 32.10 O ATOM 232 CB GLU A 14 1.837 -1.367 12.240 1.00 73.52 C ATOM 233 CG GLU A 14 2.662 -0.051 12.263 1.00 31.33 C ATOM 234 CD GLU A 14 2.942 0.510 13.667 1.00 60.42 C ATOM 235 OE1 GLU A 14 3.715 -0.109 14.418 1.00 45.32 O ATOM 236 OE2 GLU A 14 2.419 1.592 14.015 1.00 34.31 O ATOM 0 H GLU A 14 3.561 -3.079 11.555 1.00 43.03 H new ATOM 0 HA GLU A 14 0.865 -2.649 10.788 1.00 71.34 H new ATOM 0 HB2 GLU A 14 0.810 -1.138 12.525 1.00 73.52 H new ATOM 0 HB3 GLU A 14 2.236 -2.041 12.998 1.00 73.52 H new ATOM 0 HG2 GLU A 14 3.613 -0.226 11.761 1.00 31.33 H new ATOM 0 HG3 GLU A 14 2.131 0.705 11.684 1.00 31.33 H new ATOM 243 N LYS A 15 3.226 -0.794 9.365 1.00 30.54 N ATOM 244 CA LYS A 15 3.551 0.108 8.270 1.00 22.34 C ATOM 245 C LYS A 15 3.057 -0.500 6.953 1.00 54.40 C ATOM 246 O LYS A 15 2.444 0.191 6.147 1.00 74.35 O ATOM 247 CB LYS A 15 5.078 0.373 8.180 1.00 32.11 C ATOM 248 CG LYS A 15 5.464 1.542 7.220 1.00 12.44 C ATOM 249 CD LYS A 15 6.734 1.280 6.376 1.00 4.31 C ATOM 250 CE LYS A 15 6.497 0.231 5.276 1.00 34.52 C ATOM 251 NZ LYS A 15 7.708 0.032 4.436 1.00 21.13 N ATOM 0 H LYS A 15 4.042 -1.150 9.862 1.00 30.54 H new ATOM 0 HA LYS A 15 3.057 1.062 8.456 1.00 22.34 H new ATOM 0 HB2 LYS A 15 5.457 0.595 9.177 1.00 32.11 H new ATOM 0 HB3 LYS A 15 5.575 -0.537 7.846 1.00 32.11 H new ATOM 0 HG2 LYS A 15 4.628 1.735 6.547 1.00 12.44 H new ATOM 0 HG3 LYS A 15 5.614 2.446 7.810 1.00 12.44 H new ATOM 0 HD2 LYS A 15 7.064 2.214 5.920 1.00 4.31 H new ATOM 0 HD3 LYS A 15 7.539 0.943 7.029 1.00 4.31 H new ATOM 0 HE2 LYS A 15 6.211 -0.717 5.732 1.00 34.52 H new ATOM 0 HE3 LYS A 15 5.665 0.546 4.646 1.00 34.52 H new ATOM 0 HZ1 LYS A 15 7.425 -0.305 3.493 1.00 21.13 H new ATOM 0 HZ2 LYS A 15 8.218 0.934 4.343 1.00 21.13 H new ATOM 0 HZ3 LYS A 15 8.329 -0.672 4.883 1.00 21.13 H new ATOM 265 N LEU A 16 3.288 -1.829 6.797 1.00 2.23 N ATOM 266 CA LEU A 16 2.936 -2.577 5.582 1.00 1.42 C ATOM 267 C LEU A 16 1.407 -2.658 5.374 1.00 51.31 C ATOM 268 O LEU A 16 0.950 -2.685 4.229 1.00 33.33 O ATOM 269 CB LEU A 16 3.585 -3.989 5.574 1.00 33.14 C ATOM 270 CG LEU A 16 5.146 -4.022 5.510 1.00 23.43 C ATOM 271 CD1 LEU A 16 5.682 -5.464 5.571 1.00 22.00 C ATOM 272 CD2 LEU A 16 5.687 -3.286 4.270 1.00 12.34 C ATOM 0 H LEU A 16 3.725 -2.405 7.517 1.00 2.23 H new ATOM 0 HA LEU A 16 3.344 -2.022 4.738 1.00 1.42 H new ATOM 0 HB2 LEU A 16 3.266 -4.519 6.471 1.00 33.14 H new ATOM 0 HB3 LEU A 16 3.194 -4.543 4.720 1.00 33.14 H new ATOM 0 HG LEU A 16 5.510 -3.491 6.390 1.00 23.43 H new ATOM 0 HD11 LEU A 16 6.771 -5.450 5.524 1.00 22.00 H new ATOM 0 HD12 LEU A 16 5.365 -5.931 6.504 1.00 22.00 H new ATOM 0 HD13 LEU A 16 5.290 -6.034 4.728 1.00 22.00 H new ATOM 0 HD21 LEU A 16 6.776 -3.333 4.265 1.00 12.34 H new ATOM 0 HD22 LEU A 16 5.299 -3.759 3.368 1.00 12.34 H new ATOM 0 HD23 LEU A 16 5.369 -2.244 4.298 1.00 12.34 H new ATOM 284 N LYS A 17 0.617 -2.667 6.476 1.00 33.32 N ATOM 285 CA LYS A 17 -0.867 -2.584 6.366 1.00 23.44 C ATOM 286 C LYS A 17 -1.322 -1.164 5.984 1.00 20.43 C ATOM 287 O LYS A 17 -2.316 -1.004 5.259 1.00 50.41 O ATOM 288 CB LYS A 17 -1.628 -3.076 7.638 1.00 12.12 C ATOM 289 CG LYS A 17 -1.723 -4.628 7.789 1.00 63.12 C ATOM 290 CD LYS A 17 -0.578 -5.244 8.609 1.00 33.12 C ATOM 291 CE LYS A 17 -0.646 -4.861 10.103 1.00 22.53 C ATOM 292 NZ LYS A 17 -1.893 -5.346 10.757 1.00 63.10 N ATOM 0 H LYS A 17 0.969 -2.729 7.431 1.00 33.32 H new ATOM 0 HA LYS A 17 -1.133 -3.274 5.565 1.00 23.44 H new ATOM 0 HB2 LYS A 17 -1.133 -2.670 8.520 1.00 12.12 H new ATOM 0 HB3 LYS A 17 -2.637 -2.665 7.621 1.00 12.12 H new ATOM 0 HG2 LYS A 17 -2.672 -4.880 8.262 1.00 63.12 H new ATOM 0 HG3 LYS A 17 -1.731 -5.080 6.797 1.00 63.12 H new ATOM 0 HD2 LYS A 17 -0.611 -6.329 8.514 1.00 33.12 H new ATOM 0 HD3 LYS A 17 0.376 -4.917 8.197 1.00 33.12 H new ATOM 0 HE2 LYS A 17 0.218 -5.276 10.621 1.00 22.53 H new ATOM 0 HE3 LYS A 17 -0.586 -3.777 10.201 1.00 22.53 H new ATOM 0 HZ1 LYS A 17 -1.805 -5.247 11.789 1.00 63.10 H new ATOM 0 HZ2 LYS A 17 -2.701 -4.783 10.423 1.00 63.10 H new ATOM 0 HZ3 LYS A 17 -2.045 -6.346 10.517 1.00 63.10 H new ATOM 306 N ALA A 18 -0.579 -0.146 6.445 1.00 34.21 N ATOM 307 CA ALA A 18 -0.931 1.261 6.189 1.00 54.21 C ATOM 308 C ALA A 18 -0.705 1.600 4.707 1.00 12.31 C ATOM 309 O ALA A 18 -1.622 2.060 4.018 1.00 21.51 O ATOM 310 CB ALA A 18 -0.117 2.182 7.108 1.00 0.52 C ATOM 0 H ALA A 18 0.270 -0.270 6.997 1.00 34.21 H new ATOM 0 HA ALA A 18 -1.987 1.416 6.410 1.00 54.21 H new ATOM 0 HB1 ALA A 18 -0.384 3.220 6.912 1.00 0.52 H new ATOM 0 HB2 ALA A 18 -0.335 1.942 8.149 1.00 0.52 H new ATOM 0 HB3 ALA A 18 0.947 2.039 6.917 1.00 0.52 H new ATOM 316 N GLN A 19 0.508 1.300 4.217 1.00 41.44 N ATOM 317 CA GLN A 19 0.924 1.581 2.842 1.00 23.04 C ATOM 318 C GLN A 19 0.165 0.720 1.823 1.00 74.31 C ATOM 319 O GLN A 19 -0.071 1.179 0.707 1.00 24.10 O ATOM 320 CB GLN A 19 2.453 1.378 2.716 1.00 4.42 C ATOM 321 CG GLN A 19 2.977 -0.012 3.151 1.00 53.35 C ATOM 322 CD GLN A 19 3.243 -1.007 2.021 1.00 70.43 C ATOM 323 OE1 GLN A 19 4.285 -0.959 1.372 1.00 4.41 O ATOM 324 NE2 GLN A 19 2.349 -1.971 1.828 1.00 65.03 N ATOM 0 H GLN A 19 1.234 0.850 4.775 1.00 41.44 H new ATOM 0 HA GLN A 19 0.678 2.618 2.614 1.00 23.04 H new ATOM 0 HB2 GLN A 19 2.740 1.547 1.678 1.00 4.42 H new ATOM 0 HB3 GLN A 19 2.954 2.140 3.314 1.00 4.42 H new ATOM 0 HG2 GLN A 19 3.902 0.128 3.711 1.00 53.35 H new ATOM 0 HG3 GLN A 19 2.253 -0.454 3.836 1.00 53.35 H new ATOM 0 HE21 GLN A 19 1.491 -1.989 2.380 1.00 65.03 H new ATOM 0 HE22 GLN A 19 2.521 -2.693 1.128 1.00 65.03 H new ATOM 333 N LEU A 20 -0.205 -0.540 2.203 1.00 12.12 N ATOM 334 CA LEU A 20 -1.009 -1.394 1.297 1.00 32.42 C ATOM 335 C LEU A 20 -2.376 -0.757 1.112 1.00 51.51 C ATOM 336 O LEU A 20 -2.884 -0.708 -0.004 1.00 74.12 O ATOM 337 CB LEU A 20 -1.118 -2.887 1.773 1.00 21.50 C ATOM 338 CG LEU A 20 -2.246 -3.344 2.799 1.00 71.24 C ATOM 339 CD1 LEU A 20 -3.629 -3.582 2.127 1.00 35.34 C ATOM 340 CD2 LEU A 20 -1.824 -4.615 3.567 1.00 64.33 C ATOM 0 H LEU A 20 0.034 -0.967 3.098 1.00 12.12 H new ATOM 0 HA LEU A 20 -0.493 -1.448 0.338 1.00 32.42 H new ATOM 0 HB2 LEU A 20 -1.234 -3.499 0.878 1.00 21.50 H new ATOM 0 HB3 LEU A 20 -0.158 -3.151 2.217 1.00 21.50 H new ATOM 0 HG LEU A 20 -2.358 -2.514 3.496 1.00 71.24 H new ATOM 0 HD11 LEU A 20 -4.352 -3.891 2.882 1.00 35.34 H new ATOM 0 HD12 LEU A 20 -3.968 -2.659 1.656 1.00 35.34 H new ATOM 0 HD13 LEU A 20 -3.537 -4.362 1.372 1.00 35.34 H new ATOM 0 HD21 LEU A 20 -2.616 -4.901 4.260 1.00 64.33 H new ATOM 0 HD22 LEU A 20 -1.649 -5.426 2.860 1.00 64.33 H new ATOM 0 HD23 LEU A 20 -0.909 -4.416 4.124 1.00 64.33 H new ATOM 352 N HIS A 21 -2.942 -0.249 2.238 1.00 72.40 N ATOM 353 CA HIS A 21 -4.254 0.396 2.248 1.00 55.10 C ATOM 354 C HIS A 21 -4.246 1.579 1.287 1.00 51.43 C ATOM 355 O HIS A 21 -5.130 1.682 0.448 1.00 32.03 O ATOM 356 CB HIS A 21 -4.651 0.841 3.677 1.00 1.33 C ATOM 357 CG HIS A 21 -6.026 1.457 3.773 1.00 2.05 C ATOM 358 ND1 HIS A 21 -7.164 0.712 3.987 1.00 55.55 N ATOM 359 CD2 HIS A 21 -6.439 2.742 3.665 1.00 25.13 C ATOM 360 CE1 HIS A 21 -8.212 1.508 4.012 1.00 22.25 C ATOM 361 NE2 HIS A 21 -7.802 2.742 3.815 1.00 64.14 N ATOM 0 H HIS A 21 -2.493 -0.282 3.153 1.00 72.40 H new ATOM 0 HA HIS A 21 -5.002 -0.325 1.917 1.00 55.10 H new ATOM 0 HB2 HIS A 21 -4.605 -0.023 4.340 1.00 1.33 H new ATOM 0 HB3 HIS A 21 -3.917 1.561 4.039 1.00 1.33 H new ATOM 0 HD2 HIS A 21 -5.813 3.605 3.493 1.00 25.13 H new ATOM 0 HE1 HIS A 21 -9.235 1.200 4.168 1.00 22.25 H new ATOM 0 HE2 HIS A 21 -8.401 3.566 3.780 1.00 64.14 H new ATOM 370 N ASP A 22 -3.196 2.420 1.393 1.00 54.00 N ATOM 371 CA ASP A 22 -2.991 3.573 0.498 1.00 52.52 C ATOM 372 C ASP A 22 -2.951 3.140 -0.970 1.00 34.11 C ATOM 373 O ASP A 22 -3.698 3.684 -1.785 1.00 41.15 O ATOM 374 CB ASP A 22 -1.690 4.336 0.861 1.00 15.31 C ATOM 375 CG ASP A 22 -1.855 5.215 2.103 1.00 71.14 C ATOM 376 OD1 ASP A 22 -2.481 6.293 1.992 1.00 13.33 O ATOM 377 OD2 ASP A 22 -1.382 4.836 3.189 1.00 23.24 O ATOM 0 H ASP A 22 -2.469 2.317 2.101 1.00 54.00 H new ATOM 0 HA ASP A 22 -3.840 4.243 0.636 1.00 52.52 H new ATOM 0 HB2 ASP A 22 -0.887 3.619 1.031 1.00 15.31 H new ATOM 0 HB3 ASP A 22 -1.389 4.957 0.017 1.00 15.31 H new ATOM 382 N THR A 23 -2.103 2.129 -1.270 1.00 2.30 N ATOM 383 CA THR A 23 -1.901 1.624 -2.636 1.00 44.52 C ATOM 384 C THR A 23 -3.203 0.998 -3.196 1.00 60.22 C ATOM 385 O THR A 23 -3.451 1.060 -4.398 1.00 71.22 O ATOM 386 CB THR A 23 -0.718 0.597 -2.701 1.00 65.12 C ATOM 387 OG1 THR A 23 0.434 1.140 -2.038 1.00 3.03 O ATOM 388 CG2 THR A 23 -0.329 0.257 -4.152 1.00 13.15 C ATOM 0 H THR A 23 -1.543 1.645 -0.568 1.00 2.30 H new ATOM 0 HA THR A 23 -1.635 2.476 -3.262 1.00 44.52 H new ATOM 0 HB THR A 23 -1.055 -0.315 -2.208 1.00 65.12 H new ATOM 0 HG1 THR A 23 0.294 1.119 -1.068 1.00 3.03 H new ATOM 0 HG21 THR A 23 0.494 -0.457 -4.150 1.00 13.15 H new ATOM 0 HG22 THR A 23 -1.186 -0.178 -4.666 1.00 13.15 H new ATOM 0 HG23 THR A 23 -0.019 1.166 -4.668 1.00 13.15 H new ATOM 396 N ASN A 24 -4.046 0.440 -2.295 1.00 3.35 N ATOM 397 CA ASN A 24 -5.357 -0.133 -2.660 1.00 74.22 C ATOM 398 C ASN A 24 -6.344 0.991 -3.041 1.00 51.44 C ATOM 399 O ASN A 24 -6.972 0.929 -4.108 1.00 31.43 O