USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 573 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ 170:sc= -0.806 (180deg=-1.03) 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= 0.0984 X(o=0.098,f=-0.3) USER MOD Single : A 13 ASN : amide:sc= -0.397 X(o=-0.4,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 162:sc= -0.497 (180deg=-0.502) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -2.45! C(o=-2.4!,f=-5.6!) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 73:sc= 0.649 USER MOD Single : A 24 ASN :FLIP amide:sc= -1.48 F(o=-4.4!,f=-1.5) USER MOD Single : A 25 MET CE :methyl 170:sc= -0.279 (180deg=-0.458) USER MOD Single : A 28 THR OG1 : rot 75:sc= 0.448 USER MOD Single : A 31 LYS NZ :NH3+ -175:sc= -0.0159 (180deg=-0.0547) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.203 F(o=-1.6!,f=-0.2) USER MOD Single : B 103 LYS NZ :NH3+ 155:sc= -0.896 (180deg=-1.68!) 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= 0.0364 X(o=0.036,f=-0.043) USER MOD Single : B 113 ASN : amide:sc= 0.0517 X(o=0.052,f=-0.38) USER MOD Single : B 115 LYS NZ :NH3+ -151:sc= 0.713 (180deg=0.232) USER MOD Single : B 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 119 GLN : amide:sc= -2.92 X(o=-2.9,f=-2.6!) USER MOD Single : B 121 HIS : no HD1:sc= 0 X(o=0,f=-0.0056) USER MOD Single : B 123 THR OG1 : rot 79:sc= 0.878 USER MOD Single : B 124 ASN :FLIP amide:sc= -1.26 F(o=-3.9!,f=-1.3) USER MOD Single : B 125 MET CE :methyl 156:sc= -0.122 (180deg=-1.1) USER MOD Single : B 128 THR OG1 : rot 70:sc= 1.1 USER MOD Single : B 131 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0323) USER MOD Single : B 133 GLN :FLIP amide:sc= -0.407 F(o=-1.8,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 3 10.844 -7.154 22.510 1.00 1.15 N ATOM 36 CA LYS A 3 9.770 -6.151 22.632 1.00 14.05 C ATOM 37 C LYS A 3 9.856 -5.155 21.465 1.00 14.22 C ATOM 38 O LYS A 3 8.857 -4.855 20.810 1.00 24.24 O ATOM 39 CB LYS A 3 9.772 -5.413 24.008 1.00 72.43 C ATOM 40 CG LYS A 3 10.850 -4.309 24.221 1.00 53.11 C ATOM 41 CD LYS A 3 12.285 -4.851 24.468 1.00 74.25 C ATOM 42 CE LYS A 3 12.560 -5.187 25.953 1.00 45.31 C ATOM 43 NZ LYS A 3 11.574 -6.137 26.543 1.00 22.12 N ATOM 0 HA LYS A 3 8.820 -6.684 22.585 1.00 14.05 H new ATOM 0 HB2 LYS A 3 8.791 -4.959 24.150 1.00 72.43 H new ATOM 0 HB3 LYS A 3 9.894 -6.160 24.792 1.00 72.43 H new ATOM 0 HG2 LYS A 3 10.866 -3.660 23.345 1.00 53.11 H new ATOM 0 HG3 LYS A 3 10.557 -3.691 25.070 1.00 53.11 H new ATOM 0 HD2 LYS A 3 12.438 -5.746 23.865 1.00 74.25 H new ATOM 0 HD3 LYS A 3 13.010 -4.111 24.129 1.00 74.25 H new ATOM 0 HE2 LYS A 3 13.560 -5.613 26.041 1.00 45.31 H new ATOM 0 HE3 LYS A 3 12.554 -4.264 26.533 1.00 45.31 H new ATOM 0 HZ1 LYS A 3 11.909 -6.449 27.477 1.00 22.12 H new ATOM 0 HZ2 LYS A 3 10.654 -5.663 26.645 1.00 22.12 H new ATOM 0 HZ3 LYS A 3 11.471 -6.962 25.919 1.00 22.12 H new ATOM 57 N LYS A 4 11.085 -4.693 21.170 1.00 31.43 N ATOM 58 CA LYS A 4 11.311 -3.711 20.112 1.00 54.54 C ATOM 59 C LYS A 4 11.271 -4.416 18.743 1.00 11.32 C ATOM 60 O LYS A 4 11.021 -3.771 17.744 1.00 60.22 O ATOM 61 CB LYS A 4 12.648 -2.945 20.336 1.00 11.51 C ATOM 62 CG LYS A 4 13.945 -3.744 20.001 1.00 24.32 C ATOM 63 CD LYS A 4 14.650 -3.242 18.704 1.00 74.24 C ATOM 64 CE LYS A 4 15.703 -4.224 18.178 1.00 44.43 C ATOM 65 NZ LYS A 4 16.492 -3.664 17.044 1.00 51.45 N ATOM 0 H LYS A 4 11.933 -4.989 21.654 1.00 31.43 H new ATOM 0 HA LYS A 4 10.517 -2.964 20.136 1.00 54.54 H new ATOM 0 HB2 LYS A 4 12.633 -2.039 19.730 1.00 11.51 H new ATOM 0 HB3 LYS A 4 12.696 -2.630 21.378 1.00 11.51 H new ATOM 0 HG2 LYS A 4 14.639 -3.668 20.838 1.00 24.32 H new ATOM 0 HG3 LYS A 4 13.696 -4.799 19.888 1.00 24.32 H new ATOM 0 HD2 LYS A 4 13.900 -3.073 17.931 1.00 74.24 H new ATOM 0 HD3 LYS A 4 15.124 -2.281 18.903 1.00 74.24 H new ATOM 0 HE2 LYS A 4 16.380 -4.494 18.989 1.00 44.43 H new ATOM 0 HE3 LYS A 4 15.210 -5.141 17.855 1.00 44.43 H new ATOM 0 HZ1 LYS A 4 17.189 -4.367 16.726 1.00 51.45 H new ATOM 0 HZ2 LYS A 4 15.852 -3.430 16.258 1.00 51.45 H new ATOM 0 HZ3 LYS A 4 16.986 -2.803 17.356 1.00 51.45 H new ATOM 79 N LEU A 5 11.519 -5.758 18.729 1.00 5.45 N ATOM 80 CA LEU A 5 11.361 -6.614 17.526 1.00 13.34 C ATOM 81 C LEU A 5 9.946 -6.454 16.951 1.00 2.33 C ATOM 82 O LEU A 5 9.756 -6.399 15.726 1.00 65.15 O ATOM 83 CB LEU A 5 11.584 -8.103 17.887 1.00 73.51 C ATOM 84 CG LEU A 5 11.469 -9.124 16.708 1.00 42.55 C ATOM 85 CD1 LEU A 5 12.707 -9.056 15.796 1.00 42.32 C ATOM 86 CD2 LEU A 5 11.200 -10.559 17.214 1.00 12.44 C ATOM 0 H LEU A 5 11.833 -6.271 19.553 1.00 5.45 H new ATOM 0 HA LEU A 5 12.101 -6.304 16.788 1.00 13.34 H new ATOM 0 HB2 LEU A 5 12.574 -8.203 18.332 1.00 73.51 H new ATOM 0 HB3 LEU A 5 10.861 -8.382 18.653 1.00 73.51 H new ATOM 0 HG LEU A 5 10.605 -8.840 16.108 1.00 42.55 H new ATOM 0 HD11 LEU A 5 12.601 -9.776 14.985 1.00 42.32 H new ATOM 0 HD12 LEU A 5 12.798 -8.052 15.381 1.00 42.32 H new ATOM 0 HD13 LEU A 5 13.599 -9.291 16.376 1.00 42.32 H new ATOM 0 HD21 LEU A 5 11.127 -11.237 16.364 1.00 12.44 H new ATOM 0 HD22 LEU A 5 12.018 -10.876 17.861 1.00 12.44 H new ATOM 0 HD23 LEU A 5 10.265 -10.578 17.774 1.00 12.44 H new ATOM 98 N TYR A 6 8.967 -6.418 17.883 1.00 61.33 N ATOM 99 CA TYR A 6 7.573 -6.101 17.584 1.00 22.04 C ATOM 100 C TYR A 6 7.500 -4.749 16.879 1.00 50.21 C ATOM 101 O TYR A 6 7.042 -4.679 15.749 1.00 53.20 O ATOM 102 CB TYR A 6 6.756 -6.118 18.902 1.00 13.13 C ATOM 103 CG TYR A 6 5.231 -6.196 18.745 1.00 74.11 C ATOM 104 CD1 TYR A 6 4.454 -5.051 18.561 1.00 4.44 C ATOM 105 CD2 TYR A 6 4.574 -7.427 18.795 1.00 25.12 C ATOM 106 CE1 TYR A 6 3.081 -5.135 18.439 1.00 43.21 C ATOM 107 CE2 TYR A 6 3.205 -7.517 18.668 1.00 1.43 C ATOM 108 CZ TYR A 6 2.463 -6.371 18.489 1.00 35.33 C ATOM 109 OH TYR A 6 1.092 -6.455 18.373 1.00 24.42 O ATOM 0 H TYR A 6 9.136 -6.612 18.870 1.00 61.33 H new ATOM 0 HA TYR A 6 7.143 -6.845 16.913 1.00 22.04 H new ATOM 0 HB2 TYR A 6 7.084 -6.969 19.499 1.00 13.13 H new ATOM 0 HB3 TYR A 6 6.998 -5.219 19.468 1.00 13.13 H new ATOM 0 HD1 TYR A 6 4.934 -4.085 18.513 1.00 4.44 H new ATOM 0 HD2 TYR A 6 5.152 -8.329 18.936 1.00 25.12 H new ATOM 0 HE1 TYR A 6 2.493 -4.239 18.305 1.00 43.21 H new ATOM 0 HE2 TYR A 6 2.717 -8.480 18.709 1.00 1.43 H new ATOM 0 HH TYR A 6 0.816 -7.394 18.427 1.00 24.42 H new ATOM 119 N GLU A 7 8.055 -3.712 17.530 1.00 54.31 N ATOM 120 CA GLU A 7 8.082 -2.335 16.991 1.00 61.52 C ATOM 121 C GLU A 7 8.758 -2.237 15.607 1.00 21.42 C ATOM 122 O GLU A 7 8.388 -1.376 14.820 1.00 51.12 O ATOM 123 CB GLU A 7 8.791 -1.373 17.987 1.00 4.35 C ATOM 124 CG GLU A 7 7.920 -0.880 19.164 1.00 31.13 C ATOM 125 CD GLU A 7 7.598 -1.947 20.226 1.00 30.55 C ATOM 126 OE1 GLU A 7 8.320 -2.015 21.243 1.00 24.41 O ATOM 127 OE2 GLU A 7 6.611 -2.704 20.062 1.00 73.51 O ATOM 0 H GLU A 7 8.498 -3.801 18.444 1.00 54.31 H new ATOM 0 HA GLU A 7 7.041 -2.039 16.863 1.00 61.52 H new ATOM 0 HB2 GLU A 7 9.668 -1.878 18.392 1.00 4.35 H new ATOM 0 HB3 GLU A 7 9.150 -0.505 17.434 1.00 4.35 H new ATOM 0 HG2 GLU A 7 8.429 -0.048 19.650 1.00 31.13 H new ATOM 0 HG3 GLU A 7 6.983 -0.491 18.765 1.00 31.13 H new ATOM 134 N GLN A 8 9.757 -3.105 15.340 1.00 30.11 N ATOM 135 CA GLN A 8 10.509 -3.086 14.066 1.00 41.01 C ATOM 136 C GLN A 8 9.592 -3.417 12.883 1.00 24.31 C ATOM 137 O GLN A 8 9.299 -2.535 12.061 1.00 13.41 O ATOM 138 CB GLN A 8 11.742 -4.045 14.095 1.00 24.25 C ATOM 139 CG GLN A 8 12.773 -3.774 15.218 1.00 35.04 C ATOM 140 CD GLN A 8 13.071 -2.284 15.440 1.00 31.31 C ATOM 141 OE1 GLN A 8 14.001 -1.723 14.863 1.00 3.52 O ATOM 142 NE2 GLN A 8 12.260 -1.637 16.273 1.00 71.15 N ATOM 0 H GLN A 8 10.062 -3.829 15.991 1.00 30.11 H new ATOM 0 HA GLN A 8 10.890 -2.073 13.936 1.00 41.01 H new ATOM 0 HB2 GLN A 8 11.381 -5.069 14.196 1.00 24.25 H new ATOM 0 HB3 GLN A 8 12.253 -3.981 13.134 1.00 24.25 H new ATOM 0 HG2 GLN A 8 12.403 -4.204 16.149 1.00 35.04 H new ATOM 0 HG3 GLN A 8 13.703 -4.289 14.977 1.00 35.04 H new ATOM 0 HE21 GLN A 8 11.499 -2.136 16.734 1.00 71.15 H new ATOM 0 HE22 GLN A 8 12.399 -0.642 16.451 1.00 71.15 H new ATOM 151 N ILE A 