USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=20 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: B 125 MET CE :methyl 140:sc= -0.246 (180deg=-2.18!) USER MOD Set 1.2: B 128 THR OG1 : rot 66:sc= 1.24 USER MOD Single : A 3 LYS NZ :NH3+ 151:sc= -0.222 (180deg=-0.783) 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= 0.0561 X(o=0.056,f=-0.1) USER MOD Single : A 13 ASN : amide:sc= -2.11 K(o=-2.1,f=-3.2!) USER MOD Single : A 15 LYS NZ :NH3+ -160:sc= 0.645 (180deg=0.406) USER MOD Single : A 17 LYS NZ :NH3+ 170:sc= -0.0165 (180deg=-0.139) USER MOD Single : A 19 GLN : amide:sc= -2.38 K(o=-2.4,f=-3.3!) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 77:sc= 0.794 USER MOD Single : A 24 ASN :FLIP amide:sc= -1.5 F(o=-3.7!,f=-1.5) USER MOD Single : A 25 MET CE :methyl -123:sc= 0 (180deg=-1.33) USER MOD Single : A 28 THR OG1 : rot 67:sc= 1.01 USER MOD Single : A 31 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0125) USER MOD Single : A 33 GLN :FLIP amide:sc= -3.54 F(o=-7.8!,f=-3.5) USER MOD Single : B 103 LYS NZ :NH3+ 165:sc= -0.328 (180deg=-0.658) 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= -0.248 X(o=-0.25,f=-0.091) USER MOD Single : B 113 ASN : amide:sc= -1.12 K(o=-1.1,f=-2.9!) USER MOD Single : B 115 LYS NZ :NH3+ -161:sc= 0.674 (180deg=0.461) USER MOD Single : B 117 LYS NZ :NH3+ 168:sc= -0.0388 (180deg=-0.222) USER MOD Single : B 119 GLN : amide:sc= -2.77! C(o=-2.8!,f=-3.5!) USER MOD Single : B 121 HIS : no HD1:sc=-0.000569 X(o=-0.00057,f=0) USER MOD Single : B 123 THR OG1 : rot 75:sc= 0.988 USER MOD Single : B 124 ASN :FLIP amide:sc= -0.787 F(o=-2.8!,f=-0.79) USER MOD Single : B 131 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0634) USER MOD Single : B 133 GLN :FLIP amide:sc= 0 F(o=-0.82,f=0) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 3 11.890 -8.221 22.270 1.00 2.44 N ATOM 36 CA LYS A 3 10.827 -7.213 22.458 1.00 62.14 C ATOM 37 C LYS A 3 10.935 -6.159 21.347 1.00 42.04 C ATOM 38 O LYS A 3 9.927 -5.698 20.795 1.00 13.43 O ATOM 39 CB LYS A 3 10.878 -6.584 23.890 1.00 12.53 C ATOM 40 CG LYS A 3 11.832 -5.382 24.148 1.00 44.13 C ATOM 41 CD LYS A 3 13.348 -5.675 23.909 1.00 63.04 C ATOM 42 CE LYS A 3 14.245 -4.942 24.912 1.00 51.43 C ATOM 43 NZ LYS A 3 13.921 -5.276 26.333 1.00 52.12 N ATOM 0 HA LYS A 3 9.852 -7.694 22.382 1.00 62.14 H new ATOM 0 HB2 LYS A 3 9.868 -6.264 24.146 1.00 12.53 H new ATOM 0 HB3 LYS A 3 11.148 -7.376 24.589 1.00 12.53 H new ATOM 0 HG2 LYS A 3 11.532 -4.555 23.504 1.00 44.13 H new ATOM 0 HG3 LYS A 3 11.700 -5.048 25.177 1.00 44.13 H new ATOM 0 HD2 LYS A 3 13.525 -6.748 23.983 1.00 63.04 H new ATOM 0 HD3 LYS A 3 13.619 -5.376 22.896 1.00 63.04 H new ATOM 0 HE2 LYS A 3 15.286 -5.195 24.713 1.00 51.43 H new ATOM 0 HE3 LYS A 3 14.144 -3.867 24.764 1.00 51.43 H new ATOM 0 HZ1 LYS A 3 14.779 -5.188 26.915 1.00 52.12 H new ATOM 0 HZ2 LYS A 3 13.194 -4.621 26.686 1.00 52.12 H new ATOM 0 HZ3 LYS A 3 13.564 -6.251 26.388 1.00 52.12 H new ATOM 57 N LYS A 4 12.199 -5.825 21.001 1.00 24.43 N ATOM 58 CA LYS A 4 12.496 -4.894 19.917 1.00 72.22 C ATOM 59 C LYS A 4 12.281 -5.597 18.579 1.00 4.15 C ATOM 60 O LYS A 4 11.923 -4.947 17.618 1.00 72.25 O ATOM 61 CB LYS A 4 13.928 -4.293 20.062 1.00 1.31 C ATOM 62 CG LYS A 4 15.110 -5.304 20.007 1.00 31.11 C ATOM 63 CD LYS A 4 15.687 -5.550 18.580 1.00 2.34 C ATOM 64 CE LYS A 4 16.237 -4.279 17.899 1.00 64.42 C ATOM 65 NZ LYS A 4 17.434 -3.734 18.600 1.00 73.02 N ATOM 0 H LYS A 4 13.027 -6.196 21.468 1.00 24.43 H new ATOM 0 HA LYS A 4 11.813 -4.046 19.965 1.00 72.22 H new ATOM 0 HB2 LYS A 4 14.071 -3.556 19.272 1.00 1.31 H new ATOM 0 HB3 LYS A 4 13.980 -3.758 21.010 1.00 1.31 H new ATOM 0 HG2 LYS A 4 15.911 -4.942 20.651 1.00 31.11 H new ATOM 0 HG3 LYS A 4 14.776 -6.256 20.419 1.00 31.11 H new ATOM 0 HD2 LYS A 4 16.485 -6.290 18.644 1.00 2.34 H new ATOM 0 HD3 LYS A 4 14.906 -5.978 17.952 1.00 2.34 H new ATOM 0 HE2 LYS A 4 16.497 -4.507 16.865 1.00 64.42 H new ATOM 0 HE3 LYS A 4 15.457 -3.518 17.871 1.00 64.42 H new ATOM 