USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=19 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= -1.68! C(o=-2.7!,f=-0.47!) USER MOD Set 1.2: B 123 THR OG1 : rot 68:sc= 1.22 USER MOD Set 2.1: A 13 ASN : amide:sc= 0.466 K(o=0.88,f=-1.5) USER MOD Set 2.2: A 17 LYS NZ :NH3+ -169:sc= 0.412 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 167:sc= -0.115 (180deg=-0.419) 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= 0.331 X(o=0.33,f=-0.096) USER MOD Single : A 15 LYS NZ :NH3+ 142:sc= 1.1 (180deg=-0.0445) USER MOD Single : A 19 GLN : amide:sc= -0.968 K(o=-0.97,f=-2.2) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 75:sc= 1.28 USER MOD Single : A 25 MET CE :methyl -119:sc= -0.173 (180deg=-1.72!) USER MOD Single : A 28 THR OG1 : rot 69:sc= 0.667 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.25 F(o=-1.9!,f=-0.25) USER MOD Single : B 103 LYS NZ :NH3+ 165:sc= -0.294 (180deg=-0.63) 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= -0.508 X(o=-0.51,f=-0.076) USER MOD Single : B 113 ASN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : B 115 LYS NZ :NH3+ -165:sc= 1.07 (180deg=0.872) USER MOD Single : B 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 119 GLN : amide:sc= -3.28! C(o=-3.3!,f=-4.1!) USER MOD Single : B 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 124 ASN :FLIP amide:sc= -1.13 F(o=-3.7!,f=-1.1) USER MOD Single : B 125 MET CE :methyl -120:sc= -0.786 (180deg=-1.49!) USER MOD Single : B 128 THR OG1 : rot 68:sc= 1.25 USER MOD Single : B 131 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0168) USER MOD Single : B 133 GLN :FLIP amide:sc= -0.125 F(o=-1.1,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 3 9.972 -7.063 22.166 1.00 35.11 N ATOM 36 CA LYS A 3 9.279 -5.750 22.192 1.00 74.10 C ATOM 37 C LYS A 3 9.590 -4.934 20.907 1.00 2.11 C ATOM 38 O LYS A 3 8.695 -4.332 20.289 1.00 54.13 O ATOM 39 CB LYS A 3 9.630 -4.921 23.479 1.00 33.42 C ATOM 40 CG LYS A 3 10.988 -4.156 23.473 1.00 24.31 C ATOM 41 CD LYS A 3 12.258 -5.050 23.614 1.00 12.32 C ATOM 42 CE LYS A 3 12.686 -5.275 25.080 1.00 22.35 C ATOM 43 NZ LYS A 3 11.677 -6.012 25.888 1.00 21.21 N ATOM 0 HA LYS A 3 8.208 -5.953 22.222 1.00 74.10 H new ATOM 0 HB2 LYS A 3 8.833 -4.197 23.644 1.00 33.42 H new ATOM 0 HB3 LYS A 3 9.626 -5.600 24.332 1.00 33.42 H new ATOM 0 HG2 LYS A 3 11.063 -3.591 22.544 1.00 24.31 H new ATOM 0 HG3 LYS A 3 10.982 -3.432 24.288 1.00 24.31 H new ATOM 0 HD2 LYS A 3 12.068 -6.016 23.146 1.00 12.32 H new ATOM 0 HD3 LYS A 3 13.081 -4.588 23.069 1.00 12.32 H new ATOM 0 HE2 LYS A 3 13.625 -5.828 25.095 1.00 22.35 H new ATOM 0 HE3 LYS A 3 12.877 -4.309 25.546 1.00 22.35 H new ATOM 0 HZ1 LYS A 3 12.107 -6.321 26.783 1.00 21.21 H new ATOM 0 HZ2 LYS A 3 10.870 -5.388 26.089 1.00 21.21 H new ATOM 0 HZ3 LYS A 3 11.348 -6.844 25.357 1.00 21.21 H new ATOM 57 N LYS A 4 10.863 -4.997 20.482 1.00 73.34 N ATOM 58 CA LYS A 4 11.368 -4.190 19.375 1.00 20.52 C ATOM 59 C LYS A 4 11.056 -4.864 18.034 1.00 15.14 C ATOM 60 O LYS A 4 10.813 -4.175 17.070 1.00 60.11 O ATOM 61 CB LYS A 4 12.891 -3.943 19.516 1.00 42.23 C ATOM 62 CG LYS A 4 13.775 -5.209 19.332 1.00 25.51 C ATOM 63 CD LYS A 4 14.872 -5.041 18.248 1.00 25.12 C ATOM 64 CE LYS A 4 15.322 -6.384 17.660 1.00 5.14 C ATOM 65 NZ LYS A 4 16.533 -6.252 16.813 1.00 2.22 N ATOM 0 H LYS A 4 11.564 -5.609 20.899 1.00 73.34 H new ATOM 0 HA LYS A 4 10.865 -3.224 19.405 1.00 20.52 H new ATOM 0 HB2 LYS A 4 13.193 -3.196 18.782 1.00 42.23 H new ATOM 0 HB3 LYS A 4 13.087 -3.520 20.501 1.00 42.23 H new ATOM 0 HG2 LYS A 4 14.248 -5.454 20.283 1.00 25.51 H new ATOM 0 HG3 LYS A 4 13.138 -6.053 19.066 1.00 25.51 H new ATOM 0 HD2 LYS A 4 14.494 -4.405 17.447 1.00 25.12 H new ATOM 0 HD3 LYS A 4 15.732 -4.530 18.681 1.00 25.12 H new ATOM 0 HE2 LYS A 4 15.524 -7.084 18.471 1.00 5.14 H new ATOM 0 HE3 LYS A 4 14.512 -6.808 17.067 1.00 5.14 H new ATOM 0 HZ1 LYS A 4 16.798 -7.185 16.439 1.00 2.22 H new ATOM 0 HZ2 LYS A 4 16.335 -5.605 16.023 1.00 2.22 H new ATOM 0 HZ3 LYS A 4 17.316 -5.873 17.383 1.00 2.22 H new ATOM 79 N LEU A 5 11.047 -6.227 17.980 1.00 33.31 N ATOM 80 CA LEU A 5 10.742 -6.971 16.725 1.00 2.24 C ATOM 81 C LEU A 5 9.288 -6.727 16.342 1.00 71.13 C ATOM 82 O LEU A 5 8.945 -6.625 15.151 1.00 32.33 O ATOM 83 CB LEU A 5 10.967 -8.505 16.844 1.00 62.14 C ATOM 84 CG LEU A 5 10.664 -9.330 15.531 1.00 2.42 C ATOM 85 CD1 LEU A 5 11.775 -9.160 14.473 1.00 70.34 C ATOM 86 CD2 LEU A 5 10.371 -10.818 15.829 1.00 51.11 C ATOM 0 H LEU A 5 11.245 -6.826 18.782 1.00 33.31 H new ATOM 0 HA LEU A 5 11.430 -6.599 15.966 1.00 2.24 H new ATOM 0 HB2 LEU A 5 12.002 -8.683 17.136 1.00 62.14 H new ATOM 0 HB3 LEU A 5 10.339 -8.888 17.648 1.00 62.14 H new ATOM 0 HG LEU A 5 9.752 -8.913 15.104 1.00 2.42 H new ATOM 0 HD11 LEU A 5 11.526 -9.744 13.587 1.00 70.34 H new ATOM 0 HD12 LEU A 5 11.861 -8.108 14.202 1.00 70.34 H new ATOM 0 HD13 LEU A 5 12.723 -9.508 14.882 1.00 70.34 H new ATOM 0 HD21 LEU A 5 10.169 -11.343 14.895 1.00 51.11 H new ATOM 0 HD22 LEU A 5 11.235 -11.268 16.319 1.00 51.11 H new ATOM 0 HD23 LEU A 5 9.503 -10.894 16.483 1.00 51.11 H new ATOM 98 N TYR A 6 8.449 -6.622 17.392 1.00 72.10 N ATOM 99 CA TYR A 6 7.053 -6.238 17.264 1.00 63.25 C ATOM 100 C TYR A 6 6.963 -4.889 16.545 1.00 31.13 C ATOM 101 O TYR A 6 6.161 -4.727 15.647 1.00 60.00 O ATOM 102 CB TYR A 6 6.368 -6.180 18.657 1.00 73.21 C ATOM 103 CG TYR A 6 4.833 -6.203 18.574 1.00 45.42 C ATOM 104 CD1 TYR A 6 4.148 -7.415 18.628 1.00 0.20 C ATOM 105 CD2 TYR A 6 4.074 -5.040 18.391 1.00 23.34 C ATOM 106 CE1 TYR A 6 2.776 -7.480 18.503 1.00 60.53 C ATOM 107 CE2 TYR A 6 2.694 -5.100 18.273 1.00 31.54 C ATOM 108 CZ TYR A 6 2.049 -6.320 18.330 1.00 64.03 C ATOM 109 OH TYR A 6 0.672 -6.377 18.201 1.00 33.23 O ATOM 0 H TYR A 6 8.735 -6.805 18.354 1.00 72.10 H new ATOM 0 HA TYR A 6 6.525 -6.987 16.674 1.00 63.25 H new ATOM 0 HB2 TYR A 6 6.706 -7.024 19.257 1.00 73.21 H new ATOM 0 HB3 TYR A 6 6.685 -5.274 19.174 1.00 73.21 H new ATOM 0 HD1 TYR A 6 4.706 -8.328 18.772 1.00 0.20 H new ATOM 0 HD2 TYR A 6 4.571 -4.083 18.341 1.00 23.34 H new ATOM 0 HE1 TYR A 6 2.273 -8.435 18.540 1.00 60.53 H new ATOM 0 HE2 TYR A 6 2.124 -4.193 18.137 1.00 31.54 H new ATOM 0 HH TYR A 6 0.316 -5.471 18.088 1.00 33.23 H new ATOM 119 N GLU A 7 7.846 -3.960 16.943 1.00 41.53 N ATOM 120 CA GLU A 7 7.979 -2.648 16.304 1.00 51.34 C ATOM 121 C GLU A 7 8.584 -2.730 14.886 1.00 54.44 C ATOM 122 O GLU A 7 8.127 -2.014 14.011 1.00 4.01 O ATOM 123 CB GLU A 7 8.826 -1.714 17.202 1.00 44.12 C ATOM 124 CG GLU A 7 8.130 -1.331 18.518 1.00 54.51 C ATOM 125 CD GLU A 7 8.985 -0.422 19.403 1.00 31.11 C ATOM 126 OE1 GLU A 7 8.650 0.776 19.558 1.00 72.21 O ATOM 127 OE2 GLU A 7 10.013 -0.902 19.933 1.00 72.33 O ATOM 0 H GLU A 7 8.490 -4.102 17.721 1.00 41.53 H new ATOM 0 HA GLU A 7 6.975 -2.240 16.188 1.00 51.34 H new ATOM 0 HB2 GLU A 7 9.773 -2.203 17.430 1.00 44.12 H new ATOM 0 HB3 GLU A 7 9.062 -0.806 16.647 1.00 44.12 H new ATOM 0 HG2 GLU A 7 7.189 -0.829 18.292 1.00 54.51 H new ATOM 0 HG3 GLU A 7 7.883 -2.238 19.070 1.00 54.51 H new ATOM 134 N GLN A 8 9.597 -3.604 14.669 1.00 21.24 N ATOM 135 CA GLN A 8 10.350 -3.660 13.383 1.00 63.12 C ATOM 136 C GLN A 8 9.431 -4.051 12.216 1.00 13.34 C ATOM 137 O GLN A 8 9.261 -3.267 11.262 1.00 54.10 O ATOM 138 CB GLN A 8 11.572 -4.631 13.443 1.00 70.54 C ATOM 139 CG GLN A 8 12.588 -4.350 14.573 1.00 34.21 C ATOM 140 CD GLN A 8 12.926 -2.862 14.750 1.00 2.31 C ATOM 141 OE1 GLN A 8 13.878 -2.355 14.160 1.00 41.31 O ATOM 142 NE2 GLN A 8 12.122 -2.157 15.545 1.00 42.12 N ATOM 0 H GLN A 8 9.914 -4.280 15.364 1.00 21.24 H new ATOM 0 HA GLN A 8 10.735 -2.654 13.214 1.00 63.12 H new ATOM 0 HB2 GLN A 8 11.200 -5.649 13.557 1.00 70.54 H new ATOM 0 HB3 GLN A 8 12.096 -4.588 12.488 1.00 70.54 H new ATOM 0 HG2 GLN A 8 12.189 -4.736 15.511 1.00 34.21 H new ATOM 0 HG3 GLN A 8 13.507 -4.899 14.367 1.00 34.21 H new ATOM 0 HE21 GLN A 8 11.342 -2.615 16.017 1.00 42.12 H new ATOM 0 HE22 GLN A 8 12.286 -1.160 15.681 1.00 42.12 H new ATOM 151 N ILE A 9 8.844 -5.270 12.303 1.00 73.33 N ATOM 152 