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 Set 1.1: A 24 ASN :FLIP amide:sc= -2.02! C(o=-4!,f=-1.3!) USER MOD Set 1.2: B 123 THR OG1 : rot 74:sc= 0.681 USER MOD Set 2.1: B 113 ASN : amide:sc= 0.477 K(o=1.1,f=-3.7!) USER MOD Set 2.2: B 117 LYS NZ :NH3+ -152:sc= 0.618 (180deg=0.284) USER MOD Single : A 3 LYS NZ :NH3+ 174:sc= -0.244 (180deg=-0.283) 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= 0.209 X(o=0.21,f=-0.18) USER MOD Single : A 13 ASN :FLIP amide:sc= 0 F(o=-0.97,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -3.92 X(o=-3.9,f=-4.3!) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 80:sc= 1.16 USER MOD Single : A 25 MET CE :methyl 147:sc= -0.137 (180deg=-1.68!) USER MOD Single : A 28 THR OG1 : rot 69:sc= 0.956 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -1.5 X(o=-1.5,f=-1) USER MOD Single : B 103 LYS NZ :NH3+ 169:sc= -0.903 (180deg=-1.22) 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= -0.25 X(o=-0.25,f=-0.03) USER MOD Single : B 115 LYS NZ :NH3+ 149:sc= 0.584 (180deg=0.0409) USER MOD Single : B 119 GLN :FLIP amide:sc= -1.8 F(o=-2.8,f=-1.8) USER MOD Single : B 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 124 ASN :FLIP amide:sc= -0.916 F(o=-3.1!,f=-0.92) USER MOD Single : B 125 MET CE :methyl -140:sc= -0.135 (180deg=-0.892) USER MOD Single : B 128 THR OG1 : rot 73:sc= 0.554 USER MOD Single : B 131 LYS NZ :NH3+ 149:sc= -0.0327 (180deg=-1.18) USER MOD Single : B 133 GLN :FLIP amide:sc= -0.924 F(o=-3.8!,f=-0.92) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 3 10.765 -6.718 22.727 1.00 43.31 N ATOM 36 CA LYS A 3 9.874 -5.545 22.667 1.00 32.41 C ATOM 37 C LYS A 3 10.093 -4.798 21.339 1.00 65.45 C ATOM 38 O LYS A 3 9.136 -4.429 20.653 1.00 41.11 O ATOM 39 CB LYS A 3 10.060 -4.586 23.895 1.00 50.24 C ATOM 40 CG LYS A 3 11.310 -3.654 23.888 1.00 24.13 C ATOM 41 CD LYS A 3 12.662 -4.374 24.173 1.00 4.30 C ATOM 42 CE LYS A 3 13.030 -4.420 25.674 1.00 30.14 C ATOM 43 NZ LYS A 3 11.974 -5.024 26.534 1.00 72.11 N ATOM 0 HA LYS A 3 8.845 -5.903 22.714 1.00 32.41 H new ATOM 0 HB2 LYS A 3 9.172 -3.959 23.972 1.00 50.24 H new ATOM 0 HB3 LYS A 3 10.099 -5.196 24.797 1.00 50.24 H new ATOM 0 HG2 LYS A 3 11.374 -3.162 22.917 1.00 24.13 H new ATOM 0 HG3 LYS A 3 11.167 -2.872 24.633 1.00 24.13 H new ATOM 0 HD2 LYS A 3 12.611 -5.392 23.788 1.00 4.30 H new ATOM 0 HD3 LYS A 3 13.457 -3.866 23.627 1.00 4.30 H new ATOM 0 HE2 LYS A 3 13.953 -4.988 25.795 1.00 30.14 H new ATOM 0 HE3 LYS A 3 13.232 -3.406 26.020 1.00 30.14 H new ATOM 0 HZ1 LYS A 3 12.329 -5.114 27.507 1.00 72.11 H new ATOM 0 HZ2 LYS A 3 11.131 -4.415 26.528 1.00 72.11 H new ATOM 0 HZ3 LYS A 3 11.724 -5.965 26.168 1.00 72.11 H new ATOM 57 N LYS A 4 11.377 -4.635 20.962 1.00 24.44 N ATOM 58 CA LYS A 4 11.755 -3.915 19.750 1.00 24.54 C ATOM 59 C LYS A 4 11.626 -4.844 18.537 1.00 55.33 C ATOM 60 O LYS A 4 11.419 -4.355 17.449 1.00 11.12 O ATOM 61 CB LYS A 4 13.191 -3.311 19.872 1.00 41.43 C ATOM 62 CG LYS A 4 14.363 -4.328 19.748 1.00 61.55 C ATOM 63 CD LYS A 4 15.042 -4.337 18.342 1.00 4.35 C ATOM 64 CE LYS A 4 15.777 -5.653 18.050 1.00 72.14 C ATOM 65 NZ LYS A 4 16.551 -5.625 16.777 1.00 63.31 N ATOM 0 H LYS A 4 12.169 -4.999 21.491 1.00 24.44 H new ATOM 0 HA LYS A 4 11.075 -3.074 19.611 1.00 24.54 H new ATOM 0 HB2 LYS A 4 13.312 -2.550 19.101 1.00 41.43 H new ATOM 0 HB3 LYS A 4 13.272 -2.806 20.835 1.00 41.43 H new ATOM 0 HG2 LYS A 4 15.114 -4.096 20.503 1.00 61.55 H new ATOM 0 HG3 LYS A 4 13.989 -5.328 19.967 1.00 61.55 H new ATOM 0 HD2 LYS A 4 14.285 -4.170 17.576 1.00 4.35 H new ATOM 0 HD3 LYS A 4 15.748 -3.509 18.278 1.00 4.35 H new ATOM 0 HE2 LYS A 4 16.455 -5.873 18.875 1.00 72.14 H new ATOM 0 HE3 LYS A 4 15.051 -6.465 18.008 1.00 72.14 H new ATOM 0 HZ1 LYS A 4 17.023 -6.541 16.638 1.00 63.31 H new ATOM 0 HZ2 LYS A 4 15.905 -5.444 15.982 1.00 63.31 H new ATOM 0 HZ3 LYS A 4 17.265 -4.871 16.822 1.00 63.31 H new ATOM 79 N LEU A 5 11.748 -6.193 18.737 1.00 70.21 N ATOM 80 CA LEU A 5 11.564 -7.186 17.640 1.00 41.11 C ATOM 81 C LEU A 5 10.197 -6.974 16.978 1.00 54.05 C ATOM 82 O LEU A 5 10.082 -6.900 15.740 1.00 74.04 O ATOM 83 CB LEU A 5 11.628 -8.652 18.152 1.00 31.10 C ATOM 84 CG LEU A 5 11.665 -9.734 17.022 1.00 75.01 C ATOM 85 CD1 LEU A 5 13.046 -9.771 16.344 1.00 31.42 C ATOM 86 CD2 LEU A 5 11.244 -11.130 17.525 1.00 74.24 C ATOM 0 H LEU A 5 11.971 -6.610 19.641 1.00 70.21 H new ATOM 0 HA LEU A 5 12.377 -7.030 16.931 1.00 41.11 H new ATOM 0 HB2 LEU A 5 12.514 -8.767 18.776 1.00 31.10 H new ATOM 0 HB3 LEU A 5 10.763 -8.839 18.788 1.00 31.10 H new ATOM 0 HG LEU A 5 10.927 -9.442 16.275 1.00 75.01 H new ATOM 0 HD11 LEU A 5 13.047 -10.531 15.562 1.00 31.42 H new ATOM 0 HD12 LEU A 5 13.262 -8.797 15.904 1.00 31.42 H new ATOM 0 HD13 LEU A 5 13.809 -10.011 17.085 1.00 31.42 H new ATOM 0 HD21 LEU A 5 11.288 -11.842 16.701 1.00 74.24 H new ATOM 0 HD22 LEU A 5 11.920 -11.450 18.318 1.00 74.24 H new ATOM 0 HD23 LEU A 5 10.226 -11.085 17.913 1.00 74.24 H new ATOM 98 N TYR A 6 9.174 -6.877 17.859 1.00 25.52 N ATOM 99 CA TYR A 6 7.803 -6.547 17.486 1.00 14.45 C ATOM 100 C TYR A 6 7.778 -5.233 16.698 1.00 73.21 C ATOM 101 O TYR A 6 7.273 -5.190 15.586 1.00 51.32 O ATOM 102 CB TYR A 6 6.921 -6.461 18.769 1.00 24.01 C ATOM 103 CG TYR A 6 5.407 -6.588 18.515 1.00 63.32 C ATOM 104 CD1 TYR A 6 4.747 -7.805 18.731 1.00 44.32 C ATOM 105 CD2 TYR A 6 4.651 -5.519 18.017 1.00 42.20 C ATOM 106 CE1 TYR A 6 3.401 -7.946 18.472 1.00 50.02 C ATOM 107 CE2 TYR A 6 3.299 -5.659 17.765 1.00 12.41 C ATOM 108 CZ TYR A 6 2.684 -6.875 17.985 1.00 31.31 C ATOM 109 OH TYR A 6 1.340 -7.022 17.721 1.00 43.31 O ATOM 0 H TYR A 6 9.293 -7.030 18.860 1.00 25.52 H new ATOM 0 HA TYR A 6 7.396 -7.328 16.844 1.00 14.45 H new ATOM 0 HB2 TYR A 6 7.228 -7.247 19.459 1.00 24.01 H new ATOM 0 HB3 TYR A 6 7.115 -5.510 19.264 1.00 24.01 H new ATOM 0 HD1 TYR A 6 5.305 -8.650 19.108 1.00 44.32 H new ATOM 0 HD2 TYR A 6 5.132 -4.571 17.827 1.00 42.20 H new ATOM 0 HE1 TYR A 6 2.910 -8.892 18.650 1.00 50.02 H new ATOM 0 HE2 TYR A 6 2.726 -4.820 17.397 1.00 12.41 H new ATOM 0 HH TYR A 6 0.978 -6.176 17.384 1.00 43.31 H new ATOM 119 N GLU A 7 8.409 -4.199 17.280 1.00 24.31 N ATOM 120 CA GLU A 7 8.445 -2.842 16.721 1.00 30.12 C ATOM 121 C GLU A 7 9.097 -2.788 15.332 1.00 44.52 C ATOM 122 O GLU A 7 8.670 -2.002 14.508 1.00 33.55 O ATOM 123 CB GLU A 7 9.206 -1.899 17.686 1.00 40.13 C ATOM 124 CG GLU A 7 8.503 -1.642 19.036 1.00 54.00 C ATOM 125 CD GLU A 7 7.089 -1.047 18.892 1.00 44.43 C ATOM 126 OE1 GLU A 7 6.091 -1.780 19.075 1.00 52.21 O ATOM 127 OE2 GLU A 7 6.972 0.154 18.567 1.00 65.11 O ATOM 0 H GLU A 7 8.914 -4.286 18.162 1.00 24.31 H new ATOM 0 HA GLU A 7 7.411 -2.517 16.606 1.00 30.12 H new ATOM 0 HB2 GLU A 7 10.191 -2.322 17.881 1.00 40.13 H new ATOM 0 HB3 GLU A 7 9.363 -0.943 17.187 1.00 40.13 H new ATOM 0 HG2 GLU A 7 8.439 -2.580 19.587 1.00 54.00 H new ATOM 0 HG3 GLU A 7 9.115 -0.964 19.631 1.00 54.00 H new ATOM 134 N GLN A 8 10.141 -3.612 15.098 1.00 5.40 N ATOM 135 CA GLN A 8 10.906 -3.591 13.833 1.00 41.15 C ATOM 136 C GLN A 8 10.017 -3.992 12.657 1.00 13.33 C ATOM 137 O GLN A 8 9.757 -3.166 11.768 1.00 73.14 O ATOM 138 CB GLN A 8 12.187 -4.484 13.896 1.00 52.04 C ATOM 139 CG GLN A 8 13.222 -4.096 14.986 1.00 13.24 C ATOM 140 CD GLN A 8 13.352 -2.579 15.198 1.00 4.43 C ATOM 141 OE1 GLN A 8 14.173 -1.910 14.573 1.00 51.34 O ATOM 142 NE2 GLN A 8 12.523 -2.031 16.074 1.00 41.22 N ATOM 0 H GLN A 8 10.474 -4.302 15.771 1.00 5.40 H new ATOM 0 HA GLN A 8 11.244 -2.566 13.681 1.00 41.15 H new ATOM 0 HB2 GLN A 8 11.880 -5.517 14.063 1.00 52.04 H new ATOM 0 HB3 GLN A 8 12.680 -4.451 12.924 1.00 52.04 H new ATOM 0 HG2 GLN A 8 12.937 -4.563 15.929 1.00 13.24 H new ATOM 0 HG3 GLN A 8 14.196 -4.501 14.711 1.00 13.24 H new ATOM 0 HE21 GLN A 8 11.853 -2.614 16.576 1.00 41.22 H new ATOM 0 HE22 GLN A 8 12.554 -1.026 16.246 1.00 41.22 H new ATOM 151 N ILE A 9 9.524 -5.249 12.662 1.00 21.24 N ATOM 152 CA ILE A 9 8.631 -5.721 11.590 1.00 22.24 C ATOM 153 C ILE A 9 7.329 -4.879 11.526 1.00 31.11 C ATOM 154 O ILE