0 HZ1 LYS A 4 17.767 -2.881 18.106 1.00 73.02 H new ATOM 0 HZ2 LYS A 4 17.182 -3.491 19.579 1.00 73.02 H new ATOM 0 HZ3 LYS A 4 18.189 -4.449 18.604 1.00 73.02 H new ATOM 79 N LEU A 5 12.485 -6.943 18.545 1.00 44.13 N ATOM 80 CA LEU A 5 12.211 -7.783 17.353 1.00 23.31 C ATOM 81 C LEU A 5 10.766 -7.585 16.878 1.00 41.04 C ATOM 82 O LEU A 5 10.519 -7.353 15.689 1.00 42.22 O ATOM 83 CB LEU A 5 12.427 -9.288 17.665 1.00 61.12 C ATOM 84 CG LEU A 5 12.303 -10.259 16.447 1.00 22.12 C ATOM 85 CD1 LEU A 5 13.492 -10.078 15.491 1.00 51.12 C ATOM 86 CD2 LEU A 5 12.139 -11.729 16.895 1.00 51.34 C ATOM 0 H LEU A 5 12.843 -7.471 19.341 1.00 44.13 H new ATOM 0 HA LEU A 5 12.906 -7.474 16.572 1.00 23.31 H new ATOM 0 HB2 LEU A 5 13.417 -9.410 18.104 1.00 61.12 H new ATOM 0 HB3 LEU A 5 11.703 -9.590 18.422 1.00 61.12 H new ATOM 0 HG LEU A 5 11.394 -10.001 15.903 1.00 22.12 H new ATOM 0 HD11 LEU A 5 13.389 -10.762 14.649 1.00 51.12 H new ATOM 0 HD12 LEU A 5 13.511 -9.052 15.125 1.00 51.12 H new ATOM 0 HD13 LEU A 5 14.420 -10.292 16.021 1.00 51.12 H new ATOM 0 HD21 LEU A 5 12.056 -12.370 16.017 1.00 51.34 H new ATOM 0 HD22 LEU A 5 13.006 -12.029 17.483 1.00 51.34 H new ATOM 0 HD23 LEU A 5 11.238 -11.826 17.501 1.00 51.34 H new ATOM 98 N TYR A 6 9.831 -7.673 17.853 1.00 61.11 N ATOM 99 CA TYR A 6 8.394 -7.450 17.635 1.00 25.43 C ATOM 100 C TYR A 6 8.148 -6.053 17.027 1.00 0.25 C ATOM 101 O TYR A 6 7.373 -5.914 16.087 1.00 34.30 O ATOM 102 CB TYR A 6 7.630 -7.625 18.983 1.00 43.33 C ATOM 103 CG TYR A 6 6.102 -7.780 18.836 1.00 41.32 C ATOM 104 CD1 TYR A 6 5.248 -6.673 18.823 1.00 52.23 C ATOM 105 CD2 TYR A 6 5.519 -9.045 18.690 1.00 2.14 C ATOM 106 CE1 TYR A 6 3.882 -6.825 18.667 1.00 11.23 C ATOM 107 CE2 TYR A 6 4.155 -9.198 18.537 1.00 30.21 C ATOM 108 CZ TYR A 6 3.341 -8.085 18.521 1.00 60.24 C ATOM 109 OH TYR A 6 1.977 -8.229 18.351 1.00 45.34 O ATOM 0 H TYR A 6 10.062 -7.903 18.820 1.00 61.11 H new ATOM 0 HA TYR A 6 8.018 -8.186 16.925 1.00 25.43 H new ATOM 0 HB2 TYR A 6 8.024 -8.501 19.498 1.00 43.33 H new ATOM 0 HB3 TYR A 6 7.836 -6.763 19.617 1.00 43.33 H new ATOM 0 HD1 TYR A 6 5.662 -5.682 18.937 1.00 52.23 H new ATOM 0 HD2 TYR A 6 6.151 -9.921 18.697 1.00 2.14 H new ATOM 0 HE1 TYR A 6 3.239 -5.957 18.660 1.00 11.23 H new ATOM 0 HE2 TYR A 6 3.728 -10.184 18.430 1.00 30.21 H new ATOM 0 HH TYR A 6 1.757 -9.180 18.262 1.00 45.34 H new ATOM 119 N GLU A 7 8.862 -5.052 17.569 1.00 24.13 N ATOM 120 CA GLU A 7 8.791 -3.651 17.117 1.00 43.31 C ATOM 121 C GLU A 7 9.343 -3.464 15.685 1.00 61.01 C ATOM 122 O GLU A 7 8.765 -2.709 14.919 1.00 43.31 O ATOM 123 CB GLU A 7 9.576 -2.756 18.111 1.00 42.43 C ATOM 124 CG GLU A 7 8.958 -2.674 19.526 1.00 32.43 C ATOM 125 CD GLU A 7 9.823 -1.870 20.512 1.00 65.21 C ATOM 126 OE1 GLU A 7 9.757 -0.624 20.495 1.00 64.32 O ATOM 127 OE2 GLU A 7 10.584 -2.472 21.299 1.00 50.23 O ATOM 0 H GLU A 7 9.512 -5.194 18.342 1.00 24.13 H new ATOM 0 HA GLU A 7 7.741 -3.360 17.092 1.00 43.31 H new ATOM 0 HB2 GLU A 7 10.595 -3.135 18.195 1.00 42.43 H new ATOM 0 HB3 GLU A 7 9.643 -1.749 17.699 1.00 42.43 H new ATOM 0 HG2 GLU A 7 7.971 -2.216 19.460 1.00 32.43 H new ATOM 0 HG3 GLU A 7 8.816 -3.683 19.914 1.00 32.43 H new ATOM 134 N GLN A 8 10.455 -4.164 15.341 1.00 1.52 N ATOM 135 CA GLN A 8 11.154 -3.984 14.038 1.00 72.13 C ATOM 136 C GLN A 8 10.277 -4.418 12.868 1.00 41.24 C ATOM 137 O GLN A 8 9.986 -3.603 11.980 1.00 72.14 O ATOM 138 CB GLN A 8 12.519 -4.743 13.978 1.00 45.13 C ATOM 139 CG GLN A 8 13.535 -4.369 15.075 1.00 24.00 C ATOM 140 CD GLN A 8 13.596 -2.870 15.374 1.00 3.41 C ATOM 141 OE1 GLN A 8 14.368 -2.120 14.774 1.00 24.35 O ATOM 142 NE2 GLN A 8 12.748 -2.425 16.288 1.00 55.22 N ATOM 0 H GLN A 8 10.889 -4.860 15.948 1.00 1.52 H new ATOM 0 HA GLN A 8 11.359 -2.917 13.955 1.00 72.13 H new ATOM 0 HB2 GLN A 8 12.323 -5.813 14.039 1.00 45.13 H new ATOM 0 HB3 GLN A 8 12.976 -4.557 13.006 1.00 45.13 H new ATOM 0 HG2 GLN A 8 13.280 -4.903 15.991 1.00 24.00 H new ATOM 0 HG3 GLN A 8 14.525 -4.710 14.772 1.00 24.00 H new