ATOM 400 CB ASN A 24 -5.954 -1.016 -1.513 1.00 11.42 C ATOM 401 CG ASN A 24 -5.326 -2.419 -1.355 1.00 34.13 C ATOM 402 OD1 ASN A 24 -4.021 -2.562 -1.550 1.00 63.42 O flip ATOM 403 ND2 ASN A 24 -6.022 -3.384 -1.035 1.00 21.32 N flip ATOM 0 H ASN A 24 -3.835 0.376 -1.299 1.00 3.35 H new ATOM 0 HA ASN A 24 -5.201 -0.782 -3.522 1.00 74.22 H new ATOM 0 HB2 ASN A 24 -5.843 -0.480 -0.571 1.00 11.42 H new ATOM 0 HB3 ASN A 24 -7.023 -1.134 -1.689 1.00 11.42 H new ATOM 0 HD21 ASN A 24 -7.024 -3.263 -0.887 1.00 21.32 H new ATOM 0 HD22 ASN A 24 -5.596 -4.303 -0.918 1.00 21.32 H new ATOM 410 N MET A 25 -6.455 2.019 -2.158 1.00 71.54 N ATOM 411 CA MET A 25 -7.306 3.203 -2.377 1.00 53.41 C ATOM 412 C MET A 25 -7.010 3.865 -3.721 1.00 64.42 C ATOM 413 O MET A 25 -7.891 3.967 -4.577 1.00 20.23 O ATOM 414 CB MET A 25 -7.107 4.255 -1.247 1.00 5.11 C ATOM 415 CG MET A 25 -7.367 3.744 0.164 1.00 30.42 C ATOM 416 SD MET A 25 -7.591 5.073 1.365 1.00 15.12 S ATOM 417 CE MET A 25 -6.044 5.984 1.209 1.00 32.40 C ATOM 0 H MET A 25 -5.951 2.042 -1.272 1.00 71.54 H new ATOM 0 HA MET A 25 -8.338 2.851 -2.371 1.00 53.41 H new ATOM 0 HB2 MET A 25 -6.085 4.631 -1.298 1.00 5.11 H new ATOM 0 HB3 MET A 25 -7.768 5.100 -1.438 1.00 5.11 H new ATOM 0 HG2 MET A 25 -8.256 3.113 0.158 1.00 30.42 H new ATOM 0 HG3 MET A 25 -6.533 3.116 0.477 1.00 30.42 H new ATOM 0 HE1 MET A 25 -6.164 6.980 1.635 1.00 32.40 H new ATOM 0 HE2 MET A 25 -5.254 5.454 1.742 1.00 32.40 H new ATOM 0 HE3 MET A 25 -5.777 6.069 0.156 1.00 32.40 H new ATOM 427 N GLU A 26 -5.738 4.268 -3.895 1.00 73.43 N ATOM 428 CA GLU A 26 -5.302 5.038 -5.057 1.00 71.44 C ATOM 429 C GLU A 26 -5.453 4.227 -6.359 1.00 20.15 C ATOM 430 O GLU A 26 -5.840 4.794 -7.373 1.00 73.13 O ATOM 431 CB GLU A 26 -3.856 5.582 -4.855 1.00 44.11 C ATOM 432 CG GLU A 26 -2.754 4.521 -4.705 1.00 60.02 C ATOM 433 CD GLU A 26 -1.390 5.117 -4.317 1.00 20.11 C ATOM 434 OE1 GLU A 26 -1.006 5.050 -3.125 1.00 42.24 O ATOM 435 OE2 GLU A 26 -0.702 5.664 -5.203 1.00 23.44 O ATOM 0 H GLU A 26 -4.991 4.066 -3.231 1.00 73.43 H new ATOM 0 HA GLU A 26 -5.956 5.904 -5.156 1.00 71.44 H new ATOM 0 HB2 GLU A 26 -3.607 6.219 -5.703 1.00 44.11 H new ATOM 0 HB3 GLU A 26 -3.847 6.215 -3.968 1.00 44.11 H new ATOM 0 HG2 GLU A 26 -3.056 3.797 -3.948 1.00 60.02 H new ATOM 0 HG3 GLU A 26 -2.652 3.977 -5.644 1.00 60.02 H new ATOM 442 N LEU A 27 -5.204 2.894 -6.301 1.00 42.44 N ATOM 443 CA LEU A 27 -5.451 1.962 -7.422 1.00 75.32 C ATOM 444 C LEU A 27 -6.948 1.961 -7.815 1.00 71.14 C ATOM 445 O LEU A 27 -7.277 1.946 -9.004 1.00 24.43 O ATOM 446 CB LEU A 27 -4.979 0.554 -6.974 1.00 65.33 C ATOM 447 CG LEU A 27 -4.796 -0.588 -8.038 1.00 41.30 C ATOM 448 CD1 LEU A 27 -3.998 -1.739 -7.407 1.00 41.22 C ATOM 449 CD2 LEU A 27 -6.128 -1.133 -8.618 1.00 64.13 C ATOM 0 H LEU A 27 -4.825 2.438 -5.471 1.00 42.44 H new ATOM 0 HA LEU A 27 -4.897 2.273 -8.308 1.00 75.32 H new ATOM 0 HB2 LEU A 27 -4.023 0.679 -6.465 1.00 65.33 H new ATOM 0 HB3 LEU A 27 -5.691 0.194 -6.231 1.00 65.33 H new ATOM 0 HG LEU A 27 -4.260 -0.148 -8.879 1.00 41.30 H new ATOM 0 HD11 LEU A 27 -3.867 -2.535 -8.140 1.00 41.22 H new ATOM 0 HD12 LEU A 27 -3.021 -1.374 -7.090 1.00 41.22 H new ATOM 0 HD13 LEU A 27 -4.539 -2.126 -6.543 1.00 41.22 H new ATOM 0 HD21 LEU A 27 -5.915 -1.917 -9.344 1.00 64.13 H new ATOM 0 HD22 LEU A 27 -6.736 -1.541 -7.811 1.00 64.13 H new ATOM 0 HD23 LEU A 27 -6.670 -0.324 -9.107 1.00 64.13 H new ATOM 461 N THR A 28 -7.838 1.994 -6.799 1.00 14.23 N ATOM 462 CA THR A 28 -9.299 1.995 -6.998 1.00 53.32 C ATOM 463 C THR A 28 -9.759 3.307 -7.665 1.00 73.20 C ATOM 464 O THR A 28 -10.618 3.287 -8.556 1.00 54.40 O ATOM 465 CB THR A 28 -10.046 1.764 -5.644 1.00 74.54 C ATOM 466 OG1 THR A 28 -9.605 0.528 -5.060 1.00 71.42 O ATOM 467 CG2 THR A 28 -11.580 1.723 -5.799 1.00 15.43 C ATOM 0 H THR A 28 -7.560 2.021 -5.818 1.00 14.23 H new ATOM 0 HA THR A 28 -9.551 1.171 -7.665 1.00 53.32 H new ATOM 0 HB THR A 28 -9.805 2.612 -5.002 1.00 74.54 H new ATOM 0 HG1 THR A 28 -8.692 0.634 -4.721 1.00 71.42 H new ATOM 0 HG21 THR A 28 -12.040 1.560 -4.824 1.00 15.43 H new ATOM 0 HG22 THR A 28 -11.929 2.670 -6.211 1.00 15.43 H new ATOM 0 HG23 THR A 28 -11.856 0.910 -6.471 1.00 15.43 H new ATOM 475 N ASP A 29 -9.142 4.435 -7.242 1.00 21.34 N ATOM 476 CA ASP A 29 -9.363 5.754 -7.863 1.00 54.31 C ATOM 477 C ASP A 29 -8.936 5.717 -9.336 1.00 34.25 C ATOM 478 O ASP A 29 -9.678 6.191 -10.223 1.00 21.35 O ATOM 479 CB ASP A 29 -8.588 6.878 -7.115 1.00 21.13 C ATOM 480 CG ASP A 29 -9.145 7.161 -5.712 1.00 2.10 C ATOM 481 OD1 ASP A 29 -8.538 6.739 -4.711 1.00 32.31 O ATOM 482 OD2 ASP A 29 -10.221 7.798 -5.610 1.00 23.33 O ATOM 0 H ASP A 29 -8.481 4.453 -6.465 1.00 21.34 H new ATOM 0 HA ASP A 29 -10.427 5.980 -7.796 1.00 54.31 H new ATOM 0 HB2 ASP A 29 -7.539 6.595 -7.033 1.00 21.13 H new ATOM 0 HB3 ASP A 29 -8.626 7.793 -7.706 1.00 21.13 H new ATOM 487 N LEU A 30 -7.743 5.095 -9.570 1.00 34.23 N ATOM 488 CA LEU A 30 -7.141 4.979 -10.903 1.00 64.35 C ATOM 489 C LEU A 30 -8.093 4.247 -11.846 1.00 5.35 C ATOM 490 O LEU A 30 -8.571 4.858 -12.797 1.00 2.34 O ATOM 491 CB LEU A 30 -5.734 4.293 -10.886 1.00 25.34 C ATOM 492 CG LEU A 30 -4.558 5.061 -10.166 1.00 24.40 C ATOM 493 CD1 LEU A 30 -3.182 4.621 -10.714 1.00 14.55 C ATOM 494 CD2 LEU A 30 -4.728 6.601 -10.227 1.00 24.32 C ATOM 0 H LEU A 30 -7.185 4.666 -8.832 1.00 34.23 H new ATOM 0 HA LEU A 30 -6.978 5.993 -11.268 1.00 64.35 H new ATOM 0 HB2 LEU A 30 -5.841 3.318 -10.410 1.00 25.34 H new ATOM 0 HB3 LEU A 30 -5.435 4.112 -11.919 1.00 25.34 H new ATOM 0 HG LEU A 30 -4.602 4.786 -9.112 1.00 24.40 H new ATOM 0 HD11 LEU A 30 -2.393 5.168 -10.198 1.00 14.55 H new ATOM 0 HD12 LEU A 30 -3.050 3.552 -10.549 1.00 14.55 H new ATOM 0 HD13 LEU A 30 -3.131 4.832 -11.782 1.00 14.55 H new ATOM 0 HD21 LEU A 30 -3.892 7.080 -9.717 1.00 24.32 H new ATOM 0 HD22 LEU A 30 -4.751 6.924 -11.268 1.00 24.32 H new ATOM 0 HD23 LEU A 30 -5.661 6.884 -9.739 1.00 24.32 H new ATOM 506 N LYS A 31 -8.433 2.974 -11.514 1.00 62.32 N ATOM 507 CA LYS A 31 -9.256 2.101 -12.383 1.00 34.44 C ATOM 508 C LYS A 31 -10.670 2.652 -12.609 1.00 24.15 C ATOM 509 O LYS A 31 -11.256 2.419 -13.679 1.00 61.31 O ATOM 510 CB LYS A 31 -9.266 0.614 -11.874 1.00 35.22 C ATOM 511 CG LYS A 31 -9.777 0.338 -10.437 1.00 41.01 C ATOM 512 CD LYS A 31 -11.320 0.319 -10.298 1.00 24.14 C ATOM 513 CE LYS A 31 -11.785 -0.253 -8.952 1.00 11.24 C ATOM 514 NZ LYS A 31 -11.446 -1.693 -8.810 1.00 21.24 N ATOM 0 H LYS A 31 -8.145 2.529 -10.642 1.00 62.32 H new ATOM 0 HA LYS A 31 -8.778 2.098 -13.363 1.00 34.44 H new ATOM 0 HB2 LYS A 31 -9.876 0.030 -12.563 1.00 35.22 H new ATOM 0 HB3 LYS A 31 -8.248 0.230 -11.946 1.00 35.22 H new ATOM 0 HG2 LYS A 31 -9.383 -0.621 -10.102 1.00 41.01 H new ATOM 0 HG3 LYS A 31 -9.374 1.099 -9.769 1.00 41.01 H new ATOM 0 HD2 LYS A 31 -11.703 1.333 -10.409 1.00 24.14 H new ATOM 0 HD3 LYS A 31 -11.747 -0.274 -11.107 1.00 24.14 H new ATOM 0 HE2 LYS A 31 -11.323 0.309 -8.141 1.00 11.24 H new ATOM 0 HE3 LYS A 31 -12.863 -0.124 -8.856 1.00 11.24 H new ATOM 0 HZ1 LYS A 31 -12.000 -2.105 -8.032 1.00 21.24 H new ATOM 0 HZ2 LYS A 31 -11.669 -2.191 -9.695 1.00 21.24 H new ATOM 0 HZ3 LYS A 31 -10.432 -1.792 -8.603 1.00 21.24 H new ATOM 528 N LEU A 32 -11.193 3.407 -11.616 1.00 53.24 N ATOM 529 CA LEU A 32 -12.532 3.998 -11.687 1.00 21.53 C ATOM 530 C LEU A 32 -12.599 4.993 -12.852 1.00 15.33 C ATOM 531 O LEU A 32 -13.213 4.688 -13.886 1.00 65.15 O ATOM 532 CB LEU A 32 -12.910 4.672 -10.334 1.00 51.41 C ATOM 533 CG LEU A 32 -14.369 5.229 -10.218 1.00 70.40 C ATOM 534 CD1 LEU A 32 -15.424 4.117 -10.397 1.00 3.24 C ATOM 535 CD2 LEU A 32 -14.580 5.980 -8.884 1.00 33.43 C ATOM 0 H LEU A 32 -10.695 3.618 -10.751 1.00 53.24 H new ATOM 0 HA LEU A 32 -13.262 3.209 -11.870 1.00 21.53 H new ATOM 0 HB2 LEU A 32 -12.757 3.946 -9.536 1.00 51.41 H new ATOM 0 HB3 LEU A 32 -12.216 5.493 -10.155 1.00 51.41 H new ATOM 0 HG LEU A 32 -14.504 5.942 -11.031 1.00 70.40 H new ATOM 0 HD11 LEU A 32 -16.423 4.545 -10.309 1.00 3.24 H new ATOM 0 HD12 LEU A 32 -15.309 3.662 -11.381 1.00 3.24 H new ATOM 0 HD13 LEU A 32 -15.286 3.357 -9.627 1.00 3.24 H new ATOM 0 HD21 LEU A 32 -15.603 6.354 -8.835 1.00 33.43 H new ATOM 0 HD22 LEU A 32 -14.402 5.300 -8.051 1.00 33.43 H new ATOM 0 HD23 LEU A 32 -13.884 6.817 -8.824 1.00 33.43 H new ATOM 547 N GLN A 33 -11.887 6.141 -12.734 1.00 63.32 N ATOM 548 CA GLN A 33 -11.930 7.191 -13.776 1.00 11.13 C ATOM 549 C GLN A 33 -11.213 6.739 -15.078 1.00 13.12 C ATOM 550 O GLN A 33 -11.547 7.228 -16.175 1.00 74.54 O ATOM 551 CB GLN A 33 -11.451 8.580 -13.229 1.00 43.34 C ATOM 552 CG GLN A 33 -10.231 8.581 -12.272 1.00 3.11 C ATOM 553 CD GLN A 33 -8.865 8.506 -12.945 1.00 32.23 C ATOM 554 OE1 GLN A 33 -8.664 9.010 -14.040 1.00 52.53 O ATOM 555 NE2 GLN A 33 -7.900 7.909 -12.275 1.00 2.33 N ATOM 0 H GLN A 33 -11.286 6.359 -11.940 1.00 63.32 H new ATOM 0 HA GLN A 33 -12.972 7.341 -14.057 1.00 11.13 H new ATOM 0 HB2 GLN A 33 -11.212 9.215 -14.082 1.00 43.34 H new ATOM 0 HB3 GLN A 33 -12.288 9.046 -12.710 1.00 43.34 H new ATOM 0 HG2 GLN A 33 -10.268 9.486 -11.666 1.00 3.11 H new ATOM 0 HG3 GLN A 33 -10.327 7.736 -11.590 1.00 3.11 H new ATOM 0 HE21 