A 9 6.882 -4.543 10.430 1.00 24.33 O ATOM 155 CB ILE A 9 8.249 -7.235 11.732 1.00 24.35 C ATOM 156 CG1 ILE A 9 9.490 -8.118 12.039 1.00 12.13 C ATOM 157 CG2 ILE A 9 7.541 -7.729 10.442 1.00 4.24 C ATOM 158 CD1 ILE A 9 9.154 -9.585 12.216 1.00 32.11 C ATOM 0 H ILE A 9 9.726 -5.941 13.383 1.00 21.24 H new ATOM 0 HA ILE A 9 9.197 -5.599 10.667 1.00 22.24 H new ATOM 0 HB ILE A 9 7.566 -7.327 12.576 1.00 24.35 H new ATOM 0 HG12 ILE A 9 10.211 -8.013 11.228 1.00 12.13 H new ATOM 0 HG13 ILE A 9 9.973 -7.751 12.945 1.00 12.13 H new ATOM 0 HG21 ILE A 9 7.280 -8.782 10.551 1.00 4.24 H new ATOM 0 HG22 ILE A 9 6.635 -7.145 10.278 1.00 4.24 H new ATOM 0 HG23 ILE A 9 8.210 -7.607 9.590 1.00 4.24 H new ATOM 0 HD11 ILE A 9 10.065 -10.144 12.428 1.00 32.11 H new ATOM 0 HD12 ILE A 9 8.456 -9.701 13.045 1.00 32.11 H new ATOM 0 HD13 ILE A 9 8.698 -9.967 11.302 1.00 32.11 H new ATOM 170 N LEU A 10 6.755 -4.534 12.707 1.00 3.21 N ATOM 171 CA LEU A 10 5.473 -3.780 12.805 1.00 72.12 C ATOM 172 C LEU A 10 5.637 -2.345 12.250 1.00 21.14 C ATOM 173 O LEU A 10 4.688 -1.790 11.711 1.00 53.31 O ATOM 174 CB LEU A 10 4.929 -3.770 14.283 1.00 65.45 C ATOM 175 CG LEU A 10 3.370 -3.656 14.518 1.00 42.53 C ATOM 176 CD1 LEU A 10 2.778 -2.286 14.128 1.00 70.51 C ATOM 177 CD2 LEU A 10 2.615 -4.806 13.816 1.00 3.32 C ATOM 0 H LEU A 10 7.162 -4.767 13.613 1.00 3.21 H new ATOM 0 HA LEU A 10 4.732 -4.291 12.191 1.00 72.12 H new ATOM 0 HB2 LEU A 10 5.270 -4.685 14.767 1.00 65.45 H new ATOM 0 HB3 LEU A 10 5.403 -2.938 14.804 1.00 65.45 H new ATOM 0 HG LEU A 10 3.227 -3.746 15.595 1.00 42.53 H new ATOM 0 HD11 LEU A 10 1.705 -2.286 14.318 1.00 70.51 H new ATOM 0 HD12 LEU A 10 3.251 -1.503 14.720 1.00 70.51 H new ATOM 0 HD13 LEU A 10 2.959 -2.099 13.069 1.00 70.51 H new ATOM 0 HD21 LEU A 10 1.545 -4.701 13.995 1.00 3.32 H new ATOM 0 HD22 LEU A 10 2.809 -4.768 12.744 1.00 3.32 H new ATOM 0 HD23 LEU A 10 2.958 -5.762 14.213 1.00 3.32 H new ATOM 189 N ALA A 11 6.855 -1.767 12.362 1.00 74.50 N ATOM 190 CA ALA A 11 7.143 -0.406 11.851 1.00 22.45 C ATOM 191 C ALA A 11 6.982 -0.360 10.324 1.00 43.14 C ATOM 192 O ALA A 11 6.279 0.513 9.793 1.00 5.12 O ATOM 193 CB ALA A 11 8.550 0.061 12.255 1.00 65.42 C ATOM 0 H ALA A 11 7.655 -2.222 12.802 1.00 74.50 H new ATOM 0 HA ALA A 11 6.423 0.277 12.302 1.00 22.45 H new ATOM 0 HB1 ALA A 11 8.727 1.063 11.864 1.00 65.42 H new ATOM 0 HB2 ALA A 11 8.630 0.077 13.342 1.00 65.42 H new ATOM 0 HB3 ALA A 11 9.292 -0.625 11.847 1.00 65.42 H new ATOM 199 N GLU A 12 7.635 -1.316 9.626 1.00 51.41 N ATOM 200 CA GLU A 12 7.512 -1.439 8.166 1.00 54.23 C ATOM 201 C GLU A 12 6.088 -1.878 7.795 1.00 33.24 C ATOM 202 O GLU A 12 5.530 -1.378 6.841 1.00 50.33 O ATOM 203 CB GLU A 12 8.552 -2.430 7.583 1.00 23.11 C ATOM 204 CG GLU A 12 8.544 -2.489 6.036 1.00 62.31 C ATOM 205 CD GLU A 12 9.548 -3.489 5.452 1.00 4.15 C ATOM 206 OE1 GLU A 12 9.153 -4.630 5.139 1.00 12.13 O ATOM 207 OE2 GLU A 12 10.739 -3.144 5.318 1.00 61.34 O ATOM 0 H GLU A 12 8.249 -2.009 10.054 1.00 51.41 H new ATOM 0 HA GLU A 12 7.713 -0.461 7.730 1.00 54.23 H new ATOM 0 HB2 GLU A 12 9.547 -2.143 7.923 1.00 23.11 H new ATOM 0 HB3 GLU A 12 8.355 -3.426 7.978 1.00 23.11 H new ATOM 0 HG2 GLU A 12 7.542 -2.753 5.697 1.00 62.31 H new ATOM 0 HG3 GLU A 12 8.763 -1.496 5.642 1.00 62.31 H new ATOM 214 N ASN A 13 5.509 -2.778 8.614 1.00 4.32 N ATOM 215 CA ASN A 13 4.145 -3.333 8.425 1.00 30.42 C ATOM 216 C ASN A 13 3.083 -2.206 8.449 1.00 44.15 C ATOM 217 O ASN A 13 2.106 -2.235 7.694 1.00 53.13 O ATOM 218 CB ASN A 13 3.857 -4.369 9.549 1.00 14.50 C ATOM 219 CG ASN A 13 2.611 -5.224 9.325 1.00 34.13 C ATOM 220 OD1 ASN A 13 2.788 -6.413 8.769 1.00 63.40 O flip ATOM 221 ND2 ASN A 13 1.500 -4.836 9.672 1.00 40.03 N flip ATOM 0 H ASN A 13 5.979 -3.149 9.440 1.00 4.32 H new ATOM 0 HA ASN A 13 4.091 -3.822 7.453 1.00 30.42 H new ATOM 0 HB2 ASN A 13 4.720 -5.027 9.647 1.00 14.50 H new ATOM 0 HB3 ASN A 13 3.752 -3.838 10.495 1.00 14.50 H new ATOM 0 HD21 ASN A 13 1.391 -3.916 10.098 1.00 40.03 H new ATOM 0 HD22 ASN A 13 0.685 -5.434 9.535 1.00 40.03 H new ATOM 228 N GLU A 14 3.315 -1.219 9.335 1.00 43.24 N ATOM 229 CA GLU A 14 2.489 -0.009 9.468 1.00 44.24 C ATOM 230 C GLU A 14 2.594 0.836 8.196 1.00 14.32 C ATOM 231 O GLU A 14 1.570 1.254 7.631 1.00 74.32 O ATOM 232 CB GLU A 14 2.921 0.807 10.733 1.00 32.43 C ATOM 233 CG GLU A 14 2.755 2.342 10.608 1.00 23.33 C ATOM 234 CD GLU A 14 2.794 3.088 11.946 1.00 1.34 C ATOM 235 OE1 GLU A 14 1.717 3.454 12.466 1.00 51.34 O ATOM 236 OE2 GLU A 14 3.892 3.302 12.488 1.00 12.12 O ATOM 0 H GLU A 14 4.097 -1.243 9.990 1.00 43.24 H new ATOM 0 HA GLU A 14 1.446 -0.297 9.599 1.00 44.24 H new ATOM 0 HB2 GLU A 14 2.338 0.462 11.587 1.00 32.43 H new ATOM 0 HB3 GLU A 14 3.966 0.586 10.950 1.00 32.43 H new ATOM 0 HG2 GLU A 14 3.545 2.731 9.965 1.00 23.33 H new ATOM 0 HG3 GLU A 14 1.807 2.555 10.113 1.00 23.33 H new ATOM 243 N LYS A 15 3.851 1.080 7.770 1.00 11.52 N ATOM 244 CA LYS A 15 4.150 1.811 6.540 1.00 24.12 C ATOM 245 C LYS A 15 3.444 1.142 5.354 1.00 1.22 C ATOM 246 O LYS A 15 2.856 1.819 4.540 1.00 74.31 O ATOM 247 CB LYS A 15 5.680 1.851 6.263 1.00 11.11 C ATOM 248 CG LYS A 15 6.091 2.645 4.979 1.00 55.02 C ATOM 249 CD LYS A 15 7.299 2.025 4.229 1.00 5.11 C ATOM 250 CE LYS A 15 6.964 0.652 3.606 1.00 11.31 C ATOM 251 NZ LYS A 15 8.106 0.084 2.839 1.00 2.24 N ATOM 0 H LYS A 15 4.681 0.772 8.276 1.00 11.52 H new ATOM 0 HA LYS A 15 3.792 2.833 6.663 1.00 24.12 H new ATOM 0 HB2 LYS A 15 6.180 2.295 7.124 1.00 11.11 H new ATOM 0 HB3 LYS A 15 6.046 0.828 6.174 1.00 11.11 H new ATOM 0 HG2 LYS A 15 5.238 2.692 4.302 1.00 55.02 H new ATOM 0 HG3 LYS A 15 6.334 3.670 5.258 1.00 55.02 H new ATOM 0 HD2 LYS A 15 7.625 2.707 3.444 1.00 5.11 H new ATOM 0 HD3 LYS A 15 8.134 1.913 4.921 1.00 5.11 H new ATOM 0 HE2 LYS A 15 6.679 -0.043 4.396 1.00 11.31 H new ATOM 0 HE3 LYS A 15 6.102 0.756 2.946 1.00 11.31 H new ATOM 0 HZ1 LYS A 15 7.833 -0.837 2.440 1.00 2.24 H new ATOM 0 HZ2 LYS A 15 8.363 0.733 2.068 1.00 2.24 H new ATOM 0 HZ3 LYS A 15 8.921 -0.041 3.472 1.00 2.24 H new ATOM 265 N LEU A 16 3.476 -0.210 5.329 1.00 40.41 N ATOM 266 CA LEU A 16 2.921 -1.041 4.245 1.00 3.42 C ATOM 267 C LEU A 16 1.401 -0.913 4.170 1.00 51.13 C ATOM 268 O LEU A 16 0.830 -0.898 3.082 1.00 42.34 O ATOM 269 CB LEU A 16 3.324 -2.520 4.431 1.00 64.23 C ATOM 270 CG LEU A 16 4.831 -2.839 4.248 1.00 31.33 C ATOM 271 CD1 LEU A 16 5.151 -4.283 4.660 1.00 31.51 C ATOM 272 CD2 LEU A 16 5.286 -2.555 2.810 1.00 24.31 C ATOM 0 H LEU A 16 3.897 -0.761 6.077 1.00 40.41 H new ATOM 0 HA LEU A 16 3.338 -0.679 3.305 1.00 3.42 H new ATOM 0 HB2 LEU A 16 3.024 -2.835 5.430 1.00 64.23 H new ATOM 0 HB3 LEU A 16 2.756 -3.123 3.723 1.00 64.23 H new ATOM 0 HG LEU A 16 5.392 -2.178 4.910 1.00 31.33 H new ATOM 0 HD11 LEU A 16 6.215 -4.474 4.520 1.00 31.51 H new ATOM 0 HD12 LEU A 16 4.891 -4.428 5.709 1.00 31.51 H new ATOM 0 HD13 LEU A 16 4.574 -4.973 4.045 1.00 31.51 H new ATOM 0 HD21 LEU A 16 6.346 -2.788 2.711 1.00 24.31 H new ATOM 0 HD22 LEU A 16 4.713 -3.173 2.118 1.00 24.31 H new ATOM 0 HD23 LEU A 16 5.122 -1.503 2.578 1.00 24.31 H new ATOM 284 N LYS A 17 0.766 -0.810 5.342 1.00 72.00 N ATOM 285 CA LYS A 17 -0.676 -0.599 5.454 1.00 23.25 C ATOM 286 C LYS A 17 -1.042 0.799 4.902 1.00 41.11 C ATOM 287 O LYS A 17 -2.067 0.975 4.237 1.00 61.11 O ATOM 288 CB LYS A 17 -1.086 -0.807 6.946 1.00 2.33 C ATOM 289 CG LYS A 17 -2.604 -0.718 7.290 1.00 4.42 C ATOM 290 CD LYS A 17 -3.143 0.727 7.453 1.00 13.00 C ATOM 291 CE LYS A 17 -2.276 1.587 8.392 1.00 3.25 C ATOM 292 NZ LYS A 17 -2.897 2.903 8.670 1.00 73.13 N ATOM 0 H LYS A 17 1.242 -0.871 6.242 1.00 72.00 H new ATOM 0 HA LYS A 17 -1.235 -1.318 4.855 1.00 23.25 H new ATOM 0 HB2 LYS A 17 -0.726 -1.786 7.261 1.00 2.33 H new ATOM 0 HB3 LYS A 17 -0.560 -0.065 7.547 1.00 2.33 H new ATOM 0 HG2 LYS A 17 -3.171 -1.217 6.505 1.00 4.42 H new ATOM 0 HG3 LYS A 17 -2.787 -1.267 8.214 1.00 4.42 H new ATOM 0 HD2 LYS A 17 -3.192 1.204 6.474 1.00 13.00 H new ATOM 0 HD3 LYS A 17 -4.161 0.688 7.840 1.00 13.00 H new ATOM 0 HE2 LYS