CA ILE A 9 7.898 -5.769 11.294 1.00 71.23 C ATOM 153 C ILE A 9 6.680 -4.820 11.148 1.00 4.21 C ATOM 154 O ILE A 9 6.310 -4.454 10.033 1.00 61.32 O ATOM 155 CB ILE A 9 7.345 -7.204 11.626 1.00 63.33 C ATOM 156 CG1 ILE A 9 8.416 -8.146 12.255 1.00 63.43 C ATOM 157 CG2 ILE A 9 6.756 -7.838 10.343 1.00 52.42 C ATOM 158 CD1 ILE A 9 7.825 -9.440 12.785 1.00 44.32 C ATOM 0 H ILE A 9 9.015 -5.923 13.068 1.00 73.33 H new ATOM 0 HA ILE A 9 8.468 -5.814 10.366 1.00 71.23 H new ATOM 0 HB ILE A 9 6.566 -7.083 12.379 1.00 63.33 H new ATOM 0 HG12 ILE A 9 9.173 -8.378 11.506 1.00 63.43 H new ATOM 0 HG13 ILE A 9 8.921 -7.623 13.067 1.00 63.43 H new ATOM 0 HG21 ILE A 9 6.372 -8.832 10.572 1.00 52.42 H new ATOM 0 HG22 ILE A 9 5.945 -7.214 9.968 1.00 52.42 H new ATOM 0 HG23 ILE A 9 7.535 -7.915 9.585 1.00 52.42 H new ATOM 0 HD11 ILE A 9 8.618 -10.055 13.211 1.00 44.32 H new ATOM 0 HD12 ILE A 9 7.088 -9.215 13.555 1.00 44.32 H new ATOM 0 HD13 ILE A 9 7.344 -9.981 11.970 1.00 44.32 H new ATOM 170 N LEU A 10 6.062 -4.453 12.301 1.00 31.04 N ATOM 171 CA LEU A 10 4.826 -3.636 12.339 1.00 3.35 C ATOM 172 C LEU A 10 5.047 -2.183 11.868 1.00 43.12 C ATOM 173 O LEU A 10 4.095 -1.528 11.452 1.00 63.50 O ATOM 174 CB LEU A 10 4.200 -3.640 13.753 1.00 73.43 C ATOM 175 CG LEU A 10 2.698 -3.224 13.847 1.00 5.43 C ATOM 176 CD1 LEU A 10 1.769 -4.278 13.188 1.00 25.22 C ATOM 177 CD2 LEU A 10 2.288 -2.926 15.306 1.00 2.54 C ATOM 0 H LEU A 10 6.407 -4.715 13.225 1.00 31.04 H new ATOM 0 HA LEU A 10 4.136 -4.103 11.636 1.00 3.35 H new ATOM 0 HB2 LEU A 10 4.304 -4.642 14.170 1.00 73.43 H new ATOM 0 HB3 LEU A 10 4.781 -2.969 14.386 1.00 73.43 H new ATOM 0 HG LEU A 10 2.578 -2.299 13.282 1.00 5.43 H new ATOM 0 HD11 LEU A 10 0.732 -3.953 13.274 1.00 25.22 H new ATOM 0 HD12 LEU A 10 2.030 -4.385 12.135 1.00 25.22 H new ATOM 0 HD13 LEU A 10 1.892 -5.237 13.692 1.00 25.22 H new ATOM 0 HD21 LEU A 10 1.237 -2.639 15.337 1.00 2.54 H new ATOM 0 HD22 LEU A 10 2.439 -3.817 15.916 1.00 2.54 H new ATOM 0 HD23 LEU A 10 2.898 -2.111 15.696 1.00 2.54 H new ATOM 189 N ALA A 11 6.293 -1.687 11.951 1.00 45.42 N ATOM 190 CA ALA A 11 6.655 -0.350 11.421 1.00 44.25 C ATOM 191 C ALA A 11 6.501 -0.340 9.901 1.00 11.41 C ATOM 192 O ALA A 11 5.920 0.587 9.320 1.00 1.43 O ATOM 193 CB ALA A 11 8.093 0.034 11.809 1.00 23.51 C ATOM 0 H ALA A 11 7.071 -2.188 12.380 1.00 45.42 H new ATOM 0 HA ALA A 11 5.982 0.386 11.860 1.00 44.25 H new ATOM 0 HB1 ALA A 11 8.328 1.019 11.406 1.00 23.51 H new ATOM 0 HB2 ALA A 11 8.183 0.056 12.895 1.00 23.51 H new ATOM 0 HB3 ALA A 11 8.788 -0.700 11.402 1.00 23.51 H new ATOM 199 N GLU A 12 7.036 -1.402 9.272 1.00 53.24 N ATOM 200 CA GLU A 12 6.887 -1.637 7.832 1.00 51.45 C ATOM 201 C GLU A 12 5.406 -1.931 7.495 1.00 22.51 C ATOM 202 O GLU A 12 4.873 -1.372 6.556 1.00 63.32 O ATOM 203 CB GLU A 12 7.794 -2.813 7.382 1.00 72.35 C ATOM 204 CG GLU A 12 7.742 -3.140 5.866 1.00 63.53 C ATOM 205 CD GLU A 12 8.413 -2.130 4.928 1.00 3.54 C ATOM 206 OE1 GLU A 12 8.086 -2.140 3.718 1.00 40.52 O ATOM 207 OE2 GLU A 12 9.276 -1.344 5.367 1.00 52.21 O ATOM 0 H GLU A 12 7.582 -2.118 9.751 1.00 53.24 H new ATOM 0 HA GLU A 12 7.195 -0.741 7.293 1.00 51.45 H new ATOM 0 HB2 GLU A 12 8.824 -2.582 7.653 1.00 72.35 H new ATOM 0 HB3 GLU A 12 7.510 -3.705 7.940 1.00 72.35 H new ATOM 0 HG2 GLU A 12 8.208 -4.113 5.710 1.00 63.53 H new ATOM 0 HG3 GLU A 12 6.697 -3.236 5.573 1.00 63.53 H new ATOM 214 N ASN A 13 4.758 -2.771 8.331 1.00 0.24 N ATOM 215 CA ASN A 13 3.356 -3.242 8.147 1.00 3.02 C ATOM 216 C ASN A 13 2.346 -2.067 8.162 1.00 14.42 C ATOM 217 O ASN A 13 1.401 -2.035 7.362 1.00 10.13 O ATOM 218 CB ASN A 13 3.020 -4.252 9.279 1.00 5.44 C ATOM 219 CG ASN A 13 1.612 -4.858 9.212 1.00 73.23 C ATOM 220 OD1 ASN A 13 0.638 -4.233 9.633 1.00 51.23 O ATOM 221 ND2 ASN A 13 1.493 -6.092 8.732 1.00 73.23 N ATOM 0 H ASN A 13 5.197 -3.151 9.170 1.00 0.24 H new ATOM 0 HA ASN A 13 3.274 -3.722 7.172 1.00 3.02 H new ATOM 0 HB2 ASN A 13 3.749 -5.062 9.251 1.00 5.44 H new ATOM 0 HB3 ASN A 13 3.138 -3.750 10.239 1.00 5.44 H new ATOM 0 HD21 ASN A 13 0.579 -6.543 8.706 1.00 73.23 H new ATOM 0 HD22 ASN A 13 2.316 -6.588 8.389 1.00 73.23 H new ATOM 228 N GLU A 14 2.575 -1.116 9.089 1.00 33.04 N ATOM 229 CA GLU A 14 1.767 0.110 9.237 1.00 13.50 C ATOM 230 C GLU A 14 1.951 0.996 8.007 1.00 30.31 C ATOM 231 O GLU A 14 0.972 1.496 7.434 1.00 62.51 O ATOM 232 CB GLU A 14 2.158 0.890 10.540 1.00 31.13 C ATOM 233 CG GLU A 14 2.035 2.434 10.434 1.00 12.04 C ATOM 234 CD GLU A 14 2.200 3.167 11.768 1.00 22.33 C ATOM 235 OE1 GLU A 14 1.183 3.489 12.419 1.00 44.43 O ATOM 236 OE2 GLU A 14 3.356 3.420 12.168 1.00 63.13 O ATOM 0 H GLU A 14 3.336 -1.179 9.765 1.00 33.04 H new ATOM 0 HA GLU A 14 0.718 -0.172 9.323 1.00 13.50 H new ATOM 0 HB2 GLU A 14 1.526 0.544 11.358 1.00 31.13 H new ATOM 0 HB3 GLU A 14 3.185 0.638 10.803 1.00 31.13 H new ATOM 0 HG2 GLU A 14 2.787 2.801 9.735 1.00 12.04 H new ATOM 0 HG3 GLU A 14 1.061 2.682 10.013 1.00 12.04 H new ATOM 243 N LYS A 15 3.228 1.192 7.629 1.00 74.54 N ATOM 244 CA LYS A 15 3.591 1.948 6.434 1.00 33.53 C ATOM 245 C LYS A 15 2.892 1.357 5.196 1.00 5.42 C ATOM 246 O LYS A 15 2.318 2.089 4.386 1.00 34.42 O ATOM 247 CB LYS A 15 5.124 1.931 6.208 1.00 43.42 C ATOM 248 CG LYS A 15 5.581 2.764 4.980 1.00 24.30 C ATOM 249 CD LYS A 15 6.929 2.309 4.380 1.00 10.43 C ATOM 250 CE LYS A 15 6.795 0.985 3.607 1.00 11.23 C ATOM 251 NZ LYS A 15 8.079 0.582 2.982 1.00 54.33 N ATOM 0 H LYS A 15 4.028 0.829 8.147 1.00 74.54 H new ATOM 0 HA LYS A 15 3.267 2.978 6.582 1.00 33.53 H new ATOM 0 HB2 LYS A 15 5.619 2.314 7.101 1.00 43.42 H new ATOM 0 HB3 LYS A 15 5.452 0.900 6.079 1.00 43.42 H new ATOM 0 HG2 LYS A 15 4.813 2.706 4.208 1.00 24.30 H new ATOM 0 HG3 LYS A 15 5.660 3.811 5.273 1.00 24.30 H new ATOM 0 HD2 LYS A 15 7.309 3.082 3.712 1.00 10.43 H new ATOM 0 HD3 LYS A 15 7.661 2.190 5.179 1.00 10.43 H new ATOM 0 HE2 LYS A 15 6.458 0.201 4.285 1.00 11.23 H new ATOM 0 HE3 LYS A 15 6.032 1.089 2.836 1.00 11.23 H new ATOM 0 HZ1 LYS A 15 8.188 -0.450 3.047 1.00 54.33 H new ATOM 0 HZ2 LYS A 15 8.084 0.869 1.982 1.00 54.33 H new ATOM 0 HZ3 LYS A 15 8.867 1.045 3.478 1.00 54.33 H new ATOM 265 N LEU A 16 2.909 0.005 5.117 1.00 60.22 N ATOM 266 CA LEU A 16 2.325 -0.760 4.007 1.00 15.11 C ATOM 267 C LEU A 16 0.807 -0.616 3.989 1.00 24.13 C ATOM 268 O LEU A 16 0.205 -0.615 2.923 1.00 61.34 O ATOM 269 CB LEU A 16 2.729 -2.257 4.059 1.00 62.12 C ATOM 270 CG LEU A 16 4.237 -2.543 3.809 1.00 35.05 C ATOM 271 CD1 LEU A 16 4.562 -4.050 3.895 1.00 31.21 C ATOM 272 CD2 LEU A 16 4.705 -1.945 2.478 1.00 1.44 C ATOM 0 H LEU A 16 3.334 -0.584 5.833 1.00 60.22 H new ATOM 0 HA LEU A 16 2.726 -0.344 3.083 1.00 15.11 H new ATOM 0 HB2 LEU A 16 2.456 -2.657 5.036 1.00 62.12 H new ATOM 0 HB3 LEU A 16 2.144 -2.801 3.317 1.00 62.12 H new ATOM 0 HG LEU A 16 4.793 -2.051 4.607 1.00 35.05 H new ATOM 0 HD11 LEU A 16 5.626 -4.204 3.714 1.00 31.21 H new ATOM 0 HD12 LEU A 16 4.305 -4.422 4.887 1.00 31.21 H new ATOM 0 HD13 LEU A 16 3.985 -4.590 3.145 1.00 31.21 H new ATOM 0 HD21 LEU A 16 5.763 -2.163 2.333 1.00 1.44 H new ATOM 0 HD22 LEU A 16 4.130 -2.381 1.661 1.00 1.44 H new ATOM 0 HD23 LEU A 16 4.555 -0.865 2.491 1.00 1.44 H new ATOM 284 N LYS A 17 0.214 -0.470 5.182 1.00 73.20 N ATOM 285 CA LYS A 17 -1.232 -0.252 5.351 1.00 30.34 C ATOM 286 C LYS A 17 -1.636 1.115 4.760 1.00 31.33 C ATOM 287 O LYS A 17 -2.686 1.250 4.118 1.00 74.34 O ATOM 288 CB LYS A 17 -1.612 -0.339 6.861 1.00 44.44 C ATOM 289 CG LYS A 17 -3.014 -0.921 7.159 1.00 32.31 C ATOM 290 CD LYS A 17 -3.130 -2.420 6.779 1.00 11.03 C ATOM 291 CE LYS A 17 -2.055 -3.304 7.451 1.00 15.44 C ATOM 292 NZ LYS A 17 -2.116 -3.242 8.935 1.00 12.40 N ATOM 0 H LYS A 17 0.726 -0.500 6.063 1.00 73.20 H new ATOM 0 HA LYS A 17 -1.776 -1.030 4.815 1.00 30.34 H new ATOM 0 HB2 LYS A 17 -0.867 -0.950 7.371 1.00 44.44 H new ATOM 0 HB3 LYS A 17 -1.553 0.661 7.291 1.00 44.44 H new ATOM 0 HG2 LYS A 17 -3.236 -0.801 8.219 1.00 32.31 H new ATOM 0 HG3 LYS A 17 -3.764 -0.352 6.610 1.00 32.31 H new ATOM 0 HD2 LYS A 17 -4.118 -2.784 7.060 1.00 11.03 