ATOM 0 HE21 GLN A 8 12.124 -3.076 16.764 1.00 55.22 H new ATOM 0 HE22 GLN A 8 12.719 -1.431 16.516 1.00 55.22 H new ATOM 151 N ILE A 9 9.862 -5.705 12.882 1.00 13.03 N ATOM 152 CA ILE A 9 9.042 -6.281 11.806 1.00 55.22 C ATOM 153 C ILE A 9 7.724 -5.500 11.660 1.00 62.03 C ATOM 154 O ILE A 9 7.356 -5.113 10.562 1.00 50.32 O ATOM 155 CB ILE A 9 8.653 -7.783 12.045 1.00 1.44 C ATOM 156 CG1 ILE A 9 9.773 -8.603 12.733 1.00 44.33 C ATOM 157 CG2 ILE A 9 8.242 -8.446 10.705 1.00 32.05 C ATOM 158 CD1 ILE A 9 9.279 -9.931 13.274 1.00 11.45 C ATOM 0 H ILE A 9 10.085 -6.361 13.631 1.00 13.03 H new ATOM 0 HA ILE A 9 9.661 -6.216 10.912 1.00 55.22 H new ATOM 0 HB ILE A 9 7.806 -7.783 12.732 1.00 1.44 H new ATOM 0 HG12 ILE A 9 10.577 -8.783 12.019 1.00 44.33 H new ATOM 0 HG13 ILE A 9 10.197 -8.018 13.549 1.00 44.33 H new ATOM 0 HG21 ILE A 9 7.974 -9.488 10.882 1.00 32.05 H new ATOM 0 HG22 ILE A 9 7.386 -7.917 10.285 1.00 32.05 H new ATOM 0 HG23 ILE A 9 9.076 -8.400 10.005 1.00 32.05 H new ATOM 0 HD11 ILE A 9 10.106 -10.462 13.745 1.00 11.45 H new ATOM 0 HD12 ILE A 9 8.495 -9.755 14.010 1.00 11.45 H new ATOM 0 HD13 ILE A 9 8.881 -10.532 12.456 1.00 11.45 H new ATOM 170 N LEU A 10 7.044 -5.296 12.811 1.00 52.42 N ATOM 171 CA LEU A 10 5.696 -4.702 12.874 1.00 2.32 C ATOM 172 C LEU A 10 5.694 -3.201 12.534 1.00 73.45 C ATOM 173 O LEU A 10 4.672 -2.678 12.096 1.00 31.12 O ATOM 174 CB LEU A 10 5.067 -4.949 14.266 1.00 64.14 C ATOM 175 CG LEU A 10 3.529 -4.685 14.394 1.00 53.24 C ATOM 176 CD1 LEU A 10 2.710 -5.551 13.408 1.00 72.41 C ATOM 177 CD2 LEU A 10 3.059 -4.893 15.844 1.00 61.11 C ATOM 0 H LEU A 10 7.421 -5.542 13.726 1.00 52.42 H new ATOM 0 HA LEU A 10 5.091 -5.195 12.114 1.00 2.32 H new ATOM 0 HB2 LEU A 10 5.260 -5.984 14.549 1.00 64.14 H new ATOM 0 HB3 LEU A 10 5.583 -4.319 14.990 1.00 64.14 H new ATOM 0 HG LEU A 10 3.351 -3.644 14.125 1.00 53.24 H new ATOM 0 HD11 LEU A 10 1.648 -5.336 13.530 1.00 72.41 H new ATOM 0 HD12 LEU A 10 3.011 -5.322 12.386 1.00 72.41 H new ATOM 0 HD13 LEU A 10 2.893 -6.606 13.612 1.00 72.41 H new ATOM 0 HD21 LEU A 10 1.987 -4.704 15.910 1.00 61.11 H new ATOM 0 HD22 LEU A 10 3.266 -5.918 16.150 1.00 61.11 H new ATOM 0 HD23 LEU A 10 3.590 -4.204 16.501 1.00 61.11 H new ATOM 189 N ALA A 11 6.833 -2.514 12.755 1.00 14.33 N ATOM 190 CA ALA A 11 7.021 -1.114 12.305 1.00 41.50 C ATOM 191 C ALA A 11 6.905 -1.032 10.771 1.00 64.42 C ATOM 192 O ALA A 11 6.118 -0.235 10.243 1.00 33.33 O ATOM 193 CB ALA A 11 8.377 -0.559 12.771 1.00 43.25 C ATOM 0 H ALA A 11 7.639 -2.904 13.243 1.00 14.33 H new ATOM 0 HA ALA A 11 6.238 -0.503 12.753 1.00 41.50 H new ATOM 0 HB1 ALA A 11 8.487 0.469 12.426 1.00 43.25 H new ATOM 0 HB2 ALA A 11 8.426 -0.584 13.860 1.00 43.25 H new ATOM 0 HB3 ALA A 11 9.181 -1.168 12.358 1.00 43.25 H new ATOM 199 N GLU A 12 7.671 -1.900 10.073 1.00 41.13 N ATOM 200 CA GLU A 12 7.632 -1.994 8.606 1.00 43.21 C ATOM 201 C GLU A 12 6.252 -2.495 8.139 1.00 45.43 C ATOM 202 O GLU A 12 5.660 -1.927 7.235 1.00 31.05 O ATOM 203 CB GLU A 12 8.728 -2.956 8.075 1.00 71.23 C ATOM 204 CG GLU A 12 8.829 -3.016 6.526 1.00 34.24 C ATOM 205 CD GLU A 12 9.566 -1.812 5.904 1.00 4.32 C ATOM 206 OE1 GLU A 12 9.066 -0.680 6.007 1.00 43.02 O ATOM 207 OE2 GLU A 12 10.639 -1.999 5.294 1.00 33.23 O ATOM 0 H GLU A 12 8.326 -2.547 10.511 1.00 41.13 H new ATOM 0 HA GLU A 12 7.817 -0.997 8.207 1.00 43.21 H new ATOM 0 HB2 GLU A 12 9.692 -2.648 8.479 1.00 71.23 H new ATOM 0 HB3 GLU A 12 8.530 -3.959 8.454 1.00 71.23 H new ATOM 0 HG2 GLU A 12 9.344 -3.933 6.240 1.00 34.24 H new ATOM 0 HG3 GLU A 12 7.824 -3.071 6.107 1.00 34.24 H new ATOM 214 N ASN A 13 5.760 -3.541 8.828 1.00 54.52 N ATOM 215 CA ASN A 13 4.497 -4.253 8.518 1.00 11.34 C ATOM 216 C ASN A 13 3.303 -3.278 8.538 1.00 33.31 C ATOM 217 O ASN A 13 2.458 -3.297 7.632 1.00 61.40 O ATOM 218 CB ASN A 13 4.309 -5.387 9.563 1.00 10.02 C ATOM 219 CG ASN A 13 3.074 -6.261 9.359 1.00 72.14 C ATOM 220 OD1 ASN A 13 1.975 -5.894 9.747 1.00 31.45 O ATOM 221 ND2 ASN A 13 3.252 -7.449 8.803 