9 9.131 -4.686 12.798 1.00 41.00 N ATOM 152 CA ILE A 9 8.233 -5.119 11.708 1.00 4.42 C ATOM 153 C ILE A 9 6.927 -4.290 11.703 1.00 4.12 C ATOM 154 O ILE A 9 6.444 -3.917 10.639 1.00 3.52 O ATOM 155 CB ILE A 9 7.845 -6.636 11.795 1.00 34.14 C ATOM 156 CG1 ILE A 9 9.067 -7.536 12.118 1.00 64.21 C ATOM 157 CG2 ILE A 9 7.169 -7.095 10.474 1.00 40.23 C ATOM 158 CD1 ILE A 9 8.688 -8.986 12.343 1.00 64.21 C ATOM 0 H ILE A 9 9.365 -5.421 13.466 1.00 41.00 H new ATOM 0 HA ILE A 9 8.796 -4.958 10.789 1.00 4.42 H new ATOM 0 HB ILE A 9 7.138 -6.744 12.618 1.00 34.14 H new ATOM 0 HG12 ILE A 9 9.783 -7.476 11.298 1.00 64.21 H new ATOM 0 HG13 ILE A 9 9.568 -7.154 13.008 1.00 64.21 H new ATOM 0 HG21 ILE A 9 6.905 -8.150 10.548 1.00 40.23 H new ATOM 0 HG22 ILE A 9 6.268 -6.506 10.303 1.00 40.23 H new ATOM 0 HG23 ILE A 9 7.859 -6.951 9.643 1.00 40.23 H new ATOM 0 HD11 ILE A 9 9.584 -9.566 12.565 1.00 64.21 H new ATOM 0 HD12 ILE A 9 7.994 -9.055 13.181 1.00 64.21 H new ATOM 0 HD13 ILE A 9 8.213 -9.381 11.445 1.00 64.21 H new ATOM 170 N LEU A 10 6.382 -4.016 12.911 1.00 35.33 N ATOM 171 CA LEU A 10 5.098 -3.287 13.091 1.00 24.43 C ATOM 172 C LEU A 10 5.217 -1.822 12.596 1.00 44.22 C ATOM 173 O LEU A 10 4.228 -1.240 12.146 1.00 23.55 O ATOM 174 CB LEU A 10 4.621 -3.368 14.587 1.00 73.35 C ATOM 175 CG LEU A 10 3.076 -3.283 14.896 1.00 42.24 C ATOM 176 CD1 LEU A 10 2.490 -1.868 14.716 1.00 22.40 C ATOM 177 CD2 LEU A 10 2.289 -4.329 14.070 1.00 1.51 C ATOM 0 H LEU A 10 6.818 -4.293 13.791 1.00 35.33 H new ATOM 0 HA LEU A 10 4.336 -3.769 12.479 1.00 24.43 H new ATOM 0 HB2 LEU A 10 4.990 -4.307 15.001 1.00 73.35 H new ATOM 0 HB3 LEU A 10 5.112 -2.564 15.134 1.00 73.35 H new ATOM 0 HG LEU A 10 2.963 -3.518 15.954 1.00 42.24 H new ATOM 0 HD11 LEU A 10 1.424 -1.884 14.945 1.00 22.40 H new ATOM 0 HD12 LEU A 10 2.996 -1.176 15.390 1.00 22.40 H new ATOM 0 HD13 LEU A 10 2.635 -1.543 13.686 1.00 22.40 H new ATOM 0 HD21 LEU A 10 1.227 -4.250 14.301 1.00 1.51 H new ATOM 0 HD22 LEU A 10 2.444 -4.145 13.007 1.00 1.51 H new ATOM 0 HD23 LEU A 10 2.641 -5.330 14.320 1.00 1.51 H new ATOM 189 N ALA A 11 6.442 -1.246 12.650 1.00 51.23 N ATOM 190 CA ALA A 11 6.719 0.102 12.100 1.00 74.22 C ATOM 191 C ALA A 11 6.503 0.109 10.577 1.00 4.42 C ATOM 192 O ALA A 11 5.787 0.970 10.042 1.00 25.25 O ATOM 193 CB ALA A 11 8.150 0.554 12.440 1.00 52.14 C ATOM 0 H ALA A 11 7.255 -1.696 13.070 1.00 51.23 H new ATOM 0 HA ALA A 11 6.025 0.806 12.558 1.00 74.22 H new ATOM 0 HB1 ALA A 11 8.327 1.546 12.024 1.00 52.14 H new ATOM 0 HB2 ALA A 11 8.274 0.587 13.522 1.00 52.14 H new ATOM 0 HB3 ALA A 11 8.865 -0.150 12.014 1.00 52.14 H new ATOM 199 N GLU A 12 7.117 -0.875 9.887 1.00 72.01 N ATOM 200 CA GLU A 12 6.962 -1.022 8.433 1.00 31.42 C ATOM 201 C GLU A 12 5.537 -1.492 8.080 1.00 4.13 C ATOM 202 O GLU A 12 5.003 -1.105 7.056 1.00 64.11 O ATOM 203 CB GLU A 12 8.031 -1.975 7.832 1.00 60.40 C ATOM 204 CG GLU A 12 7.883 -2.165 6.305 1.00 34.23 C ATOM 205 CD GLU A 12 9.057 -2.876 5.628 1.00 41.32 C ATOM 206 OE1 GLU A 12 9.132 -4.117 5.704 1.00 24.44 O ATOM 207 OE2 GLU A 12 9.895 -2.193 4.993 1.00 2.03 O ATOM 0 H GLU A 12 7.722 -1.575 10.316 1.00 72.01 H new ATOM 0 HA GLU A 12 7.119 -0.041 7.985 1.00 31.42 H new ATOM 0 HB2 GLU A 12 9.024 -1.581 8.049 1.00 60.40 H new ATOM 0 HB3 GLU A 12 7.960 -2.946 8.322 1.00 60.40 H new ATOM 0 HG2 GLU A 12 6.973 -2.732 6.111 1.00 34.23 H new ATOM 0 HG3 GLU A 12 7.754 -1.186 5.842 1.00 34.23 H new ATOM 214 N ASN A 13 4.922 -2.279 8.979 1.00 14.01 N ATOM 215 CA ASN A 13 3.552 -2.817 8.812 1.00 31.42 C ATOM 216 C ASN A 13 2.531 -1.657 8.805 1.00 33.30 C ATOM 217 O ASN A 13 1.606 -1.638 7.989 1.00 44.42 O ATOM 218 CB ASN A 13 3.250 -3.814 9.964 1.00 61.01 C ATOM 219 CG ASN A 13 1.920 -4.552 9.823 1.00 20.32 C ATOM 220 OD1 ASN A 13 0.871 -4.050 10.218 1.00 21.42 O ATOM 221 ND2 ASN A 13 1.954 -5.759 9.279 1.00 21.35 N ATOM 0 H ASN A 13 5.363 -2.565 9.853 1.00 14.01 H new ATOM 0 HA ASN A 13 3.474 -3.345 7.861 1.00 31.42 H new ATOM 0 HB2 ASN A 13 4.055 -4.547 10.015 1.00 61.01 H new ATOM 0 HB3 ASN A 13 3.253 -3.271 10.909 1.00 61.01 H new ATOM 0 HD21 ASN A 13 1.094 -6.298 9.179 1.00 21.35 H new ATOM 0 HD22 ASN A 13 2.841 -6.150 8.960 1.00 21.35 H new ATOM 228 N GLU A 14 2.763 -0.690 9.718 1.00 21.45 N ATOM 229 CA GLU A 14 2.009 0.576 9.817 1.00 53.42 C ATOM 230 C GLU A 14 2.098 1.346 8.490 1.00 74.24 C ATOM 231 O GLU A 14 1.070 1.752 7.918 1.00 51.40 O ATOM 232 CB GLU A 14 2.558 1.430 11.020 1.00 31.20 C ATOM 233 CG GLU A 14 2.564 2.962 10.805 1.00 11.53 C ATOM 234 CD GLU A 14 2.937 3.764 12.057 1.00 54.04 C ATOM 235 OE1 GLU A 14 2.039 4.373 12.681 1.00 20.33 O ATOM 236 OE2 GLU A 14 4.131 3.777 12.434 1.00 14.13 O ATOM 0 H GLU A 14 3.496 -0.771 10.422 1.00 21.45 H new ATOM 0 HA GLU A 14 0.957 0.362 10.008 1.00 53.42 H new ATOM 0 HB2 GLU A 14 1.959 1.208 11.903 1.00 31.20 H new ATOM 0 HB3 GLU A 14 3.577 1.108 11.236 1.00 31.20 H new ATOM 0 HG2 GLU A 14 3.267 3.204 10.008 1.00 11.53 H new ATOM 0 HG3 GLU A 14 1.577 3.275 10.466 1.00 11.53 H new ATOM 243 N LYS A 15 3.347 1.509 8.015 1.00 2.22 N ATOM 244 CA LYS A 15 3.644 2.186 6.755 1.00 54.33 C ATOM 245 C LYS A 15 2.907 1.498 5.596 1.00 73.35 C ATOM 246 O LYS A 15 2.280 2.164 4.789 1.00 74.11 O ATOM 247 CB LYS A 15 5.168 2.164 6.471 1.00 61.21 C ATOM 248 CG LYS A 15 5.587 2.786 5.103 1.00 32.55 C ATOM 249 CD LYS A 15 6.907 2.198 4.549 1.00 43.33 C ATOM 250 CE LYS A 15 6.772 0.704 4.179 1.00 62.25 C ATOM 251 NZ LYS A 15 8.066 0.105 3.748 1.00 2.20 N ATOM 0 H LYS A 15 4.177 1.171 8.502 1.00 2.22 H new ATOM 0 HA LYS A 15 3.309 3.220 6.839 1.00 54.33 H new ATOM 0 HB2 LYS A 15 5.680 2.700 7.270 1.00 61.21 H new ATOM 0 HB3 LYS A 15 5.515 1.131 6.506 1.00 61.21 H new ATOM 0 HG2 LYS A 15 4.790 2.623 4.377 1.00 32.55 H new ATOM 0 HG3 LYS A 15 5.697 3.864 5.219 1.00 32.55 H new ATOM 0 HD2 LYS A 15 7.212 2.762 3.668 1.00 43.33 H new ATOM 0 HD3 LYS A 15 7.695 2.316 5.292 1.00 43.33 H new ATOM 0 HE2 LYS A 15 6.388 0.153 5.038 1.00 62.25 H new ATOM 0 HE3 LYS A 15 6.040 0.596 3.378 1.00 62.25 H new ATOM 0 HZ1 LYS A 15 8.005 -0.932 3.804 1.00 2.20 H new ATOM 0 HZ2 LYS A 15 8.270 0.387 2.768 1.00 2.20 H new ATOM 0 HZ3 LYS A 15 8.828 0.441 4.370 1.00 2.20 H new ATOM 265 N LEU A 16 2.969 0.149 5.573 1.00 13.45 N ATOM 266 CA LEU A 16 2.432 -0.680 4.481 1.00 41.24 C ATOM 267 C LEU A 16 0.904 -0.554 4.386 1.00 51.11 C ATOM 268 O LEU A 16 0.350 -0.603 3.286 1.00 32.20 O ATOM 269 CB LEU A 16 2.873 -2.163 4.632 1.00 40.14 C ATOM 270 CG LEU A 16 4.378 -2.464 4.340 1.00 14.25 C ATOM 271 CD1 LEU A 16 4.750 -3.915 4.691 1.00 24.11 C ATOM 272 CD2 LEU A 16 4.740 -2.149 2.877 1.00 14.05 C ATOM 0 H LEU A 16 3.398 -0.397 6.321 1.00 13.45 H new ATOM 0 HA LEU A 16 2.849 -0.308 3.545 1.00 41.24 H new ATOM 0 HB2 LEU A 16 2.649 -2.486 5.649 1.00 40.14 H new ATOM 0 HB3 LEU A 16 2.265 -2.772 3.963 1.00 40.14 H new ATOM 0 HG LEU A 16 4.963 -1.807 4.984 1.00 14.25 H new ATOM 0 HD11 LEU A 16 5.805 -4.083 4.473 1.00 24.11 H new ATOM 0 HD12 LEU A 16 4.566 -4.092 5.751 1.00 24.11 H new ATOM 0 HD13 LEU A 16 4.144 -4.600 4.098 1.00 24.11 H new ATOM 0 HD21 LEU A 16 5.794 -2.369 2.707 1.00 14.05 H new ATOM 0 HD22 LEU A 16 4.130 -2.760 2.212 1.00 14.05 H new ATOM 0 HD23 LEU A 16 4.553 -1.094 2.675 1.00 14.05 H new ATOM 284 N LYS A 17 0.242 -0.362 5.543 1.00 30.14 N ATOM 285 CA LYS A 17 -1.206 -0.100 5.596 1.00 20.40 C ATOM 286 C LYS A 17 -1.526 1.285 5.011 1.00 52.34 C ATOM 287 O LYS A 17 -2.534 1.459 4.313 1.00 24.35 O ATOM 288 CB LYS A 17 -1.746 -0.204 7.041 1.00 12.34 C ATOM 289 CG LYS A 17 -1.655 -1.613 7.671 1.00 25.10 C ATOM 290 CD LYS A 17 -2.225 -1.647 9.109 1.00 0.53 C ATOM 291 CE LYS A 17 -1.513 -0.662 10.055 1.00 14.33 C ATOM 292 NZ LYS A 17 -2.120 -0.646 11.409 1.00 64.31 N ATOM 0 H LYS A 17 0.692 -0.384 6.458 1.00 30.14 H new ATOM 0 HA LYS A 17 -1.701 -0.862 4.994 1.00 20.40 H new ATOM 0 HB2 LYS A 17 -1.195 0.495 7.670 1.00 12.34 H new ATOM 0 HB3 LYS A 17 -2.789 0.114 7.047 1.00 12.34 H new ATOM 0 HG2 LYS A 17 -2.200 -2.323 7.049 1.00 25.10 H new ATOM 0 HG3 LYS A 17 -0.614 -1.936 7.687 1.00 25.10 H