H new ATOM 0 HD3 LYS A 17 -3.049 -2.521 5.697 1.00 11.03 H new ATOM 0 HE2 LYS A 17 -2.184 -4.337 7.128 1.00 15.44 H new ATOM 0 HE3 LYS A 17 -1.067 -2.987 7.117 1.00 15.44 H new ATOM 0 HZ1 LYS A 17 -1.270 -3.695 9.336 1.00 12.40 H new ATOM 0 HZ2 LYS A 17 -2.154 -2.248 9.240 1.00 12.40 H new ATOM 0 HZ3 LYS A 17 -2.967 -3.739 9.269 1.00 12.40 H new ATOM 306 N ALA A 18 -0.743 2.102 4.949 1.00 13.10 N ATOM 307 CA ALA A 18 -0.961 3.489 4.528 1.00 63.01 C ATOM 308 C ALA A 18 -0.862 3.618 2.999 1.00 44.11 C ATOM 309 O ALA A 18 -1.796 4.095 2.343 1.00 64.24 O ATOM 310 CB ALA A 18 0.071 4.395 5.213 1.00 65.35 C ATOM 0 H ALA A 18 0.158 1.953 5.403 1.00 13.10 H new ATOM 0 HA ALA A 18 -1.964 3.797 4.823 1.00 63.01 H new ATOM 0 HB1 ALA A 18 -0.088 5.428 4.902 1.00 65.35 H new ATOM 0 HB2 ALA A 18 -0.040 4.320 6.295 1.00 65.35 H new ATOM 0 HB3 ALA A 18 1.076 4.081 4.929 1.00 65.35 H new ATOM 316 N GLN A 19 0.285 3.161 2.449 1.00 54.02 N ATOM 317 CA GLN A 19 0.583 3.241 1.009 1.00 63.13 C ATOM 318 C GLN A 19 -0.353 2.364 0.175 1.00 72.01 C ATOM 319 O GLN A 19 -0.682 2.734 -0.951 1.00 52.44 O ATOM 320 CB GLN A 19 2.075 2.889 0.746 1.00 3.14 C ATOM 321 CG GLN A 19 2.564 1.559 1.374 1.00 32.33 C ATOM 322 CD GLN A 19 2.719 0.371 0.413 1.00 41.42 C ATOM 323 OE1 GLN A 19 3.719 0.246 -0.290 1.00 11.11 O ATOM 324 NE2 GLN A 19 1.782 -0.559 0.468 1.00 31.40 N ATOM 0 H GLN A 19 1.029 2.726 2.995 1.00 54.02 H new ATOM 0 HA GLN A 19 0.408 4.269 0.692 1.00 63.13 H new ATOM 0 HB2 GLN A 19 2.236 2.843 -0.331 1.00 3.14 H new ATOM 0 HB3 GLN A 19 2.695 3.701 1.127 1.00 3.14 H new ATOM 0 HG2 GLN A 19 3.526 1.740 1.853 1.00 32.33 H new ATOM 0 HG3 GLN A 19 1.865 1.274 2.160 1.00 32.33 H new ATOM 0 HE21 GLN A 19 0.964 -0.424 1.062 1.00 31.40 H new ATOM 0 HE22 GLN A 19 1.877 -1.412 -0.083 1.00 31.40 H new ATOM 333 N LEU A 20 -0.780 1.196 0.719 1.00 32.45 N ATOM 334 CA LEU A 20 -1.747 0.325 0.009 1.00 14.33 C ATOM 335 C LEU A 20 -3.084 1.032 -0.093 1.00 52.13 C ATOM 336 O LEU A 20 -3.689 1.057 -1.162 1.00 21.22 O ATOM 337 CB LEU A 20 -1.905 -1.086 0.668 1.00 35.22 C ATOM 338 CG LEU A 20 -2.876 -1.306 1.911 1.00 32.31 C ATOM 339 CD1 LEU A 20 -4.358 -1.537 1.501 1.00 3.13 C ATOM 340 CD2 LEU A 20 -2.409 -2.481 2.792 1.00 73.41 C ATOM 0 H LEU A 20 -0.477 0.843 1.627 1.00 32.45 H new ATOM 0 HA LEU A 20 -1.350 0.142 -0.990 1.00 14.33 H new ATOM 0 HB2 LEU A 20 -2.230 -1.770 -0.116 1.00 35.22 H new ATOM 0 HB3 LEU A 20 -0.911 -1.406 0.979 1.00 35.22 H new ATOM 0 HG LEU A 20 -2.827 -0.377 2.479 1.00 32.31 H new ATOM 0 HD11 LEU A 20 -4.965 -1.680 2.395 1.00 3.13 H new ATOM 0 HD12 LEU A 20 -4.722 -0.670 0.950 1.00 3.13 H new ATOM 0 HD13 LEU A 20 -4.427 -2.423 0.870 1.00 3.13 H new ATOM 0 HD21 LEU A 20 -3.095 -2.602 3.630 1.00 73.41 H new ATOM 0 HD22 LEU A 20 -2.394 -3.396 2.200 1.00 73.41 H new ATOM 0 HD23 LEU A 20 -1.407 -2.277 3.169 1.00 73.41 H new ATOM 352 N HIS A 21 -3.526 1.612 1.049 1.00 24.11 N ATOM 353 CA HIS A 21 -4.819 2.298 1.150 1.00 52.41 C ATOM 354 C HIS A 21 -4.856 3.442 0.136 1.00 3.22 C ATOM 355 O HIS A 21 -5.834 3.610 -0.582 1.00 72.15 O ATOM 356 CB HIS A 21 -5.057 2.819 2.597 1.00 25.32 C ATOM 357 CG HIS A 21 -6.454 3.327 2.840 1.00 12.23 C ATOM 358 ND1 HIS A 21 -6.751 4.642 3.138 1.00 15.32 N ATOM 359 CD2 HIS A 21 -7.641 2.678 2.837 1.00 42.43 C ATOM 360 CE1 HIS A 21 -8.052 4.772 3.306 1.00 22.40 C ATOM 361 NE2 HIS A 21 -8.612 3.598 3.129 1.00 52.41 N ATOM 0 H HIS A 21 -2.992 1.613 1.918 1.00 24.11 H new ATOM 0 HA HIS A 21 -5.622 1.596 0.924 1.00 52.41 H new ATOM 0 HB2 HIS A 21 -4.846 2.015 3.302 1.00 25.32 H new ATOM 0 HB3 HIS A 21 -4.348 3.620 2.806 1.00 25.32 H new ATOM 0 HD2 HIS A 21 -7.794 1.627 2.640 1.00 42.43 H new ATOM 0 HE1 HIS A 21 -8.569 5.689 3.548 1.00 22.40 H new ATOM 0 HE2 HIS A 21 -9.611 3.402 3.198 1.00 52.41 H new ATOM 370 N ASP A 22 -3.717 4.145 0.043 1.00 41.33 N ATOM 371 CA ASP A 22 -3.525 5.290 -0.849 1.00 34.35 C ATOM 372 C ASP A 22 -3.563 4.865 -2.334 1.00 61.02 C ATOM 373 O ASP A 22 -4.192 5.540 -3.158 1.00 34.53 O ATOM 374 CB ASP A 22 -2.181 5.981 -0.503 1.00 41.15 C ATOM 375 CG ASP A 22 -1.971 7.301 -1.256 1.00 41.54 C ATOM 376 OD1 ASP A 22 -2.815 8.210 -1.108 1.00 52.41 O ATOM 377 OD2 ASP A 22 -0.968 7.453 -1.980 1.00 23.14 O ATOM 0 H ASP A 22 -2.890 3.926 0.598 1.00 41.33 H new ATOM 0 HA ASP A 22 -4.344 5.994 -0.701 1.00 34.35 H new ATOM 0 HB2 ASP A 22 -2.143 6.172 0.570 1.00 41.15 H new ATOM 0 HB3 ASP A 22 -1.360 5.303 -0.735 1.00 41.15 H new ATOM 382 N THR A 23 -2.909 3.720 -2.654 1.00 63.12 N ATOM 383 CA THR A 23 -2.860 3.182 -4.033 1.00 2.32 C ATOM 384 C THR A 23 -4.243 2.622 -4.448 1.00 70.11 C ATOM 385 O THR A 23 -4.613 2.693 -5.619 1.00 33.05 O ATOM 386 CB THR A 23 -1.762 2.063 -4.221 1.00 61.13 C ATOM 387 OG1 THR A 23 -0.529 2.450 -3.606 1.00 21.31 O ATOM 388 CG2 THR A 23 -1.477 1.769 -5.716 1.00 64.02 C ATOM 0 H THR A 23 -2.407 3.152 -1.972 1.00 63.12 H new ATOM 0 HA THR A 23 -2.587 4.018 -4.677 1.00 2.32 H new ATOM 0 HB THR A 23 -2.160 1.165 -3.748 1.00 61.13 H new ATOM 0 HG1 THR A 23 -0.609 2.367 -2.633 1.00 21.31 H new ATOM 0 HG21 THR A 23 -0.716 0.993 -5.796 1.00 64.02 H new ATOM 0 HG22 THR A 23 -2.392 1.430 -6.201 1.00 64.02 H new ATOM 0 HG23 THR A 23 -1.122 2.677 -6.204 1.00 64.02 H new ATOM 396 N ASN A 24 -5.006 2.084 -3.460 1.00 75.13 N ATOM 397 CA ASN A 24 -6.351 1.504 -3.698 1.00 30.24 C ATOM 398 C ASN A 24 -7.373 2.624 -3.940 1.00 24.13 C ATOM 399 O ASN A 24 -8.260 2.488 -4.794 1.00 31.42 O ATOM 400 CB ASN A 24 -6.830 0.606 -2.515 1.00 43.31 C ATOM 401 CG ASN A 24 -6.160 -0.780 -2.415 1.00 40.32 C ATOM 402 OD1 ASN A 24 -4.858 -0.876 -2.629 1.00 43.24 O flip ATOM 403 ND2 ASN A 24 -6.821 -1.771 -2.109 1.00 15.12 N flip ATOM 0 H ASN A 24 -4.708 2.041 -2.485 1.00 75.13 H new ATOM 0 HA ASN A 24 -6.274 0.871 -4.582 1.00 30.24 H new ATOM 0 HB2 ASN A 24 -6.655 1.142 -1.582 1.00 43.31 H new ATOM 0 HB3 ASN A 24 -7.907 0.463 -2.604 1.00 43.31 H new ATOM 0 HD21 ASN A 24 -7.824 -1.685 -1.946 1.00 15.12 H new ATOM 0 HD22 ASN A 24 -6.366 -2.679 -2.018 1.00 15.12 H new ATOM 410 N MET A 25 -7.246 3.729 -3.175 1.00 71.31 N ATOM 411 CA MET A 25 -8.111 4.902 -3.329 1.00 72.45 C ATOM 412 C MET A 25 -7.947 5.518 -4.718 1.00 25.54 C ATOM 413 O MET A 25 -8.933 5.676 -5.436 1.00 14.34 O ATOM 414 CB MET A 25 -7.829 5.946 -2.222 1.00 4.22 C ATOM 415 CG MET A 25 -8.190 5.491 -0.792 1.00 11.15 C ATOM 416 SD MET A 25 -9.969 5.491 -0.421 1.00 61.12 S ATOM 417 CE MET A 25 -10.507 3.858 -0.957 1.00 21.21 C ATOM 0 H MET A 25 -6.545 3.826 -2.441 1.00 71.31 H new ATOM 0 HA MET A 25 -9.146 4.576 -3.225 1.00 72.45 H new ATOM 0 HB2 MET A 25 -6.771 6.205 -2.249 1.00 4.22 H new ATOM 0 HB3 MET A 25 -8.386 6.855 -2.450 1.00 4.22 H new ATOM 0 HG2 MET A 25 -7.800 4.485 -0.636 1.00 11.15 H new ATOM 0 HG3 MET A 25 -7.684 6.143 -0.080 1.00 11.15 H new ATOM 0 HE1 MET A 25 -11.252 3.961 -1.745 1.00 21.21 H new ATOM 0 HE2 MET A 25 -9.652 3.300 -1.337 1.00 21.21 H new ATOM 0 HE3 MET A 25 -10.943 3.323 -0.113 1.00 21.21 H new ATOM 427 N GLU A 26 -6.692 5.812 -5.117 1.00 51.03 N ATOM 428 CA GLU A 26 -6.414 6.418 -6.432 1.00 22.14 C ATOM 429 C GLU A 26 -6.658 5.428 -7.573 1.00 13.05 C ATOM 430 O GLU A 26 -6.826 5.850 -8.699 1.00 30.01 O ATOM 431 CB GLU A 26 -4.981 6.982 -6.518 1.00 11.11 C ATOM 432 CG GLU A 26 -3.862 5.933 -6.429 1.00 12.13 C ATOM 433 CD GLU A 26 -2.480 6.537 -6.661 1.00 52.40 C ATOM 434 OE1 GLU A 26 -1.711 6.728 -5.688 1.00 73.24 O ATOM 435 OE2 GLU A 26 -2.167 6.853 -7.827 1.00 42.05 O ATOM 0 H GLU A 26 -5.861 5.640 -4.550 1.00 51.03 H new ATOM 0 HA GLU A 26 -7.111 7.249 -6.541 1.00 22.14 H new ATOM 0 HB2 GLU A 26 -4.876 7.524 -7.458 1.00 11.11 H new ATOM 0 HB3 GLU A 26 -4.843 7.707 -5.715 1.00 11.11 H new ATOM 0 HG2 GLU A 26 -3.889 5.459 -5.448 1.00 12.13 H new ATOM 0 HG3 GLU A 26 -4.042 5.150 -7.166 1.00 12.13 H new ATOM 442 N LEU A 27 -6.643 4.111 -7.270 1.00 1.04 N ATOM 443 CA LEU A 27 -7.090 3.070 -8.211 1.00 70.31 C ATOM 444 C LEU A 27 -8.595 3.251 -8.492 1.00 60.31 C ATOM 445 O LEU A 27 -9.017 3.173 -9.642 1.00 71.11 O ATOM 446 CB LEU A 27 -6.754 1.674 -7.611 1.00 24.12 C ATOM 447 