1.00 23.20 N ATOM 0 H ASN A 13 6.241 -3.929 9.640 1.00 54.52 H new ATOM 0 HA ASN A 13 4.546 -4.681 7.517 1.00 11.34 H new ATOM 0 HB2 ASN A 13 5.193 -6.025 9.546 1.00 10.02 H new ATOM 0 HB3 ASN A 13 4.258 -4.940 10.556 1.00 10.02 H new ATOM 0 HD21 ASN A 13 2.461 -8.083 8.690 1.00 23.20 H new ATOM 0 HD22 ASN A 13 4.180 -7.731 8.488 1.00 23.20 H new ATOM 228 N GLU A 14 3.283 -2.401 9.567 1.00 53.53 N ATOM 229 CA GLU A 14 2.275 -1.344 9.721 1.00 34.03 C ATOM 230 C GLU A 14 2.343 -0.381 8.541 1.00 52.30 C ATOM 231 O GLU A 14 1.317 -0.131 7.890 1.00 60.10 O ATOM 232 CB GLU A 14 2.446 -0.584 11.073 1.00 34.41 C ATOM 233 CG GLU A 14 1.878 0.859 11.075 1.00 63.21 C ATOM 234 CD GLU A 14 1.481 1.379 12.464 1.00 1.12 C ATOM 235 OE1 GLU A 14 0.410 0.972 12.962 1.00 72.30 O ATOM 236 OE2 GLU A 14 2.222 2.189 13.062 1.00 24.10 O ATOM 0 H GLU A 14 3.975 -2.413 10.317 1.00 53.53 H new ATOM 0 HA GLU A 14 1.290 -1.811 9.735 1.00 34.03 H new ATOM 0 HB2 GLU A 14 1.955 -1.155 11.861 1.00 34.41 H new ATOM 0 HB3 GLU A 14 3.507 -0.544 11.321 1.00 34.41 H new ATOM 0 HG2 GLU A 14 2.622 1.531 10.647 1.00 63.21 H new ATOM 0 HG3 GLU A 14 1.005 0.894 10.423 1.00 63.21 H new ATOM 243 N LYS A 15 3.565 0.144 8.279 1.00 33.22 N ATOM 244 CA LYS A 15 3.827 1.027 7.134 1.00 40.11 C ATOM 245 C LYS A 15 3.281 0.407 5.837 1.00 52.14 C ATOM 246 O LYS A 15 2.668 1.103 5.043 1.00 72.44 O ATOM 247 CB LYS A 15 5.346 1.297 6.946 1.00 53.52 C ATOM 248 CG LYS A 15 5.668 2.377 5.864 1.00 4.44 C ATOM 249 CD LYS A 15 7.022 2.160 5.145 1.00 12.52 C ATOM 250 CE LYS A 15 6.985 0.955 4.183 1.00 3.50 C ATOM 251 NZ LYS A 15 8.320 0.693 3.574 1.00 41.43 N ATOM 0 H LYS A 15 4.387 -0.036 8.856 1.00 33.22 H new ATOM 0 HA LYS A 15 3.323 1.970 7.344 1.00 40.11 H new ATOM 0 HB2 LYS A 15 5.769 1.614 7.899 1.00 53.52 H new ATOM 0 HB3 LYS A 15 5.840 0.364 6.673 1.00 53.52 H new ATOM 0 HG2 LYS A 15 4.870 2.382 5.121 1.00 4.44 H new ATOM 0 HG3 LYS A 15 5.671 3.360 6.335 1.00 4.44 H new ATOM 0 HD2 LYS A 15 7.284 3.060 4.588 1.00 12.52 H new ATOM 0 HD3 LYS A 15 7.805 2.006 5.887 1.00 12.52 H new ATOM 0 HE2 LYS A 15 6.651 0.069 4.723 1.00 3.50 H new ATOM 0 HE3 LYS A 15 6.256 1.141 3.395 1.00 3.50 H new ATOM 0 HZ1 LYS A 15 8.202 0.127 2.710 1.00 41.43 H new ATOM 0 HZ2 LYS A 15 8.777 1.597 3.337 1.00 41.43 H new ATOM 0 HZ3 LYS A 15 8.914 0.172 4.250 1.00 41.43 H new ATOM 265 N LEU A 16 3.477 -0.921 5.690 1.00 62.22 N ATOM 266 CA LEU A 16 3.069 -1.680 4.501 1.00 32.04 C ATOM 267 C LEU A 16 1.540 -1.703 4.335 1.00 50.54 C ATOM 268 O LEU A 16 1.054 -1.670 3.203 1.00 23.41 O ATOM 269 CB LEU A 16 3.661 -3.112 4.533 1.00 53.13 C ATOM 270 CG LEU A 16 5.217 -3.198 4.427 1.00 61.00 C ATOM 271 CD1 LEU A 16 5.725 -4.641 4.600 1.00 65.24 C ATOM 272 CD2 LEU A 16 5.721 -2.579 3.115 1.00 43.23 C ATOM 0 H LEU A 16 3.927 -1.496 6.402 1.00 62.22 H new ATOM 0 HA LEU A 16 3.473 -1.169 3.627 1.00 32.04 H new ATOM 0 HB2 LEU A 16 3.350 -3.594 5.460 1.00 53.13 H new ATOM 0 HB3 LEU A 16 3.226 -3.685 3.714 1.00 53.13 H new ATOM 0 HG LEU A 16 5.629 -2.613 5.249 1.00 61.00 H new ATOM 0 HD11 LEU A 16 6.812 -4.656 4.519 1.00 65.24 H new ATOM 0 HD12 LEU A 16 5.429 -5.016 5.580 1.00 65.24 H new ATOM 0 HD13 LEU A 16 5.295 -5.274 3.824 1.00 65.24 H new ATOM 0 HD21 LEU A 16 6.808 -2.654 3.071 1.00 43.23 H new ATOM 0 HD22 LEU A 16 5.286 -3.113 2.270 1.00 43.23 H new ATOM 0 HD23 LEU A 16 5.428 -1.530 3.071 1.00 43.23 H new ATOM 284 N LYS A 17 0.788 -1.731 5.462 1.00 71.15 N ATOM 285 CA LYS A 17 -0.693 -1.586 5.436 1.00 32.22 C ATOM 286 C LYS A 17 -1.110 -0.170 4.996 1.00 54.25 C ATOM 287 O LYS A 17 -2.119 -0.001 4.299 1.00 51.33 O ATOM 288 CB LYS A 17 -1.380 -1.952 6.795 1.00 31.10 C ATOM 289 CG LYS A 17 -1.728 -3.467 6.964 1.00 32.41 C ATOM 290 CD LYS A 17 -0.641 -4.287 7.672 1.00 44.24 C ATOM 291 CE LYS A 17 -0.466 -3.886 9.153 1.00 53.31 C ATOM 292 NZ LYS A 17 -1.705 -4.099 9.956 1.00 43.20 N ATOM 0 H LYS A 17 1.178 -1.852 6.397 1.00 71.15 H new ATOM 0 HA LYS A 17 -1.044 -2.309 4.699 1.00 32.22 H new ATOM 0 HB2 LYS A 17 -0.723 -1.651 7.611 1.00 31.10 H new ATOM 0 HB3 LYS A 17 -2.296 -1.370 6.892 1.00 31.10 H new ATOM 0 HG2 LYS A 17 -2.657 -3.554 7.527 1.00 32.41 H new ATOM 0 HG3 LYS A 17 -1.910 -3.899 5.980 1.00 32.41 H new ATOM 0 HD2 LYS A 17 -0.893 -5.346 7.613 1.00 44.24 H new ATOM 0 HD3 LYS A 17 0.306 -4.156 7.149 1.00 44.24 H new ATOM 0 HE2 LYS A 17 0.349 -4.465 9.588 1.00 53.31 H new ATOM 0 HE3 LYS A 17 -0.177 -2.837 9.210 1.00 53.31 H new ATOM 0 HZ1 LYS A 17 -1.489 -3.978 10.966 1.00 43.20 H new ATOM 0 HZ2 LYS A 17 -2.427 -3.407 9.671 1.00 43.20 H new ATOM 0 HZ3 LYS A 17 -2.064 -5.061 9.792 1.00 43.20 H new ATOM 306 N ALA A 18 -0.320 0.835 5.400 1.00 3.24 N ATOM 307 CA ALA A 18 -0.623 2.245 5.108 1.00 20.33 C ATOM 308 C ALA A 18 -0.439 2.528 3.609 1.00 33.34 C ATOM 309 O ALA A 18 -1.395 2.890 2.923 1.00 52.24 O ATOM 310 CB ALA A 18 0.265 3.159 5.960 1.00 31.55 C ATOM 0 H ALA A 18 0.539 0.697 5.933 1.00 3.24 H new ATOM 0 HA ALA A 18 -1.663 2.449 5.362 1.00 20.33 H new ATOM 0 HB1 ALA A 18 0.034 4.201 5.738 1.00 31.55 H new ATOM 0 HB2 ALA A 18 0.080 2.964 7.016 1.00 31.55 H new ATOM 0 HB3 ALA A 18 1.313 2.963 5.733 1.00 31.55 H new ATOM 316 N GLN A 19 0.793 2.279 3.117 1.00 14.35 N ATOM 317 CA GLN A 19 1.184 2.526 1.717 1.00 52.55 C ATOM 318 C GLN A 19 0.380 1.675 0.729 1.00 11.01 C ATOM 319 O GLN A 19 0.141 2.122 -0.398 1.00 13.30 O ATOM 320 CB GLN A 19 2.711 2.285 1.547 1.00 74.41 C ATOM 321 CG GLN A 19 3.220 0.922 2.076 1.00 22.21 C ATOM 322 CD GLN A 19 3.546 -0.129 1.015 1.00 75.10 C ATOM 323 OE1 GLN A 19 4.634 -0.139 0.449 1.00 51.10 O ATOM 324 NE2 GLN A 19 2.620 -1.052 0.783 1.00 65.04 N ATOM 0 H GLN A 19 1.549 1.898 3.686 1.00 14.35 H new ATOM 0 HA GLN A 19 0.957 3.567 1.486 1.00 52.55 H new ATOM 0 HB2 GLN A 19 2.961 2.363 0.489 1.00 74.41 H new ATOM 0 HB3 GLN A 19 3.249 3.081 2.061 1.00 74.41 H new ATOM 0 HG2 GLN A 19 4.115 1.098 2.672 1.00 22.21 H new ATOM 0 HG3 GLN A 19 2.466 0.511 2.747 1.00 22.21 H new ATOM 0 HE21 GLN A 19 1.726 -1.012 1.273 1.00 65.04 H new ATOM 0 HE22 GLN A 19 2.803 -1.801 0.115 1.00 65.04 H new ATOM 333 N LEU A 20 -0.017 0.438 1.136 1.00 61.02 N ATOM 334 CA LEU A 20 -0.884 -0.391 0.287 1.00 34.23 C ATOM 335 C LEU A 20 -2.243 0.279 0.177 1.00 53.45 C ATOM 336 O LEU A 20 -2.773 0.370 -0.906 1.00 25.24 O ATOM 337 CB LEU A 20 -1.005 -1.888 0.754 1.00 52.10 C ATOM 338 CG LEU A 20 -2.014 -2.311 1.912 1.00 72.11 C ATOM 339 CD1 LEU A 20 -3.475 -2.470 1.432 1.00 62.31 C ATOM 340 CD2 LEU A 20 -1.570 -3.617 2.601 1.00 62.21 C ATOM 0 H LEU A 20 0.247 0.012 2.024 1.00 61.02 H new ATOM 0 HA LEU A 20 -0.417 -0.456 -0.696 1.00 34.23 H new ATOM 0 HB2 LEU A 20 -1.266 -2.476 -0.126 1.00 52.10 H new ATOM 0 HB3 LEU A 20 -0.010 -2.206 1.067 1.00 52.10 H new ATOM 0 HG LEU A 20 -1.985 -1.486 2.624 1.00 72.11 H new ATOM 0 HD11 LEU A 20 -4.105 -2.759 2.273 1.00 62.31 H new ATOM 0 HD12 LEU A 20 -3.828 -1.524 1.022 1.00 62.31 H new ATOM 0 HD13 LEU A 20 -3.523 -3.240 0.662 1.00 62.31 H new ATOM 0 HD21 LEU A 20 -2.282 -3.875 3.385 1.00 62.21 H new ATOM 0 HD22 LEU A 20 -1.532 -4.421 1.866 1.00 62.21 H new ATOM 0 HD23 LEU A 20 -0.581 -3.479 3.039 1.00 62.21 H new ATOM 352 N HIS A 21 -2.775 0.786 1.316 1.00 72.45 N ATOM 353 CA HIS A 21 -4.125 1.378 1.370 1.00 13.20 C ATOM 354 C HIS A 21 -4.201 2.615 0.467 1.00 13.32 C ATOM 355 O HIS A 21 -5.236 2.851 -0.149 1.00 34.22 O ATOM 356 CB HIS A 21 -4.533 1.716 2.826 1.00 64.03 C ATOM 357 CG HIS A 21 -5.985 2.114 2.976 1.00 53.22 C ATOM 358 ND1 HIS A 21 -6.999 1.189 3.101 1.00 61.44 N ATOM 359 CD2 HIS A 21 -6.593 3.328 2.995 1.00 73.10 C ATOM 360 CE1 HIS A 21 -8.156 1.807 3.194 1.00 72.44 C ATOM 361 NE2 HIS A 21 -7.933 3.104 3.133 1.00 2.11 N ATOM 0 H HIS A 21 -2.284 0.794 2.210 1.00 72.45 H new ATOM 0 HA HIS A 21 -4.837 0.641 0.999 1.00 13.20 H new ATOM 0 HB2 HIS A 21 -4.336 0.851 3.459 1.00 64.03 H new ATOM 0 HB3 HIS A 21 -3.904 2.528 3.191 1.00 64.03 H new ATOM 0 HD2 HIS A 21 -6.108 4.290 2.916 1.00 73.10 H new ATOM 0 HE1 HIS A 21 -9.121 1.334 3.302 1.00 72.44 H new ATOM 0 HE2 HIS A 21 -8.650 