new ATOM 0 HD2 LYS A 17 -3.289 -1.411 9.079 1.00 0.53 H new ATOM 0 HD3 LYS A 17 -2.134 -2.657 9.508 1.00 0.53 H new ATOM 0 HE2 LYS A 17 -0.460 -0.934 10.134 1.00 14.33 H new ATOM 0 HE3 LYS A 17 -1.552 0.341 9.629 1.00 14.33 H new ATOM 0 HZ1 LYS A 17 -1.609 0.031 12.011 1.00 64.31 H new ATOM 0 HZ2 LYS A 17 -3.118 -0.362 11.339 1.00 64.31 H new ATOM 0 HZ3 LYS A 17 -2.060 -1.596 11.828 1.00 64.31 H new ATOM 306 N ALA A 18 -0.646 2.261 5.299 1.00 22.24 N ATOM 307 CA ALA A 18 -0.833 3.655 4.878 1.00 23.32 C ATOM 308 C ALA A 18 -0.696 3.791 3.345 1.00 35.23 C ATOM 309 O ALA A 18 -1.605 4.283 2.677 1.00 73.44 O ATOM 310 CB ALA A 18 0.172 4.556 5.616 1.00 34.42 C ATOM 0 H ALA A 18 0.211 2.103 5.829 1.00 22.24 H new ATOM 0 HA ALA A 18 -1.842 3.975 5.140 1.00 23.32 H new ATOM 0 HB1 ALA A 18 0.032 5.590 5.302 1.00 34.42 H new ATOM 0 HB2 ALA A 18 0.010 4.478 6.691 1.00 34.42 H new ATOM 0 HB3 ALA A 18 1.187 4.239 5.378 1.00 34.42 H new ATOM 316 N GLN A 19 0.435 3.294 2.806 1.00 0.24 N ATOM 317 CA GLN A 19 0.776 3.382 1.370 1.00 25.12 C ATOM 318 C GLN A 19 -0.134 2.517 0.489 1.00 65.42 C ATOM 319 O GLN A 19 -0.380 2.874 -0.668 1.00 30.52 O ATOM 320 CB GLN A 19 2.265 3.002 1.160 1.00 41.03 C ATOM 321 CG GLN A 19 2.694 1.661 1.809 1.00 25.21 C ATOM 322 CD GLN A 19 2.871 0.480 0.856 1.00 4.34 C ATOM 323 OE1 GLN A 19 3.922 0.334 0.236 1.00 54.35 O ATOM 324 NE2 GLN A 19 1.889 -0.419 0.821 1.00 53.13 N ATOM 0 H GLN A 19 1.145 2.815 3.360 1.00 0.24 H new ATOM 0 HA GLN A 19 0.614 4.414 1.059 1.00 25.12 H new ATOM 0 HB2 GLN A 19 2.464 2.951 0.090 1.00 41.03 H new ATOM 0 HB3 GLN A 19 2.889 3.800 1.563 1.00 41.03 H new ATOM 0 HG2 GLN A 19 3.635 1.820 2.336 1.00 25.21 H new ATOM 0 HG3 GLN A 19 1.951 1.389 2.558 1.00 25.21 H new ATOM 0 HE21 GLN A 19 1.032 -0.259 1.351 1.00 53.13 H new ATOM 0 HE22 GLN A 19 1.994 -1.267 0.265 1.00 53.13 H new ATOM 333 N LEU A 20 -0.608 1.364 1.022 1.00 3.32 N ATOM 334 CA LEU A 20 -1.580 0.530 0.290 1.00 1.33 C ATOM 335 C LEU A 20 -2.888 1.300 0.170 1.00 52.14 C ATOM 336 O LEU A 20 -3.486 1.331 -0.897 1.00 33.05 O ATOM 337 CB LEU A 20 -1.794 -0.886 0.940 1.00 55.23 C ATOM 338 CG LEU A 20 -2.866 -1.091 2.097 1.00 14.31 C ATOM 339 CD1 LEU A 20 -4.300 -1.332 1.561 1.00 72.42 C ATOM 340 CD2 LEU A 20 -2.479 -2.249 3.036 1.00 51.13 C ATOM 0 H LEU A 20 -0.338 1.000 1.936 1.00 3.32 H new ATOM 0 HA LEU A 20 -1.178 0.326 -0.703 1.00 1.33 H new ATOM 0 HB2 LEU A 20 -2.055 -1.573 0.135 1.00 55.23 H new ATOM 0 HB3 LEU A 20 -0.830 -1.208 1.334 1.00 55.23 H new ATOM 0 HG LEU A 20 -2.866 -0.155 2.655 1.00 14.31 H new ATOM 0 HD11 LEU A 20 -4.984 -1.464 2.399 1.00 72.42 H new ATOM 0 HD12 LEU A 20 -4.615 -0.474 0.967 1.00 72.42 H new ATOM 0 HD13 LEU A 20 -4.310 -2.227 0.939 1.00 72.42 H new ATOM 0 HD21 LEU A 20 -3.236 -2.357 3.812 1.00 51.13 H new ATOM 0 HD22 LEU A 20 -2.412 -3.174 2.464 1.00 51.13 H new ATOM 0 HD23 LEU A 20 -1.514 -2.037 3.497 1.00 51.13 H new ATOM 352 N HIS A 21 -3.294 1.955 1.285 1.00 33.21 N ATOM 353 CA HIS A 21 -4.541 2.723 1.352 1.00 45.13 C ATOM 354 C HIS A 21 -4.502 3.881 0.349 1.00 12.32 C ATOM 355 O HIS A 21 -5.510 4.177 -0.283 1.00 11.13 O ATOM 356 CB HIS A 21 -4.793 3.240 2.785 1.00 52.13 C ATOM 357 CG HIS A 21 -6.132 3.908 2.964 1.00 10.45 C ATOM 358 ND1 HIS A 21 -6.320 5.270 2.868 1.00 44.20 N ATOM 359 CD2 HIS A 21 -7.354 3.383 3.224 1.00 21.41 C ATOM 360 CE1 HIS A 21 -7.591 5.549 3.062 1.00 12.24 C ATOM 361 NE2 HIS A 21 -8.235 4.420 3.273 1.00 63.31 N ATOM 0 H HIS A 21 -2.762 1.960 2.155 1.00 33.21 H new ATOM 0 HA HIS A 21 -5.369 2.065 1.087 1.00 45.13 H new ATOM 0 HB2 HIS A 21 -4.718 2.404 3.481 1.00 52.13 H new ATOM 0 HB3 HIS A 21 -4.007 3.947 3.050 1.00 52.13 H new ATOM 0 HD2 HIS A 21 -7.586 2.338 3.366 1.00 21.41 H new ATOM 0 HE1 HIS A 21 -8.031 6.535 3.050 1.00 12.24 H new ATOM 0 HE2 HIS A 21 -9.237 4.336 3.446 1.00 63.31 H new ATOM 370 N ASP A 22 -3.310 4.504 0.201 1.00 73.43 N ATOM 371 CA ASP A 22 -3.068 5.527 -0.829 1.00 32.53 C ATOM 372 C ASP A 22 -3.301 4.945 -2.225 1.00 3.44 C ATOM 373 O ASP A 22 -4.080 5.498 -2.997 1.00 12.40 O ATOM 374 CB ASP A 22 -1.628 6.111 -0.738 1.00 23.12 C ATOM 375 CG ASP A 22 -1.398 6.993 0.504 1.00 51.03 C ATOM 376 OD1 ASP A 22 -0.533 6.665 1.348 1.00 13.14 O ATOM 377 OD2 ASP A 22 -2.081 8.038 0.634 1.00 60.21 O ATOM 0 H ASP A 22 -2.499 4.310 0.789 1.00 73.43 H new ATOM 0 HA ASP A 22 -3.773 6.339 -0.651 1.00 32.53 H new ATOM 0 HB2 ASP A 22 -0.912 5.290 -0.728 1.00 23.12 H new ATOM 0 HB3 ASP A 22 -1.426 6.699 -1.633 1.00 23.12 H new ATOM 382 N THR A 23 -2.641 3.797 -2.513 1.00 54.12 N ATOM 383 CA THR A 23 -2.701 3.157 -3.835 1.00 32.45 C ATOM 384 C THR A 23 -4.111 2.610 -4.161 1.00 25.20 C ATOM 385 O THR A 23 -4.488 2.539 -5.324 1.00 55.30 O ATOM 386 CB THR A 23 -1.618 2.041 -3.987 1.00 23.52 C ATOM 387 OG1 THR A 23 -0.346 2.571 -3.591 1.00 10.44 O ATOM 388 CG2 THR A 23 -1.509 1.532 -5.443 1.00 21.24 C ATOM 0 H THR A 23 -2.060 3.299 -1.839 1.00 54.12 H new ATOM 0 HA THR A 23 -2.482 3.937 -4.564 1.00 32.45 H new ATOM 0 HB THR A 23 -1.912 1.202 -3.356 1.00 23.52 H new ATOM 0 HG1 THR A 23 -0.322 2.670 -2.616 1.00 10.44 H new ATOM 0 HG21 THR A 23 -0.744 0.757 -5.501 1.00 21.24 H new ATOM 0 HG22 THR A 23 -2.468 1.120 -5.757 1.00 21.24 H new ATOM 0 HG23 THR A 23 -1.238 2.360 -6.098 1.00 21.24 H new ATOM 396 N ASN A 24 -4.890 2.256 -3.122 1.00 75.50 N ATOM 397 CA ASN A 24 -6.278 1.767 -3.280 1.00 65.14 C ATOM 398 C ASN A 24 -7.208 2.942 -3.605 1.00 3.43 C ATOM 399 O ASN A 24 -8.083 2.829 -4.467 1.00 13.21 O ATOM 400 CB ASN A 24 -6.776 1.036 -1.999 1.00 42.53 C ATOM 401 CG ASN A 24 -6.179 -0.356 -1.764 1.00 54.30 C ATOM 402 OD1 ASN A 24 -4.925 -0.564 -2.126 1.00 11.31 O flip ATOM 403 ND2 ASN A 24 -6.847 -1.238 -1.218 1.00 53.14 N flip ATOM 0 H ASN A 24 -4.579 2.300 -2.152 1.00 75.50 H new ATOM 0 HA ASN A 24 -6.291 1.050 -4.101 1.00 65.14 H new ATOM 0 HB2 ASN A 24 -6.551 1.660 -1.134 1.00 42.53 H new ATOM 0 HB3 ASN A 24 -7.861 0.944 -2.052 1.00 42.53 H new ATOM 0 HD21 ASN A 24 -7.813 -1.053 -0.948 1.00 53.14 H new ATOM 0 HD22 ASN A 24 -6.433 -2.152 -1.037 1.00 53.14 H new ATOM 410 N MET A 25 -7.011 4.064 -2.890 1.00 4.50 N ATOM 411 CA MET A 25 -7.806 5.282 -3.080 1.00 53.44 C ATOM 412 C MET A 25 -7.543 5.921 -4.442 1.00 34.34 C ATOM 413 O MET A 25 -8.480 6.408 -5.073 1.00 73.32 O ATOM 414 CB MET A 25 -7.529 6.296 -1.937 1.00 75.23 C ATOM 415 CG MET A 25 -8.092 5.886 -0.553 1.00 33.23 C ATOM 416 SD MET A 25 -9.709 6.625 -0.157 1.00 3.54 S ATOM 417 CE MET A 25 -10.787 6.046 -1.473 1.00 23.02 C ATOM 0 H MET A 25 -6.297 4.148 -2.167 1.00 4.50 H new ATOM 0 HA MET A 25 -8.858 4.998 -3.049 1.00 53.44 H new ATOM 0 HB2 MET A 25 -6.452 6.436 -1.848 1.00 75.23 H new ATOM 0 HB3 MET A 25 -7.954 7.260 -2.215 1.00 75.23 H new ATOM 0 HG2 MET A 25 -8.183 4.800 -0.517 1.00 33.23 H new ATOM 0 HG3 MET A 25 -7.376 6.172 0.217 1.00 33.23 H new ATOM 0 HE1 MET A 25 -11.821 6.290 -1.230 1.00 23.02 H new ATOM 0 HE2 MET A 25 -10.510 6.530 -2.410 1.00 23.02 H new ATOM 0 HE3 MET A 25 -10.684 4.966 -1.579 1.00 23.02 H new ATOM 427 N GLU A 26 -6.272 5.904 -4.889 1.00 4.51 N ATOM 428 CA GLU A 26 -5.883 6.459 -6.195 1.00 1.12 C ATOM 429 C GLU A 26 -6.204 5.459 -7.319 1.00 51.01 C ATOM 430 O GLU A 26 -6.264 5.848 -8.474 1.00 74.45 O ATOM 431 CB GLU A 26 -4.388 6.859 -6.214 1.00 44.31 C ATOM 432 CG GLU A 26 -3.414 5.683 -6.167 1.00 21.51 C ATOM 433 CD GLU A 26 -1.942 6.103 -6.096 1.00 41.32 C ATOM 434 OE1 GLU A 26 -1.344 6.087 -4.994 1.00 43.40 O ATOM 435 OE2 GLU A 26 -1.377 6.454 -7.140 1.00 5.31 O ATOM 0 H GLU A 26 -5.495 5.509 -4.359 1.00 4.51 H new ATOM 0 HA GLU A 26 -6.464 7.365 -6.366 1.00 1.12 H new ATOM 0 HB2 GLU A 26 -4.192 7.440 -7.115 1.00 44.31 H new ATOM 0 HB3 GLU A 26 -4.189 7.512 -5.364 1.00 44.31 H new ATOM 0 HG2 GLU A 26 -3.648 5.064 -5.301 1.00 21.51 H new ATOM 0 HG3 GLU A 26 -3.563 5.064 -7.051 1.00 21.51 H new ATOM 442 N LEU A 27 -6.375 4.164 -6.968 1.00 71.30 N ATOM 443 CA LEU A 27 -6.865 3.140 -7.900 1.00 22.43 C ATOM 444 C LEU A 27 -8.352 3.391 -8.215 1.00 71.51 C ATOM 445 O LEU A 27 -8.751 3.444 -9.382 1.00 52.11 O ATOM 446 CB LEU A 