GLN A 33 -8.093 7.496 -11.363 1.00 2.33 H new ATOM 0 HE22 GLN A 33 -6.960 7.860 -12.669 1.00 2.33 H new ATOM 564 N LEU A 34 -10.302 5.739 -14.943 1.00 43.54 N ATOM 565 CA LEU A 34 -9.590 5.107 -16.084 1.00 51.01 C ATOM 566 C LEU A 34 -10.582 4.645 -17.128 1.00 20.54 C ATOM 567 O LEU A 34 -10.644 5.268 -18.209 1.00 61.21 O ATOM 568 CB LEU A 34 -8.693 3.914 -15.600 1.00 73.31 C ATOM 569 CG LEU A 34 -7.777 3.137 -16.643 1.00 53.44 C ATOM 570 CD1 LEU A 34 -8.335 1.740 -17.008 1.00 13.12 C ATOM 571 CD2 LEU A 34 -7.486 3.970 -17.919 1.00 64.13 C ATOM 0 H LEU A 34 -10.041 5.348 -14.038 1.00 43.54 H new ATOM 0 HA LEU A 34 -8.934 5.853 -16.533 1.00 51.01 H new ATOM 0 HB2 LEU A 34 -8.040 4.296 -14.816 1.00 73.31 H new ATOM 0 HB3 LEU A 34 -9.352 3.180 -15.136 1.00 73.31 H new ATOM 0 HG LEU A 34 -6.827 2.981 -16.132 1.00 53.44 H new ATOM 0 HD11 LEU A 34 -7.668 1.257 -17.723 1.00 13.12 H new ATOM 0 HD12 LEU A 34 -8.405 1.130 -16.108 1.00 13.12 H new ATOM 0 HD13 LEU A 34 -9.325 1.848 -17.451 1.00 13.12 H new ATOM 0 HD21 LEU A 34 -6.857 3.391 -18.596 1.00 64.13 H new ATOM 0 HD22 LEU A 34 -8.425 4.214 -18.416 1.00 64.13 H new ATOM 0 HD23 LEU A 34 -6.971 4.890 -17.643 1.00 64.13 H new ATOM 583 N GLU A 35 -11.377 3.601 -16.768 1.00 41.21 N ATOM 584 CA GLU A 35 -12.287 2.931 -17.701 1.00 24.31 C ATOM 585 C GLU A 35 -13.522 3.799 -18.006 1.00 71.03 C ATOM 586 O GLU A 35 -14.141 3.626 -19.056 1.00 71.34 O ATOM 587 CB GLU A 35 -12.645 1.495 -17.207 1.00 61.34 C ATOM 588 CG GLU A 35 -13.399 1.380 -15.858 1.00 45.20 C ATOM 589 CD GLU A 35 -14.897 1.726 -15.927 1.00 51.25 C ATOM 590 OE1 GLU A 35 -15.648 1.038 -16.656 1.00 44.31 O ATOM 591 OE2 GLU A 35 -15.332 2.675 -15.247 1.00 74.24 O ATOM 0 H GLU A 35 -11.396 3.212 -15.825 1.00 41.21 H new ATOM 0 HA GLU A 35 -11.770 2.804 -18.652 1.00 24.31 H new ATOM 0 HB2 GLU A 35 -13.251 1.014 -17.975 1.00 61.34 H new ATOM 0 HB3 GLU A 35 -11.720 0.924 -17.127 1.00 61.34 H new ATOM 0 HG2 GLU A 35 -13.292 0.362 -15.483 1.00 45.20 H new ATOM 0 HG3 GLU A 35 -12.921 2.039 -15.133 1.00 45.20 H new ATOM 598 N LYS A 36 -13.864 4.751 -17.085 1.00 73.40 N ATOM 599 CA LYS A 36 -14.820 5.852 -17.391 1.00 43.13 C ATOM 600 C LYS A 36 -14.279 6.750 -18.527 1.00 41.33 C ATOM 601 O LYS A 36 -15.002 7.601 -19.050 1.00 5.33 O ATOM 602 CB LYS A 36 -15.116 6.711 -16.121 1.00 2.45 C ATOM 603 CG LYS A 36 -15.853 5.946 -14.998 1.00 20.24 C ATOM 604 CD LYS A 36 -16.186 6.812 -13.758 1.00 5.33 C ATOM 605 CE LYS A 36 -17.262 7.873 -14.041 1.00 30.01 C ATOM 606 NZ LYS A 36 -17.608 8.651 -12.819 1.00 75.31 N ATOM 0 H LYS A 36 -13.494 4.775 -16.135 1.00 73.40 H new ATOM 0 HA LYS A 36 -15.753 5.396 -17.721 1.00 43.13 H new ATOM 0 HB2 LYS A 36 -14.175 7.094 -15.727 1.00 2.45 H new ATOM 0 HB3 LYS A 36 -15.715 7.574 -16.411 1.00 2.45 H new ATOM 0 HG2 LYS A 36 -16.779 5.535 -15.400 1.00 20.24 H new ATOM 0 HG3 LYS A 36 -15.239 5.102 -14.684 1.00 20.24 H new ATOM 0 HD2 LYS A 36 -16.525 6.165 -12.949 1.00 5.33 H new ATOM 0 HD3 LYS A 36 -15.278 7.306 -13.412 1.00 5.33 H new ATOM 0 HE2 LYS A 36 -16.907 8.553 -14.816 1.00 30.01 H new ATOM 0 HE3 LYS A 36 -18.158 7.388 -14.428 1.00 30.01 H new ATOM 0 HZ1 LYS A 36 -18.337 9.356 -13.051 1.00 75.31 H new ATOM 0 HZ2 LYS A 36 -17.970 8.006 -12.088 1.00 75.31 H new ATOM 0 HZ3 LYS A 36 -16.759 9.135 -12.464 1.00 75.31 H new ATOM 620 N ALA A 37 -12.974 6.575 -18.823 1.00 55.54 N ATOM 621 CA ALA A 37 -12.278 7.108 -20.011 1.00 31.22 C ATOM 622 C ALA A 37 -11.891 8.538 -19.736 1.00 45.41 C ATOM 623 O ALA A 37 -12.423 9.497 -20.312 1.00 2.12 O ATOM 624 CB ALA A 37 -13.049 6.906 -21.335 1.00 74.52 C ATOM 0 H ALA A 37 -12.353 6.038 -18.217 1.00 55.54 H new ATOM 0 HA ALA A 37 -11.371 6.527 -20.177 1.00 31.22 H new ATOM 0 HB1 ALA A 37 -12.472 7.324 -22.160 1.00 74.52 H new ATOM 0 HB2 ALA A 37 -13.206 5.841 -21.506 1.00 74.52 H new ATOM 0 HB3 ALA A 37 -14.014 7.410 -21.275 1.00 74.52 H new ATOM 630 N THR A 38 -11.020 8.640 -18.729 1.00 72.14 N ATOM 631 CA THR A 38 -10.551 9.927 -18.176 1.00 50.43 C ATOM 632 C THR A 38 -9.807 10.824 -19.205 1.00 62.22 C ATOM 633 O THR A 38 -9.350 10.367 -20.262 1.00 45.51 O ATOM 634 CB THR A 38 -9.632 9.667 -16.956 1.00 70.10 C ATOM 635 OG1 THR A 38 -9.201 10.897 -16.363 1.00 52.34 O ATOM 636 CG2 THR A 38 -8.420 8.822 -17.353 1.00 74.32 C ATOM 0 H THR A 38 -10.613 7.828 -18.266 1.00 72.14 H new ATOM 0 HA THR A 38 -11.446 10.475 -17.881 1.00 50.43 H new ATOM 0 HB THR A 38 -10.215 9.114 -16.219 1.00 70.10 H new ATOM 0 HG1 THR A 38 -8.878 10.726 -15.454 1.00 52.34 H new ATOM 0 HG21 THR A 38 -7.791 8.654 -16.479 1.00 74.32 H new ATOM 0 HG22 THR A 38 -8.758 7.863 -17.746 1.00 74.32 H new ATOM 0 HG23 THR A 38 -7.846 9.346 -18.117 1.00 74.32 H new ATOM 644 N GLN A 39 -9.672 12.107 -18.839 1.00 14.40 N ATOM 645 CA GLN A 39 -9.085 13.170 -19.681 1.00 41.31 C ATOM 646 C GLN A 39 -7.839 13.781 -19.007 1.00 40.21 C ATOM 647 O GLN A 39 -6.917 14.234 -19.694 1.00 14.44 O ATOM 648 CB GLN A 39 -10.172 14.241 -20.018 1.00 62.42 C ATOM 649 CG GLN A 39 -11.122 14.620 -18.848 1.00 42.13 C ATOM 650 CD GLN A 39 -10.518 15.530 -17.771 1.00 53.11 C ATOM 651 OE1 GLN A 39 -10.839 15.406 -16.587 1.00 14.20 O ATOM 652 NE2 GLN A 39 -9.668 16.470 -18.163 1.00 1.04 N ATOM 0 H GLN A 39 -9.975 12.447 -17.926 1.00 14.40 H new ATOM 0 HA GLN A 39 -8.745 12.739 -20.623 1.00 41.31 H new ATOM 0 HB2 GLN A 39 -9.671 15.145 -20.364 1.00 62.42 H new ATOM 0 HB3 GLN A 39 -10.775 13.873 -20.848 1.00 62.42 H new ATOM 0 HG2 GLN A 39 -12.001 15.113 -19.263 1.00 42.13 H new ATOM 0 HG3 GLN A 39 -11.466 13.702 -18.371 1.00 42.13 H new ATOM 0 HE21 GLN A 39 -9.418 16.553 -19.148 1.00 1.04 H new ATOM 0 HE22 GLN A 39 -9.265 17.110 -17.479 1.00 1.04 H new ATOM 661 N ARG A 40 -7.827 13.761 -17.657 1.00 42.11 N ATOM 662 CA ARG A 40 -6.645 14.102 -16.836 1.00 30.11 C ATOM 663 C ARG A 40 -6.768 13.382 -15.475 1.00 72.42 C ATOM 664 O ARG A 40 -7.844 12.888 -15.120 1.00 43.15 O ATOM 665 CB ARG A 40 -6.488 15.643 -16.638 1.00 73.45 C ATOM 666 CG ARG A 40 -7.370 16.252 -15.529 1.00 31.12 C ATOM 667 CD ARG A 40 -7.272 17.784 -15.447 1.00 44.51 C ATOM 668 NE ARG A 40 -5.895 18.277 -15.253 1.00 42.31 N ATOM 669 CZ ARG A 40 -5.300 18.464 -14.064 1.00 2.20 C ATOM 670 NH1 ARG A 40 -5.926 18.199 -12.929 1.00 13.34 N ATOM 671 NH2 ARG A 40 -4.069 18.921 -14.021 1.00 74.44 N ATOM 0 H ARG A 40 -8.644 13.506 -17.102 1.00 42.11 H new ATOM 0 HA ARG A 40 -5.748 13.768 -17.358 1.00 30.11 H new ATOM 0 HB2 ARG A 40 -5.444 15.860 -16.411 1.00 73.45 H new ATOM 0 HB3 ARG A 40 -6.720 16.140 -17.580 1.00 73.45 H new ATOM 0 HG2 ARG A 40 -8.408 15.970 -15.704 1.00 31.12 H new ATOM 0 HG3 ARG A 40 -7.081 15.824 -14.569 1.00 31.12 H new ATOM 0 HD2 ARG A 40 -7.678 18.215 -16.362 1.00 44.51 H new ATOM 0 HD3 ARG A 40 -7.895 18.136 -14.625 1.00 44.51 H new ATOM 0 HE ARG A 40 -5.352 18.493 -16.089 1.00 42.31 H new ATOM 0 HH11 ARG A 40 -6.882 17.844 -12.945 1.00 13.34 H new ATOM 0 HH12 ARG A 40 -5.452 18.349 -12.038 1.00 13.34 H new ATOM 0 HH21 ARG A 40 -3.572 19.131 -14.887 1.00 74.44 H new ATOM 0 HH22 ARG A 40 -3.610 19.066 -13.122 1.00 74.44 H new ATOM 685 N GLN A 41 -5.684 13.390 -14.699 1.00 12.02 N ATOM 686 CA GLN A 41 -5.606 12.656 -13.423 1.00 21.10 C ATOM 687 C GLN A 41 -4.707 13.428 -12.442 1.00 2.24 C ATOM 688 O GLN A 41 -5.079 13.603 -11.281 1.00 55.32 O ATOM 689 CB GLN A 41 -5.088 11.203 -13.675 1.00 70.31 C ATOM 690 CG GLN A 41 -3.674 11.137 -14.285 1.00 54.34 C ATOM 691 CD GLN A 41 -3.327 9.827 -14.961 1.00 32.14 C ATOM 692 OE1 GLN A 41 -3.635 9.735 -16.247 1.00 3.43 O flip ATOM 693 NE2 GLN A 41 -2.779 8.913 -14.354 1.00 74.21 N flip ATOM 0 H GLN A 41 -4.833 13.903 -14.931 1.00 12.02 H new ATOM 0 HA GLN A 41 -6.597 12.575 -12.976 1.00 21.10 H new ATOM 0 HB2 GLN A 41 -5.091 10.659 -12.731 1.00 70.31 H new ATOM 0 HB3 GLN A 41 -5.783 10.691 -14.340 1.00 70.31 H new ATOM 0 HG2 GLN A 41 -3.571 11.942 -15.013 1.00 54.34 H new ATOM 0 HG3 GLN A 41 -2.946 11.325 -13.496 1.00 54.34 H new ATOM 0 HE21 GLN A 41 -2.557 9.019 -13.364 1.00 74.21 H new ATOM 0 HE22 GLN A 41 -2.545 8.047 -14.839 1.00 74.21 H new ATOM 702 N GLU A 42 -3.546 13.914 -12.956 1.00 52.31 N ATOM 703 CA GLU A 42 -2.528 14.665 -12.186 1.00 45.05 C ATOM 704 C GLU A 42 -2.233 13.969 -10.833 1.00 61.30 C ATOM 705 O GLU A 42 -2.577 14.479 -9.758 1.00 52.34 O ATOM 706 CB GLU A 42 -2.983 16.144 -12.004 1.00 12.24 C ATOM 707 CG GLU A 42 -1.928 17.089 -11.370 1.00 13.52 C ATOM 708 CD GLU A 42 -2.538 18.406 -10.862 1.00 71.31 C ATOM 709 OE1 GLU A 42 -3.106 18.418 -9.747 1.00 51.05 O ATOM 710 OE2 GLU A 42 -2.472 19.431 -11.568 1.00 60.14 O ATOM 0 H GLU A 42 -3.290 13.790 -13.936 1.00 52.31 H new ATOM 0 HA GLU A 42 -1.591 14.673 -12.744 1.00 45.05 H new ATOM 0 HB2 GLU A 42 -3.265 16.543 -12.979 1.00 12.24 H new ATOM 0 HB3 GLU A 42 -3.879 16.158 -11.383 1.00 12.24 H new ATOM 0 HG2 GLU A 42 -1.439 16.577 -10.541 1.00 13.52 H new ATOM 0 HG3 GLU A 42 -1.156 17.312 -12.107 1.00 13.52 H new ATOM 717 N ARG A 43 -1.690 12.746 -10.916 1.00 50.15 N ATOM 718 CA ARG A 43 -1.377 11.923 -9.732 1.00 32.10 C ATOM 719 C ARG A 43 -0.292 12.607 -8.890 1.00 60.12 C ATOM 720 O ARG A 43 -0.472 12.853 -7.692 1.00 20.25 O ATOM 721 CB ARG A 43 -0.920 10.505 -10.157 