3.828 3.181 1.00 2.11 H new ATOM 370 N ASP A 22 -3.078 3.369 0.388 1.00 34.11 N ATOM 371 CA ASP A 22 -2.922 4.489 -0.561 1.00 1.34 C ATOM 372 C ASP A 22 -2.996 3.977 -2.002 1.00 24.21 C ATOM 373 O ASP A 22 -3.853 4.407 -2.767 1.00 53.10 O ATOM 374 CB ASP A 22 -1.578 5.239 -0.349 1.00 0.14 C ATOM 375 CG ASP A 22 -1.524 6.032 0.963 1.00 2.14 C ATOM 376 OD1 ASP A 22 -2.055 7.164 1.009 1.00 12.53 O ATOM 377 OD2 ASP A 22 -0.950 5.535 1.952 1.00 31.54 O ATOM 0 H ASP A 22 -2.261 3.216 0.979 1.00 34.11 H new ATOM 0 HA ASP A 22 -3.737 5.189 -0.375 1.00 1.34 H new ATOM 0 HB2 ASP A 22 -0.761 4.517 -0.363 1.00 0.14 H new ATOM 0 HB3 ASP A 22 -1.415 5.920 -1.184 1.00 0.14 H new ATOM 382 N THR A 23 -2.109 3.017 -2.336 1.00 74.35 N ATOM 383 CA THR A 23 -1.959 2.500 -3.706 1.00 55.11 C ATOM 384 C THR A 23 -3.208 1.711 -4.173 1.00 72.04 C ATOM 385 O THR A 23 -3.500 1.674 -5.362 1.00 55.13 O ATOM 386 CB THR A 23 -0.662 1.632 -3.838 1.00 32.43 C ATOM 387 OG1 THR A 23 0.442 2.351 -3.262 1.00 41.30 O ATOM 388 CG2 THR A 23 -0.318 1.303 -5.305 1.00 13.32 C ATOM 0 H THR A 23 -1.479 2.581 -1.663 1.00 74.35 H new ATOM 0 HA THR A 23 -1.862 3.362 -4.366 1.00 55.11 H new ATOM 0 HB THR A 23 -0.844 0.692 -3.317 1.00 32.43 H new ATOM 0 HG1 THR A 23 0.396 2.293 -2.285 1.00 41.30 H new ATOM 0 HG21 THR A 23 0.589 0.700 -5.340 1.00 13.32 H new ATOM 0 HG22 THR A 23 -1.140 0.748 -5.756 1.00 13.32 H new ATOM 0 HG23 THR A 23 -0.159 2.229 -5.858 1.00 13.32 H new ATOM 396 N ASN A 24 -3.962 1.137 -3.214 1.00 0.03 N ATOM 397 CA ASN A 24 -5.171 0.337 -3.492 1.00 72.10 C ATOM 398 C ASN A 24 -6.339 1.274 -3.802 1.00 1.43 C ATOM 399 O ASN A 24 -7.029 1.085 -4.804 1.00 22.53 O ATOM 400 CB ASN A 24 -5.548 -0.609 -2.299 1.00 10.12 C ATOM 401 CG ASN A 24 -4.680 -1.875 -2.158 1.00 33.14 C ATOM 402 OD1 ASN A 24 -3.381 -1.786 -2.399 1.00 63.43 O flip ATOM 403 ND2 ASN A 24 -5.181 -2.938 -1.790 1.00 52.04 N flip ATOM 0 H ASN A 24 -3.748 1.216 -2.220 1.00 0.03 H new ATOM 0 HA ASN A 24 -4.958 -0.298 -4.352 1.00 72.10 H new ATOM 0 HB2 ASN A 24 -5.483 -0.040 -1.372 1.00 10.12 H new ATOM 0 HB3 ASN A 24 -6.588 -0.913 -2.414 1.00 10.12 H new ATOM 0 HD21 ASN A 24 -6.183 -2.993 -1.608 1.00 52.04 H new ATOM 0 HD22 ASN A 24 -4.594 -3.763 -1.668 1.00 52.04 H new ATOM 410 N MET A 25 -6.534 2.306 -2.941 1.00 72.22 N ATOM 411 CA MET A 25 -7.662 3.244 -3.088 1.00 24.33 C ATOM 412 C MET A 25 -7.471 4.100 -4.349 1.00 32.11 C ATOM 413 O MET A 25 -8.428 4.328 -5.084 1.00 31.15 O ATOM 414 CB MET A 25 -7.859 4.156 -1.834 1.00 54.11 C ATOM 415 CG MET A 25 -6.742 5.180 -1.582 1.00 35.10 C ATOM 416 SD MET A 25 -7.108 6.317 -0.231 1.00 41.34 S ATOM 417 CE MET A 25 -5.671 7.390 -0.289 1.00 72.21 C ATOM 0 H MET A 25 -5.926 2.503 -2.146 1.00 72.22 H new ATOM 0 HA MET A 25 -8.568 2.645 -3.184 1.00 24.33 H new ATOM 0 HB2 MET A 25 -8.802 4.692 -1.940 1.00 54.11 H new ATOM 0 HB3 MET A 25 -7.951 3.520 -0.954 1.00 54.11 H new ATOM 0 HG2 MET A 25 -5.816 4.650 -1.361 1.00 35.10 H new ATOM 0 HG3 MET A 25 -6.571 5.753 -2.494 1.00 35.10 H new ATOM 0 HE1 MET A 25 -5.171 7.381 0.680 1.00 72.21 H new ATOM 0 HE2 MET A 25 -4.983 7.035 -1.056 1.00 72.21 H new ATOM 0 HE3 MET A 25 -5.985 8.407 -0.526 1.00 72.21 H new ATOM 427 N GLU A 26 -6.209 4.523 -4.615 1.00 74.15 N ATOM 428 CA GLU A 26 -5.895 5.385 -5.760 1.00 12.10 C ATOM 429 C GLU A 26 -5.921 4.570 -7.053 1.00 44.33 C ATOM 430 O GLU A 26 -6.217 5.126 -8.096 1.00 21.32 O ATOM 431 CB GLU A 26 -4.544 6.137 -5.577 1.00 62.13 C ATOM 432 CG GLU A 26 -3.269 5.279 -5.760 1.00 74.23 C ATOM 433 CD GLU A 26 -1.949 6.015 -5.452 1.00 53.54 C ATOM 434 OE1 GLU A 26 -1.874 7.243 -5.658 1.00 22.00 O ATOM 435 OE2 GLU A 26 -0.962 5.366 -5.051 1.00 72.24 O ATOM 0 H GLU A 26 -5.399 4.276 -4.046 1.00 74.15 H new ATOM 0 HA GLU A 26 -6.664 6.155 -5.823 1.00 12.10 H new ATOM 0 HB2 GLU A 26 -4.509 6.963 -6.288 1.00 62.13 H new ATOM 0 HB3 GLU A 26 -4.525 6.575 -4.579 1.00 62.13 H new ATOM 0 HG2 GLU A 26 -3.341 4.404 -5.115 1.00 74.23 H new ATOM 0 HG3 GLU A 26 -3.236 4.916 -6.787 1.00 74.23 H