27 -6.684 1.735 -7.272 1.00 70.44 C ATOM 447 CG LEU A 27 -7.055 0.528 -8.171 1.00 0.13 C ATOM 448 CD1 LEU A 27 -6.154 0.476 -9.402 1.00 31.32 C ATOM 449 CD2 LEU A 27 -7.006 -0.803 -7.400 1.00 31.55 C ATOM 0 H LEU A 27 -6.176 3.807 -6.033 1.00 71.30 H new ATOM 0 HA LEU A 27 -6.294 3.192 -8.827 1.00 22.43 H new ATOM 0 HB2 LEU A 27 -5.643 1.628 -6.968 1.00 70.44 H new ATOM 0 HB3 LEU A 27 -7.288 1.685 -6.366 1.00 70.44 H new ATOM 0 HG LEU A 27 -8.084 0.672 -8.499 1.00 0.13 H new ATOM 0 HD11 LEU A 27 -6.431 -0.378 -10.020 1.00 31.32 H new ATOM 0 HD12 LEU A 27 -6.272 1.394 -9.978 1.00 31.32 H new ATOM 0 HD13 LEU A 27 -5.115 0.375 -9.088 1.00 31.32 H new ATOM 0 HD21 LEU A 27 -7.273 -1.621 -8.069 1.00 31.55 H new ATOM 0 HD22 LEU A 27 -5.999 -0.963 -7.015 1.00 31.55 H new ATOM 0 HD23 LEU A 27 -7.711 -0.769 -6.570 1.00 31.55 H new ATOM 461 N THR A 28 -9.151 3.559 -7.143 1.00 22.42 N ATOM 462 CA THR A 28 -10.597 3.828 -7.226 1.00 21.11 C ATOM 463 C THR A 28 -10.852 5.174 -7.917 1.00 63.43 C ATOM 464 O THR A 28 -11.742 5.299 -8.764 1.00 22.21 O ATOM 465 CB THR A 28 -11.230 3.809 -5.797 1.00 1.34 C ATOM 466 OG1 THR A 28 -10.979 2.531 -5.184 1.00 54.42 O ATOM 467 CG2 THR A 28 -12.747 4.070 -5.817 1.00 21.33 C ATOM 0 H THR A 28 -8.805 3.511 -6.185 1.00 22.42 H new ATOM 0 HA THR A 28 -11.067 3.046 -7.822 1.00 21.11 H new ATOM 0 HB THR A 28 -10.767 4.614 -5.226 1.00 1.34 H new ATOM 0 HG1 THR A 28 -10.044 2.485 -4.894 1.00 54.42 H new ATOM 0 HG21 THR A 28 -13.134 4.045 -4.798 1.00 21.33 H new ATOM 0 HG22 THR A 28 -12.942 5.049 -6.256 1.00 21.33 H new ATOM 0 HG23 THR A 28 -13.241 3.301 -6.411 1.00 21.33 H new ATOM 475 N ASP A 29 -10.013 6.150 -7.548 1.00 24.10 N ATOM 476 CA ASP A 29 -9.966 7.478 -8.161 1.00 72.33 C ATOM 477 C ASP A 29 -9.685 7.352 -9.663 1.00 63.52 C ATOM 478 O ASP A 29 -10.468 7.856 -10.471 1.00 12.11 O ATOM 479 CB ASP A 29 -8.878 8.333 -7.445 1.00 54.43 C ATOM 480 CG ASP A 29 -8.402 9.566 -8.223 1.00 53.32 C ATOM 481 OD1 ASP A 29 -7.371 9.466 -8.928 1.00 42.45 O ATOM 482 OD2 ASP A 29 -9.039 10.635 -8.113 1.00 51.34 O ATOM 0 H ASP A 29 -9.333 6.033 -6.797 1.00 24.10 H new ATOM 0 HA ASP A 29 -10.928 7.977 -8.046 1.00 72.33 H new ATOM 0 HB2 ASP A 29 -9.271 8.660 -6.482 1.00 54.43 H new ATOM 0 HB3 ASP A 29 -8.016 7.698 -7.239 1.00 54.43 H new ATOM 487 N LEU A 30 -8.598 6.621 -10.010 1.00 62.31 N ATOM 488 CA LEU A 30 -8.120 6.490 -11.396 1.00 14.42 C ATOM 489 C LEU A 30 -9.201 5.906 -12.315 1.00 33.30 C ATOM 490 O LEU A 30 -9.454 6.482 -13.357 1.00 41.55 O ATOM 491 CB LEU A 30 -6.792 5.654 -11.486 1.00 12.25 C ATOM 492 CG LEU A 30 -5.526 6.426 -11.988 1.00 54.15 C ATOM 493 CD1 LEU A 30 -5.682 6.872 -13.464 1.00 34.21 C ATOM 494 CD2 LEU A 30 -5.196 7.627 -11.059 1.00 44.14 C ATOM 0 H LEU A 30 -8.033 6.109 -9.333 1.00 62.31 H new ATOM 0 HA LEU A 30 -7.894 7.498 -11.745 1.00 14.42 H new ATOM 0 HB2 LEU A 30 -6.576 5.246 -10.499 1.00 12.25 H new ATOM 0 HB3 LEU A 30 -6.964 4.807 -12.151 1.00 12.25 H new ATOM 0 HG LEU A 30 -4.681 5.738 -11.947 1.00 54.15 H new ATOM 0 HD11 LEU A 30 -4.785 7.405 -13.780 1.00 34.21 H new ATOM 0 HD12 LEU A 30 -5.825 5.995 -14.096 1.00 34.21 H new ATOM 0 HD13 LEU A 30 -6.546 7.530 -13.556 1.00 34.21 H new ATOM 0 HD21 LEU A 30 -4.312 8.144 -11.433 1.00 44.14 H new ATOM 0 HD22 LEU A 30 -6.040 8.317 -11.042 1.00 44.14 H new ATOM 0 HD23 LEU A 30 -5.004 7.264 -10.049 1.00 44.14 H new ATOM 506 N LYS A 31 -9.848 4.789 -11.900 1.00 62.31 N ATOM 507 CA LYS A 31 -10.861 4.097 -12.741 1.00 13.45 C ATOM 508 C LYS A 31 -12.148 4.935 -12.885 1.00 54.14 C ATOM 509 O LYS A 31 -12.797 4.893 -13.930 1.00 64.32 O ATOM 510 CB LYS A 31 -11.153 2.653 -12.206 1.00 51.35 C ATOM 511 CG LYS A 31 -11.657 2.542 -10.740 1.00 12.21 C ATOM 512 CD LYS A 31 -13.199 2.564 -10.608 1.00 35.14 C ATOM 513 CE LYS A 31 -13.664 2.498 -9.142 1.00 22.21 C ATOM 514 NZ LYS A 31 -13.184 1.272 -8.433 1.00 51.22 N ATOM 0 H LYS A 31 -9.689 4.349 -10.994 1.00 62.31 H new ATOM 0 HA LYS A 31 -10.443 3.990 -13.742 1.00 13.45 H new ATOM 0 HB2 LYS A 31 -11.896 2.192 -12.857 1.00 51.35 H new ATOM 0 HB3 LYS A 31 -10.240 2.065 -12.298 1.00 51.35 H new ATOM 0 HG2 LYS A 31 -11.277 1.618 -10.304 1.00 12.21 H new ATOM 0 HG3 LYS A 31 -11.240 3.364 -10.159 1.00 12.21 H new ATOM 0 HD2 LYS A 31 -13.587 3.472 -11.069 1.00 35.14 H new ATOM 0 HD3 LYS A 31 -13.620 1.722 -11.158 1.00 35.14 H new ATOM 0 HE2 LYS A 31 -13.306 3.381 -8.613 1.00 22.21 H new ATOM 0 HE3 LYS A 31 -14.753 2.527 -9.110 1.00 22.21 H new ATOM 0 HZ1 LYS A 31 -13.596 1.239 -7.479 1.00 51.22 H new ATOM 0 HZ2 LYS A 31 -13.475 0.427 -8.965 1.00 51.22 H new ATOM 0 HZ3 LYS A 31 -12.147 1.296 -8.361 1.00 51.22 H new ATOM 528 N LEU A 32 -12.482 5.695 -11.827 1.00 74.23 N ATOM 529 CA LEU A 32 -13.661 6.592 -11.784 1.00 65.14 C ATOM 530 C LEU A 32 -13.570 7.664 -12.894 1.00 74.51 C ATOM 531 O LEU A 32 -14.412 7.731 -13.807 1.00 34.44 O ATOM 532 CB LEU A 32 -13.723 7.208 -10.348 1.00 5.33 C ATOM 533 CG LEU A 32 -14.847 8.259 -10.018 1.00 23.14 C ATOM 534 CD1 LEU A 32 -15.312 8.143 -8.544 1.00 70.11 C ATOM 535 CD2 LEU A 32 -14.381 9.710 -10.295 1.00 14.53 C ATOM 0 H LEU A 32 -11.937 5.707 -10.965 1.00 74.23 H new ATOM 0 HA LEU A 32 -14.584 6.046 -11.978 1.00 65.14 H new ATOM 0 HB2 LEU A 32 -13.824 6.385 -9.641 1.00 5.33 H new ATOM 0 HB3 LEU A 32 -12.761 7.682 -10.151 1.00 5.33 H new ATOM 0 HG LEU A 32 -15.685 8.032 -10.677 1.00 23.14 H new ATOM 0 HD11 LEU A 32 -16.089 8.882 -8.348 1.00 70.11 H new ATOM 0 HD12 LEU A 32 -15.709 7.144 -8.365 1.00 70.11 H new ATOM 0 HD13 LEU A 32 -14.466 8.321 -7.880 1.00 70.11 H new ATOM 0 HD21 LEU A 32 -15.187 10.403 -10.054 1.00 14.53 H new ATOM 0 HD22 LEU A 32 -13.511 9.937 -9.679 1.00 14.53 H new ATOM 0 HD23 LEU A 32 -14.117 9.813 -11.348 1.00 14.53 H new ATOM 547 N GLN A 33 -12.509 8.467 -12.824 1.00 52.13 N ATOM 548 CA GLN A 33 -12.261 9.552 -13.782 1.00 11.53 C ATOM 549 C GLN A 33 -11.930 8.977 -15.185 1.00 1.41 C ATOM 550 O GLN A 33 -12.340 9.546 -16.217 1.00 63.21 O ATOM 551 CB GLN A 33 -11.113 10.454 -13.248 1.00 44.34 C ATOM 552 CG GLN A 33 -9.813 9.686 -12.911 1.00 53.13 C ATOM 553 CD GLN A 33 -8.578 10.555 -12.732 1.00 5.51 C ATOM 554 OE1 GLN A 33 -7.414 9.966 -12.957 1.00 65.15 O flip ATOM 555 NE2 GLN A 33 -8.664 11.728 -12.366 1.00 55.23 N flip ATOM 0 H GLN A 33 -11.794 8.386 -12.101 1.00 52.13 H new ATOM 0 HA GLN A 33 -13.160 10.160 -13.887 1.00 11.53 H new ATOM 0 HB2 GLN A 33 -10.889 11.218 -13.993 1.00 44.34 H new ATOM 0 HB3 GLN A 33 -11.459 10.973 -12.354 1.00 44.34 H new ATOM 0 HG2 GLN A 33 -9.973 9.116 -11.996 1.00 53.13 H new ATOM 0 HG3 GLN A 33 -9.619 8.965 -13.705 1.00 53.13 H new ATOM 0 HE21 GLN A 33 -9.580 12.146 -12.203 1.00 55.23 H new ATOM 0 HE22 GLN A 33 -7.819 12.282 -12.226 1.00 55.23 H new ATOM 564 N LEU A 34 -11.194 7.836 -15.195 1.00 72.10 N ATOM 565 CA LEU A 34 -10.785 7.129 -16.428 1.00 30.34 C ATOM 566 C LEU A 34 -11.976 6.924 -17.340 1.00 62.54 C ATOM 567 O LEU A 34 -11.970 7.464 -18.456 1.00 52.23 O ATOM 568 CB LEU A 34 -10.136 5.755 -16.106 1.00 31.52 C ATOM 569 CG LEU A 34 -9.872 4.783 -17.302 1.00 61.55 C ATOM 570 CD1 LEU A 34 -8.927 5.409 -18.339 1.00 2.13 C ATOM 571 CD2 LEU A 34 -9.338 3.428 -16.799 1.00 1.41 C ATOM 0 H LEU A 34 -10.868 7.382 -14.342 1.00 72.10 H new ATOM 0 HA LEU A 34 -10.045 7.751 -16.931 1.00 30.34 H new ATOM 0 HB2 LEU A 34 -9.185 5.941 -15.608 1.00 31.52 H new ATOM 0 HB3 LEU A 34 -10.776 5.240 -15.389 1.00 31.52 H new ATOM 0 HG LEU A 34 -10.824 4.603 -17.802 1.00 61.55 H new ATOM 0 HD11 LEU A 34 -8.766 4.706 -19.156 1.00 2.13 H new ATOM 0 HD12 LEU A 34 -9.371 6.324 -18.730 1.00 2.13 H new ATOM 0 HD13 LEU A 34 -7.972 5.642 -17.867 1.00 2.13 H new ATOM 0 HD21 LEU A 34 -9.162 2.768 -17.649 1.00 1.41 H new ATOM 0 HD22 LEU A 34 -8.403 3.583 -16.260 1.00 1.41 H new ATOM 0 HD23 LEU A 34 -10.071 2.973 -16.132 1.00 1.41 H new ATOM 774 N PHE B 102 8.343 -15.132 21.731 1.00 31.20 N ATOM 775 CA PHE B 102 8.204 -13.977 20.827 1.00 51.00 C ATOM 776 C PHE B 102 8.582 -14.336 19.379 1.00 0.11 C ATOM 777 O PHE B 102 8.442 -13.500 18.471 1.00 32.43 O ATOM 778 CB PHE B 102 9.095 -12.836 