1.00 20.44 C ATOM 722 CG ARG A 43 -1.943 9.738 -11.031 1.00 21.44 C ATOM 723 CD ARG A 43 -1.411 8.365 -11.479 1.00 70.41 C ATOM 724 NE ARG A 43 -0.132 8.491 -12.210 1.00 21.12 N ATOM 725 CZ ARG A 43 1.042 7.954 -11.827 1.00 13.12 C ATOM 726 NH1 ARG A 43 1.134 7.237 -10.710 1.00 2.15 N ATOM 727 NH2 ARG A 43 2.123 8.145 -12.569 1.00 55.31 N ATOM 0 H ARG A 43 -1.455 12.298 -11.802 1.00 50.15 H new ATOM 0 HA ARG A 43 -2.279 11.822 -9.129 1.00 32.10 H new ATOM 0 HB2 ARG A 43 0.018 10.588 -10.706 1.00 20.44 H new ATOM 0 HB3 ARG A 43 -0.714 9.919 -9.261 1.00 20.44 H new ATOM 0 HG2 ARG A 43 -2.868 9.602 -10.470 1.00 21.44 H new ATOM 0 HG3 ARG A 43 -2.188 10.335 -11.909 1.00 21.44 H new ATOM 0 HD2 ARG A 43 -1.271 7.726 -10.607 1.00 70.41 H new ATOM 0 HD3 ARG A 43 -2.149 7.878 -12.116 1.00 70.41 H new ATOM 0 HE ARG A 43 -0.140 9.029 -13.076 1.00 21.12 H new ATOM 0 HH11 ARG A 43 0.308 7.088 -10.130 1.00 2.15 H new ATOM 0 HH12 ARG A 43 2.030 6.837 -10.433 1.00 2.15 H new ATOM 0 HH21 ARG A 43 2.063 8.696 -13.425 1.00 55.31 H new ATOM 0 HH22 ARG A 43 3.015 7.741 -12.284 1.00 55.31 H new ATOM 741 N PHE A 44 0.820 12.945 -9.551 1.00 1.04 N ATOM 742 CA PHE A 44 1.954 13.645 -8.929 1.00 63.02 C ATOM 743 C PHE A 44 2.283 14.903 -9.739 1.00 41.14 C ATOM 744 O PHE A 44 1.389 15.551 -10.304 1.00 74.13 O ATOM 745 CB PHE A 44 3.170 12.690 -8.843 1.00 34.52 C ATOM 746 CG PHE A 44 4.388 13.287 -8.139 1.00 53.04 C ATOM 747 CD1 PHE A 44 5.590 13.509 -8.820 1.00 73.42 C ATOM 748 CD2 PHE A 44 4.321 13.643 -6.789 1.00 73.44 C ATOM 749 CE1 PHE A 44 6.680 14.063 -8.171 1.00 33.23 C ATOM 750 CE2 PHE A 44 5.414 14.196 -6.144 1.00 50.32 C ATOM 751 CZ PHE A 44 6.591 14.406 -6.835 1.00 44.12 C ATOM 0 H PHE A 44 0.962 12.740 -10.540 1.00 1.04 H new ATOM 0 HA PHE A 44 1.695 13.952 -7.916 1.00 63.02 H new ATOM 0 HB2 PHE A 44 2.869 11.783 -8.318 1.00 34.52 H new ATOM 0 HB3 PHE A 44 3.457 12.394 -9.852 1.00 34.52 H new ATOM 0 HD1 PHE A 44 5.668 13.245 -9.864 1.00 73.42 H new ATOM 0 HD2 PHE A 44 3.404 13.484 -6.241 1.00 73.44 H new ATOM 0 HE1 PHE A 44 7.602 14.228 -8.710 1.00 33.23 H new ATOM 0 HE2 PHE A 44 5.346 14.463 -5.100 1.00 50.32 H new ATOM 0 HZ PHE A 44 7.443 14.839 -6.331 1.00 44.12 H new TER 761 PHE A 44 ATOM 762 N ASP B 101 7.895 -19.590 22.392 1.00 64.30 N ATOM 763 CA ASP B 101 6.911 -18.507 22.345 1.00 73.25 C ATOM 764 C ASP B 101 7.492 -17.317 21.585 1.00 23.24 C ATOM 765 O ASP B 101 6.818 -16.668 20.787 1.00 53.51 O ATOM 766 CB ASP B 101 6.490 -18.079 23.769 1.00 74.44 C ATOM 767 CG ASP B 101 6.004 -19.261 24.623 1.00 23.10 C ATOM 768 OD1 ASP B 101 6.817 -19.841 25.378 1.00 33.55 O ATOM 769 OD2 ASP B 101 4.817 -19.636 24.531 1.00 1.43 O ATOM 0 HA ASP B 101 6.023 -18.867 21.826 1.00 73.25 H new ATOM 0 HB2 ASP B 101 7.334 -17.600 24.265 1.00 74.44 H new ATOM 0 HB3 ASP B 101 5.697 -17.335 23.701 1.00 74.44 H new ATOM 774 N PHE B 102 8.770 -17.069 21.839 1.00 21.31 N ATOM 775 CA PHE B 102 9.508 -15.946 21.281 1.00 52.23 C ATOM 776 C PHE B 102 10.110 -16.299 19.912 1.00 14.14 C ATOM 777 O PHE B 102 10.225 -15.435 19.021 1.00 41.21 O ATOM 778 CB PHE B 102 10.575 -15.532 22.309 1.00 12.53 C ATOM 779 CG PHE B 102 9.986 -15.153 23.678 1.00 43.10 C ATOM 780 CD1 PHE B 102 10.340 -15.842 24.840 1.00 34.32 C ATOM 781 CD2 PHE B 102 9.067 -14.105 23.790 1.00 1.00 C ATOM 782 CE1 PHE B 102 9.794 -15.490 26.065 1.00 43.53 C ATOM 783 CE2 PHE B 102 8.528 -13.755 25.011 1.00 60.14 C ATOM 784 CZ PHE B 102 8.894 -14.446 26.149 1.00 64.31 C ATOM 0 H PHE B 102 9.334 -17.657 22.453 1.00 21.31 H new ATOM 0 HA PHE B 102 8.842 -15.103 21.096 1.00 52.23 H new ATOM 0 HB2 PHE B 102 11.281 -16.352 22.440 1.00 12.53 H new ATOM 0 HB3 PHE B 102 11.138 -14.685 21.917 1.00 12.53 H new ATOM 0 HD1 PHE B 102 11.046 -16.657 24.784 1.00 34.32 H new ATOM 0 HD2 PHE B 102 8.774 -13.560 22.905 1.00 1.00 H new ATOM 0 HE1 PHE B 102 10.073 -16.034 26.955 1.00 43.53 H new ATOM 0 HE2 PHE B 102 7.821 -12.942 25.077 1.00 60.14 H new ATOM 0 HZ PHE B 102 8.476 -14.170 27.106 1.00 64.31 H new ATOM 794 N LYS B 103 10.458 -17.588 19.732 1.00 15.22 N ATOM 795 CA LYS B 103 10.945 -18.087 18.434 1.00 14.33 C ATOM 796 C LYS B 103 9.795 -18.012 17.410 1.00 33.21 C ATOM 797 O LYS B 103 9.981 -17.555 16.274 1.00 44.44 O ATOM 798 CB LYS B 103 11.547 -19.533 18.532 1.00 74.24 C ATOM 799 CG LYS B 103 10.540 -20.720 18.623 1.00 74.43 C ATOM 800 CD LYS B 103 9.782 -20.831 19.976 1.00 62.34 C ATOM 801 CE LYS B 103 10.579 -21.552 21.083 1.00 34.43 C ATOM 802 NZ LYS B 103 11.864 -20.884 21.422 1.00 32.42 N ATOM 0 H LYS B 103 10.411 -18.297 20.464 1.00 15.22 H new ATOM 0 HA LYS B 103 11.767 -17.453 18.103 1.00 14.33 H new ATOM 0 HB2 LYS B 103 12.181 -19.694 17.660 1.00 74.24 H new ATOM 0 HB3 LYS B 103 12.194 -19.571 19.409 1.00 74.24 H new ATOM 0 HG2 LYS B 103 9.809 -20.620 17.821 1.00 74.43 H new ATOM 0 HG3 LYS B 103 11.080 -21.650 18.448 1.00 74.43 H new ATOM 0 HD2 LYS B 103 9.526 -19.829 20.321 1.00 62.34 H new ATOM 0 HD3 LYS B 103 8.844 -21.362 19.813 1.00 62.34 H new ATOM 0 HE2 LYS B 103 9.964 -21.614 21.980 1.00 34.43 H new ATOM 0 HE3 LYS B 103 10.783 -22.574 20.765 1.00 34.43 H new ATOM 0 HZ1 LYS B 103 12.170 -21.182 22.370 1.00 32.42 H new ATOM 0 HZ2 LYS B 103 12.588 -21.150 20.725 1.00 32.42 H new ATOM 0 HZ3 LYS B 103 11.733 -19.852 21.408 1.00 32.42 H new ATOM 816 N LYS B 104 8.579 -18.402 17.866 1.00 5.20 N ATOM 817 CA LYS B 104 7.380 -18.395 17.032 1.00 51.23 C ATOM 818 C LYS B 104 6.839 -16.977 16.883 1.00 22.13 C ATOM 819 O LYS B 104 6.157 -16.722 15.906 1.00 31.43 O ATOM 820 CB LYS B 104 6.273 -19.369 17.557 1.00 55.23 C ATOM 821 CG LYS B 104 5.749 -19.115 19.003 1.00 5.04 C ATOM 822 CD LYS B 104 4.247 -18.702 19.105 1.00 4.51 C ATOM 823 CE LYS B 104 3.964 -17.259 18.655 1.00 3.52 C ATOM 824 NZ LYS B 104 2.533 -16.883 18.826 1.00 51.21 N ATOM 0 H LYS B 104 8.416 -18.726 18.819 1.00 5.20 H new ATOM 0 HA LYS B 104 7.673 -18.763 16.049 1.00 51.23 H new ATOM 0 HB2 LYS B 104 5.425 -19.321 16.874 1.00 55.23 H new ATOM 0 HB3 LYS B 104 6.663 -20.386 17.510 1.00 55.23 H new ATOM 0 HG2 LYS B 104 5.901 -20.020 19.591 1.00 5.04 H new ATOM 0 HG3 LYS B 104 6.356 -18.333 19.460 1.00 5.04 H new ATOM 0 HD2 LYS B 104 3.651 -19.384 18.499 1.00 4.51 H new ATOM 0 HD3 LYS B 104 3.917 -18.821 20.137 1.00 4.51 H new ATOM 0 HE2 LYS B 104 4.588 -16.573 19.228 1.00 3.52 H new ATOM 0 HE3 LYS B 104 4.244 -17.146 17.608 1.00 3.52 H new ATOM 0 HZ1 LYS B 104 2.391 -15.903 18.509 1.00 51.21 H new ATOM 0 HZ2 LYS B 104 1.937 -17.519 18.259 1.00 51.21 H new ATOM 0 HZ3 LYS B 104 2.270 -16.964 19.829 1.00 51.21 H new ATOM 838 N LEU B 105 7.110 -16.057 17.864 1.00 21.40 N ATOM 839 CA LEU B 105 6.674 -14.641 17.724 1.00 31.23 C ATOM 840 C LEU B 105 7.320 -14.076 16.460 1.00 51.31 C ATOM 841 O LEU B 105 6.644 -13.438 15.629 1.00 73.11 O ATOM 842 CB LEU B 105 6.956 -13.750 19.015 1.00 4.22 C ATOM 843 CG LEU B 105 8.282 -12.867 19.122 1.00 31.11 C ATOM 844 CD1 LEU B 105 8.259 -11.590 18.244 1.00 41.45 C ATOM 845 CD2 LEU B 105 8.575 -12.471 20.581 1.00 34.34 C ATOM 0 H LEU B 105 7.610 -16.267 18.728 1.00 21.40 H new ATOM 0 HA LEU B 105 5.588 -14.613 17.631 1.00 31.23 H new ATOM 0 HB2 LEU B 105 6.110 -13.073 19.128 1.00 4.22 H new ATOM 0 HB3 LEU B 105 6.946 -14.419 19.875 1.00 4.22 H new ATOM 0 HG LEU B 105 9.077 -13.508 18.741 1.00 31.11 H new ATOM 0 HD11 LEU B 105 9.194 -11.044 18.371 1.00 41.45 H new ATOM 0 HD12 LEU B 105 8.142 -11.870 17.197 1.00 41.45 H new ATOM 0 HD13 LEU B 105 7.425 -10.956 18.545 1.00 41.45 H new ATOM 0 HD21 LEU B 105 9.484 -11.871 20.620 1.00 34.34 H new ATOM 0 HD22 LEU B 105 7.740 -11.891 20.975 1.00 34.34 H new ATOM 0 HD23 LEU B 105 8.708 -13.370 21.182 1.00 34.34 H new ATOM 857 N TYR B 106 8.647 -14.352 16.314 1.00 3.43 N ATOM 858 CA TYR B 106 9.400 -13.921 15.140 1.00 14.02 C ATOM 859 C TYR B 106 8.813 -14.572 13.881 1.00 24.55 C ATOM 860 O TYR B 106 8.578 -13.882 12.901 1.00 60.11 O ATOM 861 CB TYR B 106 10.924 -14.204 15.263 1.00 63.15 C ATOM 862 CG TYR B 106 11.744 -13.410 14.228 1.00 50.32 C ATOM 863 CD1 TYR B 106 12.035 -12.067 14.442 1.00 23.13 C ATOM 864 CD2 TYR B 106 12.169 -13.971 13.029 1.00 61.24 C ATOM 865 CE1 TYR B 106 12.714 -11.313 13.513 1.00 11.42 C ATOM 866 CE2 TYR B 106 12.866 -13.222 12.097 1.00 4.53 C ATOM 867 CZ TYR B 106 13.129 -11.892 12.348 1.00 62.15 C ATOM 868 OH TYR B 106 13.796 -11.131 11.409 1.00 24.15 O ATOM 0 H TYR B 106 9.198 -14.868 17.000 1.00 3.43 H new ATOM 0 HA TYR B 106 9.302 -12.838 15.065 1.00 14.02 H new ATOM 0 HB2 TYR B 106 11.261 -13.946 16.267 1.00 63.15 H new ATOM 0 HB3 TYR B 106 11.107 -15.270 15.129 1.00 63.15 H new ATOM 0 HD1 TYR B 106 11.719 -11.602 15.364 1.00 23.13 H new ATOM 0 HD2 TYR B 106 11.952 -15.008 12.821 1.00 61.24 H new ATOM 0 HE1 TYR B 106 12.918 -10.270 13.704 1.00 11.42 H new ATOM 0 HE2 TYR B 106 13.202 -13.677 11.177 1.00 4.53 H new ATOM 0 HH TYR B 106 14.025 -11.690 10.637 1.00 24.15 H new ATOM 878 N GLU B 107 8.523 -15.889 13.956 1.00 73.53 N ATOM 879 CA GLU B 107 7.993 -16.658 12.821 1.00 1.33 C ATOM 880 C GLU B 107 6.649 -16.099 12.319 1.00 11.24 C ATOM 881 O GLU B 107 6.474 -15.956 11.115 1.00 3.43 O ATOM 882 CB GLU B 107 7.826 -18.150 13.205 1.00 73.34 C ATOM 883 CG GLU