A 17 -2.120 1.054 9.330 1.00 3.25 H new ATOM 0 HE3 LYS A 17 -1.294 1.737 7.943 1.00 3.25 H new ATOM 0 HZ1 LYS A 17 -2.282 3.450 9.305 1.00 73.13 H new ATOM 0 HZ2 LYS A 17 -3.023 3.423 7.778 1.00 73.13 H new ATOM 0 HZ3 LYS A 17 -3.823 2.761 9.122 1.00 73.13 H new ATOM 306 N ALA A 18 -0.149 1.771 5.153 1.00 44.15 N ATOM 307 CA ALA A 18 -0.365 3.181 4.804 1.00 5.25 C ATOM 308 C ALA A 18 -0.212 3.406 3.284 1.00 22.44 C ATOM 309 O ALA A 18 -1.100 3.964 2.646 1.00 20.43 O ATOM 310 CB ALA A 18 0.612 4.050 5.606 1.00 3.51 C ATOM 0 H ALA A 18 0.748 1.597 5.607 1.00 44.15 H new ATOM 0 HA ALA A 18 -1.385 3.467 5.062 1.00 5.25 H new ATOM 0 HB1 ALA A 18 0.458 5.099 5.353 1.00 3.51 H new ATOM 0 HB2 ALA A 18 0.437 3.905 6.672 1.00 3.51 H new ATOM 0 HB3 ALA A 18 1.636 3.765 5.364 1.00 3.51 H new ATOM 316 N GLN A 19 0.915 2.924 2.716 1.00 43.35 N ATOM 317 CA GLN A 19 1.239 3.072 1.284 1.00 12.11 C ATOM 318 C GLN A 19 0.280 2.287 0.396 1.00 32.45 C ATOM 319 O GLN A 19 -0.023 2.728 -0.713 1.00 31.21 O ATOM 320 CB GLN A 19 2.706 2.641 1.013 1.00 43.33 C ATOM 321 CG GLN A 19 3.109 1.261 1.593 1.00 23.44 C ATOM 322 CD GLN A 19 3.178 0.106 0.602 1.00 24.05 C ATOM 323 OE1 GLN A 19 4.184 -0.069 -0.074 1.00 22.34 O ATOM 324 NE2 GLN A 19 2.152 -0.734 0.569 1.00 23.11 N ATOM 0 H GLN A 19 1.628 2.419 3.243 1.00 43.35 H new ATOM 0 HA GLN A 19 1.125 4.126 1.032 1.00 12.11 H new ATOM 0 HB2 GLN A 19 2.870 2.626 -0.065 1.00 43.33 H new ATOM 0 HB3 GLN A 19 3.372 3.399 1.426 1.00 43.33 H new ATOM 0 HG2 GLN A 19 4.084 1.362 2.069 1.00 23.44 H new ATOM 0 HG3 GLN A 19 2.398 0.998 2.376 1.00 23.44 H new ATOM 0 HE21 GLN A 19 1.329 -0.557 1.146 1.00 23.11 H new ATOM 0 HE22 GLN A 19 2.186 -1.557 -0.033 1.00 23.11 H new ATOM 333 N LEU A 20 -0.187 1.116 0.883 1.00 53.12 N ATOM 334 CA LEU A 20 -1.177 0.320 0.147 1.00 12.32 C ATOM 335 C LEU A 20 -2.492 1.090 0.123 1.00 34.12 C ATOM 336 O LEU A 20 -3.133 1.158 -0.909 1.00 23.12 O ATOM 337 CB LEU A 20 -1.347 -1.127 0.745 1.00 72.54 C ATOM 338 CG LEU A 20 -2.466 -1.406 1.833 1.00 35.32 C ATOM 339 CD1 LEU A 20 -3.850 -1.709 1.207 1.00 43.15 C ATOM 340 CD2 LEU A 20 -2.070 -2.551 2.778 1.00 11.21 C ATOM 0 H LEU A 20 0.105 0.710 1.772 1.00 53.12 H new ATOM 0 HA LEU A 20 -0.827 0.168 -0.874 1.00 12.32 H new ATOM 0 HB2 LEU A 20 -1.530 -1.804 -0.090 1.00 72.54 H new ATOM 0 HB3 LEU A 20 -0.390 -1.412 1.183 1.00 72.54 H new ATOM 0 HG LEU A 20 -2.550 -0.483 2.407 1.00 35.32 H new ATOM 0 HD11 LEU A 20 -4.576 -1.892 2.000 1.00 43.15 H new ATOM 0 HD12 LEU A 20 -4.173 -0.857 0.609 1.00 43.15 H new ATOM 0 HD13 LEU A 20 -3.777 -2.592 0.572 1.00 43.15 H new ATOM 0 HD21 LEU A 20 -2.863 -2.711 3.508 1.00 11.21 H new ATOM 0 HD22 LEU A 20 -1.919 -3.463 2.201 1.00 11.21 H new ATOM 0 HD23 LEU A 20 -1.146 -2.292 3.296 1.00 11.21 H new ATOM 352 N HIS A 21 -2.853 1.704 1.278 1.00 41.23 N ATOM 353 CA HIS A 21 -4.088 2.485 1.415 1.00 51.41 C ATOM 354 C HIS A 21 -4.101 3.629 0.394 1.00 14.04 C ATOM 355 O HIS A 21 -5.111 3.856 -0.249 1.00 73.01 O ATOM 356 CB HIS A 21 -4.254 3.020 2.860 1.00 44.34 C ATOM 357 CG HIS A 21 -5.556 3.747 3.110 1.00 43.11 C ATOM 358 ND1 HIS A 21 -6.766 3.092 3.220 1.00 51.53 N ATOM 359 CD2 HIS A 21 -5.838 5.066 3.267 1.00 21.13 C ATOM 360 CE1 HIS A 21 -7.721 3.969 3.435 1.00 32.51 C ATOM 361 NE2 HIS A 21 -7.186 5.170 3.470 1.00 70.33 N ATOM 0 H HIS A 21 -2.294 1.666 2.130 1.00 41.23 H new ATOM 0 HA HIS A 21 -4.937 1.831 1.213 1.00 51.41 H new ATOM 0 HB2 HIS A 21 -4.179 2.184 3.555 1.00 44.34 H new ATOM 0 HB3 HIS A 21 -3.427 3.694 3.082 1.00 44.34 H new ATOM 0 HD2 HIS A 21 -5.130 5.881 3.237 1.00 21.13 H new ATOM 0 HE1 HIS A 21 -8.769 3.742 3.562 1.00 32.51 H new ATOM 0 HE2 HIS A 21 -7.695 6.040 3.624 1.00 70.33 H new ATOM 370 N ASP A 22 -2.938 4.294 0.213 1.00 0.03 N ATOM 371 CA ASP A 22 -2.777 5.354 -0.799 1.00 23.54 C ATOM 372 C ASP A 22 -2.991 4.793 -2.200 1.00 63.11 C ATOM 373 O ASP A 22 -3.877 5.243 -2.908 1.00 2.23 O ATOM 374 CB ASP A 22 -1.378 6.013 -0.729 1.00 14.23 C ATOM 375 CG ASP A 22 -1.097 6.708 0.604 1.00 30.31 C ATOM 376 OD1 ASP A 22 -1.895 7.578 1.014 1.00 4.00 O ATOM 377 OD2 ASP A 22 -0.070 6.411 1.235 1.00 42.31 O ATOM 0 H ASP A 22 -2.096 4.112 0.759 1.00 0.03 H new ATOM 0 HA ASP A 22 -3.528 6.114 -0.584 1.00 23.54 H new ATOM 0 HB2 ASP A 22 -0.617 5.251 -0.900 1.00 14.23 H new ATOM 0 HB3 ASP A 22 -1.287 6.741 -1.535 1.00 14.23 H new ATOM 382 N THR A 23 -2.189 3.771 -2.547 1.00 73.25 N ATOM 383 CA THR A 23 -2.155 3.172 -3.888 1.00 23.14 C ATOM 384 C THR A 23 -3.525 2.570 -4.285 1.00 73.01 C ATOM 385 O THR A 23 -3.888 2.588 -5.455 1.00 3.14 O ATOM 386 CB THR A 23 -1.017 2.094 -3.966 1.00 0.11 C ATOM 387 OG1 THR A 23 0.207 2.662 -3.473 1.00 23.40 O ATOM 388 CG2 THR A 23 -0.772 1.579 -5.395 1.00 43.12 C ATOM 0 H THR A 23 -1.539 3.334 -1.894 1.00 73.25 H new ATOM 0 HA THR A 23 -1.938 3.963 -4.606 1.00 23.14 H new ATOM 0 HB THR A 23 -1.341 1.248 -3.360 1.00 0.11 H new ATOM 0 HG1 THR A 23 0.202 2.650 -2.493 1.00 23.40 H new ATOM 0 HG21 THR A 23 0.026 0.837 -5.382 1.00 43.12 H new ATOM 0 HG22 THR A 23 -1.685 1.124 -5.779 1.00 43.12 H new ATOM 0 HG23 THR A 23 -0.483 2.411 -6.037 1.00 43.12 H new ATOM 396 N ASN A 24 -4.293 2.086 -3.282 1.00 10.51 N ATOM 397 CA ASN A 24 -5.642 1.519 -3.487 1.00 65.22 C ATOM 398 C ASN A 24 -6.642 2.657 -3.760 1.00 34.15 C ATOM 399 O ASN A 24 -7.412 2.591 -4.720 1.00 35.20 O ATOM 400 CB ASN A 24 -6.118 0.670 -2.259 1.00 72.44 C ATOM 401 CG ASN A 24 -5.454 -0.716 -2.103 1.00 4.54 C ATOM 402 OD1 ASN A 24 -4.168 -0.834 -2.386 1.00 21.44 O flip ATOM 403 ND2 ASN A 24 -6.098 -1.679 -1.680 1.00 11.25 N flip ATOM 0 H ASN A 24 -3.993 2.078 -2.307 1.00 10.51 H new ATOM 0 HA ASN A 24 -5.595 0.849 -4.346 1.00 65.22 H new ATOM 0 HB2 ASN A 24 -5.934 1.244 -1.351 1.00 72.44 H new ATOM 0 HB3 ASN A 24 -7.196 0.529 -2.335 1.00 72.44 H new ATOM 0 HD21 ASN A 24 -7.090 -1.575 -1.465 1.00 11.25 H new ATOM 0 HD22 ASN A 24 -5.639 -2.580 -1.545 1.00 11.25 H new ATOM 410 N MET A 25 -6.604 3.704 -2.906 1.00 15.04 N ATOM 411 CA MET A 25 -7.503 4.868 -3.010 1.00 70.13 C ATOM 412 C MET A 25 -7.291 5.644 -4.324 1.00 62.21 C ATOM 413 O MET A 25 -8.259 6.023 -4.977 1.00 14.33 O ATOM 414 CB MET A 25 -7.303 5.813 -1.793 1.00 33.23 C ATOM 415 CG MET A 25 -7.754 5.255 -0.422 1.00 62.24 C ATOM 416 SD MET A 25 -9.512 5.509 -0.052 1.00 34.40 S ATOM 417 CE MET A 25 -10.312 4.173 -0.941 1.00 44.22 C ATOM 0 H MET A 25 -5.949 3.763 -2.127 1.00 15.04 H new ATOM 0 HA MET A 25 -8.526 4.492 -3.011 1.00 70.13 H new ATOM 0 HB2 MET A 25 -6.246 6.071 -1.728 1.00 33.23 H new ATOM 0 HB3 MET A 25 -7.846 6.739 -1.983 1.00 33.23 H new ATOM 0 HG2 MET A 25 -7.539 4.187 -0.389 1.00 62.24 H new ATOM 0 HG3 MET A 25 -7.159 5.724 0.361 1.00 62.24 H new ATOM 0 HE1 MET A 25 -11.195 3.847 -0.391 1.00 44.22 H new ATOM 0 HE2 MET A 25 -10.609 4.521 -1.930 1.00 44.22 H new ATOM 0 HE3 MET A 25 -9.619 3.338 -1.043 1.00 44.22 H new ATOM 427 N GLU A 26 -6.022 5.866 -4.706 1.00 13.31 N ATOM 428 CA GLU A 26 -5.676 6.645 -5.905 1.00 2.44 C ATOM 429 C GLU A 26 -5.849 5.794 -7.171 1.00 52.52 C ATOM 430 O GLU A 26 -5.985 6.344 -8.252 1.00 14.04 O ATOM 431 CB GLU A 26 -4.246 7.228 -5.804 1.00 31.12 C ATOM 432 CG GLU A 26 -3.117 6.192 -5.860 1.00 42.21 C ATOM 433 CD GLU A 26 -1.724 6.818 -5.742 1.00 32.12 C ATOM 434 OE1 GLU A 26 -1.147 6.832 -4.629 1.00 11.02 O ATOM 435 OE2 GLU A 26 -1.204 7.317 -6.764 1.00 23.34 O ATOM 0 H GLU A 26 -5.213 5.513 -4.196 1.00 13.31 H new ATOM 0 HA GLU A 26 -6.363 7.488 -5.971 1.00 2.44 H new ATOM 0 HB2 GLU A 26 -4.103 7.942 -6.615 1.00 31.12 H new ATOM 0 HB3 GLU A 26 -4.162 7.784 -4.870 1.00 31.12 H new ATOM 0 HG2 GLU A 26 -3.254 5.470 -5.055 1.00 42.21 H new ATOM 0 HG3 GLU A 26 -3.183 5.641 -6.798 1.00 42.21 H new ATOM 442 N LEU A 27 -5.818 4.448 -7.023 1.00 34.01 N ATOM 443 CA LEU A 27 -6.250 3.522 -8.082 1.00 61.31 C ATOM 444 C LEU A 27 -7.757 3.707 -8.321 1.00 1.13 C ATOM 445 O LEU A 27 -8.197 3.700 -9.463 1.00 14.23 O ATOM 446 CB LEU A 27 -5.897 2.061 -7.677 1.00 13.41 C ATOM 447 CG LEU A 27 -6.106 0.900 -8.725 1.00 61.24 C ATOM 448 CD1 LEU A 27 -5.288 -0.337 -8.316 1.00 3.10 C ATOM 449 CD2 LEU A 27 -7.594 0.488 -8.913 1.00 31.04 C ATOM 0 H LEU A 27 -5.496 3.984 -6.174 1.00 34.01 H new ATOM 0 HA LEU A 27 -5.729 3.736 -9.015 1.00 61.31 H new ATOM 0 HB2 LEU A 27 -4.849 2.048 -7.377 1.00 13.41 H new ATOM 0 HB3 LEU A 27 -6.485 1.815 -6.793 1.00 13.41 H new ATOM 0 HG LEU A 27 -5.760 1.294 -9.681 1.00 61.24 H new ATOM 0 HD11 LEU A 27 -5.440 -1.132 -9.046 1.00 3.10 H new ATOM 0 HD12 LEU A 27 -4.230 -0.077 -8.277 1.00 3.10 H new ATOM 0 HD13 LEU A 27 -5.613 -0.680 -7.334 1.00 3.10 H new ATOM 0 HD21 LEU A 27 -7.659 -0.315 -9.648 1.00 31.04 H new ATOM 0 HD22 LEU A 27 -7.999 0.143 -7.962 1.00 31.04 H new ATOM 0 HD23 LEU A 27 -8.168 1.347 -9.262 1.00 31.04 H new ATOM 461 N THR A 28 -8.528 3.874 -7.224 1.00 13.34 N ATOM 462 CA THR A 28 -9.985 4.081 -7.285 1.00 3.33 C ATOM 463 C THR A 28 -10.306 5.404 -8.020 1.00 74.12 C ATOM 464 O THR A 28 -11.201 5.452 -8.880 1.00 63.53 O ATOM 465 CB THR A 28 -10.608 4.079 -5.849 1.00 60.20 C ATOM 466 OG1 THR A 28 -10.146 2.925 -5.126 1.00 54.34 O ATOM 467 CG2 THR A 28 -12.140 4.065 -5.871 1.00 71.33 C ATOM 0 H THR A 28 -8.155 3.869 -6.275 1.00 13.34 H new ATOM 0 HA THR A 28 -10.428 3.257 -7.844 1.00 3.33 H new ATOM 0 HB THR A 28 -10.289 5.000 -5.361 1.00 60.20 H new ATOM 0 HG1 THR A 28 -9.191 3.024 -4.928 1.00 54.34 H new ATOM 0 HG21 THR A 28 -12.519 4.064 -4.849 1.00 71.33 H new ATOM 0 HG22 THR A 28 -12.505 4.950 -6.392 1.00 71.33 H new ATOM 0 HG23 THR A 28 -12.488 3.171 -6.388 1.00 71.33 H new ATOM 475 N ASP A 29 -9.527 6.463 -7.695 1.00 23.14 N ATOM 476 CA ASP A 29 -9.563 7.740 -8.430 1.00 75.24 C ATOM 477 C ASP A 29 -9.207 7.511 -9.898 1.00 4.25 C ATOM 478 O ASP A 29 -9.925 7.971 -10.785 1.00 15.42 O ATOM 479 CB ASP A 29 -8.573 8.778 -7.827 1.00 61.32 C ATOM 480 CG ASP A 29 -9.061 9.395 -6.515 1.00 34.22 C ATOM 481 OD1 ASP A 29 -9.529 10.556 -6.520 1.00 54.14 O ATOM 482 OD2 ASP A 29 -8.995 8.725 -5.473 1.00 2.53 O ATOM 0 H ASP A 29 -8.862 6.452 -6.921 1.00 23.14 H new ATOM 0 HA ASP A 29 -10.575 8.136 -8.345 1.00 75.24 H new ATOM 0 HB2 ASP A 29 -7.611 8.294 -7.656 1.00 61.32 H new ATOM 0 HB3 ASP A 29 -8.406 9.573 -8.553 1.00 61.32 H new ATOM 487 N LEU A 30 -8.105 6.756 -10.119 1.00 23.22 N ATOM 488 CA LEU A 30 -7.526 6.534 -11.453 1.00 72.21 C ATOM 489 C LEU A 30 -8.496 5.800 -12.380 1.00 61.32 C ATOM 490 O LEU A 30 -8.592 6.160 -13.535 1.00 33.03 O ATOM 491 CB LEU A 30 -6.139 5.797 -11.380 1.00 53.23 C ATOM 492 CG LEU A 30 -4.884 6.661 -11.745 1.00 11.22 C ATOM 493 CD1 LEU A 30 -4.768 7.900 -10.841 1.00 70.53 C ATOM 494 CD2 LEU A 30 -3.592 5.816 -11.707 1.00 23.53 C ATOM 0 H LEU A 30 -7.596 6.285 -9.371 1.00 23.22 H new ATOM 0 HA LEU A 30 -7.346 7.520 -11.882 1.00 72.21 H new ATOM 0 HB2 LEU A 30 -6.008 5.410 -10.369 1.00 53.23 H new ATOM 0 HB3 LEU A 30 -6.171 4.937 -12.049 1.00 53.23 H new ATOM 0 HG LEU A 30 -5.018 7.015 -12.767 1.00 11.22 H new ATOM 0 HD11 LEU A 30 -3.886 8.475 -11.123 1.00 70.53 H new ATOM 0 HD12 LEU A 30 -5.657 8.519 -10.957 1.00 70.53 H new ATOM 0 HD13 LEU A 30 -4.678 7.585 -9.801 1.00 70.53 H new ATOM 0 HD21 LEU A 30 -2.739 6.444 -11.965 1.00 23.53 H new ATOM 0 HD22 LEU A 30 -3.453 5.408 -10.706 1.00 23.53 H new ATOM 0 HD23 LEU A 30 -3.671 4.999 -12.424 1.00 23.53 H new ATOM 506 N LYS A 31 -9.233 4.801 -11.857 1.00 62.44 N ATOM 507 CA LYS A 31 -10.164 3.989 -12.666 1.00 52.04 C ATOM 508 C LYS A 31 -11.448 4.762 -12.972 1.00 4.54 C ATOM 509 O LYS A 31 -11.998 4.638 -14.068 1.00 62.12 O ATOM 510 CB LYS A 31 -10.428 2.593 -12.000 1.00 72.11 C ATOM 511 CG LYS A 31 -11.068 2.582 -10.581 1.00 5.32 C ATOM 512 CD LYS A 31 -12.615 2.690 -10.579 1.00 3.50 C ATOM 513 CE LYS A 31 -13.298 1.522 -11.312 1.00 21.24 C ATOM 514 NZ LYS A 31 -14.770 1.698 -11.384 1.00 0.42 N ATOM 0 H LYS A 31 -9.201 4.536 -10.873 1.00 62.44 H new ATOM 0 HA LYS A 31 -9.694 3.783 -13.628 1.00 52.04 H new ATOM 0 HB2 LYS A 31 -11.075 2.020 -12.665 1.00 72.11 H new ATOM 0 HB3 LYS A 31 -9.478 2.062 -11.944 1.00 72.11 H new ATOM 0 HG2 LYS A 31 -10.779 1.663 -10.072 1.00 5.32 H new ATOM 0 HG3 LYS A 31 -10.657 3.410 -10.003 1.00 5.32 H new ATOM 0 HD2 LYS A 31 -12.970 2.724 -9.549 1.00 3.50 H new ATOM 0 HD3 LYS A 31 -12.909 3.629 -11.048 1.00 3.50 H new ATOM 0 HE2 LYS A 31 -12.893 1.440 -12.320 1.00 21.24 H new ATOM 0 HE3 LYS A 31 -13.069 0.588 -10.799 1.00 21.24 H new ATOM 0 HZ1 LYS A 31 -15.192 0.890 -11.885 1.00 0.42 H new ATOM 0 HZ2 LYS A 31 -15.161 1.751 -10.422 1.00 0.42 H new ATOM 0 HZ3 LYS A 31 -14.990 2.576 -11.896 1.00 0.42 H new ATOM 528 N LEU A 32 -11.873 5.592 -12.004 1.00 33.51 N ATOM 529 CA LEU A 32 -13.116 6.379 -12.101 1.00 12.20 C ATOM 530 C LEU A 32 -12.973 7.459 -13.186 1.00 35.35 C ATOM 531 O LEU A 32 -13.817 7.589 -14.082 1.00 32.42 O ATOM 532 CB LEU A 32 -13.420 7.008 -10.717 1.00 54.01 C ATOM 533 CG LEU A 32 -14.695 7.902 -10.620 1.00 4.51 C ATOM 534 CD1 LEU A 32 -15.977 7.111 -10.946 1.00 44.44 C ATOM 535 CD2 LEU A 32 -14.789 8.579 -9.235 1.00 71.34 C ATOM 0 H LEU A 32 -11.365 5.737 -11.132 1.00 33.51 H new ATOM 0 HA LEU A 32 -13.947 5.734 -12.385 1.00 12.20 H new ATOM 0 HB2 LEU A 32 -13.513 6.202 -9.990 1.00 54.01 H new ATOM 0 HB3 LEU A 32 -12.560 7.608 -10.419 1.00 54.01 H new ATOM 0 HG LEU A 32 -14.604 8.685 -11.373 1.00 4.51 H new ATOM 0 HD11 LEU A 32 -16.841 7.770 -10.867 1.00 44.44 H new ATOM 0 HD12 LEU A 32 -15.913 6.717 -11.960 1.00 44.44 H new ATOM 0 HD13 LEU A 32 -16.084 6.286 -10.242 1.00 44.44 H new ATOM 0 HD21 LEU A 32 -15.686 9.197 -9.192 1.00 71.34 H new ATOM 0 HD22 LEU A 32 -14.837 7.815 -8.459 1.00 71.34 H new ATOM 0 HD23 LEU A 32 -13.910 9.204 -9.075 1.00 71.34 H new ATOM 547 N GLN A 33 -11.865 8.205 -13.114 1.00 73.11 N ATOM 548 CA GLN A 33 -11.560 9.265 -14.071 1.00 23.15 C ATOM 549 C GLN A 33 -11.230 8.647 -15.454 1.00 33.03 C ATOM 550 O GLN A 33 -11.691 9.153 -16.491 1.00 44.35 O ATOM 551 CB GLN A 33 -10.387 10.128 -13.521 1.00 52.51 C ATOM 552 CG GLN A 33 -9.065 9.362 -13.395 1.00 24.12 C ATOM 553 CD GLN A 33 -7.962 10.067 -12.627 1.00 3.21 C ATOM 554 OE1 GLN A 33 -8.202 10.911 -11.765 1.00 62.30 O ATOM 555 NE2 GLN A 33 -6.745 9.640 -12.877 1.00 53.32 N ATOM 0 H GLN A 33 -11.157 8.088 -12.389 1.00 73.11 H new ATOM 0 HA GLN A 33 -12.424 9.916 -14.204 1.00 23.15 H new ATOM 0 HB2 GLN A 33 -10.239 10.985 -14.178 1.00 52.51 H new ATOM 0 HB3 GLN A 33 -10.664 10.521 -12.543 1.00 52.51 H new ATOM 0 HG2 GLN A 33 -9.266 8.407 -12.910 1.00 24.12 H new ATOM 0 HG3 GLN A 33 -8.699 9.140 -14.397 1.00 24.12 H new ATOM 0 HE21 GLN A 33 -6.589 8.938 -13.601 1.00 53.32 H new ATOM 0 HE22 GLN A 33 -5.956 10.010 -12.347 1.00 53.32 H new ATOM 564 N LEU A 34 -10.474 7.526 -15.448 1.00 2.04 N ATOM 565 CA LEU A 34 -10.020 6.852 -16.680 1.00 3.11 C ATOM 566 C LEU A 34 -11.208 6.582 -17.586 1.00 12.22 C ATOM 567 O LEU A 34 -11.214 7.101 -18.707 1.00 41.02 O ATOM 568 CB LEU A 34 -9.240 5.547 -16.335 1.00 20.11 C ATOM 569 CG LEU A 34 -8.645 4.669 -17.497 1.00 54.41 C ATOM 570 CD1 LEU A 34 -9.579 3.516 -17.911 1.00 51.21 C ATOM 571 CD2 LEU A 34 -8.220 5.526 -18.715 1.00 34.42 C ATOM 0 H LEU A 34 -10.164 7.067 -14.592 1.00 2.04 H new ATOM 0 HA LEU A 34 -9.331 7.504 -17.217 1.00 3.11 H new ATOM 0 HB2 LEU A 34 -8.414 5.824 -15.679 1.00 20.11 H new ATOM 0 HB3 LEU A 34 -9.908 4.911 -15.755 1.00 20.11 H new ATOM 0 HG LEU A 34 -7.743 4.208 -17.095 1.00 54.41 H new ATOM 0 HD11 LEU A 34 -9.117 2.945 -18.716 1.00 51.21 H new ATOM 0 HD12 LEU A 34 -9.752 2.863 -17.056 1.00 51.21 H new ATOM 0 HD13 LEU A 34 -10.530 3.923 -18.255 1.00 51.21 H new ATOM 0 HD21 LEU A 34 -7.815 4.878 -19.492 1.00 34.42 H new ATOM 0 HD22 LEU A 34 -9.087 6.061 -19.104 1.00 34.42 H new ATOM 0 HD23 LEU A 34 -7.459 6.243 -18.408 1.00 34.42 H new ATOM 774 N PHE B 102 7.872 -15.764 21.672 1.00 44.33 N ATOM 775 CA PHE B 102 8.168 -14.547 20.887 1.00 61.31 C ATOM 776 C PHE B 102 8.579 -14.882 19.439 1.00 53.54 C ATOM 777 O PHE B 102 8.503 -14.024 18.549 1.00 64.15 O ATOM 778 CB PHE B 102 9.293 -13.752 21.578 1.00 33.02 C ATOM 779 CG PHE B 102 8.953 -13.254 22.985 1.00 62.20 C ATOM 780 CD1 PHE B 102 8.243 -12.070 23.165 