CG LEU A 27 -6.935 0.390 -8.503 1.00 5.53 C ATOM 448 CD1 LEU A 27 -6.174 -0.795 -7.878 1.00 30.35 C ATOM 449 CD2 LEU A 27 -8.419 -0.005 -8.721 1.00 62.33 C ATOM 0 H LEU A 27 -6.323 3.746 -6.373 1.00 1.04 H new ATOM 0 HA LEU A 27 -6.572 3.153 -9.166 1.00 70.31 H new ATOM 0 HB2 LEU A 27 -5.715 1.700 -7.281 1.00 24.12 H new ATOM 0 HB3 LEU A 27 -7.368 1.544 -6.720 1.00 24.12 H new ATOM 0 HG LEU A 27 -6.525 0.635 -9.483 1.00 5.53 H new ATOM 0 HD11 LEU A 27 -6.304 -1.680 -8.501 1.00 30.35 H new ATOM 0 HD12 LEU A 27 -5.114 -0.551 -7.810 1.00 30.35 H new ATOM 0 HD13 LEU A 27 -6.565 -0.993 -6.880 1.00 30.35 H new ATOM 0 HD21 LEU A 27 -8.470 -0.898 -9.344 1.00 62.33 H new ATOM 0 HD22 LEU A 27 -8.887 -0.208 -7.758 1.00 62.33 H new ATOM 0 HD23 LEU A 27 -8.944 0.813 -9.215 1.00 62.33 H new ATOM 461 N THR A 28 -9.386 3.503 -7.423 1.00 64.55 N ATOM 462 CA THR A 28 -10.839 3.731 -7.528 1.00 34.02 C ATOM 463 C THR A 28 -11.129 4.982 -8.376 1.00 52.11 C ATOM 464 O THR A 28 -11.959 4.941 -9.299 1.00 40.41 O ATOM 465 CB THR A 28 -11.487 3.880 -6.113 1.00 24.41 C ATOM 466 OG1 THR A 28 -11.093 2.772 -5.291 1.00 13.23 O ATOM 467 CG2 THR A 28 -13.025 3.946 -6.183 1.00 13.50 C ATOM 0 H THR A 28 -9.032 3.553 -6.468 1.00 64.55 H new ATOM 0 HA THR A 28 -11.280 2.863 -8.018 1.00 34.02 H new ATOM 0 HB THR A 28 -11.136 4.818 -5.684 1.00 24.41 H new ATOM 0 HG1 THR A 28 -10.138 2.842 -5.084 1.00 13.23 H new ATOM 0 HG21 THR A 28 -13.431 4.049 -5.177 1.00 13.50 H new ATOM 0 HG22 THR A 28 -13.325 4.803 -6.785 1.00 13.50 H new ATOM 0 HG23 THR A 28 -13.408 3.032 -6.637 1.00 13.50 H new ATOM 475 N ASP A 29 -10.396 6.073 -8.068 1.00 21.32 N ATOM 476 CA ASP A 29 -10.479 7.339 -8.815 1.00 63.52 C ATOM 477 C ASP A 29 -10.121 7.107 -10.285 1.00 43.24 C ATOM 478 O ASP A 29 -10.903 7.444 -11.170 1.00 71.22 O ATOM 479 CB ASP A 29 -9.528 8.418 -8.215 1.00 21.43 C ATOM 480 CG ASP A 29 -9.950 8.899 -6.815 1.00 35.11 C ATOM 481 OD1 ASP A 29 -10.840 9.775 -6.716 1.00 75.31 O ATOM 482 OD2 ASP A 29 -9.399 8.412 -5.809 1.00 3.44 O ATOM 0 H ASP A 29 -9.732 6.098 -7.295 1.00 21.32 H new ATOM 0 HA ASP A 29 -11.504 7.702 -8.738 1.00 63.52 H new ATOM 0 HB2 ASP A 29 -8.518 8.011 -8.162 1.00 21.43 H new ATOM 0 HB3 ASP A 29 -9.492 9.274 -8.889 1.00 21.43 H new ATOM 487 N LEU A 30 -8.941 6.481 -10.512 1.00 31.43 N ATOM 488 CA LEU A 30 -8.374 6.263 -11.856 1.00 24.04 C ATOM 489 C LEU A 30 -9.323 5.455 -12.736 1.00 24.31 C ATOM 490 O LEU A 30 -9.624 5.888 -13.832 1.00 64.02 O ATOM 491 CB LEU A 30 -6.948 5.602 -11.794 1.00 31.12 C ATOM 492 CG LEU A 30 -5.739 6.558 -12.079 1.00 62.42 C ATOM 493 CD1 LEU A 30 -5.714 6.998 -13.568 1.00 73.20 C ATOM 494 CD2 LEU A 30 -5.739 7.787 -11.121 1.00 10.21 C ATOM 0 H LEU A 30 -8.357 6.113 -9.761 1.00 31.43 H new ATOM 0 HA LEU A 30 -8.252 7.245 -12.314 1.00 24.04 H new ATOM 0 HB2 LEU A 30 -6.814 5.163 -10.805 1.00 31.12 H new ATOM 0 HB3 LEU A 30 -6.916 4.783 -12.513 1.00 31.12 H new ATOM 0 HG LEU A 30 -4.824 5.998 -11.883 1.00 62.42 H new ATOM 0 HD11 LEU A 30 -4.865 7.661 -13.737 1.00 73.20 H new ATOM 0 HD12 LEU A 30 -5.621 6.119 -14.206 1.00 73.20 H new ATOM 0 HD13 LEU A 30 -6.638 7.524 -13.808 1.00 73.20 H new ATOM 0 HD21 LEU A 30 -4.886 8.426 -11.349 1.00 10.21 H new ATOM 0 HD22 LEU A 30 -6.662 8.352 -11.254 1.00 10.21 H new ATOM 0 HD23 LEU A 30 -5.669 7.444 -10.089 1.00 10.21 H new ATOM 506 N LYS A 31 -9.816 4.309 -12.226 1.00 30.11 N ATOM 507 CA LYS A 31 -10.666 3.389 -13.015 1.00 64.12 C ATOM 508 C LYS A 31 -12.019 4.028 -13.349 1.00 43.15 C ATOM 509 O LYS A 31 -12.560 3.799 -14.429 1.00 15.53 O ATOM 510 CB LYS A 31 -10.829 2.003 -12.300 1.00 2.01 C ATOM 511 CG LYS A 31 -11.690 1.945 -11.003 1.00 71.34 C ATOM 512 CD LYS A 31 -13.199 1.663 -11.258 1.00 33.12 C ATOM 513 CE LYS A 31 -13.431 0.342 -12.013 1.00 54.22 C ATOM 514 NZ LYS A 31 -14.871 0.104 -12.298 1.00 62.31 N ATOM 0 H LYS A 31 -9.641 3.996 -11.271 1.00 30.11 H new ATOM 0 HA LYS A 31 -10.160 3.199 -13.962 1.00 64.12 H new ATOM 0 HB2 LYS A 31 -11.260 1.306 -13.018 1.00 2.01 H new ATOM 0 HB3 LYS A 31 -9.833 1.634 -12.056 1.00 2.01 H new ATOM 0 HG2 LYS A 31 -11.291 1.170 -10.349 1.00 71.34 H new ATOM 0 HG3 LYS A 31 -11.592 2.892 -10.472 1.00 71.34 H new ATOM 0 HD2 LYS A 31 -13.726 1.630 -10.304 1.00 33.12 H new ATOM 0 HD3 LYS A 31 -13.628 2.485 -11.831 1.00 33.12 H new ATOM 0 HE2 LYS A 31 -12.875 0.358 -12.950 1.00 54.22 H new ATOM 0 HE3 LYS A 31 -13.037 -0.486 -11.423 1.00 54.22 H new ATOM 0 HZ1 LYS A 31 -14.980 -0.796 -12.807 1.00 62.31 H new ATOM 0 HZ2 LYS A 31 -15.400 0.062 -11.403 1.00 62.31 H new ATOM 0 HZ3 LYS A 31 -15.242 0.880 -12.883 1.00 62.31 H new ATOM 528 N LEU A 32 -12.525 4.858 -12.414 1.00 3.53 N ATOM 529 CA LEU A 32 -13.814 5.555 -12.551 1.00 40.41 C ATOM 530 C LEU A 32 -13.763 6.538 -13.734 1.00 61.24 C ATOM 531 O LEU A 32 -14.545 6.426 -14.691 1.00 54.45 O ATOM 532 CB LEU A 32 -14.142 6.268 -11.204 1.00 61.44 C ATOM 533 CG LEU A 32 -15.491 7.087 -11.113 1.00 20.10 C ATOM 534 CD1 LEU A 32 -16.118 6.988 -9.703 1.00 20.21 C ATOM 535 CD2 LEU A 32 -15.295 8.580 -11.498 1.00 55.24 C ATOM 0 H LEU A 32 -12.045 5.063 -11.538 1.00 3.53 H new ATOM 0 HA LEU A 32 -14.612 4.844 -12.766 1.00 40.41 H new ATOM 0 HB2 LEU A 32 -14.156 5.512 -10.419 1.00 61.44 H new ATOM 0 HB3 LEU A 32 -13.321 6.948 -10.977 1.00 61.44 H new ATOM 0 HG LEU A 32 -16.173 6.637 -11.834 1.00 20.10 H new ATOM 0 HD11 LEU A 32 -17.044 7.562 -9.675 1.00 20.21 H new ATOM 0 HD12 LEU A 32 -16.331 5.944 -9.472 1.00 20.21 H new ATOM 0 HD13 LEU A 32 -15.421 7.387 -8.966 1.00 20.21 H new ATOM 0 HD21 LEU A 32 -16.248 9.104 -11.421 1.00 55.24 H new ATOM 0 HD22 LEU A 32 -14.573 9.038 -10.822 1.00 55.24 H new ATOM 0 HD23 LEU A 32 -14.926 8.646 -12.522 1.00 55.24 H new ATOM 547 N GLN A 33 -12.817 7.480 -13.671 1.00 43.12 N ATOM 548 CA GLN A 33 -12.658 8.517 -14.699 1.00 61.24 C ATOM 549 C GLN A 33 -12.220 7.893 -16.046 1.00 75.50 C ATOM 550 O GLN A 33 -12.690 8.310 -17.128 1.00 74.35 O ATOM 551 CB GLN A 33 -11.639 9.579 -14.208 1.00 52.34 C ATOM 552 CG GLN A 33 -10.286 8.989 -13.773 1.00 24.20 C ATOM 553 CD GLN A 33 -9.263 9.995 -13.262 1.00 41.14 C ATOM 554 OE1 GLN A 33 -8.004 9.643 -13.407 1.00 50.31 O flip ATOM 555 NE2 GLN A 33 -9.598 11.049 -12.720 1.00 5.33 N flip ATOM 0 H GLN A 33 -12.142 7.547 -12.910 1.00 43.12 H new ATOM 0 HA GLN A 33 -13.617 9.007 -14.867 1.00 61.24 H new ATOM 0 HB2 GLN A 33 -11.470 10.302 -15.006 1.00 52.34 H new ATOM 0 HB3 GLN A 33 -12.073 10.125 -13.370 1.00 52.34 H new ATOM 0 HG2 GLN A 33 -10.466 8.252 -12.991 1.00 24.20 H new ATOM 0 HG3 GLN A 33 -9.853 8.456 -14.620 1.00 24.20 H new ATOM 0 HE21 GLN A 33 -10.586 11.284 -12.628 1.00 5.33 H new ATOM 0 HE22 GLN A 33 -8.887 11.687 -12.363 1.00 5.33 H new ATOM 564 N LEU A 34 -11.350 6.865 -15.940 1.00 75.53 N ATOM 565 CA LEU A 34 -10.765 6.148 -17.084 1.00 20.44 C ATOM 566 C LEU A 34 -11.870 5.697 -18.025 1.00 23.32 C ATOM 567 O LEU A 34 -11.914 6.180 -19.164 1.00 34.01 O ATOM 568 CB LEU A 34 -9.897 4.950 -16.566 1.00 54.43 C ATOM 569 CG LEU A 34 -9.181 3.999 -17.596 1.00 11.31 C ATOM 570 CD1 LEU A 34 -10.054 2.781 -17.996 1.00 63.15 C ATOM 571 CD2 LEU A 34 -8.690 4.780 -18.838 1.00 1.42 C ATOM 0 H LEU A 34 -11.032 6.507 -15.039 1.00 75.53 H new ATOM 0 HA LEU A 34 -10.107 6.809 -17.648 1.00 20.44 H new ATOM 0 HB2 LEU A 34 -9.126 5.364 -15.916 1.00 54.43 H new ATOM 0 HB3 LEU A 34 -10.540 4.329 -15.942 1.00 54.43 H new ATOM 0 HG LEU A 34 -8.306 3.594 -17.088 1.00 11.31 H new ATOM 0 HD11 LEU A 34 -9.509 2.161 -18.708 1.00 63.15 H new ATOM 0 HD12 LEU A 34 -10.288 2.194 -17.108 1.00 63.15 H new ATOM 0 HD13 LEU A 34 -10.979 3.131 -18.454 1.00 63.15 H new ATOM 0 HD21 LEU A 34 -8.200 4.094 -19.529 1.00 1.42 H new ATOM 0 HD22 LEU A 34 -9.541 5.248 -19.333 1.00 1.42 H new ATOM 0 HD23 LEU A 34 -7.983 5.549 -18.528 1.00 1.42 H new ATOM 774 N PHE B 102 7.708 -14.775 20.930 1.00 63.54 N ATOM 775 CA PHE B 102 8.615 -14.180 19.941 1.00 13.40 C ATOM 776 C PHE B 102 8.556 -14.925 18.593 1.00 70.01 C ATOM 777 O PHE B 102 8.592 -14.291 17.524 1.00 11.15 O ATOM 778 CB PHE B 102 10.043 -14.143 20.548 1.00 3.03 C ATOM 779 