B 107 9.135 -18.935 13.448 1.00 12.55 C ATOM 884 CD GLU B 107 10.075 -19.040 12.225 1.00 61.51 C ATOM 885 OE1 GLU B 107 11.307 -19.054 12.418 1.00 64.34 O ATOM 886 OE2 GLU B 107 9.597 -19.134 11.070 1.00 61.45 O ATOM 0 H GLU B 107 8.651 -16.442 14.803 1.00 73.53 H new ATOM 0 HA GLU B 107 8.717 -16.569 12.011 1.00 1.33 H new ATOM 0 HB2 GLU B 107 7.218 -18.207 14.108 1.00 73.34 H new ATOM 0 HB3 GLU B 107 7.268 -18.649 12.413 1.00 73.34 H new ATOM 0 HG2 GLU B 107 9.679 -18.460 14.265 1.00 12.55 H new ATOM 0 HG3 GLU B 107 8.880 -19.942 13.778 1.00 12.55 H new ATOM 893 N GLN B 108 5.717 -15.770 13.247 1.00 51.25 N ATOM 894 CA GLN B 108 4.329 -15.375 12.876 1.00 63.43 C ATOM 895 C GLN B 108 4.302 -14.004 12.198 1.00 14.14 C ATOM 896 O GLN B 108 3.740 -13.862 11.105 1.00 72.12 O ATOM 897 CB GLN B 108 3.349 -15.350 14.095 1.00 63.13 C ATOM 898 CG GLN B 108 3.264 -16.649 14.920 1.00 73.11 C ATOM 899 CD GLN B 108 3.296 -17.931 14.090 1.00 72.23 C ATOM 900 OE1 GLN B 108 4.491 -18.457 13.871 1.00 43.04 O flip ATOM 901 NE2 GLN B 108 2.267 -18.449 13.657 1.00 40.42 N flip ATOM 0 H GLN B 108 5.896 -15.769 14.251 1.00 51.25 H new ATOM 0 HA GLN B 108 3.988 -16.143 12.182 1.00 63.43 H new ATOM 0 HB2 GLN B 108 3.648 -14.540 14.760 1.00 63.13 H new ATOM 0 HB3 GLN B 108 2.351 -15.110 13.729 1.00 63.13 H new ATOM 0 HG2 GLN B 108 4.092 -16.669 15.628 1.00 73.11 H new ATOM 0 HG3 GLN B 108 2.345 -16.633 15.505 1.00 73.11 H new ATOM 0 HE21 GLN B 108 1.362 -18.018 13.844 1.00 40.42 H new ATOM 0 HE22 GLN B 108 2.320 -19.309 13.111 1.00 40.42 H new ATOM 910 N ILE B 109 4.912 -12.999 12.861 1.00 22.40 N ATOM 911 CA ILE B 109 4.847 -11.607 12.390 1.00 23.32 C ATOM 912 C ILE B 109 5.710 -11.423 11.119 1.00 31.41 C ATOM 913 O ILE B 109 5.355 -10.651 10.234 1.00 62.53 O ATOM 914 CB ILE B 109 5.308 -10.563 13.473 1.00 41.44 C ATOM 915 CG1 ILE B 109 4.774 -10.892 14.898 1.00 60.10 C ATOM 916 CG2 ILE B 109 4.862 -9.140 13.050 1.00 44.50 C ATOM 917 CD1 ILE B 109 5.348 -9.996 15.984 1.00 71.34 C ATOM 0 H ILE B 109 5.450 -13.128 13.718 1.00 22.40 H new ATOM 0 HA ILE B 109 3.797 -11.415 12.170 1.00 23.32 H new ATOM 0 HB ILE B 109 6.395 -10.614 13.527 1.00 41.44 H new ATOM 0 HG12 ILE B 109 3.688 -10.801 14.900 1.00 60.10 H new ATOM 0 HG13 ILE B 109 5.008 -11.930 15.134 1.00 60.10 H new ATOM 0 HG21 ILE B 109 5.183 -8.419 13.802 1.00 44.50 H new ATOM 0 HG22 ILE B 109 5.313 -8.888 12.090 1.00 44.50 H new ATOM 0 HG23 ILE B 109 3.776 -9.111 12.960 1.00 44.50 H new ATOM 0 HD11 ILE B 109 4.932 -10.282 16.950 1.00 71.34 H new ATOM 0 HD12 ILE B 109 6.432 -10.104 16.010 1.00 71.34 H new ATOM 0 HD13 ILE B 109 5.092 -8.958 15.772 1.00 71.34 H new ATOM 929 N LEU B 110 6.866 -12.132 11.059 1.00 21.03 N ATOM 930 CA LEU B 110 7.779 -12.091 9.885 1.00 43.43 C ATOM 931 C LEU B 110 7.139 -12.845 8.690 1.00 74.20 C ATOM 932 O LEU B 110 7.327 -12.452 7.537 1.00 34.34 O ATOM 933 CB LEU B 110 9.194 -12.672 10.230 1.00 24.23 C ATOM 934 CG LEU B 110 10.451 -12.032 9.522 1.00 43.02 C ATOM 935 CD1 LEU B 110 10.468 -12.218 7.987 1.00 12.50 C ATOM 936 CD2 LEU B 110 10.597 -10.544 9.901 1.00 4.14 C ATOM 0 H LEU B 110 7.189 -12.740 11.811 1.00 21.03 H new ATOM 0 HA LEU B 110 7.925 -11.048 9.603 1.00 43.43 H new ATOM 0 HB2 LEU B 110 9.337 -12.585 11.307 1.00 24.23 H new ATOM 0 HB3 LEU B 110 9.184 -13.736 9.995 1.00 24.23 H new ATOM 0 HG LEU B 110 11.315 -12.581 9.895 1.00 43.02 H new ATOM 0 HD11 LEU B 110 11.362 -11.751 7.574 1.00 12.50 H new ATOM 0 HD12 LEU B 110 10.471 -13.282 7.749 1.00 12.50 H new ATOM 0 HD13 LEU B 110 9.583 -11.752 7.554 1.00 12.50 H new ATOM 0 HD21 LEU B 110 11.470 -10.125 9.401 1.00 4.14 H new ATOM 0 HD22 LEU B 110 9.705 -10.000 9.590 1.00 4.14 H new ATOM 0 HD23 LEU B 110 10.719 -10.454 10.980 1.00 4.14 H new ATOM 948 N ALA B 111 6.385 -13.929 8.980 1.00 0.32 N ATOM 949 CA ALA B 111 5.598 -14.656 7.951 1.00 24.12 C ATOM 950 C ALA B 111 4.536 -13.733 7.350 1.00 35.24 C ATOM 951 O ALA B 111 4.334 -13.707 6.131 1.00 31.43 O ATOM 952 CB ALA B 111 4.918 -15.903 8.534 1.00 31.33 C ATOM 0 H ALA B 111 6.303 -14.322 9.918 1.00 0.32 H new ATOM 0 HA ALA B 111 6.292 -14.977 7.174 1.00 24.12 H new ATOM 0 HB1 ALA B 111 4.352 -16.408 7.751 1.00 31.33 H new ATOM 0 HB2 ALA B 111 5.676 -16.580 8.928 1.00 31.33 H new ATOM 0 HB3 ALA B 111 4.243 -15.607 9.337 1.00 31.33 H new ATOM 958 N GLU B 112 3.875 -12.969 8.239 1.00 35.10 N ATOM 959 CA GLU B 112 2.869 -11.979 7.849 1.00 24.50 C ATOM 960 C GLU B 112 3.539 -10.863 7.014 1.00 71.50 C ATOM 961 O GLU B 112 3.011 -10.465 5.993 1.00 42.02 O ATOM 962 CB GLU B 112 2.182 -11.372 9.102 1.00 43.23 C ATOM 963 CG GLU B 112 0.906 -10.547 8.806 1.00 12.41 C ATOM 964 CD GLU B 112 -0.338 -11.417 8.532 1.00 33.04 C ATOM 965 OE1 GLU B 112 -0.550 -11.823 7.372 1.00 10.13 O ATOM 966 OE2 GLU B 112 -1.123 -11.670 9.477 1.00 52.31 O ATOM 0 H GLU B 112 4.027 -13.025 9.246 1.00 35.10 H new ATOM 0 HA GLU B 112 2.105 -12.471 7.247 1.00 24.50 H new ATOM 0 HB2 GLU B 112 1.924 -12.181 9.786 1.00 43.23 H new ATOM 0 HB3 GLU B 112 2.899 -10.734 9.619 1.00 43.23 H new ATOM 0 HG2 GLU B 112 0.702 -9.891 9.653 1.00 12.41 H new ATOM 0 HG3 GLU B 112 1.089 -9.906 7.943 1.00 12.41 H new ATOM 973 N ASN B 113 4.741 -10.430 7.468 1.00 55.45 N ATOM 974 CA ASN B 113 5.581 -9.386 6.821 1.00 13.24 C ATOM 975 C ASN B 113 5.974 -9.797 5.377 1.00 34.41 C ATOM 976 O ASN B 113 5.985 -8.964 4.461 1.00 35.12 O ATOM 977 CB ASN B 113 6.847 -9.153 7.702 1.00 33.33 C ATOM 978 CG ASN B 113 7.875 -8.178 7.117 1.00 1.33 C ATOM 979 OD1 ASN B 113 8.762 -8.577 6.364 1.00 23.35 O ATOM 980 ND2 ASN B 113 7.792 -6.904 7.478 1.00 54.32 N ATOM 0 H ASN B 113 5.166 -10.805 8.316 1.00 55.45 H new ATOM 0 HA ASN B 113 5.013 -8.459 6.743 1.00 13.24 H new ATOM 0 HB2 ASN B 113 6.529 -8.781 8.676 1.00 33.33 H new ATOM 0 HB3 ASN B 113 7.335 -10.113 7.871 1.00 33.33 H new ATOM 0 HD21 ASN B 113 8.474 -6.230 7.130 1.00 54.32 H new ATOM 0 HD22 ASN B 113 7.047 -6.599 8.104 1.00 54.32 H new ATOM 987 N GLU B 114 6.271 -11.102 5.209 1.00 1.10 N ATOM 988 CA GLU B 114 6.571 -11.738 3.908 1.00 13.24 C ATOM 989 C GLU B 114 5.352 -11.656 2.978 1.00 51.24 C ATOM 990 O GLU B 114 5.467 -11.242 1.816 1.00 21.34 O ATOM 991 CB GLU B 114 7.012 -13.231 4.136 1.00 1.23 C ATOM 992 CG GLU B 114 6.529 -14.244 3.071 1.00 22.10 C ATOM 993 CD GLU B 114 7.060 -15.665 3.294 1.00 75.24 C ATOM 994 OE1 GLU B 114 7.873 -16.157 2.478 1.00 74.45 O ATOM 995 OE2 GLU B 114 6.647 -16.300 4.288 1.00 53.53 O ATOM 0 H GLU B 114 6.310 -11.757 5.990 1.00 1.10 H new ATOM 0 HA GLU B 114 7.392 -11.205 3.428 1.00 13.24 H new ATOM 0 HB2 GLU B 114 8.101 -13.267 4.177 1.00 1.23 H new ATOM 0 HB3 GLU B 114 6.645 -13.554 5.110 1.00 1.23 H new ATOM 0 HG2 GLU B 114 5.439 -14.268 3.071 1.00 22.10 H new ATOM 0 HG3 GLU B 114 6.840 -13.899 2.085 1.00 22.10 H new ATOM 1002 N LYS B 115 4.184 -12.047 3.527 1.00 73.15 N ATOM 1003 CA LYS B 115 2.908 -12.042 2.804 1.00 44.21 C ATOM 1004 C LYS B 115 2.538 -10.609 2.385 1.00 20.13 C ATOM 1005 O LYS B 115 2.074 -10.378 1.266 1.00 53.21 O ATOM 1006 CB LYS B 115 1.784 -12.628 3.695 1.00 34.35 C ATOM 1007 CG LYS B 115 0.390 -12.744 2.997 1.00 74.31 C ATOM 1008 CD LYS B 115 -0.791 -12.334 3.904 1.00 51.24 C ATOM 1009 CE LYS B 115 -0.781 -10.830 4.235 1.00 43.52 C ATOM 1010 NZ LYS B 115 -1.918 -10.460 5.112 1.00 22.32 N ATOM 0 H LYS B 115 4.105 -12.376 4.489 1.00 73.15 H new ATOM 0 HA LYS B 115 3.016 -12.659 1.912 1.00 44.21 H new ATOM 0 HB2 LYS B 115 2.088 -13.618 4.036 1.00 34.35 H new ATOM 0 HB3 LYS B 115 1.680 -12.004 4.582 1.00 34.35 H new ATOM 0 HG2 LYS B 115 0.386 -12.118 2.105 1.00 74.31 H new ATOM 0 HG3 LYS B 115 0.243 -13.772 2.666 1.00 74.31 H new ATOM 0 HD2 LYS B 115 -1.729 -12.589 3.412 1.00 51.24 H new ATOM 0 HD3 LYS B 115 -0.751 -12.908 4.830 1.00 51.24 H new ATOM 0 HE2 LYS B 115 0.157 -10.570 4.725 1.00 43.52 H new ATOM 0 HE3 LYS B 115 -0.829 -10.253 3.312 1.00 43.52 H new ATOM 0 HZ1 LYS B 115 -2.003 -9.424 5.151 1.00 22.32 H new ATOM 0 HZ2 LYS B 115 -2.797 -10.866 4.731 1.00 22.32 H new ATOM 0 HZ3 LYS B 115 -1.753 -10.830 6.070 1.00 22.32 H new ATOM 1024 N LEU B 116 2.807 -9.662 3.307 1.00 64.45 N ATOM 1025 CA LEU B 116 2.539 -8.229 3.125 1.00 74.32 C ATOM 1026 C LEU B 116 3.426 -7.651 2.011 1.00 52.13 C ATOM 1027 O LEU B 116 2.995 -6.782 1.262 1.00 54.44 O ATOM 1028 CB LEU B 116 2.754 -7.458 4.457 1.00 10.12 C ATOM 1029 CG LEU B 116 1.712 -7.735 5.591 1.00 1.03 C ATOM 1030 CD1 LEU B 116 2.184 -7.161 6.939 1.00 13.04 C ATOM 1031 CD2 LEU B 116 0.320 -7.198 5.218 1.00 61.40 C ATOM 0 H LEU B 116 3.223 -9.880 4.212 1.00 64.45 H new ATOM 0 HA LEU B 116 1.497 -8.109 2.828 1.00 74.32 H new ATOM 0 HB2 LEU B 116 3.746 -7.700 4.837 1.00 10.12 H new ATOM 0 HB3 LEU B 116 2.748 -6.390 4.240 1.00 10.12 H new ATOM 0 HG LEU B 116 1.631 -8.816 5.701 1.00 1.03 H new ATOM 0 HD11 LEU B 116 1.437 -7.371 7.705 1.00 13.04 H new ATOM 0 HD12 LEU B 116 3.131 -7.622 7.219 1.00 13.04 H new ATOM 0 HD13 LEU B 116 2.318 -6.083 6.848 1.00 13.04 H new ATOM 0 HD21 LEU B 116 -0.380 -7.407 6.027 1.00 61.40 H new ATOM 0 HD22 LEU B 116 0.377 -6.122 5.056 1.00 61.40 H new ATOM 0 HD23 LEU B 116 -0.025 -7.684 4.306 1.00 61.40 H new ATOM 1043 N LYS B 117 4.646 -8.181 1.896 1.00 34.54 