1.00 30.53 C ATOM 781 CD2 PHE B 102 9.369 -13.953 24.121 1.00 44.54 C ATOM 782 CE1 PHE B 102 7.956 -11.596 24.424 1.00 24.34 C ATOM 783 CE2 PHE B 102 9.078 -13.480 25.386 1.00 40.14 C ATOM 784 CZ PHE B 102 8.371 -12.301 25.537 1.00 13.33 C ATOM 0 HA PHE B 102 7.259 -13.948 20.841 1.00 61.31 H new ATOM 0 HB2 PHE B 102 10.182 -14.381 21.635 1.00 33.02 H new ATOM 0 HB3 PHE B 102 9.548 -12.894 20.956 1.00 33.02 H new ATOM 0 HD1 PHE B 102 7.912 -11.514 22.301 1.00 30.53 H new ATOM 0 HD2 PHE B 102 9.924 -14.873 24.009 1.00 44.54 H new ATOM 0 HE1 PHE B 102 7.407 -10.674 24.542 1.00 24.34 H new ATOM 0 HE2 PHE B 102 9.402 -14.031 26.257 1.00 40.14 H new ATOM 0 HZ PHE B 102 8.143 -11.931 26.526 1.00 13.33 H new ATOM 794 N LYS B 103 9.029 -16.133 19.209 1.00 24.20 N ATOM 795 CA LYS B 103 9.353 -16.623 17.849 1.00 51.43 C ATOM 796 C LYS B 103 8.126 -16.471 16.937 1.00 33.11 C ATOM 797 O LYS B 103 8.242 -16.112 15.758 1.00 22.24 O ATOM 798 CB LYS B 103 9.827 -18.112 17.857 1.00 14.13 C ATOM 799 CG LYS B 103 8.730 -19.186 18.140 1.00 23.35 C ATOM 800 CD LYS B 103 8.257 -19.260 19.618 1.00 62.14 C ATOM 801 CE LYS B 103 9.168 -20.135 20.512 1.00 40.52 C ATOM 802 NZ LYS B 103 10.602 -19.750 20.458 1.00 53.32 N ATOM 0 H LYS B 103 9.177 -16.823 19.945 1.00 24.20 H new ATOM 0 HA LYS B 103 10.177 -16.019 17.469 1.00 51.43 H new ATOM 0 HB2 LYS B 103 10.280 -18.332 16.890 1.00 14.13 H new ATOM 0 HB3 LYS B 103 10.611 -18.217 18.607 1.00 14.13 H new ATOM 0 HG2 LYS B 103 7.867 -18.979 17.507 1.00 23.35 H new ATOM 0 HG3 LYS B 103 9.114 -20.163 17.847 1.00 23.35 H new ATOM 0 HD2 LYS B 103 8.217 -18.252 20.030 1.00 62.14 H new ATOM 0 HD3 LYS B 103 7.242 -19.657 19.648 1.00 62.14 H new ATOM 0 HE2 LYS B 103 8.822 -20.070 21.543 1.00 40.52 H new ATOM 0 HE3 LYS B 103 9.069 -21.177 20.208 1.00 40.52 H new ATOM 0 HZ1 LYS B 103 11.123 -20.245 21.210 1.00 53.32 H new ATOM 0 HZ2 LYS B 103 10.997 -20.013 19.533 1.00 53.32 H new ATOM 0 HZ3 LYS B 103 10.691 -18.723 20.594 1.00 53.32 H new ATOM 816 N LYS B 104 6.942 -16.716 17.538 1.00 1.14 N ATOM 817 CA LYS B 104 5.667 -16.614 16.855 1.00 75.24 C ATOM 818 C LYS B 104 5.349 -15.154 16.507 1.00 24.10 C ATOM 819 O LYS B 104 4.797 -14.920 15.455 1.00 40.55 O ATOM 820 CB LYS B 104 4.540 -17.284 17.696 1.00 30.32 C ATOM 821 CG LYS B 104 4.289 -16.675 19.105 1.00 42.01 C ATOM 822 CD LYS B 104 3.222 -15.545 19.135 1.00 75.13 C ATOM 823 CE LYS B 104 1.820 -16.016 18.704 1.00 45.04 C ATOM 824 NZ LYS B 104 0.827 -14.907 18.723 1.00 24.13 N ATOM 0 H LYS B 104 6.861 -16.991 18.517 1.00 1.14 H new ATOM 0 HA LYS B 104 5.729 -17.157 15.912 1.00 75.24 H new ATOM 0 HB2 LYS B 104 3.611 -17.232 17.129 1.00 30.32 H new ATOM 0 HB3 LYS B 104 4.782 -18.340 17.816 1.00 30.32 H new ATOM 0 HG2 LYS B 104 3.977 -17.471 19.781 1.00 42.01 H new ATOM 0 HG3 LYS B 104 5.229 -16.280 19.490 1.00 42.01 H new ATOM 0 HD2 LYS B 104 3.166 -15.135 20.144 1.00 75.13 H new ATOM 0 HD3 LYS B 104 3.543 -14.735 18.480 1.00 75.13 H new ATOM 0 HE2 LYS B 104 1.872 -16.438 17.700 1.00 45.04 H new ATOM 0 HE3 LYS B 104 1.486 -16.813 19.368 1.00 45.04 H new ATOM 0 HZ1 LYS B 104 -0.102 -15.268 18.426 1.00 24.13 H new ATOM 0 HZ2 LYS B 104 0.757 -14.520 19.686 1.00 24.13 H new ATOM 0 HZ3 LYS B 104 1.132 -14.157 18.070 1.00 24.13 H new ATOM 838 N LEU B 105 5.734 -14.164 17.381 1.00 54.54 N ATOM 839 CA LEU B 105 5.474 -12.724 17.098 1.00 41.23 C ATOM 840 C LEU B 105 6.198 -12.338 15.807 1.00 34.42 C ATOM 841 O LEU B 105 5.632 -11.653 14.945 1.00 52.13 O ATOM 842 CB LEU B 105 5.843 -11.777 18.325 1.00 3.42 C ATOM 843 CG LEU B 105 7.312 -11.173 18.458 1.00 21.10 C ATOM 844 CD1 LEU B 105 7.601 -10.012 17.483 1.00 73.24 C ATOM 845 CD2 LEU B 105 7.604 -10.697 19.892 1.00 72.33 C ATOM 0 H LEU B 105 6.213 -14.339 18.264 1.00 54.54 H new ATOM 0 HA LEU B 105 4.403 -12.579 16.957 1.00 41.23 H new ATOM 0 HB2 LEU B 105 5.149 -10.937 18.305 1.00 3.42 H new ATOM 0 HB3 LEU B 105 5.640 -12.337 19.238 1.00 3.42 H new ATOM 0 HG LEU B 105 7.972 -12.000 18.196 1.00 21.10 H new ATOM 0 HD11 LEU B 105 8.620 -9.655 17.634 1.00 73.24 H new ATOM 0 HD12 LEU B 105 7.488 -10.362 16.457 1.00 73.24 H new ATOM 0 HD13 LEU B 105 6.900 -9.198 17.668 1.00 73.24 H new ATOM 0 HD21 LEU B 105 8.615 -10.292 19.942 1.00 72.33 H new ATOM 0 HD22 LEU B 105 6.889 -9.923 20.171 1.00 72.33 H new ATOM 0 HD23 LEU B 105 7.516 -11.538 20.580 1.00 72.33 H new ATOM 857 N TYR B 106 7.458 -12.826 15.691 1.00 64.45 N ATOM 858 CA TYR B 106 8.301 -12.618 14.510 1.00 11.14 C ATOM 859 C TYR B 106 7.583 -13.149 13.252 1.00 32.13 C ATOM 860 O TYR B 106 7.464 -12.442 12.257 1.00 15.14 O ATOM 861 CB TYR B 106 9.678 -13.320 14.707 1.00 21.54 C ATOM 862 CG TYR B 106 10.745 -12.907 13.676 1.00 45.40 C ATOM 863 CD1 TYR B 106 11.102 -13.727 12.602 1.00 53.22 C ATOM 864 CD2 TYR B 106 11.363 -11.666 13.772 1.00 5.44 C ATOM 865 CE1 TYR B 106 12.037 -13.310 11.667 1.00 34.33 C ATOM 866 CE2 TYR B 106 12.297 -11.240 12.848 1.00 74.24 C ATOM 867 CZ TYR B 106 12.631 -12.065 11.793 1.00 65.50 C ATOM 868 OH TYR B 106 13.557 -11.649 10.859 1.00 75.23 O ATOM 0 H TYR B 106 7.910 -13.375 16.422 1.00 64.45 H new ATOM 0 HA TYR B 106 8.480 -11.551 14.377 1.00 11.14 H new ATOM 0 HB2 TYR B 106 10.048 -13.096 15.707 1.00 21.54 H new ATOM 0 HB3 TYR B 106 9.535 -14.399 14.654 1.00 21.54 H new ATOM 0 HD1 TYR B 106 10.643 -14.699 12.499 1.00 53.22 H new ATOM 0 HD2 TYR B 106 11.105 -11.015 14.594 1.00 5.44 H new ATOM 0 HE1 TYR B 106 12.302 -13.955 10.842 1.00 34.33 H new ATOM 0 HE2 TYR B 106 12.762 -10.270 12.950 1.00 74.24 H new ATOM 0 HH TYR B 106 13.877 -10.753 11.092 1.00 75.23 H new ATOM 878 N GLU B 107 7.046 -14.376 13.362 1.00 34.43 N ATOM 879 CA GLU B 107 6.367 -15.076 12.258 1.00 1.54 C ATOM 880 C GLU B 107 5.027 -14.421 11.858 1.00 20.23 C ATOM 881 O GLU B 107 4.754 -14.293 10.673 1.00 12.53 O ATOM 882 CB GLU B 107 6.146 -16.551 12.659 1.00 33.51 C ATOM 883 CG GLU B 107 7.448 -17.352 12.847 1.00 53.55 C ATOM 884 CD GLU B 107 7.208 -18.777 13.363 1.00 23.54 C ATOM 885 OE1 GLU B 107 6.991 -19.691 12.539 1.00 51.35 O ATOM 886 OE2 GLU B 107 7.206 -18.982 14.597 1.00 15.24 O ATOM 0 H GLU B 107 7.071 -14.915 14.228 1.00 34.43 H new ATOM 0 HA GLU B 107 7.010 -15.011 11.380 1.00 1.54 H new ATOM 0 HB2 GLU B 107 5.575 -16.583 13.587 1.00 33.51 H new ATOM 0 HB3 GLU B 107 5.540 -17.037 11.895 1.00 33.51 H new ATOM 0 HG2 GLU B 107 7.978 -17.401 11.896 1.00 53.55 H new ATOM 0 HG3 GLU B 107 8.095 -16.823 13.546 1.00 53.55 H new ATOM 893 N GLN B 108 4.207 -14.006 12.852 1.00 11.41 N ATOM 894 CA GLN B 108 2.845 -13.479 12.598 1.00 35.14 C ATOM 895 C GLN B 108 2.907 -12.153 11.831 1.00 72.00 C ATOM 896 O GLN B 108 2.250 -11.998 10.790 1.00 72.54 O ATOM 897 CB GLN B 108 2.015 -13.288 13.911 1.00 5.33 C ATOM 898 CG GLN B 108 1.858 -14.543 14.808 1.00 3.14 C ATOM 899 CD GLN B 108 1.650 -15.846 14.035 1.00 62.52 C ATOM 900 OE1 GLN B 108 0.526 -16.237 13.734 1.00 52.34 O ATOM 901 NE2 GLN B 108 2.744 -16.524 13.716 1.00 25.42 N ATOM 0 H GLN B 108 4.465 -14.026 13.839 1.00 11.41 H new ATOM 0 HA GLN B 108 2.336 -14.229 11.992 1.00 35.14 H new ATOM 0 HB2 GLN B 108 2.484 -12.501 14.502 1.00 5.33 H new ATOM 0 HB3 GLN B 108 1.021 -12.934 13.640 1.00 5.33 H new ATOM 0 HG2 GLN B 108 2.746 -14.642 15.433 1.00 3.14 H new ATOM 0 HG3 GLN B 108 1.012 -14.393 15.478 1.00 3.14 H new ATOM 0 HE21 GLN B 108 3.661 -16.167 13.983 1.00 25.42 H new ATOM 0 HE22 GLN B 108 2.668 -17.402 13.203 1.00 25.42 H new ATOM 910 N ILE B 109 3.714 -11.207 12.351 1.00 50.04 N ATOM 911 CA ILE B 109 3.845 -9.876 11.750 1.00 64.23 C ATOM 912 C ILE B 109 4.573 -9.960 10.391 1.00 3.13 C ATOM 913 O ILE B 109 4.227 -9.230 9.468 1.00 50.42 O ATOM 914 CB ILE B 109 4.617 -8.862 12.674 1.00 54.14 C ATOM 915 CG1 ILE B 109 4.137 -8.929 14.154 1.00 30.44 C ATOM 916 CG2 ILE B 109 4.468 -7.421 12.129 1.00 41.13 C ATOM 917 CD1 ILE B 109 4.972 -8.083 15.103 1.00 24.44 C ATOM 0 H ILE B 109 4.283 -11.346 13.186 1.00 50.04 H new ATOM 0 HA ILE B 109 2.829 -9.506 11.614 1.00 64.23 H new ATOM 0 HB ILE B 109 5.669 -9.149 12.661 1.00 54.14 H new ATOM 0 HG12 ILE