new ATOM 442 N LEU A 27 -5.618 3.252 -6.972 1.00 10.31 N ATOM 443 CA LEU A 27 -5.817 2.318 -8.091 1.00 2.23 C ATOM 444 C LEU A 27 -7.316 2.194 -8.422 1.00 53.30 C ATOM 445 O LEU A 27 -7.682 2.213 -9.590 1.00 54.41 O ATOM 446 CB LEU A 27 -5.244 0.924 -7.758 1.00 42.33 C ATOM 447 CG LEU A 27 -5.459 -0.181 -8.835 1.00 11.20 C ATOM 448 CD1 LEU A 27 -4.769 0.187 -10.165 1.00 54.12 C ATOM 449 CD2 LEU A 27 -5.024 -1.565 -8.318 1.00 41.53 C ATOM 0 H LEU A 27 -5.233 2.816 -6.134 1.00 10.31 H new ATOM 0 HA LEU A 27 -5.286 2.714 -8.957 1.00 2.23 H new ATOM 0 HB2 LEU A 27 -4.173 1.027 -7.581 1.00 42.33 H new ATOM 0 HB3 LEU A 27 -5.691 0.584 -6.824 1.00 42.33 H new ATOM 0 HG LEU A 27 -6.528 -0.242 -9.038 1.00 11.20 H new ATOM 0 HD11 LEU A 27 -4.939 -0.605 -10.894 1.00 54.12 H new ATOM 0 HD12 LEU A 27 -5.182 1.122 -10.543 1.00 54.12 H new ATOM 0 HD13 LEU A 27 -3.698 0.304 -9.999 1.00 54.12 H new ATOM 0 HD21 LEU A 27 -5.188 -2.312 -9.095 1.00 41.53 H new ATOM 0 HD22 LEU A 27 -3.966 -1.540 -8.056 1.00 41.53 H new ATOM 0 HD23 LEU A 27 -5.610 -1.825 -7.436 1.00 41.53 H new ATOM 461 N THR A 28 -8.163 2.082 -7.368 1.00 74.20 N ATOM 462 CA THR A 28 -9.627 1.934 -7.513 1.00 24.01 C ATOM 463 C THR A 28 -10.222 3.164 -8.231 1.00 41.40 C ATOM 464 O THR A 28 -10.963 3.021 -9.213 1.00 21.34 O ATOM 465 CB THR A 28 -10.309 1.717 -6.116 1.00 53.25 C ATOM 466 OG1 THR A 28 -9.728 0.567 -5.464 1.00 44.35 O ATOM 467 CG2 THR A 28 -11.834 1.513 -6.227 1.00 54.02 C ATOM 0 H THR A 28 -7.848 2.092 -6.398 1.00 74.20 H new ATOM 0 HA THR A 28 -9.825 1.051 -8.121 1.00 24.01 H new ATOM 0 HB THR A 28 -10.135 2.621 -5.532 1.00 53.25 H new ATOM 0 HG1 THR A 28 -8.793 0.755 -5.241 1.00 44.35 H new ATOM 0 HG21 THR A 28 -12.255 1.368 -5.232 1.00 54.02 H new ATOM 0 HG22 THR A 28 -12.286 2.392 -6.687 1.00 54.02 H new ATOM 0 HG23 THR A 28 -12.040 0.636 -6.840 1.00 54.02 H new ATOM 475 N ASP A 29 -9.839 4.364 -7.746 1.00 41.40 N ATOM 476 CA ASP A 29 -10.180 5.648 -8.386 1.00 64.35 C ATOM 477 C ASP A 29 -9.640 5.700 -9.823 1.00 72.21 C ATOM 478 O ASP A 29 -10.370 6.085 -10.739 1.00 72.23 O ATOM 479 CB ASP A 29 -9.600 6.851 -7.579 1.00 41.21 C ATOM 480 CG ASP A 29 -10.386 7.182 -6.299 1.00 61.11 C ATOM 481 OD1 ASP A 29 -11.249 8.087 -6.335 1.00 35.23 O ATOM 482 OD2 ASP A 29 -10.146 6.548 -5.255 1.00 21.53 O ATOM 0 H ASP A 29 -9.283 4.468 -6.897 1.00 41.40 H new ATOM 0 HA ASP A 29 -11.267 5.723 -8.404 1.00 64.35 H new ATOM 0 HB2 ASP A 29 -8.566 6.632 -7.312 1.00 41.21 H new ATOM 0 HB3 ASP A 29 -9.583 7.732 -8.221 1.00 41.21 H new ATOM 487 N LEU A 30 -8.369 5.262 -10.007 1.00 21.22 N ATOM 488 CA LEU A 30 -7.639 5.449 -11.266 1.00 63.44 C ATOM 489 C LEU A 30 -8.242 4.587 -12.378 1.00 42.14 C ATOM 490 O LEU A 30 -8.372 5.054 -13.495 1.00 41.23 O ATOM 491 CB LEU A 30 -6.111 5.158 -11.114 1.00 14.14 C ATOM 492 CG LEU A 30 -5.184 5.830 -12.178 1.00 4.44 C ATOM 493 CD1 LEU A 30 -5.323 7.365 -12.138 1.00 70.51 C ATOM 494 CD2 LEU A 30 -3.712 5.410 -12.006 1.00 20.20 C ATOM 0 H LEU A 30 -7.834 4.775 -9.288 1.00 21.22 H new ATOM 0 HA LEU A 30 -7.742 6.499 -11.540 1.00 63.44 H new ATOM 0 HB2 LEU A 30 -5.794 5.486 -10.124 1.00 14.14 H new ATOM 0 HB3 LEU A 30 -5.959 4.079 -11.156 1.00 14.14 H new ATOM 0 HG LEU A 30 -5.510 5.479 -13.157 1.00 4.44 H new ATOM 0 HD11 LEU A 30 -4.668 7.809 -12.887 1.00 70.51 H new ATOM 0 HD12 LEU A 30 -6.356 7.642 -12.348 1.00 70.51 H new ATOM 0 HD13 LEU A 30 -5.043 7.730 -11.150 1.00 70.51 H new ATOM 0 HD21 LEU A 30 -3.103 5.900 -12.766 1.00 20.20 H new ATOM 0 HD22 LEU A 30 -3.363 5.704 -11.016 1.00 20.20 H new ATOM 0 HD23 LEU A 30 -3.627 4.329 -12.115 1.00 20.20 H new ATOM 506 N LYS A 31 -8.637 3.334 -12.051 1.00 15.32 N ATOM 507 CA LYS A 31 -9.205 2.397 -13.041 1.00 44.20 C ATOM 508 C LYS A 31 -10.647 2.776 -13.385 1.00 73.54 C ATOM 509 O LYS A 31 -11.063 2.609 -14.533 1.00 33.02 O ATOM 510 CB LYS A 31 -9.060 0.900 -12.578 1.00 72.32 C ATOM 511 CG LYS A 31 -9.767 0.473 -11.260 1.00 0.44 C ATOM 512 CD LYS A 31 -11.278 0.169 -11.419 1.00 13.24 C ATOM 513 CE