N ATOM 1044 CA LYS B 117 5.604 -7.787 0.855 1.00 24.21 C ATOM 1045 C LYS B 117 5.132 -8.279 -0.529 1.00 33.15 C ATOM 1046 O LYS B 117 5.213 -7.541 -1.517 1.00 32.22 O ATOM 1047 CB LYS B 117 6.986 -8.365 1.223 1.00 65.35 C ATOM 1048 CG LYS B 117 8.048 -8.354 0.096 1.00 53.40 C ATOM 1049 CD LYS B 117 9.395 -8.982 0.537 1.00 72.33 C ATOM 1050 CE LYS B 117 9.209 -10.239 1.420 1.00 63.34 C ATOM 1051 NZ LYS B 117 10.423 -11.099 1.442 1.00 1.44 N ATOM 0 H LYS B 117 5.001 -8.900 2.526 1.00 34.54 H new ATOM 0 HA LYS B 117 5.674 -6.701 0.798 1.00 24.21 H new ATOM 0 HB2 LYS B 117 7.379 -7.803 2.071 1.00 65.35 H new ATOM 0 HB3 LYS B 117 6.850 -9.394 1.557 1.00 65.35 H new ATOM 0 HG2 LYS B 117 7.663 -8.899 -0.766 1.00 53.40 H new ATOM 0 HG3 LYS B 117 8.219 -7.327 -0.226 1.00 53.40 H new ATOM 0 HD2 LYS B 117 9.974 -9.247 -0.348 1.00 72.33 H new ATOM 0 HD3 LYS B 117 9.974 -8.240 1.086 1.00 72.33 H new ATOM 0 HE2 LYS B 117 8.965 -9.933 2.437 1.00 63.34 H new ATOM 0 HE3 LYS B 117 8.363 -10.818 1.050 1.00 63.34 H new ATOM 0 HZ1 LYS B 117 10.250 -11.928 2.046 1.00 1.44 H new ATOM 0 HZ2 LYS B 117 10.643 -11.414 0.476 1.00 1.44 H new ATOM 0 HZ3 LYS B 117 11.226 -10.557 1.820 1.00 1.44 H new ATOM 1065 N ALA B 118 4.599 -9.515 -0.568 1.00 73.25 N ATOM 1066 CA ALA B 118 4.163 -10.168 -1.821 1.00 3.45 C ATOM 1067 C ALA B 118 2.894 -9.498 -2.376 1.00 3.11 C ATOM 1068 O ALA B 118 2.796 -9.219 -3.583 1.00 0.05 O ATOM 1069 CB ALA B 118 3.926 -11.666 -1.571 1.00 64.23 C ATOM 0 H ALA B 118 4.458 -10.089 0.264 1.00 73.25 H new ATOM 0 HA ALA B 118 4.949 -10.056 -2.567 1.00 3.45 H new ATOM 0 HB1 ALA B 118 3.605 -12.143 -2.497 1.00 64.23 H new ATOM 0 HB2 ALA B 118 4.851 -12.128 -1.227 1.00 64.23 H new ATOM 0 HB3 ALA B 118 3.154 -11.790 -0.812 1.00 64.23 H new ATOM 1075 N GLN B 119 1.935 -9.226 -1.468 1.00 40.14 N ATOM 1076 CA GLN B 119 0.647 -8.619 -1.820 1.00 73.22 C ATOM 1077 C GLN B 119 0.831 -7.150 -2.236 1.00 41.21 C ATOM 1078 O GLN B 119 0.202 -6.705 -3.190 1.00 51.33 O ATOM 1079 CB GLN B 119 -0.380 -8.776 -0.647 1.00 61.41 C ATOM 1080 CG GLN B 119 -0.007 -8.055 0.674 1.00 72.21 C ATOM 1081 CD GLN B 119 -0.437 -6.590 0.764 1.00 1.33 C ATOM 1082 OE1 GLN B 119 0.373 -5.776 1.418 1.00 74.33 O flip ATOM 1083 NE2 GLN B 119 -1.462 -6.179 0.223 1.00 70.42 N flip ATOM 0 H GLN B 119 2.037 -9.423 -0.472 1.00 40.14 H new ATOM 0 HA GLN B 119 0.237 -9.148 -2.680 1.00 73.22 H new ATOM 0 HB2 GLN B 119 -1.347 -8.402 -0.983 1.00 61.41 H new ATOM 0 HB3 GLN B 119 -0.504 -9.838 -0.437 1.00 61.41 H new ATOM 0 HG2 GLN B 119 -0.455 -8.600 1.505 1.00 72.21 H new ATOM 0 HG3 GLN B 119 1.074 -8.108 0.805 1.00 72.21 H new ATOM 0 HE21 GLN B 119 -2.071 -6.828 -0.276 1.00 70.42 H new ATOM 0 HE22 GLN B 119 -1.703 -5.189 0.273 1.00 70.42 H new ATOM 1092 N LEU B 120 1.705 -6.395 -1.514 1.00 23.02 N ATOM 1093 CA LEU B 120 1.930 -4.965 -1.819 1.00 44.34 C ATOM 1094 C LEU B 120 2.616 -4.838 -3.175 1.00 20.11 C ATOM 1095 O LEU B 120 2.277 -3.952 -3.952 1.00 0.40 O ATOM 1096 CB LEU B 120 2.723 -4.222 -0.683 1.00 63.42 C ATOM 1097 CG LEU B 120 4.308 -4.324 -0.623 1.00 2.02 C ATOM 1098 CD1 LEU B 120 5.015 -3.276 -1.527 1.00 14.15 C ATOM 1099 CD2 LEU B 120 4.835 -4.203 0.822 1.00 3.55 C ATOM 0 H LEU B 120 2.254 -6.751 -0.731 1.00 23.02 H new ATOM 0 HA LEU B 120 0.961 -4.469 -1.867 1.00 44.34 H new ATOM 0 HB2 LEU B 120 2.469 -3.164 -0.749 1.00 63.42 H new ATOM 0 HB3 LEU B 120 2.339 -4.584 0.271 1.00 63.42 H new ATOM 0 HG LEU B 120 4.551 -5.314 -1.008 1.00 2.02 H new ATOM 0 HD11 LEU B 120 6.095 -3.394 -1.445 1.00 14.15 H new ATOM 0 HD12 LEU B 120 4.712 -3.426 -2.563 1.00 14.15 H new ATOM 0 HD13 LEU B 120 4.735 -2.272 -1.208 1.00 14.15 H new ATOM 0 HD21 LEU B 120 5.922 -4.278 0.820 1.00 3.55 H new ATOM 0 HD22 LEU B 120 4.538 -3.240 1.238 1.00 3.55 H new ATOM 0 HD23 LEU B 120 4.417 -5.005 1.430 1.00 3.55 H new ATOM 1111 N HIS B 121 3.573 -5.759 -3.450 1.00 42.23 N ATOM 1112 CA HIS B 121 4.310 -5.795 -4.720 1.00 72.12 C ATOM 1113 C HIS B 121 3.323 -5.955 -5.884 1.00 35.13 C ATOM 1114 O HIS B 121 3.433 -5.252 -6.885 1.00 22.34 O ATOM 1115 CB HIS B 121 5.367 -6.937 -4.732 1.00 14.34 C ATOM 1116 CG HIS B 121 6.251 -6.937 -5.957 1.00 3.02 C ATOM 1117 ND1 HIS B 121 7.375 -6.146 -6.063 1.00 21.10 N ATOM 1118 CD2 HIS B 121 6.161 -7.603 -7.136 1.00 41.14 C ATOM 1119 CE1 HIS B 121 7.931 -6.327 -7.240 1.00 72.41 C ATOM 1120 NE2 HIS B 121 7.217 -7.198 -7.906 1.00 42.35 N ATOM 0 H HIS B 121 3.848 -6.491 -2.795 1.00 42.23 H new ATOM 0 HA HIS B 121 4.849 -4.854 -4.834 1.00 72.12 H new ATOM 0 HB2 HIS B 121 5.993 -6.849 -3.844 1.00 14.34 H new ATOM 0 HB3 HIS B 121 4.853 -7.896 -4.666 1.00 14.34 H new ATOM 0 HD2 HIS B 121 5.400 -8.317 -7.414 1.00 41.14 H new ATOM 0 HE1 HIS B 121 8.826 -5.839 -7.597 1.00 72.41 H new ATOM 0 HE2 HIS B 121 7.416 -7.524 -8.852 1.00 42.35 H new ATOM 1129 N ASP B 122 2.335 -6.862 -5.691 1.00 44.41 N ATOM 1130 CA ASP B 122 1.243 -7.112 -6.650 1.00 63.44 C ATOM 1131 C ASP B 122 0.427 -5.829 -6.882 1.00 62.43 C ATOM 1132 O ASP B 122 0.266 -5.404 -8.022 1.00 2.32 O ATOM 1133 CB ASP B 122 0.325 -8.261 -6.140 1.00 3.02 C ATOM 1134 CG ASP B 122 -0.897 -8.507 -7.052 1.00 42.34 C ATOM 1135 OD1 ASP B 122 -0.726 -9.116 -8.133 1.00 73.53 O ATOM 1136 OD2 ASP B 122 -2.029 -8.114 -6.688 1.00 51.23 O ATOM 0 H ASP B 122 2.278 -7.444 -4.855 1.00 44.41 H new ATOM 0 HA ASP B 122 1.680 -7.417 -7.601 1.00 63.44 H new ATOM 0 HB2 ASP B 122 0.908 -9.179 -6.067 1.00 3.02 H new ATOM 0 HB3 ASP B 122 -0.021 -8.023 -5.134 1.00 3.02 H new ATOM 1141 N THR B 123 -0.009 -5.194 -5.774 1.00 63.44 N ATOM 1142 CA THR B 123 -0.841 -3.975 -5.802 1.00 61.43 C ATOM 1143 C THR B 123 -0.075 -2.790 -6.460 1.00 10.31 C ATOM 1144 O THR B 123 -0.682 -1.907 -7.074 1.00 31.25 O ATOM 1145 CB THR B 123 -1.304 -3.585 -4.348 1.00 72.14 C ATOM 1146 OG1 THR B 123 -1.720 -4.757 -3.631 1.00 63.24 O ATOM 1147 CG2 THR B 123 -2.475 -2.583 -4.354 1.00 13.44 C ATOM 0 H THR B 123 0.208 -5.515 -4.830 1.00 63.44 H new ATOM 0 HA THR B 123 -1.724 -4.187 -6.404 1.00 61.43 H new ATOM 0 HB THR B 123 -0.448 -3.116 -3.863 1.00 72.14 H new ATOM 0 HG1 THR B 123 -0.934 -5.295 -3.399 1.00 63.24 H new ATOM 0 HG21 THR B 123 -2.757 -2.346 -3.328 1.00 13.44 H new ATOM 0 HG22 THR B 123 -2.170 -1.670 -4.866 1.00 13.44 H new ATOM 0 HG23 THR B 123 -3.327 -3.023 -4.872 1.00 13.44 H new ATOM 1155 N ASN B 124 1.274 -2.806 -6.341 1.00 42.15 N ATOM 1156 CA ASN B 124 2.163 -1.787 -6.939 1.00 11.43 C ATOM 1157 C ASN B 124 2.322 -2.032 -8.451 1.00 11.42 C ATOM 1158 O ASN B 124 2.421 -1.076 -9.225 1.00 14.05 O ATOM 1159 CB ASN B 124 3.560 -1.764 -6.240 1.00 55.32 C ATOM 1160 CG ASN B 124 3.576 -1.137 -4.825 1.00 2.54 C ATOM 1161 OD1 ASN B 124 2.517 -1.293 -4.038 1.00 40.11 O flip ATOM 1162 ND2 ASN B 124 4.557 -0.517 -4.429 1.00 60.44 N flip ATOM 0 H ASN B 124 1.776 -3.529 -5.826 1.00 42.15 H new ATOM 0 HA ASN B 124 1.700 -0.812 -6.787 1.00 11.43 H new ATOM 0 HB2 ASN B 124 3.932 -2.786 -6.172 1.00 55.32 H new ATOM 0 HB3 ASN B 124 4.256 -1.213 -6.872 1.00 55.32 H new ATOM 0 HD21 ASN B 124 5.367 -0.401 -5.038 1.00 60.44 H new ATOM 0 HD22 ASN B 124 4.563 -0.118 -3.490 1.00 60.44 H new ATOM 1169 N MET B 125 2.346 -3.323 -8.861 1.00 43.22 N ATOM 1170 CA MET B 125 2.364 -3.720 -10.282 1.00 62.23 C ATOM 1171 C MET B 125 1.096 -3.238 -11.003 1.00 72.11 C ATOM 1172 O MET B 125 1.165 -2.769 -12.144 1.00 75.44 O ATOM 1173 CB MET B 125 2.480 -5.259 -10.413 1.00 24.44 C ATOM 1174 CG MET B 125 3.800 -5.839 -9.905 1.00 13.34 C ATOM 1175 SD MET B 125 5.229 -5.329 -10.888 1.00 60.40 S ATOM 1176 CE MET B 125 4.776 -5.881 -12.538 1.00 10.24 C ATOM 0 H MET B 125 2.353 -4.113 -8.215 1.00 43.22 H new ATOM 0 HA MET B 125 3.232 -3.253 -10.747 1.00 62.23 H new ATOM 0 HB2 MET B 125 1.659 -5.721 -9.864 1.00 24.44 H new ATOM 0 HB3 MET B 125 2.357 -5.532 -11.461 1.00 24.44 H new ATOM 0 HG2 MET B 125 3.950 -5.531 -8.870 1.00 13.34 H new ATOM 0 HG3 MET B 125 3.736 -6.927 -9.907 1.00 13.34 H new ATOM 0 HE1 MET B 125 5.670 -5.942 -13.159 1.00 10.24 H new ATOM 0 HE2 MET B 125 4.308 -6.864 -12.477 1.00 10.24 H new ATOM 0 HE3 MET B 125 4.075 -5.172 -12.979 1.00 10.24 H new ATOM 1186 N GLU B 126 -0.058 -3.361 -10.308 1.00 34.13 N ATOM 1187 CA GLU B 126 -1.361 -2.926 -10.840 1.00 71.43 C ATOM 1188 C GLU B 126 -1.442 -1.396 -10.847 1.00 55.25 C ATOM 1189 O GLU B 126 -2.064 -0.819 -11.714 1.00 51.50 O ATOM 1190 CB GLU B 126 -2.542 -3.490 -10.012 1.00 10.15 C ATOM 1191 CG GLU B 126 -2.407 -4.944 -9.577 1.00 51.31 C ATOM 1192 CD GLU B 126 -3.617 -5.452 -8.786 1.00 53.04 C ATOM 1193 OE1 GLU B 126 -4.529 -6.044 -9.401 1.00 54.25 O ATOM 1194 OE2 GLU B 126 -3.668 -5.252 -7.552 1.00 63.43 O ATOM 0 H GLU B 126 -0.108 -3.761 -9.371 1.00 34.13 H new ATOM 0 HA GLU B 126 -1.440 -3.313 -11.856 1.00 71.43 H new ATOM 0 HB2 GLU B 126 -2.665 -2.873 -9.122 1.00 10.15 H new ATOM 0 HB3 GLU B 126 -3.455 -3.388 -10.599 1.00 10.15 H new ATOM 0 HG2 GLU B 126 -2.269 -5.569 -10.459 1.00 51.31 H new ATOM 0 HG3 GLU B 126 -1.510 -5.052 -8.967 1.00 51.31 H new ATOM 1201 N LEU B 127 -0.799 -0.758 -9.852 1.00 44.12 N ATOM 1202 CA LEU B 127 -0.743 0.713 -9.745 1.00 41.22 C ATOM 1203 C LEU B 127 0.046 1.305 -10.947 1.00 74.03 C ATOM 1204 O LEU B 127 -0.327 2.351 -11.500 