B 109 3.099 -8.601 14.206 1.00 30.44 H new ATOM 0 HG13 ILE B 109 4.161 -9.966 14.488 1.00 30.44 H new ATOM 0 HG21 ILE B 109 5.006 -6.729 12.777 1.00 41.13 H new ATOM 0 HG22 ILE B 109 4.880 -7.369 11.121 1.00 41.13 H new ATOM 0 HG23 ILE B 109 3.413 -7.149 12.105 1.00 41.13 H new ATOM 0 HD11 ILE B 109 4.580 -8.178 16.116 1.00 24.44 H new ATOM 0 HD12 ILE B 109 6.007 -8.425 15.081 1.00 24.44 H new ATOM 0 HD13 ILE B 109 4.928 -7.039 14.794 1.00 24.44 H new ATOM 929 N LEU B 110 5.597 -10.843 10.290 1.00 71.40 N ATOM 930 CA LEU B 110 6.394 -11.002 9.047 1.00 2.44 C ATOM 931 C LEU B 110 5.606 -11.754 7.961 1.00 10.15 C ATOM 932 O LEU B 110 5.866 -11.572 6.775 1.00 42.54 O ATOM 933 CB LEU B 110 7.749 -11.711 9.321 1.00 12.51 C ATOM 934 CG LEU B 110 8.809 -11.644 8.171 1.00 13.31 C ATOM 935 CD1 LEU B 110 9.177 -10.184 7.816 1.00 42.42 C ATOM 936 CD2 LEU B 110 10.067 -12.466 8.519 1.00 54.53 C ATOM 0 H LEU B 110 5.890 -11.455 11.052 1.00 71.40 H new ATOM 0 HA LEU B 110 6.606 -9.998 8.679 1.00 2.44 H new ATOM 0 HB2 LEU B 110 8.189 -11.275 10.218 1.00 12.51 H new ATOM 0 HB3 LEU B 110 7.549 -12.759 9.542 1.00 12.51 H new ATOM 0 HG LEU B 110 8.354 -12.090 7.287 1.00 13.31 H new ATOM 0 HD11 LEU B 110 9.915 -10.180 7.014 1.00 42.42 H new ATOM 0 HD12 LEU B 110 8.283 -9.653 7.489 1.00 42.42 H new ATOM 0 HD13 LEU B 110 9.592 -9.690 8.694 1.00 42.42 H new ATOM 0 HD21 LEU B 110 10.783 -12.399 7.700 1.00 54.53 H new ATOM 0 HD22 LEU B 110 10.519 -12.072 9.430 1.00 54.53 H new ATOM 0 HD23 LEU B 110 9.789 -13.509 8.673 1.00 54.53 H new ATOM 948 N ALA B 111 4.657 -12.613 8.378 1.00 34.02 N ATOM 949 CA ALA B 111 3.714 -13.268 7.447 1.00 75.41 C ATOM 950 C ALA B 111 2.771 -12.224 6.831 1.00 31.43 C ATOM 951 O ALA B 111 2.479 -12.264 5.629 1.00 52.10 O ATOM 952 CB ALA B 111 2.913 -14.369 8.158 1.00 65.32 C ATOM 0 H ALA B 111 4.522 -12.871 9.355 1.00 34.02 H new ATOM 0 HA ALA B 111 4.289 -13.737 6.648 1.00 75.41 H new ATOM 0 HB1 ALA B 111 2.227 -14.834 7.450 1.00 65.32 H new ATOM 0 HB2 ALA B 111 3.597 -15.122 8.549 1.00 65.32 H new ATOM 0 HB3 ALA B 111 2.346 -13.933 8.980 1.00 65.32 H new ATOM 958 N GLU B 112 2.312 -11.288 7.685 1.00 11.43 N ATOM 959 CA GLU B 112 1.480 -10.158 7.265 1.00 31.01 C ATOM 960 C GLU B 112 2.295 -9.190 6.385 1.00 70.34 C ATOM 961 O GLU B 112 1.806 -8.728 5.378 1.00 12.01 O ATOM 962 CB GLU B 112 0.907 -9.411 8.505 1.00 34.04 C ATOM 963 CG GLU B 112 -0.126 -8.296 8.179 1.00 75.41 C ATOM 964 CD GLU B 112 -1.537 -8.775 7.770 1.00 43.31 C ATOM 965 OE1 GLU B 112 -2.435 -7.921 7.637 1.00 33.42 O ATOM 966 OE2 GLU B 112 -1.769 -9.987 7.569 1.00 4.20 O ATOM 0 H GLU B 112 2.512 -11.300 8.685 1.00 11.43 H new ATOM 0 HA GLU B 112 0.646 -10.543 6.679 1.00 31.01 H new ATOM 0 HB2 GLU B 112 0.436 -10.140 9.165 1.00 34.04 H new ATOM 0 HB3 GLU B 112 1.735 -8.968 9.059 1.00 34.04 H new ATOM 0 HG2 GLU B 112 -0.222 -7.652 9.053 1.00 75.41 H new ATOM 0 HG3 GLU B 112 0.275 -7.682 7.373 1.00 75.41 H new ATOM 973 N ASN B 113 3.558 -8.935 6.781 1.00 3.21 N ATOM 974 CA ASN B 113 4.484 -7.996 6.099 1.00 54.34 C ATOM 975 C ASN B 113 4.827 -8.512 4.690 1.00 10.22 C ATOM 976 O ASN B 113 4.859 -7.739 3.725 1.00 32.14 O ATOM 977 CB ASN B 113 5.763 -7.812 6.989 1.00 4.21 C ATOM 978 CG ASN B 113 6.818 -6.828 6.447 1.00 3.43 C ATOM 979 OD1 ASN B 113 7.164 -6.835 5.270 1.00 41.23 O ATOM 980 ND2 ASN B 113 7.335 -5.955 7.310 1.00 33.43 N ATOM 0 H ASN B 113 3.975 -9.382 7.598 1.00 3.21 H new ATOM 0 HA ASN B 113 4.010 -7.023 5.972 1.00 54.34 H new ATOM 0 HB2 ASN B 113 5.450 -7.473 7.977 1.00 4.21 H new ATOM 0 HB3 ASN B 113 6.235 -8.786 7.121 1.00 4.21 H new ATOM 0 HD21 ASN B 113 8.030 -5.278 6.996 1.00 33.43 H new ATOM 0 HD22 ASN B 113 7.036 -5.963 8.285 1.00 33.43 H new ATOM 987 N GLU B 114 5.068 -9.827 4.604 1.00 42.02 N ATOM 988 CA GLU B 114 5.287 -10.551 3.341 1.00 31.31 C ATOM 989 C GLU B 114 4.068 -10.399 2.417 1.00 41.44 C ATOM 990 O GLU B 114 4.214 -10.109 1.221 1.00 72.14 O ATOM 991 CB GLU B 114 5.586 -12.057 3.642 1.00 53.31 C ATOM 992 CG GLU B 114 5.059 -13.059 2.591 1.00 62.14 C ATOM 993 CD GLU B 114 5.546 -14.496 2.815 1.00 20.32 C ATOM 994 OE1 GLU B 114 4.823 -15.282 3.460 1.00 42.54 O ATOM 995 OE2 GLU B 114 6.665 -14.832 2.380 1.00 74.32 O ATOM 0 H GLU B 114 5.117 -10.430 5.425 1.00 42.02 H new ATOM 0 HA GLU B 114 6.148 -10.125 2.826 1.00 31.31 H new ATOM 0 HB2 GLU B 114 6.665 -12.185 3.733 1.00 53.31 H new ATOM 0 HB3 GLU B 114 5.153 -12.310 4.610 1.00 53.31 H new ATOM 0 HG2 GLU B 114 3.969 -13.047 2.604 1.00 62.14 H new ATOM 0 HG3 GLU B 114 5.369 -12.729 1.599 1.00 62.14 H new ATOM 1002 N LYS B 115 2.873 -10.620 2.998 1.00 22.51 N ATOM 1003 CA LYS B 115 1.606 -10.465 2.284 1.00 35.53 C ATOM 1004 C LYS B 115 1.481 -9.039 1.745 1.00 24.10 C ATOM 1005 O LYS B 115 1.168 -8.841 0.579 1.00 52.42 O ATOM 1006 CB LYS B 115 0.388 -10.762 3.197 1.00 34.34 C ATOM 1007 CG LYS B 115 -0.981 -10.603 2.478 1.00 61.14 C ATOM 1008 CD LYS B 115 -2.176 -10.437 3.438 1.00 44.23 C ATOM 1009 CE LYS B 115 -2.176 -9.079 4.168 1.00 64.14 C ATOM 1010 NZ LYS B 115 -3.326 -8.963 5.108 1.00 3.25 N ATOM 0 H LYS B 115 2.767 -10.909 3.970 1.00 22.51 H new ATOM 0 HA LYS B 115 1.607 -11.183 1.464 1.00 35.53 H new ATOM 0 HB2 LYS B 115 0.472 -11.779 3.581 1.00 34.34 H new ATOM 0 HB3 LYS B 115 0.417 -10.093 4.057 1.00 34.34 H new ATOM 0 HG2 LYS B 115 -0.935 -9.737 1.818 1.00 61.14 H new ATOM 0 HG3 LYS B 115 -1.153 -11.476 1.848 1.00 61.14 H new ATOM 0 HD2 LYS B 115 -3.104 -10.541 2.876 1.00 44.23 H new ATOM 0 HD3 LYS B 115 -2.158 -11.240 4.175 1.00 44.23 H new ATOM 0 HE2 LYS B 115 -1.242 -8.961 4.718 1.00 64.14 H new ATOM 0 HE3 LYS B 115 -2.220 -8.272 3.437 1.00 64.14 H new ATOM 0 HZ1 LYS B 115 -3.056 -8.364 5.915 1.00 3.25 H new ATOM 0 HZ2 LYS B 115 -4.136 -8.535 4.615 1.00 3.25 H new ATOM 0 HZ3 LYS B 115 -3.590 -9.908 5.452 1.00 3.25 H new ATOM 1024 N LEU B 116 1.777 -8.058 2.626 1.00 52.54 N ATOM 1025 CA LEU B 116 1.653 -6.630 2.326 1.00 64.11 C ATOM 1026 C LEU B 116 2.622 -6.219 1.209 1.00 32.24 C ATOM 1027 O LEU B 116 2.336 -5.306 0.436 1.00 61.35 O ATOM 1028 CB LEU B 116 1.864 -5.765 3.593 1.00 53.03 C ATOM 1029 CG LEU B 116 0.789 -5.917 4.709 1.00 54.22 C ATOM 1030 CD1 LEU B 116 1.152 -5.105 5.966 1.00 21.42 C ATOM 1031 CD2 LEU B 116 -0.616 -5.552 4.200 1.00 4.52 C ATOM 0 H LEU B 116 2.111 -8.246 3.571 1.00 52.54 H new ATOM 0 HA LEU B 116 0.637 -6.453 1.974 1.00 64.11 H new ATOM 0 HB2 LEU B 116 2.838 -6.010 4.018 1.00 53.03 H new ATOM 0 HB3 LEU B 116 1.901 -4.718 3.292 1.00 53.03 H new ATOM 0 HG LEU B 116 0.773 -6.970 4.991 1.00 54.22 H new ATOM 0 HD11 LEU B 116 0.377 -5.237 6.721 1.00 21.42 H new ATOM 0 HD12 LEU B 116 2.107 -5.453 6.361 1.00 21.42 H new ATOM 0 HD13 LEU B 116 1.230 -4.049 5.707 1.00 21.42 H new ATOM 0 HD21 LEU B 116 -1.338 -5.671 5.008 1.00 4.52 H new ATOM 0 HD22 LEU B 116 -0.622 -4.517 3.858 1.00 4.52 H new ATOM 0 HD23 LEU B 116 -0.885 -6.209 3.373 1.00 4.52 H new ATOM 1043 N LYS B 117 3.751 -6.932 1.130 1.00 74.11 N ATOM 1044 CA LYS B 117 4.762 -6.741 0.090 1.00 61.44 C ATOM 1045 C LYS B 117 4.213 -7.201 -1.284 1.00 60.30 C ATOM 1046 O LYS B 117 4.335 -6.492 -2.296 1.00 12.14 O ATOM 1047 CB LYS B 117 6.062 -7.515 0.487 1.00 64.52 C ATOM 1048 CG LYS B 117 7.383 -6.883 -0.002 1.00 64.53 C ATOM 1049 CD LYS B 117 7.599 -5.453 0.544 1.00 3.30 C ATOM 1050 CE LYS B 117 7.516 -5.360 2.081 1.00 51.12 C ATOM 1051 NZ LYS B 117 8.545 -6.170 2.778 1.00 32.35 N ATOM 0 H LYS B 117 3.989 -7.667 1.796 1.00 74.11 H new ATOM 0 HA LYS B 117 5.008 -5.683 0.001 1.00 61.44 H new ATOM 0 HB2 LYS B 117 6.098 -7.597 1.573 1.00 64.52 H new ATOM 0 HB3 LYS B 117 5.996 -8.529 0.093 1.00 64.52 H new ATOM 0 HG2 LYS B 117 8.218 -7.514 0.304 1.00 64.53 H new ATOM 0 HG3 LYS B 117 7.386 -6.856 -1.092 1.00 64.53 H new ATOM 0 HD2 LYS B 117 8.575 -5.092 0.219 1.00 3.30 H new ATOM 0 HD3 LYS B 117 6.852 -4.790 0.107 1.00 3.30 H new ATOM 0 HE2 LYS B 117 7.621 -4.317 2.380 1.00 51.12 H new ATOM 0 HE3 LYS B 117 6.527 -5.686 2.404 1.00 51.12 H new ATOM 0 HZ1 LYS B 117 8.187 -6.457 3.711 1.00 32.35 H new ATOM 0 HZ2 LYS B 117 8.761 -7.017 2.214 1.00 32.35 H new ATOM 0 HZ3 LYS B 117 9.410 -5.604 2.898 1.00 32.35 H new ATOM 1065 N ALA B 118 3.553 -8.371 -1.273 1.00 50.12 N ATOM 1066 CA ALA B 118 3.022 -9.019 -2.482 1.00 30.13 C ATOM 1067 C ALA B 118 1.820 -8.239 -3.054 1.00 25.52 C ATOM 1068 O ALA B 118 1.752 -7.969 -4.260 1.00 44.52 O ATOM 1069 CB ALA B 118 2.625 -10.467 -2.147 1.00 61.40 C ATOM 0 H ALA B 118 3.372 -8.897 -0.418 1.00 50.12 H new ATOM 0 HA ALA B 118 3.797 -9.025 -3.249 1.00 30.13 H new ATOM 0 HB1 ALA B 118 2.231 -10.952 -3.040 1.00 61.40 H new ATOM 0 HB2 ALA B 118 3.501 -11.012 -1.795 1.00 61.40 H new ATOM 0 HB3 ALA B 118 1.862 -10.464 -1.369 1.00 61.40 H new ATOM 1075 N GLN B 119 0.897 -7.850 -2.152 1.00 22.14 N ATOM 1076 CA GLN B 119 -0.368 -7.185 -2.510 1.00 53.24 C ATOM 1077 C GLN B 119 -0.135 -5.734 -2.952 1.00 31.21 C ATOM 1078 O GLN B 119 -0.908 -5.208 -3.751 1.00 63.43 O ATOM 1079 CB GLN B 119 -1.377 -7.250 -1.320 1.00 51.40 C ATOM 1080 CG GLN B 119 -0.919 -6.525 -0.032 1.00 33.21 C ATOM 1081 CD GLN B 119 -1.232 -5.033 0.057 1.00 51.05 C ATOM 1082 OE1 GLN B 119 -0.321 -4.281 0.654 1.00 42.11 O flip ATOM 1083 NE2 GLN B 119 -2.247 -4.554 -0.451 1.00 54.21 N flip ATOM 0 H GLN B 119 1.011 -7.990 -1.148 1.00 22.14 H new ATOM 0 HA GLN B 119 -0.798 -7.719 -3.357 1.00 53.24 H new ATOM 0 HB2 GLN B 119 -2.325 -6.820 -1.643 1.00 51.40 H new ATOM 0 HB3 GLN B 119 -1.567 -8.296 -1.082 1.00 51.40 H new ATOM 0 HG2 GLN B 119 -1.380 -7.022 0.822 1.00 33.21 H new ATOM 0 HG3 GLN B 119 0.159 -6.654 0.068 1.00 33.21 H new ATOM 0 HE21 GLN B 119 -2.928 -5.164 -0.903 1.00 54.21 H new ATOM 0 HE22 GLN B 119 -2.406 -3.547 -0.420 1.00 54.21 H new ATOM 1092 N LEU B 120 0.900 -5.067 -2.378 1.00 45.25 N ATOM 1093 CA LEU B 120 1.263 -3.704 -2.802 1.00 51.01 C ATOM 1094 C LEU B 120 1.804 -3.752 -4.228 1.00 5.31 C ATOM 1095 O LEU B 120 1.429 -2.930 -5.049 1.00 72.34 O ATOM 1096 CB LEU B 120 2.273 -3.021 -1.815 1.00 23.33 C ATOM 1097 CG LEU B 120 3.831 -3.246 -2.004 1.00 1.32 C ATOM 1098 CD1 LEU B 120 4.473 -2.230 -2.989 1.00 61.05 C ATOM 1099 CD2 LEU B 120 4.580 -3.209 -0.665 1.00 41.14 C ATOM 0 H LEU B 120 1.484 -5.449 -1.634 1.00 45.25 H new ATOM 0 HA LEU B 120 0.367 -3.083 -2.781 1.00 51.01 H new ATOM 0 HB2 LEU B 120 2.092 -1.947 -1.856 1.00 23.33 H new ATOM 0 HB3 LEU B 120 2.016 -3.350 -0.808 1.00 23.33 H new ATOM 0 HG LEU B 120 3.930 -4.241 -2.438 1.00 1.32 H new ATOM 0 HD11 LEU B 120 5.540 -2.434 -3.078 1.00 61.05 H new ATOM 0 HD12 LEU B 120 4.003 -2.325 -3.968 1.00 61.05 H new ATOM 0 HD13 LEU B 120 4.327 -1.217 -2.613 1.00 61.05 H new ATOM 0 HD21 LEU B 120 5.644 -3.367 -0.839 1.00 41.14 H new ATOM 0 HD22 LEU B 120 4.430 -2.239 -0.191 1.00 41.14 H new ATOM 0 HD23 LEU B 120 4.198 -3.994 -0.013 1.00 41.14 H new ATOM 1111 N HIS B 121 2.674 -4.756 -4.503 1.00 61.34 N ATOM 1112 CA HIS B 121 3.287 -4.953 -5.827 1.00 20.53 C ATOM 1113 C HIS B 121 2.195 -5.191 -6.890 1.00 24.33 C ATOM 1114 O HIS B 121 2.290 -4.706 -8.026 1.00 52.34 O ATOM 1115 CB HIS B 121 4.277 -6.135 -5.772 1.00 23.24 C ATOM 1116 CG HIS B 121 5.116 -6.300 -7.011 1.00 62.04 C ATOM 1117 ND1 HIS B 121 4.928 -7.313 -7.923 1.00 60.21 N ATOM 1118 CD2 HIS B 121 6.155 -5.573 -7.475 1.00 64.05 C ATOM 1119 CE1 HIS B 121 5.820 -7.207 -8.884 1.00 75.33 C ATOM 1120 NE2 HIS B 121 6.577 -6.156 -8.638 1.00 4.34 N ATOM 0 H HIS B 121 2.965 -5.446 -3.811 1.00 61.34 H new ATOM 0 HA HIS B 121 3.838 -4.055 -6.107 1.00 20.53 H new ATOM 0 HB2 HIS B 121 4.938 -6.001 -4.916 1.00 23.24 H new ATOM 0 HB3 HIS B 121 3.717 -7.055 -5.602 1.00 23.24 H new ATOM 0 HD2 HIS B 121 6.576 -4.692 -7.012 1.00 64.05 H new ATOM 0 HE1 HIS B 121 5.916 -7.869 -9.732 1.00 75.33 H new ATOM 0 HE2 HIS B 121 7.350 -5.831 -9.219 1.00 4.34 H new ATOM 1129 N ASP B 122 1.152 -5.931 -6.464 1.00 73.24 N ATOM 1130 CA ASP B 122 -0.074 -6.142 -7.240 1.00 75.53 C ATOM 1131 C ASP B 122 -0.752 -4.792 -7.551 1.00 42.43 C ATOM 1132 O ASP B 122 -0.858 -4.410 -8.705 1.00 40.01 O ATOM 1133 CB ASP B 122 -1.037 -7.080 -6.463 1.00 51.45 C ATOM 1134 CG ASP B 122 -2.409 -7.255 -7.142 1.00 62.11 C ATOM 1135 OD1 ASP B 122 -2.515 -8.069 -8.082 1.00 4.11 O ATOM 1136 OD2 ASP B 122 -3.386 -6.586 -6.731 1.00 55.13 O ATOM 0 H ASP B 122 1.143 -6.402 -5.559 1.00 73.24 H new ATOM 0 HA ASP B 122 0.182 -6.617 -8.187 1.00 75.53 H new ATOM 0 HB2 ASP B 122 -0.568 -8.058 -6.353 1.00 51.45 H new ATOM 0 HB3 ASP B 122 -1.186 -6.683 -5.459 1.00 51.45 H new ATOM 1141 N THR B 123 -1.147 -4.048 -6.498 1.00 54.13 N ATOM 1142 CA THR B 123 -1.878 -2.772 -6.644 1.00 51.20 C ATOM 1143 C THR B 123 -1.049 -1.708 -7.416 1.00 31.20 C ATOM 1144 O THR B 123 -1.612 -0.819 -8.063 1.00 51.13 O ATOM 1145 CB THR B 123 -2.307 -2.209 -5.245 1.00 75.31 C ATOM 1146 OG1 THR B 123 -2.935 -3.244 -4.469 1.00 74.25 O ATOM 1147 CG2 THR B 123 -3.289 -1.031 -5.379 1.00 12.21 C ATOM 0 H THR B 123 -0.970 -4.312 -5.529 1.00 54.13 H new ATOM 0 HA THR B 123 -2.772 -2.986 -7.230 1.00 51.20 H new ATOM 0 HB THR B 123 -1.403 -1.855 -4.749 1.00 75.31 H new ATOM 0 HG1 THR B 123 -2.254 -3.874 -4.152 1.00 74.25 H new ATOM 0 HG21 THR B 123 -3.562 -0.670 -4.387 1.00 12.21 H new ATOM 0 HG22 THR B 123 -2.816 -0.226 -5.941 1.00 12.21 H new ATOM 0 HG23 THR B 123 -4.185 -1.362 -5.903 1.00 12.21 H new ATOM 1155 N ASN B 124 0.292 -1.835 -7.361 1.00 35.33 N ATOM 1156 CA ASN B 124 1.220 -0.944 -8.077 1.00 34.32 C ATOM 1157 C ASN B 124 1.170 -1.216 -9.589 1.00 54.40 C ATOM 1158 O ASN B 124 1.162 -0.268 -10.379 1.00 64.25 O ATOM 1159 CB ASN B 124 2.677 -1.087 -7.536 1.00 34.22 C ATOM 1160 CG ASN B 124 2.958 -0.340 -6.218 1.00 15.32 C ATOM 1161 OD1 ASN B 124 1.989 -0.279 -5.311 1.00 35.52 O flip ATOM 1162 ND2 ASN B 124 4.066 0.159 -6.008 1.00 42.12 N flip ATOM 0 H ASN B 124 0.760 -2.560 -6.817 1.00 35.33 H new ATOM 0 HA ASN B 124 0.902 0.083 -7.900 1.00 34.32 H new ATOM 0 HB2 ASN B 124 2.892 -2.145 -7.389 1.00 34.22 H new ATOM 0 HB3 ASN B 124 3.368 -0.724 -8.297 1.00 34.22 H new ATOM 0 HD21 ASN B 124 4.795 0.100 -6.719 1.00 42.12 H new ATOM 0 HD22 ASN B 124 4.253 0.631 -5.123 1.00 42.12 H new ATOM 1169 N MET B 125 1.127 -2.511 -9.995 1.00 41.04 N ATOM 1170 CA MET B 125 1.075 -2.874 -11.425 1.00 4.51 C ATOM 1171 C MET B 125 -0.328 -2.591 -11.998 1.00 0.24 C ATOM 1172 O MET B 125 -0.468 -2.322 -13.193 1.00 71.11 O ATOM 1173 CB MET B 125 1.497 -4.352 -11.665 1.00 31.14 C ATOM 1174 CG MET B 125 0.483 -5.413 -11.229 1.00 35.33 C ATOM 1175 SD MET B 125 1.033 -7.106 -11.549 1.00 51.21 S ATOM 1176 CE MET B 125 2.243 -7.339 -10.247 1.00 1.53 C ATOM 0 H MET B 125 1.127 -3.308 -9.358 1.00 41.04 H new ATOM 0 HA MET B 125 1.797 -2.252 -11.954 1.00 4.51 H new ATOM 0 HB2 MET B 125 1.699 -4.484 -12.728 1.00 31.14 H new ATOM 0 HB3 MET B 125 2.434 -4.533 -11.138 1.00 31.14 H new ATOM 0 HG2 MET B 125 0.284 -5.299 -10.163 1.00 35.33 H new ATOM 0 HG3 MET B 125 -0.459 -5.240 -11.749 1.00 35.33 H new ATOM 0 HE1 MET B 125 3.099 -7.888 -10.640 1.00 1.53 H new ATOM 0 HE2 MET B 125 2.573 -6.368 -9.879 1.00 1.53 H new ATOM 0 HE3 MET B 125 1.794 -7.903 -9.430 1.00 1.53 H new ATOM 1186 N GLU B 126 -1.359 -2.637 -11.122 1.00 33.20 N ATOM 1187 CA GLU B 126 -2.730 -2.259 -11.492 1.00 13.30 C ATOM 1188 C GLU B 126 -2.786 -0.741 -11.745 1.00 30.45 C ATOM 1189 O GLU B 126 -3.383 -0.290 -12.711 1.00 5.13 O ATOM 1190 CB GLU B 126 -3.745 -2.642 -10.384 1.00 12.25 C ATOM 1191 CG GLU B 126 -3.723 -4.106 -9.910 1.00 62.40 C ATOM 1192 CD GLU B 126 -4.058 -5.129 -11.001 1.00 21.25 C ATOM 1193 OE1 GLU B 126 -5.250 -5.459 -11.175 1.00 72.21 O ATOM 1194 OE2 GLU B 126 -3.135 -5.607 -11.698 1.00 31.12 O ATOM 0 H GLU B 126 -1.259 -2.935 -10.151 1.00 33.20 H new ATOM 0 HA GLU B 126 -3.003 -2.802 -12.397 1.00 13.30 H new ATOM 0 HB2 GLU B 126 -3.566 -2.001 -9.521 1.00 12.25 H new ATOM 0 HB3 GLU B 126 -4.748 -2.416 -10.747 1.00 12.25 H new ATOM 0 HG2 GLU B 126 -2.735 -4.331 -9.509 1.00 62.40 H new ATOM 0 HG3 GLU B 126 -4.433 -4.221 -9.091 1.00 62.40 H new ATOM 1201 N LEU B 127 -2.120 0.035 -10.860 1.00 70.02 N ATOM 1202 CA LEU B 127 -2.008 1.506 -10.986 1.00 63.25 C ATOM 1203 C LEU B 127 -1.250 1.869 -12.285 1.00 43.14 