21.334 1.00 4.13 C ATOM 779 CG PHE B 102 8.731 -12.302 22.721 1.00 72.31 C ATOM 780 CD1 PHE B 102 9.467 -12.665 23.853 1.00 14.50 C ATOM 781 CD2 PHE B 102 7.664 -11.423 22.889 1.00 73.01 C ATOM 782 CE1 PHE B 102 9.150 -12.154 25.095 1.00 52.41 C ATOM 783 CE2 PHE B 102 7.348 -10.917 24.129 1.00 55.22 C ATOM 784 CZ PHE B 102 8.086 -11.285 25.234 1.00 23.35 C ATOM 0 HA PHE B 102 7.159 -13.667 20.823 1.00 51.00 H new ATOM 0 HB2 PHE B 102 10.128 -13.183 21.354 1.00 4.13 H new ATOM 0 HB3 PHE B 102 9.048 -12.014 20.620 1.00 4.13 H new ATOM 0 HD1 PHE B 102 10.293 -13.353 23.754 1.00 14.50 H new ATOM 0 HD2 PHE B 102 7.075 -11.134 22.032 1.00 73.01 H new ATOM 0 HE1 PHE B 102 9.735 -12.434 25.959 1.00 52.41 H new ATOM 0 HE2 PHE B 102 6.521 -10.231 24.237 1.00 55.22 H new ATOM 0 HZ PHE B 102 7.832 -10.894 26.208 1.00 23.35 H new ATOM 794 N LYS B 103 9.065 -15.581 19.161 1.00 32.34 N ATOM 795 CA LYS B 103 9.352 -16.081 17.803 1.00 14.01 C ATOM 796 C LYS B 103 8.064 -16.033 16.973 1.00 21.34 C ATOM 797 O LYS B 103 8.092 -15.748 15.772 1.00 43.31 O ATOM 798 CB LYS B 103 9.947 -17.524 17.801 1.00 20.42 C ATOM 799 CG LYS B 103 8.950 -18.691 18.070 1.00 12.41 C ATOM 800 CD LYS B 103 8.448 -18.793 19.539 1.00 53.23 C ATOM 801 CE LYS B 103 9.432 -19.532 20.479 1.00 23.32 C ATOM 802 NZ LYS B 103 10.773 -18.889 20.567 1.00 1.45 N ATOM 0 H LYS B 103 9.262 -16.251 19.904 1.00 32.34 H new ATOM 0 HA LYS B 103 10.113 -15.436 17.363 1.00 14.01 H new ATOM 0 HB2 LYS B 103 10.420 -17.696 16.834 1.00 20.42 H new ATOM 0 HB3 LYS B 103 10.735 -17.569 18.553 1.00 20.42 H new ATOM 0 HG2 LYS B 103 8.088 -18.573 17.413 1.00 12.41 H new ATOM 0 HG3 LYS B 103 9.431 -19.631 17.799 1.00 12.41 H new ATOM 0 HD2 LYS B 103 8.274 -17.789 19.925 1.00 53.23 H new ATOM 0 HD3 LYS B 103 7.489 -19.310 19.551 1.00 53.23 H new ATOM 0 HE2 LYS B 103 8.997 -19.584 21.477 1.00 23.32 H new ATOM 0 HE3 LYS B 103 9.553 -20.558 20.130 1.00 23.32 H new ATOM 0 HZ1 LYS B 103 11.220 -19.140 21.472 1.00 1.45 H new ATOM 0 HZ2 LYS B 103 11.369 -19.221 19.782 1.00 1.45 H new ATOM 0 HZ3 LYS B 103 10.667 -17.856 20.508 1.00 1.45 H new ATOM 816 N LYS B 104 6.921 -16.288 17.668 1.00 1.43 N ATOM 817 CA LYS B 104 5.600 -16.211 17.075 1.00 1.44 C ATOM 818 C LYS B 104 5.298 -14.785 16.601 1.00 21.40 C ATOM 819 O LYS B 104 4.792 -14.637 15.509 1.00 53.44 O ATOM 820 CB LYS B 104 4.510 -16.768 18.044 1.00 45.51 C ATOM 821 CG LYS B 104 4.359 -16.048 19.415 1.00 75.41 C ATOM 822 CD LYS B 104 3.376 -14.839 19.417 1.00 60.23 C ATOM 823 CE LYS B 104 1.940 -15.193 18.978 1.00 54.42 C ATOM 824 NZ LYS B 104 1.283 -16.149 19.911 1.00 34.11 N ATOM 0 H LYS B 104 6.914 -16.551 18.654 1.00 1.43 H new ATOM 0 HA LYS B 104 5.581 -16.849 16.192 1.00 1.44 H new ATOM 0 HB2 LYS B 104 3.548 -16.730 17.532 1.00 45.51 H new ATOM 0 HB3 LYS B 104 4.729 -17.819 18.234 1.00 45.51 H new ATOM 0 HG2 LYS B 104 4.021 -16.774 20.155 1.00 75.41 H new ATOM 0 HG3 LYS B 104 5.341 -15.700 19.736 1.00 75.41 H new ATOM 0 HD2 LYS B 104 3.343 -14.413 20.420 1.00 60.23 H new ATOM 0 HD3 LYS B 104 3.767 -14.066 18.755 1.00 60.23 H new ATOM 0 HE2 LYS B 104 1.346 -14.281 18.918 1.00 54.42 H new ATOM 0 HE3 LYS B 104 1.964 -15.624 17.977 1.00 54.42 H new ATOM 0 HZ1 LYS B 104 0.321 -16.357 19.575 1.00 34.11 H new ATOM 0 HZ2 LYS B 104 1.834 -17.030 19.950 1.00 34.11 H new ATOM 0 HZ3 LYS B 104 1.234 -15.729 20.861 1.00 34.11 H new ATOM 838 N LEU B 105 5.667 -13.729 17.404 1.00 3.43 N ATOM 839 CA LEU B 105 5.372 -12.313 17.035 1.00 30.54 C ATOM 840 C LEU B 105 6.065 -11.986 15.718 1.00 14.52 C ATOM 841 O LEU B 105 5.483 -11.323 14.851 1.00 20.21 O ATOM 842 CB LEU B 105 5.744 -11.268 18.178 1.00 73.11 C ATOM 843 CG LEU B 105 7.207 -10.624 18.245 1.00 35.32 C ATOM 844 CD1 LEU B 105 7.478 -9.546 17.167 1.00 62.11 C ATOM 845 CD2 LEU B 105 7.487 -10.012 19.625 1.00 1.15 C ATOM 0 H LEU B 105 6.159 -13.837 18.291 1.00 3.43 H new ATOM 0 HA LEU B 105 4.293 -12.218 16.913 1.00 30.54 H new ATOM 0 HB2 LEU B 105 5.033 -10.445 18.105 1.00 73.11 H new ATOM 0 HB3 LEU B 105 5.565 -11.760 19.134 1.00 73.11 H new ATOM 0 HG LEU B 105 7.879 -11.460 18.051 1.00 35.32 H new ATOM 0 HD11 LEU B 105 8.491 -9.162 17.284 1.00 62.11 H new ATOM 0 HD12 LEU B 105 7.369 -9.987 16.176 1.00 62.11 H new ATOM 0 HD13 LEU B 105 6.765 -8.730 17.281 1.00 62.11 H new ATOM 0 HD21 LEU B 105 8.489 -9.583 19.636 1.00 1.15 H new ATOM 0 HD22 LEU B 105 6.756 -9.231 19.832 1.00 1.15 H new ATOM 0 HD23 LEU B 105 7.415 -10.787 20.388 1.00 1.15 H new ATOM 857 N TYR B 106 7.331 -12.468 15.595 1.00 65.33 N ATOM 858 CA TYR B 106 8.136 -12.286 14.387 1.00 74.53 C ATOM 859 C TYR B 106 7.386 -12.875 13.185 1.00 73.32 C ATOM 860 O TYR B 106 7.217 -12.211 12.175 1.00 12.02 O ATOM 861 CB TYR B 106 9.542 -12.938 14.546 1.00 42.31 C ATOM 862 CG TYR B 106 10.546 -12.498 13.460 1.00 13.03 C ATOM 863 CD1 TYR B 106 10.964 -13.340 12.425 1.00 61.11 C ATOM 864 CD2 TYR B 106 11.038 -11.197 13.465 1.00 41.00 C ATOM 865 CE1 TYR B 106 11.843 -12.887 11.450 1.00 32.14 C ATOM 866 CE2 TYR B 106 11.911 -10.737 12.505 1.00 35.44 C ATOM 867 CZ TYR B 106 12.307 -11.582 11.491 1.00 63.12 C ATOM 868 OH TYR B 106 13.176 -11.132 10.518 1.00 10.14 O ATOM 0 H TYR B 106 7.807 -12.988 16.333 1.00 65.33 H new ATOM 0 HA TYR B 106 8.293 -11.220 14.221 1.00 74.53 H new ATOM 0 HB2 TYR B 106 9.944 -12.684 15.527 1.00 42.31 H new ATOM 0 HB3 TYR B 106 9.437 -14.023 14.516 1.00 42.31 H new ATOM 0 HD1 TYR B 106 10.599 -14.355 12.383 1.00 61.11 H new ATOM 0 HD2 TYR B 106 10.724 -10.524 14.249 1.00 41.00 H new ATOM 0 HE1 TYR B 106 12.164 -13.551 10.661 1.00 32.14 H new ATOM 0 HE2 TYR B 106 12.282 -9.724 12.546 1.00 35.44 H new ATOM 0 HH TYR B 106 13.404 -10.195 10.691 1.00 10.14 H new ATOM 878 N GLU B 107 6.864 -14.095 13.373 1.00 41.34 N ATOM 879 CA GLU B 107 6.111 -14.835 12.350 1.00 44.23 C ATOM 880 C GLU B 107 4.761 -14.161 12.010 1.00 42.15 C ATOM 881 O GLU B 107 4.395 -14.119 10.846 1.00 21.21 O ATOM 882 CB GLU B 107 5.891 -16.285 12.846 1.00 3.52 C ATOM 883 CG GLU B 107 7.194 -17.108 12.983 1.00 73.31 C ATOM 884 CD GLU B 107 6.989 -18.462 13.678 1.00 34.24 C ATOM 885 OE1 GLU B 107 6.923 -19.504 12.996 1.00 0.13 O ATOM 886 OE2 GLU B 107 6.870 -18.489 14.916 1.00 21.24 O ATOM 0 H GLU B 107 6.954 -14.603 14.253 1.00 41.34 H new ATOM 0 HA GLU B 107 6.693 -14.838 11.428 1.00 44.23 H new ATOM 0 HB2 GLU B 107 5.389 -16.255 13.813 1.00 3.52 H new ATOM 0 HB3 GLU B 107 5.221 -16.797 12.155 1.00 3.52 H new ATOM 0 HG2 GLU B 107 7.615 -17.277 11.992 1.00 73.31 H new ATOM 0 HG3 GLU B 107 7.925 -16.526 13.545 1.00 73.31 H new ATOM 893 N GLN B 108 4.047 -13.628 13.032 1.00 64.44 N ATOM 894 CA GLN B 108 2.691 -13.047 12.855 1.00 2.23 C ATOM 895 C GLN B 108 2.744 -11.761 12.021 1.00 62.42 C ATOM 896 O GLN B 108 2.103 -11.665 10.966 1.00 22.30 O ATOM 897 CB GLN B 108 1.973 -12.745 14.216 1.00 75.45 C ATOM 898 CG GLN B 108 1.863 -13.925 15.213 1.00 63.24 C ATOM 899 CD GLN B 108 1.488 -15.264 14.573 1.00 15.02 C ATOM 900 OE1 GLN B 108 0.312 -15.616 14.458 1.00 71.22 O ATOM 901 NE2 GLN B 108 2.496 -16.006 14.136 1.00 3.13 N ATOM 0 H GLN B 108 4.389 -13.588 13.992 1.00 64.44 H new ATOM 0 HA GLN B 108 2.111 -13.806 12.330 1.00 2.23 H new ATOM 0 HB2 GLN B 108 2.503 -11.930 14.709 1.00 75.45 H new ATOM 0 HB3 GLN B 108 0.967 -12.386 13.999 1.00 75.45 H new ATOM 0 HG2 GLN B 108 2.816 -14.038 15.729 1.00 63.24 H new ATOM 0 HG3 GLN B 108 1.118 -13.677 15.969 1.00 63.24 H new ATOM 0 HE21 GLN B 108 3.456 -15.680 14.250 1.00 3.13 H new ATOM 0 HE22 GLN B 108 2.312 -16.903 13.686 1.00 3.13 H new ATOM 910 N ILE B 109 3.520 -10.776 12.517 1.00 12.34 N ATOM 911 CA ILE B 109 3.594 -9.443 11.905 1.00 54.14 C ATOM 912 C ILE B 109 4.308 -9.510 10.541 1.00 1.35 C ATOM 913 O ILE B 109 3.933 -8.788 9.623 1.00 64.34 O ATOM 914 CB ILE B 109 4.331 -8.390 12.814 1.00 55.40 C ATOM 915 CG1 ILE B 109 3.855 -8.457 14.297 1.00 51.22 C ATOM 916 CG2 ILE B 109 4.127 -6.958 12.251 1.00 31.22 C ATOM 917 CD1 ILE B 109 4.620 -7.532 15.230 1.00 24.54 C ATOM 0 H ILE B 109 4.106 -10.885 13.345 1.00 12.34 H new ATOM 0 HA ILE B 109 2.563 -9.113 11.777 1.00 54.14 