1.00 24.42 O ATOM 1205 CB LEU B 127 -0.112 1.116 -8.377 1.00 2.24 C ATOM 1206 CG LEU B 127 -0.133 2.636 -8.022 1.00 72.14 C ATOM 1207 CD1 LEU B 127 -1.578 3.153 -7.902 1.00 24.33 C ATOM 1208 CD2 LEU B 127 0.670 2.924 -6.735 1.00 52.42 C ATOM 0 H LEU B 127 -0.306 -1.244 -9.103 1.00 44.12 H new ATOM 0 HA LEU B 127 -1.751 1.125 -9.782 1.00 41.22 H new ATOM 0 HB2 LEU B 127 -0.633 0.574 -7.588 1.00 2.24 H new ATOM 0 HB3 LEU B 127 0.924 0.777 -8.366 1.00 2.24 H new ATOM 0 HG LEU B 127 0.350 3.174 -8.838 1.00 72.14 H new ATOM 0 HD11 LEU B 127 -1.565 4.214 -7.654 1.00 24.33 H new ATOM 0 HD12 LEU B 127 -2.096 3.008 -8.850 1.00 24.33 H new ATOM 0 HD13 LEU B 127 -2.097 2.603 -7.117 1.00 24.33 H new ATOM 0 HD21 LEU B 127 0.635 3.991 -6.516 1.00 52.42 H new ATOM 0 HD22 LEU B 127 0.236 2.368 -5.904 1.00 52.42 H new ATOM 0 HD23 LEU B 127 1.706 2.616 -6.876 1.00 52.42 H new ATOM 1220 N THR B 128 1.109 0.577 -11.364 1.00 30.32 N ATOM 1221 CA THR B 128 1.929 0.906 -12.553 1.00 2.31 C ATOM 1222 C THR B 128 1.132 0.619 -13.864 1.00 1.34 C ATOM 1223 O THR B 128 1.183 1.399 -14.827 1.00 3.34 O ATOM 1224 CB THR B 128 3.270 0.084 -12.538 1.00 43.55 C ATOM 1225 OG1 THR B 128 3.937 0.262 -11.271 1.00 73.40 O ATOM 1226 CG2 THR B 128 4.230 0.487 -13.683 1.00 43.25 C ATOM 0 H THR B 128 1.424 -0.263 -10.879 1.00 30.32 H new ATOM 0 HA THR B 128 2.171 1.968 -12.521 1.00 2.31 H new ATOM 0 HB THR B 128 3.004 -0.963 -12.687 1.00 43.55 H new ATOM 0 HG1 THR B 128 3.427 -0.189 -10.566 1.00 73.40 H new ATOM 0 HG21 THR B 128 5.139 -0.112 -13.624 1.00 43.25 H new ATOM 0 HG22 THR B 128 3.744 0.315 -14.643 1.00 43.25 H new ATOM 0 HG23 THR B 128 4.485 1.543 -13.590 1.00 43.25 H new ATOM 1234 N ASP B 129 0.375 -0.499 -13.854 1.00 53.23 N ATOM 1235 CA ASP B 129 -0.489 -0.938 -14.971 1.00 54.41 C ATOM 1236 C ASP B 129 -1.598 0.089 -15.233 1.00 52.31 C ATOM 1237 O ASP B 129 -1.855 0.474 -16.379 1.00 31.25 O ATOM 1238 CB ASP B 129 -1.115 -2.318 -14.626 1.00 35.43 C ATOM 1239 CG ASP B 129 -2.170 -2.778 -15.647 1.00 25.33 C ATOM 1240 OD1 ASP B 129 -1.781 -3.276 -16.722 1.00 51.20 O ATOM 1241 OD2 ASP B 129 -3.392 -2.658 -15.374 1.00 53.13 O ATOM 0 H ASP B 129 0.347 -1.133 -13.055 1.00 53.23 H new ATOM 0 HA ASP B 129 0.117 -1.026 -15.873 1.00 54.41 H new ATOM 0 HB2 ASP B 129 -0.323 -3.065 -14.570 1.00 35.43 H new ATOM 0 HB3 ASP B 129 -1.573 -2.265 -13.639 1.00 35.43 H new ATOM 1246 N LEU B 130 -2.227 0.534 -14.141 1.00 70.30 N ATOM 1247 CA LEU B 130 -3.365 1.440 -14.188 1.00 52.53 C ATOM 1248 C LEU B 130 -2.939 2.816 -14.681 1.00 33.41 C ATOM 1249 O LEU B 130 -3.627 3.389 -15.532 1.00 31.04 O ATOM 1250 CB LEU B 130 -4.103 1.529 -12.809 1.00 14.34 C ATOM 1251 CG LEU B 130 -5.384 0.640 -12.678 1.00 60.32 C ATOM 1252 CD1 LEU B 130 -6.335 0.880 -13.876 1.00 52.14 C ATOM 1253 CD2 LEU B 130 -5.053 -0.865 -12.513 1.00 23.33 C ATOM 0 H LEU B 130 -1.954 0.270 -13.194 1.00 70.30 H new ATOM 0 HA LEU B 130 -4.080 1.030 -14.901 1.00 52.53 H new ATOM 0 HB2 LEU B 130 -3.403 1.247 -12.022 1.00 14.34 H new ATOM 0 HB3 LEU B 130 -4.382 2.568 -12.631 1.00 14.34 H new ATOM 0 HG LEU B 130 -5.893 0.942 -11.763 1.00 60.32 H new ATOM 0 HD11 LEU B 130 -7.221 0.254 -13.769 1.00 52.14 H new ATOM 0 HD12 LEU B 130 -6.633 1.928 -13.900 1.00 52.14 H new ATOM 0 HD13 LEU B 130 -5.822 0.627 -14.804 1.00 52.14 H new ATOM 0 HD21 LEU B 130 -5.979 -1.434 -12.427 1.00 23.33 H new ATOM 0 HD22 LEU B 130 -4.494 -1.212 -13.382 1.00 23.33 H new ATOM 0 HD23 LEU B 130 -4.453 -1.009 -11.614 1.00 23.33 H new ATOM 1265 N LYS B 131 -1.798 3.334 -14.159 1.00 21.15 N ATOM 1266 CA LYS B 131 -1.288 4.661 -14.551 1.00 25.22 C ATOM 1267 C LYS B 131 -0.870 4.666 -16.040 1.00 4.32 C ATOM 1268 O LYS B 131 -0.936 5.704 -16.686 1.00 71.15 O ATOM 1269 CB LYS B 131 -0.141 5.147 -13.594 1.00 74.21 C ATOM 1270 CG LYS B 131 1.252 4.466 -13.737 1.00 51.54 C ATOM 1271 CD LYS B 131 2.150 5.098 -14.838 1.00 63.05 C ATOM 1272 CE LYS B 131 3.431 4.293 -15.105 1.00 11.21 C ATOM 1273 NZ LYS B 131 4.375 4.340 -13.964 1.00 12.40 N ATOM 0 H LYS B 131 -1.221 2.852 -13.470 1.00 21.15 H new ATOM 0 HA LYS B 131 -2.095 5.385 -14.443 1.00 25.22 H new ATOM 0 HB2 LYS B 131 -0.009 6.218 -13.745 1.00 74.21 H new ATOM 0 HB3 LYS B 131 -0.479 5.009 -12.567 1.00 74.21 H new ATOM 0 HG2 LYS B 131 1.773 4.521 -12.781 1.00 51.54 H new ATOM 0 HG3 LYS B 131 1.108 3.409 -13.961 1.00 51.54 H new ATOM 0 HD2 LYS B 131 1.579 5.178 -15.763 1.00 63.05 H new ATOM 0 HD3 LYS B 131 2.420 6.111 -14.541 1.00 63.05 H new ATOM 0 HE2 LYS B 131 3.168 3.256 -15.313 1.00 11.21 H new ATOM 0 HE3 LYS B 131 3.923 4.683 -15.996 1.00 11.21 H new ATOM 0 HZ1 LYS B 131 5.223 3.783 -14.192 1.00 12.40 H new ATOM 0 HZ2 LYS B 131 4.648 5.326 -13.780 1.00 12.40 H new ATOM 0 HZ3 LYS B 131 3.917 3.944 -13.118 1.00 12.40 H new ATOM 1287 N LEU B 132 -0.429 3.491 -16.553 1.00 62.23 N ATOM 1288 CA LEU B 132 -0.108 3.286 -17.983 1.00 55.44 C ATOM 1289 C LEU B 132 -1.368 3.441 -18.851 1.00 71.12 C ATOM 1290 O LEU B 132 -1.397 4.236 -19.801 1.00 42.01 O ATOM 1291 CB LEU B 132 0.555 1.885 -18.165 1.00 11.01 C ATOM 1292 CG LEU B 132 0.802 1.366 -19.645 1.00 2.23 C ATOM 1293 CD1 LEU B 132 2.107 0.558 -19.745 1.00 5.15 C ATOM 1294 CD2 LEU B 132 -0.385 0.506 -20.178 1.00 11.10 C ATOM 0 H LEU B 132 -0.286 2.657 -15.983 1.00 62.23 H new ATOM 0 HA LEU B 132 0.599 4.047 -18.313 1.00 55.44 H new ATOM 0 HB2 LEU B 132 1.516 1.901 -17.652 1.00 11.01 H new ATOM 0 HB3 LEU B 132 -0.068 1.151 -17.653 1.00 11.01 H new ATOM 0 HG LEU B 132 0.883 2.256 -20.269 1.00 2.23 H new ATOM 0 HD11 LEU B 132 2.246 0.217 -20.771 1.00 5.15 H new ATOM 0 HD12 LEU B 132 2.948 1.188 -19.454 1.00 5.15 H new ATOM 0 HD13 LEU B 132 2.053 -0.304 -19.081 1.00 5.15 H new ATOM 0 HD21 LEU B 132 -0.167 0.175 -21.194 1.00 11.10 H new ATOM 0 HD22 LEU B 132 -0.522 -0.363 -19.535 1.00 11.10 H new ATOM 0 HD23 LEU B 132 -1.296 1.104 -20.179 1.00 11.10 H new ATOM 1306 N GLN B 133 -2.418 2.678 -18.493 1.00 62.01 N ATOM 1307 CA GLN B 133 -3.717 2.730 -19.182 1.00 71.21 C ATOM 1308 C GLN B 133 -4.278 4.164 -19.132 1.00 22.12 C ATOM 1309 O GLN B 133 -4.889 4.637 -20.089 1.00 24.13 O ATOM 1310 CB GLN B 133 -4.727 1.756 -18.522 1.00 35.12 C ATOM 1311 CG GLN B 133 -4.316 0.280 -18.495 1.00 71.55 C ATOM 1312 CD GLN B 133 -5.405 -0.617 -17.903 1.00 64.34 C ATOM 1313 OE1 GLN B 133 -5.478 -0.689 -16.592 1.00 42.24 O flip ATOM 1314 NE2 GLN B 133 -6.231 -1.180 -18.619 1.00 34.30 N flip ATOM 0 H GLN B 133 -2.388 2.012 -17.721 1.00 62.01 H new ATOM 0 HA GLN B 133 -3.568 2.431 -20.220 1.00 71.21 H new ATOM 0 HB2 GLN B 133 -4.900 2.083 -17.497 1.00 35.12 H new ATOM 0 HB3 GLN B 133 -5.678 1.838 -19.048 1.00 35.12 H new ATOM 0 HG2 GLN B 133 -4.089 -0.050 -19.509 1.00 71.55 H new ATOM 0 HG3 GLN B 133 -3.402 0.171 -17.912 1.00 71.55 H new ATOM 0 HE21 GLN B 133 -6.157 -1.112 -19.634 1.00 34.30 H new ATOM 0 HE22 GLN B 133 -6.990 -1.715 -18.198 1.00 34.30 H new ATOM 1323 N LEU B 134 -4.038 4.819 -17.977 1.00 33.50 N ATOM 1324 CA LEU B 134 -4.505 6.179 -17.674 1.00 73.41 C ATOM 1325 C LEU B 134 -3.863 7.221 -18.590 1.00 62.25 C ATOM 1326 O LEU B 134 -4.570 8.039 -19.149 1.00 64.50 O ATOM 1327 CB LEU B 134 -4.196 6.535 -16.194 1.00 43.54 C ATOM 1328 CG LEU B 134 -5.210 6.060 -15.124 1.00 32.04 C ATOM 1329 CD1 LEU B 134 -4.651 6.311 -13.726 1.00 75.31 C ATOM 1330 CD2 LEU B 134 -6.562 6.761 -15.294 1.00 33.13 C ATOM 0 H LEU B 134 -3.502 4.404 -17.215 1.00 33.50 H new ATOM 0 HA LEU B 134 -5.582 6.196 -17.843 1.00 73.41 H new ATOM 0 HB2 LEU B 134 -3.221 6.118 -15.943 1.00 43.54 H new ATOM 0 HB3 LEU B 134 -4.109 7.619 -16.119 1.00 43.54 H new ATOM 0 HG LEU B 134 -5.370 4.990 -15.255 1.00 32.04 H new ATOM 0 HD11 LEU B 134 -5.371 5.974 -12.980 1.00 75.31 H new ATOM 0 HD12 LEU B 134 -3.717 5.762 -13.603 1.00 75.31 H new ATOM 0 HD13 LEU B 134 -4.465 7.377 -13.595 1.00 75.31 H new ATOM 0 HD21 LEU B 134 -7.254 6.408 -14.529 1.00 33.13 H new ATOM 0 HD22 LEU B 134 -6.429 7.838 -15.193 1.00 33.13 H new ATOM 0 HD23 LEU B 134 -6.967 6.536 -16.281 1.00 33.13 H new ATOM 1342 N GLU B 135 -2.513 7.197 -18.706 1.00 4.34 N ATOM 1343 CA GLU B 135 -1.768 8.214 -19.488 1.00 22.25 C ATOM 1344 C GLU B 135 -2.079 8.096 -20.990 1.00 53.23 C ATOM 1345 O GLU B 135 -1.965 9.080 -21.730 1.00 42.41 O ATOM 1346 CB GLU B 135 -0.233 8.173 -19.175 1.00 1.20 C ATOM 1347 CG GLU B 135 0.478 6.794 -19.262 1.00 74.53 C ATOM 1348 CD GLU B 135 0.889 6.309 -20.668 1.00 0.32 C ATOM 1349 OE1 GLU B 135 1.332 5.143 -20.786 1.00 13.21 O ATOM 1350 OE2 GLU B 135 0.828 7.088 -21.639 1.00 1.24 O ATOM 0 H GLU B 135 -1.921 6.489 -18.271 1.00 4.34 H new ATOM 0 HA GLU B 135 -2.112 9.200 -19.176 1.00 22.25 H new ATOM 0 HB2 GLU B 135 0.269 8.855 -19.862 1.00 1.20 H new ATOM 0 HB3 GLU B 135 -0.084 8.566 -18.169 1.00 1.20 H new ATOM 0 HG2 GLU B 135 1.373 6.834 -18.642 1.00 74.53 H new ATOM 0 HG3 GLU B 135 -0.181 6.044 -18.823 1.00 74.53 H new ATOM 1357 N LYS B 136 -2.473 6.882 -21.419 1.00 4.52 N ATOM 1358 CA LYS B 136 -2.979 6.634 -22.782 1.00 44.55 C ATOM 1359 C LYS B 136 -4.447 7.085 -22.927 1.00 52.13 C ATOM 1360 O LYS B 136 -4.844 7.588 -23.985 1.00 35.42 O ATOM 1361 CB LYS B 136 -2.824 5.134 -23.121 1.00 41.15 C ATOM 1362 CG LYS B 136 -1.363 4.658 -23.082 1.00 