CG PHE B 102 11.132 -13.516 19.690 1.00 54.13 C ATOM 780 CD1 PHE B 102 12.204 -14.271 19.207 1.00 55.23 C ATOM 781 CD2 PHE B 102 11.101 -12.163 19.398 1.00 5.32 C ATOM 782 CE1 PHE B 102 13.209 -13.680 18.468 1.00 1.24 C ATOM 783 CE2 PHE B 102 12.102 -11.578 18.655 1.00 22.11 C ATOM 784 CZ PHE B 102 13.155 -12.336 18.190 1.00 44.24 C ATOM 0 HA PHE B 102 8.304 -13.160 19.717 1.00 13.40 H new ATOM 0 HB2 PHE B 102 9.998 -13.600 21.492 1.00 3.03 H new ATOM 0 HB3 PHE B 102 10.340 -15.165 20.782 1.00 3.03 H new ATOM 0 HD1 PHE B 102 12.247 -15.330 19.414 1.00 55.23 H new ATOM 0 HD2 PHE B 102 10.281 -11.559 19.758 1.00 5.32 H new ATOM 0 HE1 PHE B 102 14.037 -14.274 18.109 1.00 1.24 H new ATOM 0 HE2 PHE B 102 12.062 -10.521 18.436 1.00 22.11 H new ATOM 0 HZ PHE B 102 13.938 -11.873 17.607 1.00 44.24 H new ATOM 794 N LYS B 103 8.425 -16.270 18.648 1.00 2.14 N ATOM 795 CA LYS B 103 8.342 -17.097 17.428 1.00 71.20 C ATOM 796 C LYS B 103 7.035 -16.787 16.670 1.00 52.02 C ATOM 797 O LYS B 103 7.042 -16.563 15.449 1.00 3.32 O ATOM 798 CB LYS B 103 8.469 -18.632 17.733 1.00 3.00 C ATOM 799 CG LYS B 103 7.223 -19.346 18.346 1.00 73.21 C ATOM 800 CD LYS B 103 6.933 -19.011 19.840 1.00 33.23 C ATOM 801 CE LYS B 103 7.678 -19.936 20.830 1.00 42.25 C ATOM 802 NZ LYS B 103 9.160 -19.872 20.702 1.00 12.01 N ATOM 0 H LYS B 103 8.375 -16.800 19.518 1.00 2.14 H new ATOM 0 HA LYS B 103 9.191 -16.838 16.795 1.00 71.20 H new ATOM 0 HB2 LYS B 103 8.726 -19.140 16.804 1.00 3.00 H new ATOM 0 HB3 LYS B 103 9.308 -18.772 18.415 1.00 3.00 H new ATOM 0 HG2 LYS B 103 6.346 -19.083 17.755 1.00 73.21 H new ATOM 0 HG3 LYS B 103 7.359 -20.423 18.252 1.00 73.21 H new ATOM 0 HD2 LYS B 103 7.218 -17.977 20.035 1.00 33.23 H new ATOM 0 HD3 LYS B 103 5.861 -19.086 20.020 1.00 33.23 H new ATOM 0 HE2 LYS B 103 7.397 -19.667 21.848 1.00 42.25 H new ATOM 0 HE3 LYS B 103 7.352 -20.964 20.671 1.00 42.25 H new ATOM 0 HZ1 LYS B 103 9.600 -20.305 21.539 1.00 12.01 H new ATOM 0 HZ2 LYS B 103 9.457 -20.388 19.849 1.00 12.01 H new ATOM 0 HZ3 LYS B 103 9.459 -18.879 20.628 1.00 12.01 H new ATOM 816 N LYS B 104 5.924 -16.717 17.436 1.00 1.00 N ATOM 817 CA LYS B 104 4.588 -16.505 16.882 1.00 14.21 C ATOM 818 C LYS B 104 4.449 -15.068 16.403 1.00 64.23 C ATOM 819 O LYS B 104 3.771 -14.834 15.422 1.00 15.24 O ATOM 820 CB LYS B 104 3.485 -16.892 17.915 1.00 22.33 C ATOM 821 CG LYS B 104 3.440 -16.054 19.227 1.00 53.03 C ATOM 822 CD LYS B 104 2.558 -14.774 19.162 1.00 63.13 C ATOM 823 CE LYS B 104 1.086 -15.068 18.843 1.00 4.13 C ATOM 824 NZ LYS B 104 0.407 -15.801 19.944 1.00 60.34 N ATOM 0 H LYS B 104 5.938 -16.807 18.452 1.00 1.00 H new ATOM 0 HA LYS B 104 4.451 -17.159 16.021 1.00 14.21 H new ATOM 0 HB2 LYS B 104 2.515 -16.812 17.425 1.00 22.33 H new ATOM 0 HB3 LYS B 104 3.621 -17.940 18.183 1.00 22.33 H new ATOM 0 HG2 LYS B 104 3.073 -16.689 20.033 1.00 53.03 H new ATOM 0 HG3 LYS B 104 4.457 -15.763 19.489 1.00 53.03 H new ATOM 0 HD2 LYS B 104 2.618 -14.250 20.116 1.00 63.13 H new ATOM 0 HD3 LYS B 104 2.960 -14.102 18.404 1.00 63.13 H new ATOM 0 HE2 LYS B 104 0.562 -14.130 18.656 1.00 4.13 H new ATOM 0 HE3 LYS B 104 1.025 -15.655 17.927 1.00 4.13 H new ATOM 0 HZ1 LYS B 104 -0.584 -15.977 19.684 1.00 60.34 H new ATOM 0 HZ2 LYS B 104 0.889 -16.708 20.106 1.00 60.34 H new ATOM 0 HZ3 LYS B 104 0.441 -15.231 20.813 1.00 60.34 H new ATOM 838 N LEU B 105 5.111 -14.115 17.112 1.00 53.03 N ATOM 839 CA LEU B 105 5.152 -12.694 16.727 1.00 63.12 C ATOM 840 C LEU B 105 5.634 -12.567 15.289 1.00 72.41 C ATOM 841 O LEU B 105 4.948 -11.942 14.448 1.00 42.12 O ATOM 842 CB LEU B 105 6.071 -11.876 17.706 1.00 34.42 C ATOM 843 CG LEU B 105 6.799 -10.594 17.143 1.00 11.04 C ATOM 844 CD1 LEU B 105 5.840 -9.568 16.530 1.00 44.23 C ATOM 845 CD2 LEU B 105 7.663 -9.923 18.218 1.00 70.35 C ATOM 0 H LEU B 105 5.629 -14.319 17.966 1.00 53.03 H new ATOM 0 HA LEU B 105 4.147 -12.278 16.797 1.00 63.12 H new ATOM 0 HB2 LEU B 105 5.462 -11.568 18.556 1.00 34.42 H new ATOM 0 HB3 LEU B 105 6.835 -12.552 18.090 1.00 34.42 H new ATOM 0 HG LEU B 105 7.440 -10.955 16.338 1.00 11.04 H new ATOM 0 HD11 LEU B 105 6.408 -8.713 16.163 1.00 44.23 H new ATOM 0 HD12 LEU B 105 5.298 -10.026 15.702 1.00 44.23 H new ATOM 0 HD13 LEU B 105 5.131 -9.235 17.288 1.00 44.23 H new ATOM 0 HD21 LEU B 105 8.150 -9.044 17.797 1.00 70.35 H new ATOM 0 HD22 LEU B 105 7.033 -9.623 19.056 1.00 70.35 H new ATOM 0 HD23 LEU B 105 8.420 -10.625 18.567 1.00 70.35 H new ATOM 857 N TYR B 106 6.809 -13.171 15.015 1.00 21.12 N ATOM 858 CA TYR B 106 7.416 -13.095 13.697 1.00 21.51 C ATOM 859 C TYR B 106 6.462 -13.708 12.665 1.00 25.14 C ATOM 860 O TYR B 106 6.252 -13.143 11.613 1.00 63.14 O ATOM 861 CB TYR B 106 8.821 -13.758 13.651 1.00 74.20 C ATOM 862 CG TYR B 106 9.660 -13.280 12.447 1.00 62.50 C ATOM 863 CD1 TYR B 106 10.093 -11.951 12.378 1.00 51.14 C ATOM 864 CD2 TYR B 106 9.996 -14.121 11.383 1.00 34.25 C ATOM 865 CE1 TYR B 106 10.820 -11.471 11.314 1.00 5.45 C ATOM 866 CE2 TYR B 106 10.735 -13.647 10.307 1.00 41.22 C ATOM 867 CZ TYR B 106 11.144 -12.323 10.282 1.00 44.21 C ATOM 868 OH TYR B 106 11.872 -11.854 9.211 1.00 15.52 O ATOM 0 H TYR B 106 7.344 -13.711 15.695 1.00 21.12 H new ATOM 0 HA TYR B 106 7.578 -12.045 13.453 1.00 21.51 H new ATOM 0 HB2 TYR B 106 9.355 -13.534 14.574 1.00 74.20 H new ATOM 0 HB3 TYR B 106 8.707 -14.841 13.603 1.00 74.20 H new ATOM 0 HD1 TYR B 106 9.848 -11.280 13.188 1.00 51.14 H new ATOM 0 HD2 TYR B 106 9.677 -15.153 11.398 1.00 34.25 H new ATOM 0 HE1 TYR B 106 11.133 -10.438 11.288 1.00 5.45 H new ATOM 0 HE2 TYR B 106 10.990 -14.308 9.492 1.00 41.22 H new ATOM 0 HH TYR B 106 12.017 -12.581 8.570 1.00 15.52 H new ATOM 878 N GLU B 107 5.809 -14.820 13.033 1.00 23.02 N ATOM 879 CA GLU B 107 4.851 -15.493 12.151 1.00 3.22 C ATOM 880 C GLU B 107 3.629 -14.614 11.837 1.00 51.23 C ATOM 881 O GLU B 107 3.234 -14.527 10.687 1.00 43.54 O ATOM 882 CB GLU B 107 4.407 -16.843 12.773 1.00 52.01 C ATOM 883 CG GLU B 107 5.526 -17.892 12.870 1.00 70.54 C ATOM 884 CD GLU B 107 6.182 -18.208 11.510 1.00 10.22 C ATOM 885 OE1 GLU B 107 7.234 -17.607 11.183 1.00 55.12 O ATOM 886 OE2 GLU B 107 5.639 -19.045 10.759 1.00 43.34 O ATOM 0 H GLU B 107 5.929 -15.272 13.940 1.00 23.02 H new ATOM 0 HA GLU B 107 5.357 -15.683 11.205 1.00 3.22 H new ATOM 0 HB2 GLU B 107 4.011 -16.657 13.772 1.00 52.01 H new ATOM 0 HB3 GLU B 107 3.591 -17.253 12.178 1.00 52.01 H new ATOM 0 HG2 GLU B 107 6.290 -17.536 13.561 1.00 70.54 H new ATOM 0 HG3 GLU B 107 5.118 -18.811 13.292 1.00 70.54 H new ATOM 893 N GLN B 108 3.057 -13.943 12.853 1.00 71.51 N ATOM 894 CA GLN B 108 1.796 -13.182 12.679 1.00 51.54 C ATOM 895 C GLN B 108 2.017 -11.956 11.782 1.00 41.43 C ATOM 896 O GLN B 108 1.492 -11.900 10.654 1.00 2.32 O ATOM 897 CB GLN B 108 1.163 -12.741 14.038 1.00 22.13 C ATOM 898 CG GLN B 108 0.894 -13.878 15.056 1.00 1.12 C ATOM 899 CD GLN B 108 0.374 -15.175 14.427 1.00 43.13 C ATOM 900 OE1 GLN B 108 -0.831 -15.385 14.287 1.00 52.34 O ATOM 901 NE2 GLN B 108 1.297 -16.049 14.043 1.00 21.51 N ATOM 0 H GLN B 108 3.440 -13.909 13.798 1.00 71.51 H new ATOM 0 HA GLN B 108 1.092 -13.861 12.198 1.00 51.54 H new ATOM 0 HB2 GLN B 108 1.823 -12.010 14.504 1.00 22.13 H new ATOM 0 HB3 GLN B 108 0.221 -12.234 13.831 1.00 22.13 H new ATOM 0 HG2 GLN B 108 1.817 -14.093 15.595 1.00 1.12 H new ATOM 0 HG3 GLN B 108 0.169 -13.528 15.791 1.00 1.12 H new ATOM 0 HE21 GLN B 108 2.286 -15.838 14.176 1.00 21.51 H new ATOM 0 HE22 GLN B 108 1.017 -16.931 13.615 1.00 21.51 H new ATOM 910 N ILE B 109 2.818 -10.990 12.277 1.00 60.24 N ATOM 911 CA ILE B 109 2.988 -9.701 11.598 1.00 12.34 C ATOM 912 C ILE B 109 3.762 -9.863 10.259 1.00 60.21 C ATOM 913 O ILE B 109 3.425 -9.189 9.290 1.00 50.44 O ATOM 914 CB ILE B 109 3.683 -8.617 12.509 1.00 74.35 C ATOM 915 CG1 ILE B 109 3.013 -8.532 13.925 1.00 15.40 C ATOM 916 CG2 ILE B 109 3.634 -7.228 11.821 1.00 60.11 C ATOM 917 CD1 ILE B 109 3.563 -7.433 14.825 1.00 5.31 C ATOM 0 H ILE B 109 3.352 -11.083 13.141 1.00 60.24 H new ATOM 0 HA ILE B 109 1.983 -9.340 11.379 1.00 12.34 H new ATOM 0 HB ILE B 109 