H new ATOM 0 HB ILE B 109 5.393 -8.637 12.801 1.00 55.40 H new ATOM 0 HG12 ILE B 109 2.795 -8.206 14.340 1.00 51.22 H new ATOM 0 HG13 ILE B 109 3.955 -9.482 14.655 1.00 51.22 H new ATOM 0 HG21 ILE B 109 4.642 -6.239 12.889 1.00 31.22 H new ATOM 0 HG22 ILE B 109 4.533 -6.903 11.241 1.00 31.22 H new ATOM 0 HG23 ILE B 109 3.063 -6.725 12.227 1.00 31.22 H new ATOM 0 HD11 ILE B 109 4.232 -7.635 16.243 1.00 24.54 H new ATOM 0 HD12 ILE B 109 5.677 -7.796 15.218 1.00 24.54 H new ATOM 0 HD13 ILE B 109 4.500 -6.501 14.899 1.00 24.54 H new ATOM 929 N LEU B 110 5.352 -10.366 10.428 1.00 71.51 N ATOM 930 CA LEU B 110 6.120 -10.528 9.169 1.00 60.30 C ATOM 931 C LEU B 110 5.322 -11.322 8.119 1.00 23.14 C ATOM 932 O LEU B 110 5.541 -11.142 6.918 1.00 62.12 O ATOM 933 CB LEU B 110 7.496 -11.200 9.410 1.00 51.44 C ATOM 934 CG LEU B 110 8.531 -11.102 8.240 1.00 33.44 C ATOM 935 CD1 LEU B 110 8.954 -9.636 7.980 1.00 15.24 C ATOM 936 CD2 LEU B 110 9.753 -12.009 8.493 1.00 14.21 C ATOM 0 H LEU B 110 5.682 -10.955 11.193 1.00 71.51 H new ATOM 0 HA LEU B 110 6.297 -9.524 8.784 1.00 60.30 H new ATOM 0 HB2 LEU B 110 7.942 -10.756 10.300 1.00 51.44 H new ATOM 0 HB3 LEU B 110 7.328 -12.254 9.630 1.00 51.44 H new ATOM 0 HG LEU B 110 8.040 -11.463 7.336 1.00 33.44 H new ATOM 0 HD11 LEU B 110 9.673 -9.605 7.161 1.00 15.24 H new ATOM 0 HD12 LEU B 110 8.077 -9.046 7.715 1.00 15.24 H new ATOM 0 HD13 LEU B 110 9.410 -9.224 8.880 1.00 15.24 H new ATOM 0 HD21 LEU B 110 10.452 -11.917 7.662 1.00 14.21 H new ATOM 0 HD22 LEU B 110 10.246 -11.706 9.417 1.00 14.21 H new ATOM 0 HD23 LEU B 110 9.426 -13.045 8.579 1.00 14.21 H new ATOM 948 N ALA B 111 4.411 -12.210 8.577 1.00 61.34 N ATOM 949 CA ALA B 111 3.455 -12.895 7.680 1.00 73.44 C ATOM 950 C ALA B 111 2.535 -11.861 7.024 1.00 42.51 C ATOM 951 O ALA B 111 2.301 -11.896 5.807 1.00 11.42 O ATOM 952 CB ALA B 111 2.615 -13.935 8.438 1.00 32.11 C ATOM 0 H ALA B 111 4.318 -12.468 9.559 1.00 61.34 H new ATOM 0 HA ALA B 111 4.026 -13.421 6.915 1.00 73.44 H new ATOM 0 HB1 ALA B 111 1.924 -14.418 7.747 1.00 32.11 H new ATOM 0 HB2 ALA B 111 3.273 -14.685 8.876 1.00 32.11 H new ATOM 0 HB3 ALA B 111 2.051 -13.441 9.229 1.00 32.11 H new ATOM 958 N GLU B 112 2.030 -10.929 7.861 1.00 22.14 N ATOM 959 CA GLU B 112 1.191 -9.823 7.401 1.00 72.32 C ATOM 960 C GLU B 112 2.000 -8.897 6.480 1.00 63.12 C ATOM 961 O GLU B 112 1.542 -8.543 5.411 1.00 14.41 O ATOM 962 CB GLU B 112 0.619 -9.021 8.599 1.00 54.14 C ATOM 963 CG GLU B 112 -0.494 -8.018 8.206 1.00 1.24 C ATOM 964 CD GLU B 112 -1.843 -8.695 7.899 1.00 3.33 C ATOM 965 OE1 GLU B 112 -2.733 -8.721 8.778 1.00 4.42 O ATOM 966 OE2 GLU B 112 -2.008 -9.236 6.797 1.00 5.21 O ATOM 0 H GLU B 112 2.197 -10.930 8.867 1.00 22.14 H new ATOM 0 HA GLU B 112 0.353 -10.240 6.842 1.00 72.32 H new ATOM 0 HB2 GLU B 112 0.222 -9.720 9.335 1.00 54.14 H new ATOM 0 HB3 GLU B 112 1.431 -8.477 9.081 1.00 54.14 H new ATOM 0 HG2 GLU B 112 -0.631 -7.302 9.016 1.00 1.24 H new ATOM 0 HG3 GLU B 112 -0.172 -7.452 7.332 1.00 1.24 H new ATOM 973 N ASN B 113 3.236 -8.580 6.916 1.00 14.41 N ATOM 974 CA ASN B 113 4.175 -7.665 6.225 1.00 23.42 C ATOM 975 C ASN B 113 4.503 -8.187 4.809 1.00 52.22 C ATOM 976 O ASN B 113 4.563 -7.413 3.848 1.00 41.23 O ATOM 977 CB ASN B 113 5.472 -7.537 7.075 1.00 43.52 C ATOM 978 CG ASN B 113 6.520 -6.577 6.504 1.00 1.34 C ATOM 979 OD1 ASN B 113 7.298 -6.940 5.622 1.00 42.14 O ATOM 980 ND2 ASN B 113 6.580 -5.360 7.029 1.00 23.43 N ATOM 0 H ASN B 113 3.621 -8.961 7.780 1.00 14.41 H new ATOM 0 HA ASN B 113 3.712 -6.684 6.118 1.00 23.42 H new ATOM 0 HB2 ASN B 113 5.202 -7.204 8.077 1.00 43.52 H new ATOM 0 HB3 ASN B 113 5.922 -8.525 7.178 1.00 43.52 H new ATOM 0 HD21 ASN B 113 7.284 -4.698 6.703 1.00 23.43 H new ATOM 0 HD22 ASN B 113 5.922 -5.086 7.759 1.00 23.43 H new ATOM 987 N GLU B 114 4.688 -9.519 4.718 1.00 22.55 N ATOM 988 CA GLU B 114 4.911 -10.241 3.456 1.00 74.15 C ATOM 989 C GLU B 114 3.725 -10.027 2.514 1.00 61.14 C ATOM 990 O GLU B 114 3.906 -9.585 1.366 1.00 0.24 O ATOM 991 CB GLU B 114 5.146 -11.766 3.724 1.00 24.55 C ATOM 992 CG GLU B 114 4.769 -12.697 2.543 1.00 42.11 C ATOM 993 CD GLU B 114 5.351 -14.116 2.651 1.00 72.12 C ATOM 994 OE1 GLU B 114 4.629 -15.044 3.072 1.00 40.34 O ATOM 995 OE2 GLU B 114 6.546 -14.304 2.324 1.00 15.33 O ATOM 0 H GLU B 114 4.686 -10.130 5.534 1.00 22.55 H new ATOM 0 HA GLU B 114 5.808 -9.845 2.979 1.00 74.15 H new ATOM 0 HB2 GLU B 114 6.197 -11.920 3.969 1.00 24.55 H new ATOM 0 HB3 GLU B 114 4.568 -12.060 4.600 1.00 24.55 H new ATOM 0 HG2 GLU B 114 3.683 -12.765 2.481 1.00 42.11 H new ATOM 0 HG3 GLU B 114 5.114 -12.244 1.613 1.00 42.11 H new ATOM 1002 N LYS B 115 2.519 -10.334 3.026 1.00 11.03 N ATOM 1003 CA LYS B 115 1.273 -10.160 2.282 1.00 41.31 C ATOM 1004 C LYS B 115 1.132 -8.709 1.814 1.00 44.31 C ATOM 1005 O LYS B 115 0.757 -8.466 0.681 1.00 34.35 O ATOM 1006 CB LYS B 115 0.031 -10.520 3.139 1.00 23.54 C ATOM 1007 CG LYS B 115 -1.304 -10.469 2.345 1.00 63.30 C ATOM 1008 CD LYS B 115 -2.557 -10.309 3.231 1.00 0.34 C ATOM 1009 CE LYS B 115 -2.755 -8.859 3.716 1.00 31.14 C ATOM 1010 NZ LYS B 115 -3.882 -8.759 4.679 1.00 54.33 N ATOM 0 H LYS B 115 2.389 -10.708 3.966 1.00 11.03 H new ATOM 0 HA LYS B 115 1.318 -10.835 1.427 1.00 41.31 H new ATOM 0 HB2 LYS B 115 0.161 -11.520 3.552 1.00 23.54 H new ATOM 0 HB3 LYS B 115 -0.030 -9.833 3.983 1.00 23.54 H new ATOM 0 HG2 LYS B 115 -1.263 -9.640 1.639 1.00 63.30 H new ATOM 0 HG3 LYS B 115 -1.401 -11.383 1.759 1.00 63.30 H new ATOM 0 HD2 LYS B 115 -3.437 -10.625 2.671 1.00 0.34 H new ATOM 0 HD3 LYS B 115 -2.475 -10.970 4.094 1.00 0.34 H new ATOM 0 HE2 LYS B 115 -1.839 -8.503 4.187 1.00 31.14 H new ATOM 0 HE3 LYS B 115 -2.946 -8.211 2.861 1.00 31.14 H new ATOM 0 HZ1 LYS B 115 -4.309 -7.813 4.616 1.00 54.33 H new ATOM 0 HZ2 LYS B 115 -4.598 -9.478 4.451 1.00 54.33 H new ATOM 0 HZ3 LYS B 115 -3.529 -8.916 5.644 1.00 54.33 H new ATOM 1024 N LEU B 116 1.489 -7.766 2.708 1.00 51.23 N ATOM 1025 CA LEU B 116 1.350 -6.327 2.471 1.00 11.14 C ATOM 1026 C LEU B 116 2.257 -5.855 1.316 1.00 24.24 C ATOM 1027 O LEU B 116 1.905 -4.933 0.579 1.00 25.01 O ATOM 1028 CB LEU B 116 1.601 -5.517 3.767 1.00 70.53 C ATOM 1029 CG LEU B 116 0.530 -5.678 4.893 1.00 71.44 C ATOM 1030 CD1 LEU B 116 0.927 -4.918 6.175 1.00 34.21 C ATOM 1031 CD2 LEU B 116 -0.864 -5.245 4.405 1.00 63.45 C ATOM 0 H LEU B 116 1.885 -7.990 3.621 1.00 51.23 H new ATOM 0 HA LEU B 116 0.320 -6.140 2.167 1.00 11.14 H new ATOM 0 HB2 LEU B 116 2.571 -5.807 4.171 1.00 70.53 H new ATOM 0 HB3 LEU B 116 1.668 -4.461 3.505 1.00 70.53 H new ATOM 0 HG LEU B 116 0.485 -6.738 5.143 1.00 71.44 H new ATOM 0 HD11 LEU B 116 0.156 -5.056 6.933 1.00 34.21 H new ATOM 0 HD12 LEU B 116 1.876 -5.304 6.548 1.00 34.21 H new ATOM 0 HD13 LEU B 116 1.030 -3.856 5.951 1.00 34.21 H new ATOM 0 HD21 LEU B 116 -1.587 -5.369 5.212 1.00 63.45 H new ATOM 0 HD22 LEU B 116 -0.835 -4.198 4.102 1.00 63.45 H new ATOM 0 HD23 LEU B 116 -1.159 -5.861 3.555 1.00 63.45 H new ATOM 1043 N LYS B 117 3.401 -6.521 1.144 1.00 70.44 N ATOM 1044 CA LYS B 117 4.309 -6.250 0.020 1.00 62.40 C ATOM 1045 C LYS B 117 3.750 -6.836 -1.298 1.00 12.44 C ATOM 1046 O LYS B 117 3.871 -6.220 -2.369 1.00 30.40 O ATOM 1047 CB LYS B 117 5.729 -6.773 0.341 1.00 72.14 C ATOM 1048 CG LYS B 117 6.409 -6.015 1.512 1.00 50.33 C ATOM 1049 CD LYS B 117 7.824 -6.536 1.837 1.00 35.24 C ATOM 1050 CE LYS B 117 7.830 -7.990 2.331 1.00 65.51 C ATOM 1051 NZ LYS B 117 9.211 -8.488 2.544 1.00 34.10 N ATOM 0 H LYS B 117 3.725 -7.257 1.772 1.00 70.44 H new ATOM 0 HA LYS B 117 4.382 -5.172 -0.124 1.00 62.40 H new ATOM 0 HB2 LYS B 117 5.672 -7.833 0.588 1.00 72.14 H new ATOM 0 HB3 LYS B 117 6.351 -6.686 -0.550 1.00 72.14 H new ATOM 0 HG2 LYS B 117 6.468 -4.955 1.264 1.00 50.33 H new ATOM 0 HG3 LYS B 117 5.785 -6.100 2.402 1.00 50.33 H new ATOM 0 HD2 LYS B 117 8.447 -6.458 0.946 1.00 35.24 H new ATOM 0 HD3 LYS B 117 8.274 -5.898 2.597 1.00 35.24 H new ATOM 0 HE2 LYS B 117 7.269 -8.061 3.263 1.00 65.51 H new ATOM 0 HE3 LYS B 117 7.322 -8.624 1.604 1.00 65.51 H new ATOM 0 HZ1 LYS B 117 9.177 -9.473 2.877 1.00 34.10 H new ATOM 0 HZ2 LYS B 117 9.738 -8.443 1.649 1.00 34.10 H new ATOM 0 HZ3 LYS B 117 9.687 -7.898 3.256 1.00 34.10 H new ATOM 1065 N ALA B 118 3.089 -8.002 -1.189 1.00 21.14 N ATOM 1066 CA ALA B 118 2.501 -8.716 -2.340 1.00 72.12 C ATOM 1067 C ALA B 118 1.256 -7.977 -2.880 1.00 62.30 C ATOM 1068 O ALA B 118 1.084 -7.824 -4.095 1.00 14.25 O ATOM 1069 CB ALA B 118 2.145 -10.158 -1.927 1.00 54.13 C ATOM 0 H ALA B 118 2.946 -8.478 -0.298 1.00 21.14 H new ATOM 0 HA ALA B 118 3.236 -8.746 -3.144 1.00 72.12 H new ATOM 0 HB1 ALA B 118 1.711 -10.684 -2.778 1.00 54.13 H new ATOM 0 HB2 ALA B 118 3.047 -10.676 -1.602 1.00 54.13 H new ATOM 0 HB3 ALA B 118 1.425 -10.135 -1.109 1.00 54.13 H new ATOM 1075 N GLN B 119 0.415 -7.493 -1.949 1.00 15.42 N ATOM 1076 CA GLN B 119 -0.872 -6.859 -2.269 1.00 24.21 C ATOM 1077 C GLN B 119 -0.661 -5.436 -2.790 1.00 3.34 C ATOM 1078 O GLN B 119 -1.413 -4.993 -3.657 1.00 12.12 O ATOM 1079 CB GLN B 119 -1.831 -6.876 -1.036 1.00 15.43 C ATOM 1080 CG GLN B 119 -1.298 -6.162 0.227 1.00 4.54 C ATOM 1081 CD GLN B 119 -1.551 -4.658 0.316 1.00 74.44 C ATOM 1082 OE1 GLN B 119 -2.550 -4.149 -0.169 1.00 42.44 O ATOM 1083 NE2 GLN B 119 -0.626 -3.937 0.924 1.00 54.13 N ATOM 0 H GLN B 119 0.612 -7.532 -0.949 1.00 15.42 H new ATOM 0 HA GLN B 119 -1.347 -7.439 -3.061 1.00 24.21 H new ATOM 0 HB2 GLN B 119 -2.774 -6.412 -1.324 1.00 15.43 H new ATOM 0 HB3 GLN B 119 -2.050 -7.913 -0.782 1.00 15.43 H new ATOM 0 HG2 GLN B 119 -1.745 -6.636 1.101 1.00 4.54 H new ATOM 0 HG3 GLN B 119 -0.223 -6.332 0.287 1.00 4.54 H new ATOM 0 HE21 GLN B 119 0.197 -4.392 1.319 1.00 54.13 H new ATOM 0 HE22 GLN B 119 -0.735 -2.926 0.999 1.00 54.13 H new ATOM 1092 N LEU B 120 0.352 -4.712 -2.235 1.00 21.11 N ATOM 1093 CA LEU B 120 0.689 -3.364 -2.720 1.00 75.12 C ATOM 1094 C LEU B 120 1.179 -3.473 -4.166 1.00 55.33 C ATOM 1095 O LEU B 120 0.755 -2.699 -5.014 1.00 12.34 O ATOM 1096 CB LEU B 120 1.730 -2.626 -1.796 1.00 52.35 C ATOM 1097 CG LEU B 120 3.283 -2.907 -1.988 1.00 53.33 C ATOM 1098 CD1 LEU B 120 3.935 -2.011 -3.074 1.00 11.41 C ATOM 1099 CD2 LEU B 120 4.059 -2.759 -0.671 1.00 4.14 C ATOM 0 H LEU B 120 0.934 -5.042 -1.465 1.00 21.11 H new ATOM 0 HA LEU B 120 -0.208 -2.745 -2.686 1.00 75.12 H new ATOM 0 HB2 LEU B 120 1.574 -1.554 -1.919 1.00 52.35 H new ATOM 0 HB3 LEU B 120 1.479 -2.868 -0.763 1.00 52.35 H new ATOM 0 HG LEU B 120 3.345 -3.941 -2.326 1.00 53.33 H new ATOM 0 HD11 LEU B 120 4.995 -2.252 -3.156 1.00 11.41 H new ATOM 0 HD12 LEU B 120 3.447 -2.188 -4.033 1.00 11.41 H new ATOM 0 HD13 LEU B 120 3.822 -0.963 -2.797 1.00 11.41 H new ATOM 0 HD21 LEU B 120 5.116 -2.959 -0.847 1.00 4.14 H new ATOM 0 HD22 LEU B 120 3.940 -1.744 -0.291 1.00 4.14 H new ATOM 0 HD23 LEU B 120 3.672 -3.468 0.061 1.00 4.14 H new ATOM 1111 N HIS B 121 2.050 -4.488 -4.426 1.00 43.30 N ATOM 1112 CA HIS B 121 2.608 -4.755 -5.765 1.00 62.13 C ATOM 1113 C HIS B 121 1.481 -4.973 -6.790 1.00 1.05 C ATOM 1114 O HIS B 121 1.498 -4.383 -7.870 1.00 2.34 O ATOM 1115 CB HIS B 121 3.547 -5.988 -5.724 1.00 10.30 C ATOM 1116 CG HIS B 121 4.116 -6.368 -7.074 1.00 50.30 C ATOM 1117 ND1 HIS B 121 3.586 -7.372 -7.859 1.00 73.12 N ATOM 1118 CD2 HIS B 121 5.151 -5.856 -7.783 1.00 70.42 C ATOM 1119 CE1 HIS B 121 4.268 -7.461 -8.981 1.00 55.03 C ATOM 1120 NE2 HIS B 121 5.216 -6.550 -8.962 1.00 10.41 N ATOM 0 H HIS B 121 2.378 -5.136 -3.710 1.00 43.30 H new ATOM 0 HA HIS B 121 3.189 -3.886 -6.073 1.00 62.13 H new ATOM 0 HB2 HIS B 121 4.369 -5.784 -5.038 1.00 10.30 H new ATOM 0 HB3 HIS B 121 2.998 -6.838 -5.319 1.00 10.30 H new ATOM 0 HD2 HIS B 121 5.803 -5.051 -7.476 1.00 70.42 H new ATOM 0 HE1 HIS B 121 4.081 -8.162 -9.781 1.00 55.03 H new ATOM 0 HE2 HIS B 121 5.893 -6.386 -9.707 1.00 10.41 H new ATOM 1129 N ASP B 122 0.495 -5.803 -6.400 1.00 22.24 N ATOM 1130 CA ASP B 122 -0.668 -6.137 -7.236 1.00 72.43 C ATOM 1131 C ASP B 122 -1.526 -4.891 -7.524 1.00 14.31 C ATOM 1132 O ASP B 122 -1.915 -4.657 -8.663 1.00 71.00 O ATOM 1133 CB ASP B 122 -1.517 -7.242 -6.555 1.00 41.52 C ATOM 1134 CG ASP B 122 -2.800 -7.592 -7.334 1.00 53.02 C ATOM 1135 OD1 ASP B 122 -3.907 -7.172 -6.915 1.00 14.43 O ATOM 1136 OD2 ASP B 122 -2.704 -8.283 -8.372 1.00 22.14 O ATOM 0 H ASP B 122 0.485 -6.262 -5.489 1.00 22.24 H new ATOM 0 HA ASP B 122 -0.303 -6.514 -8.191 1.00 72.43 H new ATOM 0 HB2 ASP B 122 -0.910 -8.141 -6.445 1.00 41.52 H new ATOM 0 HB3 ASP B 122 -1.788 -6.916 -5.551 1.00 41.52 H new ATOM 1141 N THR B 123 -1.786 -4.090 -6.479 1.00 1.33 N ATOM 1142 CA THR B 123 -2.592 -2.861 -6.584 1.00 3.24 C ATOM 1143 C THR B 123 -1.843 -1.760 -7.374 1.00 51.13 C ATOM 1144 O THR B 123 -2.472 -0.893 -7.998 1.00 61.22 O ATOM 1145 CB THR B 123 -3.014 -2.377 -5.157 1.00 53.13 C ATOM 1146 OG1 THR B 123 -3.666 -3.463 -4.480 1.00 54.13 O ATOM 1147 CG2 THR B 123 -3.976 -1.174 -5.186 1.00 41.05 C ATOM 0 H THR B 123 -1.444 -4.275 -5.536 1.00 1.33 H new ATOM 0 HA THR B 123 -3.498 -3.083 -7.147 1.00 3.24 H new ATOM 0 HB THR B 123 -2.108 -2.058 -4.642 1.00 53.13 H new ATOM 0 HG1 THR B 123 -2.992 -4.086 -4.137 1.00 54.13 H new ATOM 0 HG21 THR B 123 -4.231 -0.887 -4.166 1.00 41.05 H new ATOM 0 HG22 THR B 123 -3.495 -0.335 -5.690 1.00 41.05 H new ATOM 0 HG23 THR B 123 -4.884 -1.447 -5.723 1.00 41.05 H new ATOM 1155 N ASN B 124 -0.494 -1.831 -7.372 1.00 15.54 N ATOM 1156 CA ASN B 124 0.358 -0.954 -8.199 1.00 3.34 C ATOM 1157 C ASN B 124 0.226 -1.359 -9.676 1.00 43.41 C ATOM 1158 O ASN B 124 0.238 -0.501 -10.550 1.00 3.42 O ATOM 1159 CB ASN B 124 1.857 -1.007 -7.758 1.00 53.31 C ATOM 1160 CG ASN B 124 2.198 -0.217 -6.478 1.00 51.01 C ATOM 1161 OD1 ASN B 124 1.284 -0.127 -5.522 1.00 43.54 O flip ATOM 1162 ND2 ASN B 124 3.309 0.302 -6.345 1.00 30.33 N flip ATOM 0 H ASN B 124 0.030 -2.494 -6.801 1.00 15.54 H new ATOM 0 HA ASN B 124 0.017 0.072 -8.063 1.00 3.34 H new ATOM 0 HB2 ASN B 124 2.137 -2.049 -7.607 1.00 53.31 H new ATOM 0 HB3 ASN B 124 2.472 -0.627 -8.574 1.00 53.31 H new ATOM 0 HD21 ASN B 124 4.001 0.223 -7.090 1.00 30.33 H new ATOM 0 HD22 ASN B 124 3.536 0.810 -5.490 1.00 30.33 H new ATOM 1169 N MET B 125 0.092 -2.679 -9.928 1.00 15.42 N ATOM 1170 CA MET B 125 -0.104 -3.229 -11.285 1.00 54.54 C ATOM 1171 C MET B 125 -1.493 -2.842 -11.843 1.00 30.30 C ATOM 1172 O MET B 125 -1.622 -2.550 -13.039 1.00 60.24 O ATOM 1173 CB MET B 125 0.057 -4.775 -11.271 1.00 41.14 C ATOM 1174 CG MET B 125 1.449 -5.301 -10.843 1.00 33.11 C ATOM 1175 SD MET B 125 2.593 -5.595 -12.226 1.00 10.12 S ATOM 1176 CE MET B 125 3.017 -3.944 -12.788 1.00 63.03 C ATOM 0 H MET B 125 0.117 -3.391 -9.198 1.00 15.42 H new ATOM 0 HA MET B 125 0.658 -2.801 -11.937 1.00 54.54 H new ATOM 0 HB2 MET B 125 -0.692 -5.194 -10.599 1.00 41.14 H new ATOM 0 HB3 MET B 125 -0.163 -5.154 -12.269 1.00 41.14 H new ATOM 0 HG2 MET B 125 1.901 -4.583 -10.158 1.00 33.11 H new ATOM 0 HG3 MET B 125 1.319 -6.231 -10.290 1.00 33.11 H new ATOM 0 HE1 MET B 125 3.979 -3.970 -13.299 1.00 63.03 H new ATOM 0 HE2 MET B 125 2.250 -3.585 -13.475 1.00 63.03 H new ATOM 0 HE3 MET B 125 3.079 -3.273 -11.931 1.00 63.03 H new ATOM 1186 N GLU B 126 -2.520 -2.857 -10.961 1.00 41.34 N ATOM 1187 CA GLU B 126 -3.889 -2.410 -11.299 1.00 65.03 C ATOM 1188 C GLU B 126 -3.863 -0.921 -11.697 1.00 33.55 C ATOM 1189 O GLU B 126 -4.491 -0.510 -12.672 1.00 51.33 O ATOM 1190 CB GLU B 126 -4.857 -2.599 -10.095 1.00 3.30 C ATOM 1191 CG GLU B 126 -4.970 -4.016 -9.539 1.00 54.41 C ATOM 1192 CD GLU B 126 -6.004 -4.149 -8.406 1.00 10.54 C ATOM 1193 OE1 GLU B 126 -7.211 -4.318 -8.702 1.00 64.01 O ATOM 1194 OE2 GLU B 126 -5.631 -4.075 -7.214 1.00 64.43 O ATOM 0 H GLU B 126 -2.422 -3.179 -9.998 1.00 41.34 H new ATOM 0 HA GLU B 126 -4.247 -3.016 -12.131 1.00 65.03 H new ATOM 0 HB2 GLU B 126 -4.535 -1.939 -9.289 1.00 3.30 H new ATOM 0 HB3 GLU B 126 -5.851 -2.270 -10.399 1.00 3.30 H new ATOM 0 HG2 GLU B 126 -5.239 -4.695 -10.348 1.00 54.41 H new ATOM 0 HG3 GLU B 126 -3.995 -4.332 -9.169 1.00 54.41 H new ATOM 1201 N LEU B 127 -3.128 -0.133 -10.894 1.00 42.45 N ATOM 1202 CA LEU B 127 -2.926 1.312 -11.103 1.00 73.34 C ATOM 1203 C LEU B 127 -2.181 1.578 -12.435 1.00 41.33 C ATOM 1204 O LEU B 127 -2.526 2.514 -13.167 1.00 1.34 O ATOM 1205 CB LEU B 127 -2.130 1.886 -9.903 1.00 25.15 C ATOM 1206 CG LEU B 127 -1.809 3.413 -9.938 1.00 3.41 C ATOM 1207 CD1 LEU B 127 -3.086 4.267 -9.767 1.00 52.53 C ATOM 1208 CD2 LEU B 127 -0.731 3.771 -8.893 1.00 12.01 C ATOM 0 H LEU B 127 -2.649 -0.488 -10.067 1.00 42.45 H new ATOM 0 HA LEU B 127 -3.895 1.807 -11.166 1.00 73.34 H new ATOM 0 HB2 LEU B 127 -2.691 1.678 -8.992 1.00 25.15 H new ATOM 0 HB3 LEU B 127 -1.188 1.342 -9.829 1.00 25.15 H new ATOM 0 HG LEU B 127 -1.404 3.649 -10.922 1.00 3.41 H new ATOM 0 HD11 LEU B 127 -2.823 5.324 -9.797 1.00 52.53 H new ATOM 0 HD12 LEU B 127 -3.784 4.044 -10.574 1.00 52.53 H new ATOM 0 HD13 LEU B 127 -3.553 4.036 -8.810 1.00 52.53 H new ATOM 0 HD21 LEU B 127 -0.524 4.840 -8.936 1.00 12.01 H new ATOM 0 HD22 LEU B 127 -1.089 3.510 -7.897 1.00 12.01 H new ATOM 0 HD23 LEU B 127 0.182 3.216 -9.107 1.00 12.01 H new ATOM 1220 N THR B 128 -1.179 0.719 -12.734 1.00 53.42 N ATOM 1221 CA THR B 128 -0.390 0.770 -13.983 1.00 45.52 C ATOM 1222 C THR B 128 -1.292 0.485 -15.202 1.00 15.22 C ATOM 1223 O THR B 128 -1.127 1.085 -16.272 1.00 31.32 O ATOM 1224 CB THR B 128 0.798 -0.266 -13.928 1.00 30.14 C ATOM 1225 OG1 THR B 128 1.697 0.074 -12.855 1.00 45.22 O ATOM 1226 CG2 THR B 128 1.605 -0.340 -15.235 1.00 52.44 C ATOM 0 H THR B 128 -0.894 -0.035 -12.108 1.00 53.42 H new ATOM 0 HA THR B 128 0.027 1.772 -14.086 1.00 45.52 H new ATOM 0 HB THR B 128 0.341 -1.242 -13.766 1.00 30.14 H new ATOM 0 HG1 THR B 128 1.260 -0.098 -11.995 1.00 45.22 H new ATOM 0 HG21 THR B 128 2.406 -1.071 -15.127 1.00 52.44 H new ATOM 0 HG22 THR B 128 0.948 -0.639 -16.052 1.00 52.44 H new ATOM 0 HG23 THR B 128 2.034 0.638 -15.454 1.00 52.44 H new ATOM 1234 N ASP B 129 -2.261 -0.421 -14.998 1.00 2.11 N ATOM 1235 CA ASP B 129 -3.244 -0.805 -16.016 1.00 31.13 C ATOM 1236 C ASP B 129 -4.153 0.394 -16.361 1.00 0.30 C ATOM 1237 O ASP B 129 -4.366 0.696 -17.534 1.00 34.04 O ATOM 1238 CB ASP B 129 -4.082 -2.006 -15.502 1.00 23.24 C ATOM 1239 CG ASP B 129 -5.149 -2.472 -16.502 1.00 72.31 C ATOM 1240 OD1 ASP B 129 -4.823 -3.281 -17.394 1.00 65.31 O ATOM 1241 OD2 ASP B 129 -6.313 -2.035 -16.401 1.00 74.41 O ATOM 0 H ASP B 129 -2.383 -0.911 -14.112 1.00 2.11 H new ATOM 0 HA ASP B 129 -2.724 -1.105 -16.926 1.00 31.13 H new ATOM 0 HB2 ASP B 129 -3.414 -2.838 -15.280 1.00 23.24 H new ATOM 0 HB3 ASP B 129 -4.567 -1.728 -14.566 1.00 23.24 H new ATOM 1246 N LEU B 130 -4.650 1.086 -15.314 1.00 33.12 N ATOM 1247 CA LEU B 130 -5.562 2.242 -15.464 1.00 11.25 C ATOM 1248 C LEU B 130 -4.839 3.460 -16.058 1.00 33.42 C ATOM 1249 O LEU B 130 -5.444 4.242 -16.794 1.00 1.12 O ATOM 1250 CB LEU B 130 -6.185 2.637 -14.100 1.00 4.20 C ATOM 1251 CG LEU B 130 -6.980 1.530 -13.351 1.00 63.41 C ATOM 1252 CD1 LEU B 130 -7.611 2.088 -12.076 1.00 72.11 C ATOM 1253 CD2 LEU B 130 -8.039 0.867 -14.253 1.00 41.12 C ATOM 0 H LEU B 130 -4.432 0.861 -14.343 1.00 33.12 H new ATOM 0 HA LEU B 130 -6.352 1.935 -16.149 1.00 11.25 H new ATOM 0 HB2 LEU B 130 -5.384 2.982 -13.447 1.00 4.20 H new ATOM 0 HB3 LEU B 130 -6.851 3.484 -14.262 1.00 4.20 H new ATOM 0 HG LEU B 130 -6.271 0.751 -13.071 1.00 63.41 H new ATOM 0 HD11 LEU B 130 -8.163 1.298 -11.567 1.00 72.11 H new ATOM 0 HD12 LEU B 130 -6.828 2.466 -11.418 1.00 72.11 H new ATOM 0 HD13 LEU B 130 -8.293 2.899 -12.332 1.00 72.11 H new ATOM 0 HD21 LEU B 130 -8.570 0.100 -13.688 1.00 41.12 H new ATOM 0 HD22 LEU B 130 -8.748 1.621 -14.596 1.00 41.12 H new ATOM 0 HD23 LEU B 130 -7.550 0.410 -15.113 1.00 41.12 H new ATOM 1265 N LYS B 131 -3.543 3.618 -15.709 1.00 53.01 N ATOM 1266 CA LYS B 131 -2.718 4.747 -16.179 1.00 53.22 C ATOM 1267 C LYS B 131 -2.394 4.545 -17.677 1.00 75.13 C ATOM 1268 O LYS B 131 -2.303 5.516 -18.439 1.00 33.00 O ATOM 1269 CB LYS B 131 -1.433 4.909 -15.272 1.00 61.34 C ATOM 1270 CG LYS B 131 -0.093 4.302 -15.804 1.00 24.53 C ATOM 1271 CD LYS B 131 0.749 5.339 -16.589 1.00 54.23 C ATOM 1272 CE LYS B 131 1.994 4.750 -17.261 1.00 63.44 C ATOM 1273 NZ LYS B 131 1.637 3.826 -18.360 1.00 62.14 N ATOM 0 H LYS B 131 -3.045 2.971 -15.098 1.00 53.01 H new ATOM 0 HA LYS B 131 -3.265 5.685 -16.088 1.00 53.22 H new ATOM 0 HB2 LYS B 131 -1.275 5.974 -15.099 1.00 61.34 H new ATOM 0 HB3 LYS B 131 -1.646 4.457 -14.303 1.00 61.34 H new ATOM 0 HG2 LYS B 131 0.491 3.923 -14.965 1.00 24.53 H new ATOM 0 HG3 LYS B 131 -0.312 3.451 -16.449 1.00 24.53 H new ATOM 0 HD2 LYS B 131 0.121 5.800 -17.351 1.00 54.23 H new ATOM 0 HD3 LYS B 131 1.057 6.132 -15.908 1.00 54.23 H new ATOM 0 HE2 LYS B 131 2.613 5.558 -17.651 1.00 63.44 H new ATOM 0 HE3 LYS B 131 2.592 4.220 -16.519 1.00 63.44 H new ATOM 0 HZ1 LYS B 131 2.501 3.526 -18.856 1.00 62.14 H new ATOM 0 HZ2 LYS B 131 1.155 2.991 -17.969 1.00 62.14 H new ATOM 0 HZ3 LYS B 131 1.004 4.310 -19.029 1.00 62.14 H new ATOM 1287 N LEU B 132 -2.249 3.257 -18.076 1.00 23.31 N ATOM 1288 CA LEU B 132 -2.086 2.853 -19.482 1.00 34.04 C ATOM 1289 C LEU B 132 -3.364 3.191 -20.258 1.00 33.14 C ATOM 1290 O LEU B 132 -3.311 3.805 -21.321 1.00 13.13 O ATOM 1291 CB LEU B 132 -1.791 1.334 -19.585 1.00 24.22 C ATOM 1292 CG LEU B 132 -1.525 0.780 -21.024 1.00 42.42 C ATOM 1293 CD1 LEU B 132 -0.283 1.433 -21.669 1.00 72.23 C ATOM 1294 CD2 LEU B 132 -1.412 -0.760 -21.024 1.00 73.45 C ATOM 0 H LEU B 132 -2.243 2.472 -17.425 1.00 23.31 H new ATOM 0 HA LEU B 132 -1.243 3.395 -19.910 1.00 34.04 H new ATOM 0 HB2 LEU B 132 -0.922 1.110 -18.965 1.00 24.22 H new ATOM 0 HB3 LEU B 132 -2.635 0.791 -19.159 1.00 24.22 H new ATOM 0 HG LEU B 132 -2.387 1.048 -21.635 1.00 42.42 H new ATOM 0 HD11 LEU B 132 -0.133 1.021 -22.667 1.00 72.23 H new ATOM 0 HD12 LEU B 132 -0.434 2.510 -21.740 1.00 72.23 H new ATOM 0 HD13 LEU B 132 0.595 1.229 -21.056 1.00 72.23 H new ATOM 0 HD21 LEU B 132 -1.227 -1.111 -22.039 1.00 73.45 H new ATOM 0 HD22 LEU B 132 -0.588 -1.064 -20.379 1.00 73.45 H new ATOM 0 HD23 LEU B 132 -2.341 -1.193 -20.654 1.00 73.45 H new ATOM 1306 N GLN B 133 -4.515 2.809 -19.678 1.00 31.12 N ATOM 1307 CA GLN B 133 -5.834 3.085 -20.260 1.00 64.12 C ATOM 1308 C GLN B 133 -6.107 4.598 -20.336 1.00 43.25 C ATOM 1309 O GLN B 133 -6.850 5.038 -21.197 1.00 14.43 O ATOM 1310 CB GLN B 133 -6.955 2.399 -19.435 1.00 72.13 C ATOM 1311 CG GLN B 133 -6.935 0.867 -19.436 1.00 40.22 C ATOM 1312 CD GLN B 133 -8.127 0.263 -18.694 1.00 41.11 C ATOM 1313 OE1 GLN B 133 -7.985 0.043 -17.402 1.00 33.40 O flip ATOM 1314 NE2 GLN B 133 -9.176 0.006 -19.280 1.00 14.51 N flip ATOM 0 H GLN B 133 -4.554 2.301 -18.794 1.00 31.12 H new ATOM 0 HA GLN B 133 -5.833 2.679 -21.272 1.00 64.12 H new ATOM 0 HB2 GLN B 133 -6.886 2.745 -18.404 1.00 72.13 H new ATOM 0 HB3 GLN B 133 -7.919 2.732 -19.819 1.00 72.13 H new ATOM 0 HG2 GLN B 133 -6.933 0.508 -20.465 1.00 40.22 H new ATOM 0 HG3 GLN B 133 -6.011 0.519 -18.975 1.00 40.22 H new ATOM 0 HE21 GLN B 133 -9.259 0.186 -20.281 1.00 14.51 H new ATOM 0 HE22 GLN B 133 -9.964 -0.388 -18.766 1.00 14.51 H new ATOM 1323 N LEU B 134 -5.507 5.367 -19.409 1.00 75.10 N ATOM 1324 CA LEU B 134 -5.689 6.831 -19.314 1.00 4.14 C ATOM 1325 C LEU B 134 -5.070 7.523 -20.545 1.00 35.22 C ATOM 1326 O LEU B 134 -5.726 8.316 -21.255 1.00 44.11 O ATOM 1327 CB LEU B 134 -5.041 7.341 -17.991 1.00 52.45 C ATOM 1328 CG LEU B 134 -5.388 8.797 -17.558 1.00 53.13 C ATOM 1329 CD1 LEU B 134 -6.900 8.950 -17.329 1.00 45.43 C ATOM 1330 CD2 LEU B 134 -4.593 9.218 -16.301 1.00 51.15 C ATOM 0 H LEU B 134 -4.878 4.990 -18.700 1.00 75.10 H new ATOM 0 HA LEU B 134 -6.752 7.073 -19.298 1.00 4.14 H new ATOM 0 HB2 LEU B 134 -5.335 6.667 -17.186 1.00 52.45 H new ATOM 0 HB3 LEU B 134 -3.958 7.265 -18.091 1.00 52.45 H new ATOM 0 HG LEU B 134 -5.095 9.464 -18.369 1.00 53.13 H new ATOM 0 HD11 LEU B 134 -7.121 9.974 -17.027 1.00 45.43 H new ATOM 0 HD12 LEU B 134 -7.433 8.721 -18.252 1.00 45.43 H new ATOM 0 HD13 LEU B 134 -7.221 8.264 -16.545 1.00 45.43 H new ATOM 0 HD21 LEU B 134 -4.860 10.239 -16.027 1.00 51.15 H new ATOM 0 HD22 LEU B 134 -4.833 8.546 -15.477 1.00 51.15 H new ATOM 0 HD23 LEU B 134 -3.525 9.166 -16.512 1.00 51.15 H new