73.43 C ATOM 1363 CD LYS B 136 -1.203 3.155 -23.365 1.00 40.52 C ATOM 1364 CE LYS B 136 0.260 2.712 -23.303 1.00 0.31 C ATOM 1365 NZ LYS B 136 0.420 1.288 -23.670 1.00 55.24 N ATOM 0 H LYS B 136 -2.450 6.048 -20.832 1.00 4.52 H new ATOM 0 HA LYS B 136 -2.392 7.223 -23.487 1.00 44.55 H new ATOM 0 HB2 LYS B 136 -3.411 4.545 -22.416 1.00 41.15 H new ATOM 0 HB3 LYS B 136 -3.235 4.947 -24.113 1.00 41.15 H new ATOM 0 HG2 LYS B 136 -0.785 5.222 -23.815 1.00 73.43 H new ATOM 0 HG3 LYS B 136 -0.941 4.883 -22.102 1.00 73.43 H new ATOM 0 HD2 LYS B 136 -1.785 2.586 -22.640 1.00 40.52 H new ATOM 0 HD3 LYS B 136 -1.609 2.926 -24.350 1.00 40.52 H new ATOM 0 HE2 LYS B 136 0.855 3.330 -23.976 1.00 0.31 H new ATOM 0 HE3 LYS B 136 0.646 2.873 -22.297 1.00 0.31 H new ATOM 0 HZ1 LYS B 136 1.311 0.925 -23.274 1.00 55.24 H new ATOM 0 HZ2 LYS B 136 -0.377 0.740 -23.289 1.00 55.24 H new ATOM 0 HZ3 LYS B 136 0.439 1.196 -24.706 1.00 55.24 H new ATOM 1379 N ALA B 137 -5.246 6.899 -21.858 1.00 61.11 N ATOM 1380 CA ALA B 137 -6.657 7.341 -21.813 1.00 12.14 C ATOM 1381 C ALA B 137 -6.743 8.873 -21.803 1.00 51.45 C ATOM 1382 O ALA B 137 -7.643 9.462 -22.412 1.00 31.32 O ATOM 1383 CB ALA B 137 -7.379 6.750 -20.589 1.00 72.01 C ATOM 0 H ALA B 137 -4.934 6.439 -21.003 1.00 61.11 H new ATOM 0 HA ALA B 137 -7.156 6.974 -22.710 1.00 12.14 H new ATOM 0 HB1 ALA B 137 -8.415 7.090 -20.578 1.00 72.01 H new ATOM 0 HB2 ALA B 137 -7.355 5.662 -20.643 1.00 72.01 H new ATOM 0 HB3 ALA B 137 -6.880 7.080 -19.678 1.00 72.01 H new ATOM 1389 N THR B 138 -5.765 9.501 -21.130 1.00 14.00 N ATOM 1390 CA THR B 138 -5.697 10.949 -20.966 1.00 44.23 C ATOM 1391 C THR B 138 -4.935 11.580 -22.113 1.00 42.20 C ATOM 1392 O THR B 138 -3.932 11.037 -22.580 1.00 73.43 O ATOM 1393 CB THR B 138 -5.005 11.369 -19.622 1.00 32.41 C ATOM 1394 OG1 THR B 138 -3.692 10.803 -19.503 1.00 54.24 O ATOM 1395 CG2 THR B 138 -5.838 10.951 -18.425 1.00 35.30 C ATOM 0 H THR B 138 -4.994 9.005 -20.682 1.00 14.00 H new ATOM 0 HA THR B 138 -6.728 11.303 -20.951 1.00 44.23 H new ATOM 0 HB THR B 138 -4.918 12.455 -19.640 1.00 32.41 H new ATOM 0 HG1 THR B 138 -3.020 11.494 -19.682 1.00 54.24 H new ATOM 0 HG21 THR B 138 -5.334 11.255 -17.507 1.00 35.30 H new ATOM 0 HG22 THR B 138 -6.816 11.429 -18.478 1.00 35.30 H new ATOM 0 HG23 THR B 138 -5.963 9.868 -18.429 1.00 35.30 H new ATOM 1403 N GLN B 139 -5.396 12.761 -22.509 1.00 33.34 N ATOM 1404 CA GLN B 139 -4.688 13.628 -23.468 1.00 62.34 C ATOM 1405 C GLN B 139 -3.536 14.350 -22.737 1.00 74.42 C ATOM 1406 O GLN B 139 -2.599 14.845 -23.351 1.00 71.33 O ATOM 1407 CB GLN B 139 -5.690 14.629 -24.153 1.00 65.21 C ATOM 1408 CG GLN B 139 -6.650 15.384 -23.192 1.00 35.13 C ATOM 1409 CD GLN B 139 -5.990 16.491 -22.357 1.00 41.32 C ATOM 1410 OE1 GLN B 139 -5.090 17.196 -22.812 1.00 74.42 O ATOM 1411 NE2 GLN B 139 -6.391 16.609 -21.112 1.00 12.14 N ATOM 0 H GLN B 139 -6.276 13.154 -22.177 1.00 33.34 H new ATOM 0 HA GLN B 139 -4.257 13.028 -24.269 1.00 62.34 H new ATOM 0 HB2 GLN B 139 -5.113 15.365 -24.713 1.00 65.21 H new ATOM 0 HB3 GLN B 139 -6.290 14.076 -24.876 1.00 65.21 H new ATOM 0 HG2 GLN B 139 -7.456 15.824 -23.779 1.00 35.13 H new ATOM 0 HG3 GLN B 139 -7.106 14.661 -22.515 1.00 35.13 H new ATOM 0 HE21 GLN B 139 -7.139 16.013 -20.759 1.00 12.14 H new ATOM 0 HE22 GLN B 139 -5.954 17.297 -20.499 1.00 12.14 H new ATOM 1420 N ARG B 140 -3.638 14.378 -21.395 1.00 63.24 N ATOM 1421 CA ARG B 140 -2.658 15.022 -20.512 1.00 33.11 C ATOM 1422 C ARG B 140 -1.486 14.048 -20.179 1.00 31.12 C ATOM 1423 O ARG B 140 -1.712 12.848 -19.979 1.00 4.14 O ATOM 1424 CB ARG B 140 -3.366 15.506 -19.217 1.00 42.50 C ATOM 1425 CG ARG B 140 -2.524 16.488 -18.364 1.00 23.02 C ATOM 1426 CD ARG B 140 -2.204 17.804 -19.109 1.00 11.24 C ATOM 1427 NE ARG B 140 -1.201 18.614 -18.400 1.00 74.34 N ATOM 1428 CZ ARG B 140 -0.547 19.669 -18.923 1.00 1.41 C ATOM 1429 NH1 ARG B 140 -0.770 20.063 -20.175 1.00 54.13 N ATOM 1430 NH2 ARG B 140 0.333 20.327 -18.181 1.00 13.52 N ATOM 0 H ARG B 140 -4.414 13.948 -20.891 1.00 63.24 H new ATOM 0 HA ARG B 140 -2.231 15.885 -21.024 1.00 33.11 H new ATOM 0 HB2 ARG B 140 -4.304 15.990 -19.488 1.00 42.50 H new ATOM 0 HB3 ARG B 140 -3.619 14.638 -18.608 1.00 42.50 H new ATOM 0 HG2 ARG B 140 -3.063 16.718 -17.445 1.00 23.02 H new ATOM 0 HG3 ARG B 140 -1.592 16.003 -18.074 1.00 23.02 H new ATOM 0 HD2 ARG B 140 -1.841 17.573 -20.110 1.00 11.24 H new ATOM 0 HD3 ARG B 140 -3.119 18.384 -19.228 1.00 11.24 H new ATOM 0 HE ARG B 140 -0.984 18.356 -17.437 1.00 74.34 H new ATOM 0 HH11 ARG B 140 -1.445 19.564 -20.754 1.00 54.13 H new ATOM 0 HH12 ARG B 140 -0.266 20.864 -20.555 1.00 54.13 H new ATOM 0 HH21 ARG B 140 0.511 20.033 -17.221 1.00 13.52 H new ATOM 0 HH22 ARG B 140 0.832 21.127 -18.571 1.00 13.52 H new ATOM 1444 N GLN B 141 -0.256 14.611 -20.143 1.00 4.23 N ATOM 1445 CA GLN B 141 1.027 13.944 -19.781 1.00 60.31 C ATOM 1446 C GLN B 141 1.556 13.012 -20.915 1.00 40.25 C ATOM 1447 O GLN B 141 2.651 13.269 -21.433 1.00 32.41 O ATOM 1448 CB GLN B 141 0.983 13.254 -18.358 1.00 40.22 C ATOM 1449 CG GLN B 141 0.743 11.716 -18.323 1.00 60.13 C ATOM 1450 CD GLN B 141 -0.069 11.248 -17.129 1.00 73.15 C ATOM 1451 OE1 GLN B 141 -1.383 11.249 -17.280 1.00 50.33 O flip ATOM 1452 NE2 GLN B 141 0.470 10.903 -16.079 1.00 42.31 N flip ATOM 0 H GLN B 141 -0.119 15.594 -20.377 1.00 4.23 H new ATOM 0 HA GLN B 141 1.770 14.736 -19.686 1.00 60.31 H new ATOM 0 HB2 GLN B 141 1.926 13.461 -17.852 1.00 40.22 H new ATOM 0 HB3 GLN B 141 0.197 13.733 -17.774 1.00 40.22 H new ATOM 0 HG2 GLN B 141 0.231 11.417 -19.238 1.00 60.13 H new ATOM 0 HG3 GLN B 141 1.707 11.208 -18.316 1.00 60.13 H new ATOM 0 HE21 GLN B 141 1.487 10.915 -16.000 1.00 42.31 H new ATOM 0 HE22 GLN B 141 -0.100 10.604 -15.287 1.00 42.31 H new ATOM 1461 N GLU B 142 0.761 11.980 -21.318 1.00 21.33 N ATOM 1462 CA GLU B 142 1.106 10.994 -22.385 1.00 50.11 C ATOM 1463 C GLU B 142 2.555 10.435 -22.241 1.00 4.40 C ATOM 1464 O GLU B 142 3.506 10.966 -22.831 1.00 1.12 O ATOM 1465 CB GLU B 142 0.848 11.634 -23.775 1.00 25.52 C ATOM 1466 CG GLU B 142 1.017 10.690 -24.980 1.00 1.11 C ATOM 1467 CD GLU B 142 0.806 11.410 -26.317 1.00 2.31 C ATOM 1468 OE1 GLU B 142 1.788 11.928 -26.891 1.00 11.45 O ATOM 1469 OE2 GLU B 142 -0.344 11.491 -26.793 1.00 51.11 O ATOM 0 H GLU B 142 -0.154 11.807 -20.903 1.00 21.33 H new ATOM 0 HA GLU B 142 0.458 10.124 -22.277 1.00 50.11 H new ATOM 0 HB2 GLU B 142 -0.166 12.035 -23.789 1.00 25.52 H new ATOM 0 HB3 GLU B 142 1.526 12.478 -23.899 1.00 25.52 H new ATOM 0 HG2 GLU B 142 2.015 10.253 -24.959 1.00 1.11 H new ATOM 0 HG3 GLU B 142 0.307 9.867 -24.897 1.00 1.11 H new ATOM 1476 N ARG B 143 2.713 9.386 -21.414 1.00 10.22 N ATOM 1477 CA ARG B 143 4.041 8.821 -21.059 1.00 25.12 C ATOM 1478 C ARG B 143 4.565 7.869 -22.143 1.00 21.51 C ATOM 1479 O ARG B 143 5.777 7.792 -22.388 1.00 34.11 O ATOM 1480 CB ARG B 143 3.957 8.099 -19.693 1.00 43.43 C ATOM 1481 CG ARG B 143 3.667 9.046 -18.508 1.00 62.11 C ATOM 1482 CD ARG B 143 4.780 10.093 -18.314 1.00 31.32 C ATOM 1483 NE ARG B 143 6.081 9.442 -18.074 1.00 60.15 N ATOM 1484 CZ ARG B 143 7.204 9.630 -18.784 1.00 35.24 C ATOM 1485 NH1 ARG B 143 7.239 10.480 -19.806 1.00 74.32 N ATOM 1486 NH2 ARG B 143 8.282 8.926 -18.482 1.00 44.44 N ATOM 0 H ARG B 143 1.931 8.903 -20.971 1.00 10.22 H new ATOM 0 HA ARG B 143 4.749 9.646 -20.986 1.00 25.12 H new ATOM 0 HB2 ARG B 143 3.176 7.340 -19.740 1.00 43.43 H new ATOM 0 HB3 ARG B 143 4.896 7.578 -19.509 1.00 43.43 H new ATOM 0 HG2 ARG B 143 2.717 9.554 -18.675 1.00 62.11 H new ATOM 0 HG3 ARG B 143 3.558 8.460 -17.595 1.00 62.11 H new ATOM 0 HD2 ARG B 143 4.845 10.728 -19.197 1.00 31.32 H new ATOM 0 HD3 ARG B 143 4.533 10.741 -17.473 1.00 31.32 H new ATOM 0 HE ARG B 143 6.132 8.786 -17.294 1.00 60.15 H new ATOM 0 HH11 ARG B 143 6.402 11.003 -20.063 1.00 74.32 H new ATOM 0 HH12 ARG B 143 8.103 10.609 -20.333 1.00 74.32 H new ATOM 0 HH21 ARG B 143 8.253 8.251 -17.718 1.00 44.44 H new ATOM 0 HH22 ARG B 143 9.143 9.058 -19.013 1.00 44.44 H new ATOM 1500 N PHE B 144 3.643 7.122 -22.748 1.00 12.21 N ATOM 1501 CA PHE B 144 3.919 6.317 -23.949 1.00 24.24 C ATOM 1502 C PHE B 144 4.073 7.260 -25.173 1.00 10.10 C ATOM 1503 O PHE B 144 5.211 7.439 -25.664 1.00 21.44 O ATOM 1504 CB PHE B 144 2.790 5.270 -24.164 1.00 2.42 C ATOM 1505 CG PHE B 144 3.008 4.315 -25.348 1.00 64.50 C ATOM 1506 CD1 PHE B 144 3.987 3.318 -25.289 1.00 1.33 C ATOM 1507 CD2 PHE B 144 2.234 4.406 -26.511 1.00 42.42 C ATOM 1508 CE1 PHE B 144 4.183 2.448 -26.353 1.00 3.00 C ATOM 1509 CE2 PHE B 144 2.435 3.537 -27.573 1.00 43.44 C ATOM 1510 CZ PHE B 144 3.407 2.560 -27.492 1.00 31.43 C ATOM 0 H PHE B 144 2.679 7.054 -22.422 1.00 12.21 H new ATOM 0 HA PHE B 144 4.851 5.767 -23.822 1.00 24.24 H new ATOM 0 HB2 PHE B 144 2.685 4.679 -23.254 1.00 2.42 H new ATOM 0 HB3 PHE B 144 1.848 5.798 -24.311 1.00 2.42 H new ATOM 0 HD1 PHE B 144 4.599 3.224 -24.404 1.00 1.33 H new ATOM 0 HD2 PHE B 144 1.469 5.165 -26.582 1.00 42.42 H new ATOM 0 HE1 PHE B 144 4.943 1.683 -26.291 1.00 3.00 H new ATOM 0 HE2 PHE B 144 1.831 3.625 -28.464 1.00 43.44 H new ATOM 0 HZ PHE B 144 3.561 1.883 -28.319 1.00 31.43 H new TER 1520 PHE B 144