4.721 -8.920 12.646 1.00 74.35 H new ATOM 0 HG12 ILE B 109 1.942 -8.375 13.796 1.00 15.40 H new ATOM 0 HG13 ILE B 109 3.137 -9.491 14.428 1.00 15.40 H new ATOM 0 HG21 ILE B 109 4.117 -6.488 12.460 1.00 60.11 H new ATOM 0 HG22 ILE B 109 4.155 -7.277 10.865 1.00 60.11 H new ATOM 0 HG23 ILE B 109 2.596 -6.941 11.654 1.00 60.11 H new ATOM 0 HD11 ILE B 109 3.040 -7.450 15.781 1.00 5.31 H new ATOM 0 HD12 ILE B 109 4.628 -7.597 14.990 1.00 5.31 H new ATOM 0 HD13 ILE B 109 3.415 -6.464 14.348 1.00 5.31 H new ATOM 929 N LEU B 110 4.788 -10.761 10.205 1.00 25.00 N ATOM 930 CA LEU B 110 5.602 -10.964 8.962 1.00 72.23 C ATOM 931 C LEU B 110 4.784 -11.690 7.879 1.00 34.23 C ATOM 932 O LEU B 110 4.922 -11.361 6.702 1.00 51.41 O ATOM 933 CB LEU B 110 6.955 -11.693 9.262 1.00 31.42 C ATOM 934 CG LEU B 110 8.130 -11.590 8.211 1.00 44.03 C ATOM 935 CD1 LEU B 110 7.927 -12.485 6.963 1.00 30.03 C ATOM 936 CD2 LEU B 110 8.392 -10.114 7.818 1.00 74.41 C ATOM 0 H LEU B 110 5.070 -11.347 10.991 1.00 25.00 H new ATOM 0 HA LEU B 110 5.860 -9.979 8.573 1.00 72.23 H new ATOM 0 HB2 LEU B 110 7.330 -11.313 10.213 1.00 31.42 H new ATOM 0 HB3 LEU B 110 6.734 -12.751 9.406 1.00 31.42 H new ATOM 0 HG LEU B 110 9.019 -11.980 8.707 1.00 44.03 H new ATOM 0 HD11 LEU B 110 8.772 -12.362 6.286 1.00 30.03 H new ATOM 0 HD12 LEU B 110 7.857 -13.528 7.271 1.00 30.03 H new ATOM 0 HD13 LEU B 110 7.008 -12.195 6.453 1.00 30.03 H new ATOM 0 HD21 LEU B 110 9.205 -10.069 7.094 1.00 74.41 H new ATOM 0 HD22 LEU B 110 7.490 -9.689 7.378 1.00 74.41 H new ATOM 0 HD23 LEU B 110 8.665 -9.544 8.706 1.00 74.41 H new ATOM 948 N ALA B 111 3.912 -12.655 8.271 1.00 21.03 N ATOM 949 CA ALA B 111 3.017 -13.331 7.297 1.00 41.34 C ATOM 950 C ALA B 111 2.077 -12.307 6.649 1.00 53.21 C ATOM 951 O ALA B 111 1.863 -12.321 5.431 1.00 64.54 O ATOM 952 CB ALA B 111 2.204 -14.461 7.949 1.00 23.01 C ATOM 0 H ALA B 111 3.810 -12.977 9.234 1.00 21.03 H new ATOM 0 HA ALA B 111 3.646 -13.783 6.530 1.00 41.34 H new ATOM 0 HB1 ALA B 111 1.564 -14.927 7.200 1.00 23.01 H new ATOM 0 HB2 ALA B 111 2.883 -15.207 8.361 1.00 23.01 H new ATOM 0 HB3 ALA B 111 1.588 -14.051 8.749 1.00 23.01 H new ATOM 958 N GLU B 112 1.557 -11.397 7.491 1.00 75.13 N ATOM 959 CA GLU B 112 0.687 -10.305 7.048 1.00 41.12 C ATOM 960 C GLU B 112 1.473 -9.302 6.182 1.00 44.41 C ATOM 961 O GLU B 112 0.969 -8.833 5.173 1.00 14.24 O ATOM 962 CB GLU B 112 0.074 -9.569 8.264 1.00 32.22 C ATOM 963 CG GLU B 112 -1.065 -8.594 7.898 1.00 64.30 C ATOM 964 CD GLU B 112 -2.338 -9.286 7.382 1.00 72.20 C ATOM 965 OE1 GLU B 112 -2.759 -10.307 7.963 1.00 11.00 O ATOM 966 OE2 GLU B 112 -2.941 -8.793 6.414 1.00 23.30 O ATOM 0 H GLU B 112 1.731 -11.402 8.496 1.00 75.13 H new ATOM 0 HA GLU B 112 -0.116 -10.737 6.451 1.00 41.12 H new ATOM 0 HB2 GLU B 112 -0.307 -10.308 8.969 1.00 32.22 H new ATOM 0 HB3 GLU B 112 0.862 -9.016 8.776 1.00 32.22 H new ATOM 0 HG2 GLU B 112 -1.317 -8.000 8.776 1.00 64.30 H new ATOM 0 HG3 GLU B 112 -0.706 -7.901 7.137 1.00 64.30 H new ATOM 973 N ASN B 113 2.726 -9.024 6.593 1.00 33.14 N ATOM 974 CA ASN B 113 3.626 -8.037 5.949 1.00 71.33 C ATOM 975 C ASN B 113 4.009 -8.499 4.527 1.00 53.23 C ATOM 976 O ASN B 113 4.134 -7.694 3.595 1.00 24.40 O ATOM 977 CB ASN B 113 4.900 -7.864 6.821 1.00 13.31 C ATOM 978 CG ASN B 113 5.791 -6.713 6.366 1.00 12.42 C ATOM 979 OD1 ASN B 113 5.564 -5.533 6.915 1.00 15.45 O flip ATOM 980 ND2 ASN B 113 6.678 -6.881 5.531 1.00 31.52 N flip ATOM 0 H ASN B 113 3.152 -9.486 7.396 1.00 33.14 H new ATOM 0 HA ASN B 113 3.109 -7.081 5.866 1.00 71.33 H new ATOM 0 HB2 ASN B 113 4.603 -7.697 7.856 1.00 13.31 H new ATOM 0 HB3 ASN B 113 5.475 -8.790 6.800 1.00 13.31 H new ATOM 0 HD21 ASN B 113 6.828 -7.805 5.125 1.00 31.52 H new ATOM 0 HD22 ASN B 113 7.263 -6.097 5.244 1.00 31.52 H new ATOM 987 N GLU B 114 4.178 -9.823 4.405 1.00 3.40 N ATOM 988 CA GLU B 114 4.430 -10.523 3.142 1.00 54.14 C ATOM 989 C GLU B 114 3.206 -10.398 2.221 1.00 53.24 C ATOM 990 O GLU B 114 3.339 -10.091 1.027 1.00 14.13 O ATOM 991 CB GLU B 114 4.771 -12.022 3.430 1.00 3.43 C ATOM 992 CG GLU B 114 4.345 -13.002 2.313 1.00 32.32 C ATOM 993 CD GLU B 114 5.029 -14.372 2.390 1.00 52.45 C ATOM 994 OE1 GLU B 114 4.415 -15.339 2.896 1.00 53.42 O ATOM 995 OE2 GLU B 114 6.192 -14.483 1.947 1.00 35.53 O ATOM 0 H GLU B 114 4.142 -10.453 5.207 1.00 3.40 H new ATOM 0 HA GLU B 114 5.282 -10.069 2.635 1.00 54.14 H new ATOM 0 HB2 GLU B 114 5.846 -12.114 3.586 1.00 3.43 H new ATOM 0 HB3 GLU B 114 4.288 -12.319 4.361 1.00 3.43 H new ATOM 0 HG2 GLU B 114 3.265 -13.143 2.360 1.00 32.32 H new ATOM 0 HG3 GLU B 114 4.565 -12.551 1.345 1.00 32.32 H new ATOM 1002 N LYS B 115 2.017 -10.654 2.796 1.00 32.03 N ATOM 1003 CA LYS B 115 0.741 -10.486 2.092 1.00 14.53 C ATOM 1004 C LYS B 115 0.597 -9.034 1.595 1.00 64.25 C ATOM 1005 O LYS B 115 0.133 -8.798 0.481 1.00 61.35 O ATOM 1006 CB LYS B 115 -0.458 -10.843 3.014 1.00 71.32 C ATOM 1007 CG LYS B 115 -1.842 -10.906 2.288 1.00 24.15 C ATOM 1008 CD LYS B 115 -2.994 -10.222 3.069 1.00 32.14 C ATOM 1009 CE LYS B 115 -2.835 -8.694 3.119 1.00 24.41 C ATOM 1010 NZ LYS B 115 -3.929 -8.046 3.884 1.00 54.33 N ATOM 0 H LYS B 115 1.918 -10.981 3.757 1.00 32.03 H new ATOM 0 HA LYS B 115 0.735 -11.165 1.239 1.00 14.53 H new ATOM 0 HB2 LYS B 115 -0.264 -11.808 3.483 1.00 71.32 H new ATOM 0 HB3 LYS B 115 -0.516 -10.106 3.815 1.00 71.32 H new ATOM 0 HG2 LYS B 115 -1.750 -10.434 1.310 1.00 24.15 H new ATOM 0 HG3 LYS B 115 -2.103 -11.950 2.115 1.00 24.15 H new ATOM 0 HD2 LYS B 115 -3.946 -10.471 2.601 1.00 32.14 H new ATOM 0 HD3 LYS B 115 -3.026 -10.616 4.085 1.00 32.14 H new ATOM 0 HE2 LYS B 115 -1.877 -8.444 3.574 1.00 24.41 H new ATOM 0 HE3 LYS B 115 -2.819 -8.298 2.104 1.00 24.41 H new ATOM 0 HZ1 LYS B 115 -3.934 -7.025 3.686 1.00 54.33 H new ATOM 0 HZ2 LYS B 115 -4.841 -8.458 3.601 1.00 54.33 H new ATOM 0 HZ3 LYS B 115 -3.780 -8.201 4.902 1.00 54.33 H new ATOM 1024 N LEU B 116 1.053 -8.074 2.442 1.00 74.33 N ATOM 1025 CA LEU B 116 1.008 -6.632 2.140 1.00 73.14 C ATOM 1026 C LEU B 116 1.962 -6.272 0.994 1.00 61.01 C ATOM 1027 O LEU B 116 1.682 -5.381 0.198 1.00 33.13 O ATOM 1028 CB LEU B 116 1.323 -5.767 3.381 1.00 11.01 C ATOM 1029 CG LEU B 116 0.326 -5.889 4.563 1.00 31.41 C ATOM 1030 CD1 LEU B 116 0.779 -5.046 5.764 1.00 43.35 C ATOM 1031 CD2 LEU B 116 -1.105 -5.528 4.146 1.00 21.33 C ATOM 0 H LEU B 116 1.461 -8.286 3.352 1.00 74.33 H new ATOM 0 HA LEU B 116 -0.013 -6.413 1.829 1.00 73.14 H new ATOM 0 HB2 LEU B 116 2.317 -6.031 3.741 1.00 11.01 H new ATOM 0 HB3 LEU B 116 1.363 -4.723 3.071 1.00 11.01 H new ATOM 0 HG LEU B 116 0.320 -6.935 4.868 1.00 31.41 H new ATOM 0 HD11 LEU B 116 0.059 -5.153 6.576 1.00 43.35 H new ATOM 0 HD12 LEU B 116 1.758 -5.388 6.100 1.00 43.35 H new ATOM 0 HD13 LEU B 116 0.842 -3.998 5.470 1.00 43.35 H new ATOM 0 HD21 LEU B 116 -1.770 -5.627 5.004 1.00 21.33 H new ATOM 0 HD22 LEU B 116 -1.130 -4.500 3.784 1.00 21.33 H new ATOM 0 HD23 LEU B 116 -1.433 -6.200 3.353 1.00 21.33 H new ATOM 1043 N LYS B 117 3.078 -6.983 0.924 1.00 62.01 N ATOM 1044 CA LYS B 117 4.072 -6.825 -0.143 1.00 51.54 C ATOM 1045 C LYS B 117 3.472 -7.223 -1.511 1.00 65.41 C ATOM 1046 O LYS B 117 3.622 -6.508 -2.517 1.00 21.32 O ATOM 1047 CB LYS B 117 5.284 -7.706 0.201 1.00 54.11 C ATOM 1048 CG LYS B 117 6.490 -7.590 -0.749 1.00 51.12 C ATOM 1049 CD LYS B 117 7.637 -8.553 -0.357 1.00 41.22 C ATOM 1050 CE LYS B 117 8.007 -8.444 1.131 1.00 14.11 C ATOM 1051 NZ LYS B 117 9.185 -9.279 1.471 1.00 33.31 N ATOM 0 H LYS B 117 3.327 -7.695 1.611 1.00 62.01 H new ATOM 0 HA LYS B 117 4.380 -5.782 -0.217 1.00 51.54 H new ATOM 0 HB2 LYS B 117 5.615 -7.457 1.209 1.00 54.11 H new ATOM 0 HB3 LYS B 117 4.959 -8.746 0.219 1.00 54.11 H new ATOM 0 HG2 LYS B 117 6.170 -7.805 -1.768 1.00 51.12 H new ATOM 0 HG3 LYS B 117 6.860 -6.565 -0.741 1.00 51.12 H new ATOM 0 HD2 LYS B 117 7.341 -9.578 -0.581 1.00 41.22 H new ATOM 0 HD3 LYS B 117 8.515 -8.335 -0.964 1.00 41.22 H new ATOM 0 HE2 LYS B 117 8.217 -7.403 1.378 1.00 14.11 H new ATOM 0 HE3 LYS B 117 7.157 -8.751 1.740 1.00 14.11 H new ATOM 0 HZ1 LYS B 117 9.402 -9.178 2.483 1.00 33.31 H new ATOM 0 HZ2 LYS B 117 8.977 -10.276 1.260 1.00 33.31 H new ATOM 0 HZ3 LYS B 117 10.004 -8.970 0.909 1.00 33.31 H new ATOM 1065 N ALA B 118 2.738 -8.349 -1.499 1.00 64.51 N ATOM 1066 CA ALA B 118 2.168 -8.963 -2.705 1.00 72.20 C ATOM 1067 C ALA B 118 0.942 -8.182 -3.198 1.00 70.24 C ATOM 1068 O ALA B 118 0.775 -7.971 -4.401 1.00 22.24 O ATOM 1069 CB ALA B 118 1.802 -10.428 -2.421 1.00 4.22 C ATOM 0 H ALA B 118 2.523 -8.861 -0.643 1.00 64.51 H new ATOM 0 HA ALA B 118 2.917 -8.932 -3.496 1.00 72.20 H new ATOM 0 HB1 ALA B 118 1.380 -10.878 -3.319 1.00 4.22 H new ATOM 0 HB2 ALA B 118 2.697 -10.976 -2.127 1.00 4.22 H new ATOM 0 HB3 ALA B 118 1.069 -10.470 -1.615 1.00 4.22 H new ATOM 1075 N GLN B 119 0.085 -7.744 -2.251 1.00 62.13 N ATOM 1076 CA GLN B 119 -1.146 -7.007 -2.582 1.00 12.10 C ATOM 1077 C GLN B 119 -0.817 -5.609 -3.106 1.00 65.53 C ATOM 1078 O GLN B 119 -1.492 -5.128 -4.003 1.00 13.42 O ATOM 1079 CB GLN B 119 -2.122 -6.950 -1.362 1.00 24.14 C ATOM 1080 CG GLN B 119 -1.575 -6.227 -0.114 1.00 41.14 C ATOM 1081 CD GLN B 119 -1.709 -4.703 -0.120 1.00 53.03 C ATOM 1082 OE1 GLN B 119 -2.662 -4.134 -0.646 1.00 43.20 O ATOM 1083 NE2 GLN B 119 -0.712 -4.029 0.429 1.00 73.32 N ATOM 0 H GLN B 119 0.226 -7.890 -1.251 1.00 62.13 H new ATOM 0 HA GLN B 119 -1.659 -7.548 -3.377 1.00 12.10 H new ATOM 0 HB2 GLN B 119 -3.041 -6.454 -1.675 1.00 24.14 H new ATOM 0 HB3 GLN B 119 -2.389 -7.969 -1.083 1.00 24.14 H new ATOM 0 HG2 GLN B 119 -2.091 -6.616 0.764 1.00 41.14 H new ATOM 0 HG3 GLN B 119 -0.521 -6.481 -0.002 1.00 41.14 H new ATOM 0 HE21 GLN B 119 0.066 -4.529 0.859 1.00 73.32 H new ATOM 0 HE22 GLN B 119 -0.721 -3.009 0.423 1.00 73.32 H new ATOM 1092 N LEU B 120 0.223 -4.952 -2.519 1.00 35.25 N ATOM 1093 CA LEU B 120 0.613 -3.586 -2.922 1.00 44.14 C ATOM 1094 C LEU B 120 1.163 -3.615 -4.340 1.00 55.03 C ATOM 1095 O LEU B 120 0.808 -2.766 -5.155 1.00 60.33 O ATOM 1096 CB LEU B 120 1.624 -2.938 -1.907 1.00 11.12 C ATOM 1097 CG LEU B 120 3.185 -3.161 -2.107 1.00 22.42 C ATOM 1098 CD1 LEU B 120 3.826 -2.106 -3.052 1.00 15.03 C ATOM 1099 CD2 LEU B 120 3.945 -3.186 -0.768 1.00 62.51 C ATOM 0 H LEU B 120 0.796 -5.348 -1.774 1.00 35.25 H new ATOM 0 HA LEU B 120 -0.272 -2.950 -2.906 1.00 44.14 H new ATOM 0 HB2 LEU B 120 1.445 -1.863 -1.909 1.00 11.12 H new ATOM 0 HB3 LEU B 120 1.367 -3.302 -0.912 1.00 11.12 H new ATOM 0 HG LEU B 120 3.278 -4.139 -2.579 1.00 22.42 H new ATOM 0 HD11 LEU B 120 4.893 -2.307 -3.152 1.00 15.03 H new ATOM 0 HD12 LEU B 120 3.353 -2.161 -4.033 1.00 15.03 H new ATOM 0 HD13 LEU B 120 3.682 -1.109 -2.635 1.00 15.03 H new ATOM 0 HD21 LEU B 120 5.008 -3.341 -0.956 1.00 62.51 H new ATOM 0 HD22 LEU B 120 3.802 -2.237 -0.251 1.00 62.51 H new ATOM 0 HD23 LEU B 120 3.564 -3.998 -0.148 1.00 62.51 H new ATOM 1111 N HIS B 121 2.028 -4.622 -4.617 1.00 23.44 N ATOM 1112 CA HIS B 121 2.652 -4.790 -5.933 1.00 42.34 C ATOM 1113 C HIS B 121 1.557 -5.018 -6.988 1.00 34.21 C ATOM 1114 O HIS B 121 1.579 -4.394 -8.049 1.00 50.12 O ATOM 1115 CB HIS B 121 3.673 -5.963 -5.928 1.00 64.15 C ATOM 1116 CG HIS B 121 4.486 -6.068 -7.202 1.00 22.44 C ATOM 1117 ND1 HIS B 121 5.645 -5.347 -7.413 1.00 73.23 N ATOM 1118 CD2 HIS B 121 4.303 -6.799 -8.337 1.00 44.34 C ATOM 1119 CE1 HIS B 121 6.124 -5.615 -8.613 1.00 64.12 C ATOM 1120 NE2 HIS B 121 5.334 -6.495 -9.187 1.00 1.24 N ATOM 0 H HIS B 121 2.304 -5.329 -3.935 1.00 23.44 H new ATOM 0 HA HIS B 121 3.205 -3.884 -6.180 1.00 42.34 H new ATOM 0 HB2 HIS B 121 4.351 -5.839 -5.084 1.00 64.15 H new ATOM 0 HB3 HIS B 121 3.137 -6.899 -5.771 1.00 64.15 H new ATOM 0 HD2 HIS B 121 3.496 -7.490 -8.531 1.00 44.34 H new ATOM 0 HE1 HIS B 121 7.013 -5.185 -9.049 1.00 64.12 H new ATOM 0 HE2 HIS B 121 5.467 -6.889 -10.118 1.00 1.24 H new ATOM 1129 N ASP B 122 0.583 -5.884 -6.630 1.00 22.34 N ATOM 1130 CA ASP B 122 -0.584 -6.216 -7.473 1.00 44.34 C ATOM 1131 C ASP B 122 -1.448 -4.964 -7.748 1.00 54.32 C ATOM 1132 O ASP B 122 -1.840 -4.722 -8.889 1.00 1.33 O ATOM 1133 CB ASP B 122 -1.440 -7.328 -6.802 1.00 21.04 C ATOM 1134 CG ASP B 122 -2.565 -7.855 -7.719 1.00 60.54 C ATOM 1135 OD1 ASP B 122 -3.705 -7.346 -7.653 1.00 70.14 O ATOM 1136 OD2 ASP B 122 -2.305 -8.784 -8.516 1.00 31.21 O ATOM 0 H ASP B 122 0.587 -6.377 -5.737 1.00 22.34 H new ATOM 0 HA ASP B 122 -0.214 -6.587 -8.429 1.00 44.34 H new ATOM 0 HB2 ASP B 122 -0.792 -8.157 -6.518 1.00 21.04 H new ATOM 0 HB3 ASP B 122 -1.879 -6.937 -5.884 1.00 21.04 H new ATOM 1141 N THR B 123 -1.692 -4.161 -6.689 1.00 2.21 N ATOM 1142 CA THR B 123 -2.487 -2.912 -6.768 1.00 23.41 C ATOM 1143 C THR B 123 -1.784 -1.881 -7.668 1.00 60.21 C ATOM 1144 O THR B 123 -2.436 -1.115 -8.386 1.00 10.42 O ATOM 1145 CB THR B 123 -2.723 -2.272 -5.350 1.00 42.30 C ATOM 1146 OG1 THR B 123 -3.363 -3.206 -4.469 1.00 13.32 O ATOM 1147 CG2 THR B 123 -3.595 -1.009 -5.428 1.00 51.11 C ATOM 0 H THR B 123 -1.343 -4.360 -5.752 1.00 2.21 H new ATOM 0 HA THR B 123 -3.454 -3.181 -7.192 1.00 23.41 H new ATOM 0 HB THR B 123 -1.739 -2.003 -4.965 1.00 42.30 H new ATOM 0 HG1 THR B 123 -2.748 -3.942 -4.270 1.00 13.32 H new ATOM 0 HG21 THR B 123 -3.733 -0.600 -4.427 1.00 51.11 H new ATOM 0 HG22 THR B 123 -3.106 -0.267 -6.059 1.00 51.11 H new ATOM 0 HG23 THR B 123 -4.566 -1.263 -5.853 1.00 51.11 H new ATOM 1155 N ASN B 124 -0.440 -1.883 -7.608 1.00 65.43 N ATOM 1156 CA ASN B 124 0.399 -1.017 -8.441 1.00 42.51 C ATOM 1157 C ASN B 124 0.275 -1.436 -9.911 1.00 23.14 C ATOM 1158 O ASN B 124 0.222 -0.578 -10.777 1.00 43.52 O ATOM 1159 CB ASN B 124 1.882 -1.048 -7.963 1.00 1.13 C ATOM 1160 CG ASN B 124 2.160 -0.270 -6.656 1.00 14.20 C ATOM 1161 OD1 ASN B 124 1.192 -0.172 -5.744 1.00 31.42 O flip ATOM 1162 ND2 ASN B 124 3.263 0.232 -6.460 1.00 4.50 N flip ATOM 0 H ASN B 124 0.090 -2.486 -6.979 1.00 65.43 H new ATOM 0 HA ASN B 124 0.052 0.012 -8.344 1.00 42.51 H new ATOM 0 HB2 ASN B 124 2.181 -2.086 -7.821 1.00 1.13 H new ATOM 0 HB3 ASN B 124 2.512 -0.639 -8.753 1.00 1.13 H new ATOM 0 HD21 ASN B 124 3.994 0.149 -7.167 1.00 4.50 H new ATOM 0 HD22 ASN B 124 3.449 0.732 -5.591 1.00 4.50 H new ATOM 1169 N MET B 125 0.204 -2.765 -10.177 1.00 41.15 N ATOM 1170 CA MET B 125 -0.044 -3.305 -11.534 1.00 54.53 C ATOM 1171 C MET B 125 -1.415 -2.874 -12.077 1.00 61.11 C ATOM 1172 O MET B 125 -1.548 -2.597 -13.271 1.00 44.45 O ATOM 1173 CB MET B 125 0.054 -4.855 -11.561 1.00 60.03 C ATOM 1174 CG MET B 125 1.321 -5.425 -10.925 1.00 52.15 C ATOM 1175 SD MET B 125 1.663 -7.133 -11.408 1.00 74.55 S ATOM 1176 CE MET B 125 0.155 -7.976 -10.910 1.00 54.32 C ATOM 0 H MET B 125 0.316 -3.485 -9.463 1.00 41.15 H new ATOM 0 HA MET B 125 0.734 -2.890 -12.175 1.00 54.53 H new ATOM 0 HB2 MET B 125 -0.813 -5.269 -11.046 1.00 60.03 H new ATOM 0 HB3 MET B 125 0.001 -5.191 -12.597 1.00 60.03 H new ATOM 0 HG2 MET B 125 2.170 -4.800 -11.202 1.00 52.15 H new ATOM 0 HG3 MET B 125 1.228 -5.374 -9.840 1.00 52.15 H new ATOM 0 HE1 MET B 125 0.394 -8.748 -10.178 1.00 54.32 H new ATOM 0 HE2 MET B 125 -0.534 -7.257 -10.467 1.00 54.32 H new ATOM 0 HE3 MET B 125 -0.310 -8.435 -11.782 1.00 54.32 H new ATOM 1186 N GLU B 126 -2.431 -2.827 -11.186 1.00 24.20 N ATOM 1187 CA GLU B 126 -3.792 -2.377 -11.548 1.00 53.02 C ATOM 1188 C GLU B 126 -3.781 -0.870 -11.859 1.00 43.22 C ATOM 1189 O GLU B 126 -4.415 -0.413 -12.803 1.00 32.11 O ATOM 1190 CB GLU B 126 -4.809 -2.660 -10.414 1.00 22.23 C ATOM 1191 CG GLU B 126 -4.784 -4.077 -9.827 1.00 53.54 C ATOM 1192 CD GLU B 126 -5.973 -4.377 -8.902 1.00 45.15 C ATOM 1193 OE1 GLU B 126 -5.797 -4.420 -7.660 1.00 34.43 O ATOM 1194 OE2 GLU B 126 -7.104 -4.553 -9.422 1.00 10.45 O ATOM 0 H GLU B 126 -2.332 -3.097 -10.207 1.00 24.20 H new ATOM 0 HA GLU B 126 -4.101 -2.938 -12.430 1.00 53.02 H new ATOM 0 HB2 GLU B 126 -4.629 -1.950 -9.606 1.00 22.23 H new ATOM 0 HB3 GLU B 126 -5.811 -2.463 -10.794 1.00 22.23 H new ATOM 0 HG2 GLU B 126 -4.777 -4.800 -10.643 1.00 53.54 H new ATOM 0 HG3 GLU B 126 -3.857 -4.215 -9.271 1.00 53.54 H new ATOM 1201 N LEU B 127 -3.026 -0.120 -11.049 1.00 72.13 N ATOM 1202 CA LEU B 127 -2.839 1.327 -11.223 1.00 22.42 C ATOM 1203 C LEU B 127 -2.070 1.625 -12.536 1.00 35.24 C ATOM 1204 O LEU B 127 -2.366 2.608 -13.222 1.00 43.14 O ATOM 1205 CB LEU B 127 -2.086 1.908 -9.997 1.00 22.42 C ATOM 1206 CG LEU B 127 -1.916 3.459 -9.969 1.00 71.41 C ATOM 1207 CD1 LEU B 127 -3.286 4.172 -9.827 1.00 23.12 C ATOM 1208 CD2 LEU B 127 -0.924 3.887 -8.861 1.00 54.33 C ATOM 0 H LEU B 127 -2.523 -0.502 -10.248 1.00 72.13 H new ATOM 0 HA LEU B 127 -3.816 1.805 -11.294 1.00 22.42 H new ATOM 0 HB2 LEU B 127 -2.615 1.604 -9.094 1.00 22.42 H new ATOM 0 HB3 LEU B 127 -1.096 1.453 -9.955 1.00 22.42 H new ATOM 0 HG LEU B 127 -1.491 3.770 -10.923 1.00 71.41 H new ATOM 0 HD11 LEU B 127 -3.134 5.251 -9.810 1.00 23.12 H new ATOM 0 HD12 LEU B 127 -3.923 3.908 -10.671 1.00 23.12 H new ATOM 0 HD13 LEU B 127 -3.765 3.859 -8.899 1.00 23.12 H new ATOM 0 HD21 LEU B 127 -0.823 4.972 -8.862 1.00 54.33 H new ATOM 0 HD22 LEU B 127 -1.298 3.559 -7.891 1.00 54.33 H new ATOM 0 HD23 LEU B 127 0.049 3.432 -9.048 1.00 54.33 H new ATOM 1220 N THR B 128 -1.105 0.740 -12.880 1.00 33.44 N ATOM 1221 CA THR B 128 -0.309 0.840 -14.123 1.00 4.25 C ATOM 1222 C THR B 128 -1.150 0.377 -15.335 1.00 21.03 C ATOM 1223 O THR B 128 -0.893 0.771 -16.475 1.00 31.31 O ATOM 1224 CB THR B 128 1.017 0.001 -14.039 1.00 33.12 C ATOM 1225 OG1 THR B 128 1.693 0.280 -12.807 1.00 1.54 O ATOM 1226 CG2 THR B 128 1.982 0.305 -15.204 1.00 14.10 C ATOM 0 H THR B 128 -0.857 -0.063 -12.302 1.00 33.44 H new ATOM 0 HA THR B 128 -0.032 1.887 -14.251 1.00 4.25 H new ATOM 0 HB THR B 128 0.730 -1.049 -14.097 1.00 33.12 H new ATOM 0 HG1 THR B 128 1.171 -0.078 -12.059 1.00 1.54 H new ATOM 0 HG21 THR B 128 2.882 -0.301 -15.098 1.00 14.10 H new ATOM 0 HG22 THR B 128 1.495 0.070 -16.150 1.00 14.10 H new ATOM 0 HG23 THR B 128 2.251 1.361 -15.187 1.00 14.10 H new ATOM 1234 N ASP B 129 -2.160 -0.467 -15.061 1.00 15.52 N ATOM 1235 CA ASP B 129 -3.142 -0.914 -16.060 1.00 50.33 C ATOM 1236 C ASP B 129 -4.034 0.262 -16.482 1.00 33.21 C ATOM 1237 O ASP B 129 -4.222 0.504 -17.663 1.00 54.25 O ATOM 1238 CB ASP B 129 -3.995 -2.069 -15.475 1.00 4.32 C ATOM 1239 CG ASP B 129 -5.182 -2.469 -16.368 1.00 61.41 C ATOM 1240 OD1 ASP B 129 -6.324 -2.036 -16.107 1.00 74.14 O ATOM 1241 OD2 ASP B 129 -4.976 -3.216 -17.339 1.00 41.55 O ATOM 0 H ASP B 129 -2.317 -0.860 -14.133 1.00 15.52 H new ATOM 0 HA ASP B 129 -2.619 -1.281 -16.943 1.00 50.33 H new ATOM 0 HB2 ASP B 129 -3.357 -2.939 -15.321 1.00 4.32 H new ATOM 0 HB3 ASP B 129 -4.371 -1.772 -14.496 1.00 4.32 H new ATOM 1246 N LEU B 130 -4.558 0.990 -15.477 1.00 21.13 N ATOM 1247 CA LEU B 130 -5.412 2.183 -15.681 1.00 73.23 C ATOM 1248 C LEU B 130 -4.622 3.307 -16.364 1.00 74.15 C ATOM 1249 O LEU B 130 -5.159 4.046 -17.189 1.00 72.45 O ATOM 1250 CB LEU B 130 -5.964 2.661 -14.315 1.00 30.30 C ATOM 1251 CG LEU B 130 -6.759 1.581 -13.528 1.00 12.14 C ATOM 1252 CD1 LEU B 130 -7.118 2.045 -12.102 1.00 61.24 C ATOM 1253 CD2 LEU B 130 -8.001 1.115 -14.326 1.00 1.43 C ATOM 0 H LEU B 130 -4.401 0.768 -14.494 1.00 21.13 H new ATOM 0 HA LEU B 130 -6.245 1.916 -16.332 1.00 73.23 H new ATOM 0 HB2 LEU B 130 -5.131 3.001 -13.700 1.00 30.30 H new ATOM 0 HB3 LEU B 130 -6.611 3.522 -14.480 1.00 30.30 H new ATOM 0 HG LEU B 130 -6.107 0.716 -13.407 1.00 12.14 H new ATOM 0 HD11 LEU B 130 -7.672 1.257 -11.592 1.00 61.24 H new ATOM 0 HD12 LEU B 130 -6.204 2.262 -11.549 1.00 61.24 H new ATOM 0 HD13 LEU B 130 -7.732 2.944 -12.156 1.00 61.24 H new ATOM 0 HD21 LEU B 130 -8.539 0.360 -13.753 1.00 1.43 H new ATOM 0 HD22 LEU B 130 -8.656 1.967 -14.509 1.00 1.43 H new ATOM 0 HD23 LEU B 130 -7.683 0.690 -15.278 1.00 1.43 H new ATOM 1265 N LYS B 131 -3.341 3.398 -15.980 1.00 20.04 N ATOM 1266 CA LYS B 131 -2.332 4.272 -16.591 1.00 75.11 C ATOM 1267 C LYS B 131 -2.176 3.953 -18.095 1.00 2.12 C ATOM 1268 O LYS B 131 -2.210 4.863 -18.935 1.00 54.22 O ATOM 1269 CB LYS B 131 -1.003 4.063 -15.792 1.00 52.35 C ATOM 1270 CG LYS B 131 0.316 4.482 -16.465 1.00 32.30 C ATOM 1271 CD LYS B 131 0.421 5.990 -16.737 1.00 64.33 C ATOM 1272 CE LYS B 131 1.833 6.409 -17.174 1.00 74.24 C ATOM 1273 NZ LYS B 131 2.284 5.698 -18.395 1.00 33.34 N ATOM 0 H LYS B 131 -2.967 2.846 -15.209 1.00 20.04 H new ATOM 0 HA LYS B 131 -2.627 5.320 -16.539 1.00 75.11 H new ATOM 0 HB2 LYS B 131 -1.088 4.610 -14.853 1.00 52.35 H new ATOM 0 HB3 LYS B 131 -0.928 3.005 -15.539 1.00 52.35 H new ATOM 0 HG2 LYS B 131 1.149 4.178 -15.831 1.00 32.30 H new ATOM 0 HG3 LYS B 131 0.419 3.944 -17.407 1.00 32.30 H new ATOM 0 HD2 LYS B 131 -0.294 6.267 -17.512 1.00 64.33 H new ATOM 0 HD3 LYS B 131 0.144 6.539 -15.837 1.00 64.33 H new ATOM 0 HE2 LYS B 131 1.850 7.484 -17.356 1.00 74.24 H new ATOM 0 HE3 LYS B 131 2.534 6.212 -16.363 1.00 74.24 H new ATOM 0 HZ1 LYS B 131 3.205 6.076 -18.697 1.00 33.34 H new ATOM 0 HZ2 LYS B 131 2.377 4.682 -18.191 1.00 33.34 H new ATOM 0 HZ3 LYS B 131 1.587 5.836 -19.155 1.00 33.34 H new ATOM 1287 N LEU B 132 -2.048 2.646 -18.411 1.00 75.33 N ATOM 1288 CA LEU B 132 -1.878 2.160 -19.792 1.00 2.32 C ATOM 1289 C LEU B 132 -3.163 2.382 -20.616 1.00 54.11 C ATOM 1290 O LEU B 132 -3.110 2.772 -21.788 1.00 41.54 O ATOM 1291 CB LEU B 132 -1.473 0.660 -19.804 1.00 2.42 C ATOM 1292 CG LEU B 132 -1.175 0.042 -21.213 1.00 3.14 C ATOM 1293 CD1 LEU B 132 -0.007 0.771 -21.926 1.00 70.45 C ATOM 1294 CD2 LEU B 132 -0.914 -1.478 -21.110 1.00 21.35 C ATOM 0 H LEU B 132 -2.060 1.901 -17.714 1.00 75.33 H new ATOM 0 HA LEU B 132 -1.075 2.734 -20.253 1.00 2.32 H new ATOM 0 HB2 LEU B 132 -0.587 0.538 -19.181 1.00 2.42 H new ATOM 0 HB3 LEU B 132 -2.273 0.084 -19.338 1.00 2.42 H new ATOM 0 HG LEU B 132 -2.064 0.186 -21.827 1.00 3.14 H new ATOM 0 HD11 LEU B 132 0.168 0.313 -22.899 1.00 70.45 H new ATOM 0 HD12 LEU B 132 -0.262 1.822 -22.061 1.00 70.45 H new ATOM 0 HD13 LEU B 132 0.896 0.692 -21.320 1.00 70.45 H new ATOM 0 HD21 LEU B 132 -0.710 -1.880 -22.102 1.00 21.35 H new ATOM 0 HD22 LEU B 132 -0.056 -1.657 -20.463 1.00 21.35 H new ATOM 0 HD23 LEU B 132 -1.792 -1.970 -20.692 1.00 21.35 H new ATOM 1306 N GLN B 133 -4.320 2.173 -19.978 1.00 74.21 N ATOM 1307 CA GLN B 133 -5.622 2.354 -20.629 1.00 73.20 C ATOM 1308 C GLN B 133 -5.908 3.841 -20.871 1.00 21.11 C ATOM 1309 O GLN B 133 -6.647 4.169 -21.782 1.00 22.01 O ATOM 1310 CB GLN B 133 -6.775 1.746 -19.789 1.00 74.02 C ATOM 1311 CG GLN B 133 -6.710 0.227 -19.558 1.00 14.23 C ATOM 1312 CD GLN B 133 -7.967 -0.293 -18.861 1.00 21.02 C ATOM 1313 OE1 GLN B 133 -8.008 -0.180 -17.545 1.00 40.01 O flip ATOM 1314 NE2 GLN B 133 -8.914 -0.749 -19.506 1.00 33.20 N flip ATOM 0 H GLN B 133 -4.381 1.876 -19.004 1.00 74.21 H new ATOM 0 HA GLN B 133 -5.573 1.830 -21.584 1.00 73.20 H new ATOM 0 HB2 GLN B 133 -6.791 2.241 -18.818 1.00 74.02 H new ATOM 0 HB3 GLN B 133 -7.719 1.979 -20.281 1.00 74.02 H new ATOM 0 HG2 GLN B 133 -6.587 -0.282 -20.514 1.00 14.23 H new ATOM 0 HG3 GLN B 133 -5.834 -0.012 -18.955 1.00 14.23 H new ATOM 0 HE21 GLN B 133 -8.851 -0.823 -20.521 1.00 33.20 H new ATOM 0 HE22 GLN B 133 -9.760 -1.052 -19.024 1.00 33.20 H new ATOM 1323 N LEU B 134 -5.335 4.725 -20.025 1.00 24.11 N ATOM 1324 CA LEU B 134 -5.598 6.179 -20.075 1.00 1.45 C ATOM 1325 C LEU B 134 -4.762 6.858 -21.172 1.00 32.25 C ATOM 1326 O LEU B 134 -5.223 7.811 -21.825 1.00 65.24 O ATOM 1327 CB LEU B 134 -5.355 6.818 -18.675 1.00 50.55 C ATOM 1328 CG LEU B 134 -5.848 8.295 -18.483 1.00 55.32 C ATOM 1329 CD1 LEU B 134 -7.266 8.487 -19.048 1.00 64.43 C ATOM 1330 CD2 LEU B 134 -5.789 8.716 -16.988 1.00 1.11 C ATOM 0 H LEU B 134 -4.680 4.452 -19.292 1.00 24.11 H new ATOM 0 HA LEU B 134 -6.645 6.336 -20.336 1.00 1.45 H new ATOM 0 HB2 LEU B 134 -5.845 6.195 -17.926 1.00 50.55 H new ATOM 0 HB3 LEU B 134 -4.286 6.786 -18.467 1.00 50.55 H new ATOM 0 HG LEU B 134 -5.173 8.942 -19.043 1.00 55.32 H new ATOM 0 HD11 LEU B 134 -7.580 9.520 -18.900 1.00 64.43 H new ATOM 0 HD12 LEU B 134 -7.268 8.256 -20.113 1.00 64.43 H new ATOM 0 HD13 LEU B 134 -7.957 7.821 -18.531 1.00 64.43 H new ATOM 0 HD21 LEU B 134 -6.136 9.744 -16.886 1.00 1.11 H new ATOM 0 HD22 LEU B 134 -6.427 8.057 -16.399 1.00 1.11 H new ATOM 0 HD23 LEU B 134 -4.762 8.643 -16.630 1.00 1.11 H new