C ATOM 1204 O LEU B 127 -1.607 2.836 -12.967 1.00 1.13 O ATOM 1205 CB LEU B 127 -1.324 2.092 -9.705 1.00 20.50 C ATOM 1206 CG LEU B 127 -1.236 3.663 -9.553 1.00 14.33 C ATOM 1207 CD1 LEU B 127 -1.083 4.062 -8.077 1.00 32.13 C ATOM 1208 CD2 LEU B 127 -0.078 4.294 -10.374 1.00 42.43 C ATOM 0 H LEU B 127 -1.645 -0.341 -10.039 1.00 70.02 H new ATOM 0 HA LEU B 127 -2.999 1.954 -11.060 1.00 63.25 H new ATOM 0 HB2 LEU B 127 -1.857 1.704 -8.837 1.00 20.50 H new ATOM 0 HB3 LEU B 127 -0.309 1.696 -9.660 1.00 20.50 H new ATOM 0 HG LEU B 127 -2.173 4.052 -9.952 1.00 14.33 H new ATOM 0 HD11 LEU B 127 -1.025 5.148 -7.998 1.00 32.13 H new ATOM 0 HD12 LEU B 127 -1.943 3.703 -7.512 1.00 32.13 H new ATOM 0 HD13 LEU B 127 -0.173 3.619 -7.673 1.00 32.13 H new ATOM 0 HD21 LEU B 127 -0.073 5.374 -10.226 1.00 42.43 H new ATOM 0 HD22 LEU B 127 0.873 3.878 -10.041 1.00 42.43 H new ATOM 0 HD23 LEU B 127 -0.220 4.074 -11.432 1.00 42.43 H new ATOM 1220 N THR B 128 -0.210 1.074 -12.610 1.00 41.33 N ATOM 1221 CA THR B 128 0.577 1.222 -13.849 1.00 71.04 C ATOM 1222 C THR B 128 -0.296 0.947 -15.095 1.00 2.14 C ATOM 1223 O THR B 128 -0.144 1.617 -16.122 1.00 20.40 O ATOM 1224 CB THR B 128 1.830 0.281 -13.822 1.00 54.12 C ATOM 1225 OG1 THR B 128 2.685 0.666 -12.733 1.00 34.20 O ATOM 1226 CG2 THR B 128 2.638 0.304 -15.134 1.00 71.33 C ATOM 0 H THR B 128 0.108 0.308 -12.017 1.00 41.33 H new ATOM 0 HA THR B 128 0.927 2.252 -13.909 1.00 71.04 H new ATOM 0 HB THR B 128 1.461 -0.737 -13.694 1.00 54.12 H new ATOM 0 HG1 THR B 128 2.280 0.388 -11.885 1.00 34.20 H new ATOM 0 HG21 THR B 128 3.491 -0.369 -15.048 1.00 71.33 H new ATOM 0 HG22 THR B 128 2.003 -0.020 -15.958 1.00 71.33 H new ATOM 0 HG23 THR B 128 2.993 1.317 -15.325 1.00 71.33 H new ATOM 1234 N ASP B 129 -1.222 -0.027 -14.976 1.00 62.51 N ATOM 1235 CA ASP B 129 -2.216 -0.325 -16.025 1.00 22.12 C ATOM 1236 C ASP B 129 -3.129 0.889 -16.239 1.00 3.33 C ATOM 1237 O ASP B 129 -3.349 1.306 -17.373 1.00 33.41 O ATOM 1238 CB ASP B 129 -3.059 -1.570 -15.640 1.00 42.34 C ATOM 1239 CG ASP B 129 -4.230 -1.853 -16.605 1.00 13.12 C ATOM 1240 OD1 ASP B 129 -4.021 -2.534 -17.629 1.00 71.03 O ATOM 1241 OD2 ASP B 129 -5.363 -1.391 -16.345 1.00 51.11 O ATOM 0 H ASP B 129 -1.301 -0.626 -14.154 1.00 62.51 H new ATOM 0 HA ASP B 129 -1.689 -0.542 -16.954 1.00 22.12 H new ATOM 0 HB2 ASP B 129 -2.407 -2.443 -15.609 1.00 42.34 H new ATOM 0 HB3 ASP B 129 -3.455 -1.432 -14.634 1.00 42.34 H new ATOM 1246 N LEU B 130 -3.633 1.448 -15.122 1.00 31.14 N ATOM 1247 CA LEU B 130 -4.526 2.614 -15.138 1.00 33.23 C ATOM 1248 C LEU B 130 -3.859 3.835 -15.788 1.00 32.31 C ATOM 1249 O LEU B 130 -4.529 4.589 -16.506 1.00 41.24 O ATOM 1250 CB LEU B 130 -5.046 2.949 -13.703 1.00 51.40 C ATOM 1251 CG LEU B 130 -6.390 2.275 -13.284 1.00 44.32 C ATOM 1252 CD1 LEU B 130 -7.484 2.555 -14.329 1.00 35.11 C ATOM 1253 CD2 LEU B 130 -6.241 0.765 -13.017 1.00 53.12 C ATOM 0 H LEU B 130 -3.430 1.101 -14.185 1.00 31.14 H new ATOM 0 HA LEU B 130 -5.388 2.352 -15.752 1.00 33.23 H new ATOM 0 HB2 LEU B 130 -4.279 2.660 -12.984 1.00 51.40 H new ATOM 0 HB3 LEU B 130 -5.165 4.030 -13.625 1.00 51.40 H new ATOM 0 HG LEU B 130 -6.692 2.723 -12.337 1.00 44.32 H new ATOM 0 HD11 LEU B 130 -8.414 2.077 -14.020 1.00 35.11 H new ATOM 0 HD12 LEU B 130 -7.640 3.631 -14.414 1.00 35.11 H new ATOM 0 HD13 LEU B 130 -7.175 2.156 -15.295 1.00 35.11 H new ATOM 0 HD21 LEU B 130 -7.207 0.349 -12.729 1.00 53.12 H new ATOM 0 HD22 LEU B 130 -5.887 0.269 -13.921 1.00 53.12 H new ATOM 0 HD23 LEU B 130 -5.524 0.607 -12.212 1.00 53.12 H new ATOM 1265 N LYS B 131 -2.542 4.018 -15.534 1.00 75.14 N ATOM 1266 CA LYS B 131 -1.758 5.064 -16.200 1.00 62.30 C ATOM 1267 C LYS B 131 -1.765 4.826 -17.691 1.00 73.54 C ATOM 1268 O LYS B 131 -2.158 5.695 -18.446 1.00 41.00 O ATOM 1269 CB LYS B 131 -0.286 5.108 -15.734 1.00 44.14 C ATOM 1270 CG LYS B 131 -0.077 5.499 -14.273 1.00 55.31 C ATOM 1271 CD LYS B 131 1.369 5.990 -13.984 1.00 44.10 C ATOM 1272 CE LYS B 131 2.418 4.853 -13.863 1.00 63.23 C ATOM 1273 NZ LYS B 131 2.740 4.198 -15.166 1.00 32.11 N ATOM 0 H LYS B 131 -2.009 3.453 -14.873 1.00 75.14 H new ATOM 0 HA LYS B 131 -2.225 6.014 -15.939 1.00 62.30 H new ATOM 0 HB2 LYS B 131 0.160 4.127 -15.898 1.00 44.14 H new ATOM 0 HB3 LYS B 131 0.256 5.814 -16.363 1.00 44.14 H new ATOM 0 HG2 LYS B 131 -0.783 6.286 -14.007 1.00 55.31 H new ATOM 0 HG3 LYS B 131 -0.299 4.642 -13.637 1.00 55.31 H new ATOM 0 HD2 LYS B 131 1.676 6.668 -14.780 1.00 44.10 H new ATOM 0 HD3 LYS B 131 1.366 6.566 -13.059 1.00 44.10 H new ATOM 0 HE2 LYS B 131 3.334 5.259 -13.433 1.00 63.23 H new ATOM 0 HE3 LYS B 131 2.047 4.099 -13.169 1.00 63.23 H new ATOM 0 HZ1 LYS B 131 3.726 3.869 -15.155 1.00 32.11 H new ATOM 0 HZ2 LYS B 131 2.106 3.387 -15.313 1.00 32.11 H new ATOM 0 HZ3 LYS B 131 2.612 4.882 -15.939 1.00 32.11 H new ATOM 1287 N LEU B 132 -1.340 3.608 -18.072 1.00 21.35 N ATOM 1288 CA LEU B 132 -1.197 3.195 -19.482 1.00 24.45 C ATOM 1289 C LEU B 132 -2.485 3.453 -20.277 1.00 72.11 C ATOM 1290 O LEU B 132 -2.422 3.914 -21.414 1.00 22.21 O ATOM 1291 CB LEU B 132 -0.768 1.706 -19.582 1.00 41.22 C ATOM 1292 CG LEU B 132 -0.521 1.151 -21.027 1.00 65.20 C ATOM 1293 CD1 LEU B 132 0.523 1.987 -21.799 1.00 50.12 C ATOM 1294 CD2 LEU B 132 -0.117 -0.335 -20.985 1.00 32.34 C ATOM 0 H LEU B 132 -1.084 2.878 -17.407 1.00 21.35 H new ATOM 0 HA LEU B 132 -0.410 3.805 -19.927 1.00 24.45 H new ATOM 0 HB2 LEU B 132 0.146 1.574 -19.004 1.00 41.22 H new ATOM 0 HB3 LEU B 132 -1.537 1.096 -19.108 1.00 41.22 H new ATOM 0 HG LEU B 132 -1.463 1.234 -21.569 1.00 65.20 H new ATOM 0 HD11 LEU B 132 0.662 1.566 -22.795 1.00 50.12 H new ATOM 0 HD12 LEU B 132 0.173 3.016 -21.886 1.00 50.12 H new ATOM 0 HD13 LEU B 132 1.472 1.970 -21.262 1.00 50.12 H new ATOM 0 HD21 LEU B 132 0.049 -0.696 -22.000 1.00 32.34 H new ATOM 0 HD22 LEU B 132 0.800 -0.447 -20.406 1.00 32.34 H new ATOM 0 HD23 LEU B 132 -0.913 -0.915 -20.519 1.00 32.34 H new ATOM 1306 N GLN B 133 -3.645 3.203 -19.645 1.00 63.55 N ATOM 1307 CA GLN B 133 -4.952 3.438 -20.267 1.00 35.54 C ATOM 1308 C GLN B 133 -5.219 4.947 -20.439 1.00 45.35 C ATOM 1309 O GLN B 133 -5.839 5.341 -21.407 1.00 64.52 O ATOM 1310 CB GLN B 133 -6.088 2.798 -19.444 1.00 42.13 C ATOM 1311 CG GLN B 133 -5.974 1.291 -19.215 1.00 61.14 C ATOM 1312 CD GLN B 133 -7.178 0.732 -18.465 1.00 34.12 C ATOM 1313 OE1 GLN B 133 -7.203 0.915 -17.162 1.00 62.32 O flip ATOM 1314 NE2 GLN B 133 -8.119 0.219 -19.066 1.00 21.51 N flip ATOM 0 H GLN B 133 -3.699 2.835 -18.695 1.00 63.55 H new ATOM 0 HA GLN B 133 -4.930 2.969 -21.251 1.00 35.54 H new ATOM 0 HB2 GLN B 133 -6.131 3.292 -18.473 1.00 42.13 H new ATOM 0 HB3 GLN B 133 -7.034 3.000 -19.947 1.00 42.13 H new ATOM 0 HG2 GLN B 133 -5.879 0.785 -20.176 1.00 61.14 H new ATOM 0 HG3 GLN B 133 -5.066 1.078 -18.651 1.00 61.14 H new ATOM 0 HE21 GLN B 133 -8.069 0.091 -20.077 1.00 21.51 H new ATOM 0 HE22 GLN B 133 -8.950 -0.078 -18.554 1.00 21.51 H new ATOM 1323 N LEU B 134 -4.783 5.776 -19.464 1.00 14.21 N ATOM 1324 CA LEU B 134 -4.855 7.259 -19.566 1.00 41.31 C ATOM 1325 C LEU B 134 -3.999 7.763 -20.757 1.00 74.44 C ATOM 1326 O LEU B 134 -4.399 8.678 -21.490 1.00 34.42 O ATOM 1327 CB LEU B 134 -4.369 7.921 -18.237 1.00 30.51 C ATOM 1328 CG LEU B 134 -5.268 7.719 -16.972 1.00 35.15 C ATOM 1329 CD1 LEU B 134 -4.501 8.050 -15.671 1.00 22.14 C ATOM 1330 CD2 LEU B 134 -6.564 8.554 -17.069 1.00 41.11 C ATOM 0 H LEU B 134 -4.374 5.444 -18.590 1.00 14.21 H new ATOM 0 HA LEU B 134 -5.894 7.541 -19.738 1.00 41.31 H new ATOM 0 HB2 LEU B 134 -3.375 7.536 -18.011 1.00 30.51 H new ATOM 0 HB3 LEU B 134 -4.264 8.992 -18.411 1.00 30.51 H new ATOM 0 HG LEU B 134 -5.544 6.665 -16.937 1.00 35.15 H new ATOM 0 HD11 LEU B 134 -5.157 7.898 -14.814 1.00 22.14 H new ATOM 0 HD12 LEU B 134 -3.633 7.397 -15.584 1.00 22.14 H new ATOM 0 HD13 LEU B 134 -4.172 9.089 -15.697 1.00 22.14 H new ATOM 0 HD21 LEU B 134 -7.168 8.393 -16.176 1.00 41.11 H new ATOM 0 HD22 LEU B 134 -6.311 9.611 -17.150 1.00 41.11 H new ATOM 0 HD23 LEU B 134 -7.129 8.248 -17.949 1.00 41.11 H new