LYS A 31 -11.936 -0.261 -10.101 1.00 71.13 C ATOM 514 NZ LYS A 31 -11.452 -1.589 -9.637 1.00 35.13 N ATOM 0 H LYS A 31 -8.571 2.951 -11.108 1.00 15.32 H new ATOM 0 HA LYS A 31 -8.626 2.483 -13.961 1.00 44.20 H new ATOM 0 HB2 LYS A 31 -9.436 0.264 -13.380 1.00 72.32 H new ATOM 0 HB3 LYS A 31 -7.997 0.684 -12.472 1.00 72.32 H new ATOM 0 HG2 LYS A 31 -9.269 -0.412 -10.864 1.00 0.44 H new ATOM 0 HG3 LYS A 31 -9.643 1.265 -10.521 1.00 0.44 H new ATOM 0 HD2 LYS A 31 -11.785 1.055 -11.801 1.00 13.24 H new ATOM 0 HD3 LYS A 31 -11.410 -0.619 -12.161 1.00 13.24 H new ATOM 0 HE2 LYS A 31 -11.731 0.486 -9.334 1.00 71.13 H new ATOM 0 HE3 LYS A 31 -13.018 -0.296 -10.232 1.00 71.13 H new ATOM 0 HZ1 LYS A 31 -11.984 -1.876 -8.791 1.00 35.13 H new ATOM 0 HZ2 LYS A 31 -11.593 -2.292 -10.390 1.00 35.13 H new ATOM 0 HZ3 LYS A 31 -10.440 -1.528 -9.405 1.00 35.13 H new ATOM 528 N LEU A 32 -11.376 3.297 -12.369 1.00 22.05 N ATOM 529 CA LEU A 32 -12.786 3.705 -12.494 1.00 0.43 C ATOM 530 C LEU A 32 -12.930 4.779 -13.588 1.00 74.40 C ATOM 531 O LEU A 32 -13.617 4.579 -14.592 1.00 24.20 O ATOM 532 CB LEU A 32 -13.277 4.251 -11.119 1.00 33.04 C ATOM 533 CG LEU A 32 -14.805 4.542 -10.986 1.00 43.41 C ATOM 534 CD1 LEU A 32 -15.627 3.239 -11.009 1.00 25.41 C ATOM 535 CD2 LEU A 32 -15.114 5.385 -9.726 1.00 34.42 C ATOM 0 H LEU A 32 -10.994 3.445 -11.435 1.00 22.05 H new ATOM 0 HA LEU A 32 -13.396 2.848 -12.779 1.00 0.43 H new ATOM 0 HB2 LEU A 32 -12.999 3.532 -10.348 1.00 33.04 H new ATOM 0 HB3 LEU A 32 -12.735 5.172 -10.906 1.00 33.04 H new ATOM 0 HG LEU A 32 -15.103 5.133 -11.852 1.00 43.41 H new ATOM 0 HD11 LEU A 32 -16.687 3.476 -10.914 1.00 25.41 H new ATOM 0 HD12 LEU A 32 -15.454 2.716 -11.950 1.00 25.41 H new ATOM 0 HD13 LEU A 32 -15.322 2.602 -10.179 1.00 25.41 H new ATOM 0 HD21 LEU A 32 -16.187 5.569 -9.665 1.00 34.42 H new ATOM 0 HD22 LEU A 32 -14.787 4.845 -8.838 1.00 34.42 H new ATOM 0 HD23 LEU A 32 -14.586 6.337 -9.786 1.00 34.42 H new ATOM 547 N GLN A 33 -12.205 5.891 -13.391 1.00 35.41 N ATOM 548 CA GLN A 33 -12.243 7.042 -14.298 1.00 35.04 C ATOM 549 C GLN A 33 -11.564 6.721 -15.638 1.00 73.55 C ATOM 550 O GLN A 33 -11.989 7.218 -16.691 1.00 54.51 O ATOM 551 CB GLN A 33 -11.617 8.281 -13.596 1.00 52.05 C ATOM 552 CG GLN A 33 -10.156 8.136 -13.099 1.00 12.01 C ATOM 553 CD GLN A 33 -9.099 8.330 -14.190 1.00 71.13 C ATOM 554 OE1 GLN A 33 -7.935 7.777 -13.987 1.00 12.45 O flip ATOM 555 NE2 GLN A 33 -9.325 9.000 -15.187 1.00 33.10 N flip ATOM 0 H GLN A 33 -11.577 6.015 -12.597 1.00 35.41 H new ATOM 0 HA GLN A 33 -13.281 7.278 -14.534 1.00 35.04 H new ATOM 0 HB2 GLN A 33 -11.659 9.122 -14.289 1.00 52.05 H new ATOM 0 HB3 GLN A 33 -12.243 8.540 -12.742 1.00 52.05 H new ATOM 0 HG2 GLN A 33 -9.980 8.862 -12.306 1.00 12.01 H new ATOM 0 HG3 GLN A 33 -10.030 7.147 -12.659 1.00 12.01 H new ATOM 0 HE21 GLN A 33 -10.244 9.421 -15.321 1.00 33.10 H new ATOM 0 HE22 GLN A 33 -8.594 9.138 -15.885 1.00 33.10 H new ATOM 564 N LEU A 34 -10.506 5.878 -15.586 1.00 45.30 N ATOM 565 CA LEU A 34 -9.734 5.487 -16.772 1.00 54.22 C ATOM 566 C LEU A 34 -10.665 4.966 -17.856 1.00 44.33 C ATOM 567 O LEU A 34 -10.702 5.570 -18.939 1.00 41.40 O ATOM 568 CB LEU A 34 -8.644 4.434 -16.400 1.00 62.14 C ATOM 569 CG LEU A 34 -7.694 3.888 -17.533 1.00 2.12 C ATOM 570 CD1 LEU A 34 -8.213 2.580 -18.170 1.00 32.20 C ATOM 571 CD2 LEU A 34 -7.388 4.967 -18.600 1.00 25.33 C ATOM 0 H LEU A 34 -10.171 5.455 -14.720 1.00 45.30 H new ATOM 0 HA LEU A 34 -9.220 6.365 -17.162 1.00 54.22 H new ATOM 0 HB2 LEU A 34 -8.015 4.871 -15.625 1.00 62.14 H new ATOM 0 HB3 LEU A 34 -9.151 3.578 -15.954 1.00 62.14 H new ATOM 0 HG LEU A 34 -6.751 3.638 -17.046 1.00 2.12 H new ATOM 0 HD11 LEU A 34 -7.519 2.251 -18.943 1.00 32.20 H new ATOM 0 HD12 LEU A 34 -8.294 1.809 -17.404 1.00 32.20 H new ATOM 0 HD13 LEU A 34 -9.193 2.755 -18.613 1.00 32.20 H new ATOM 0 HD21 LEU A 34 -6.730 4.549 -19.362 1.00 25.33 H new ATOM 0 HD22 LEU A 34 -8.319 5.294 -19.064 1.00 25.33 H new ATOM 0 HD23 LEU A 34 -6.899 5.819 -18.127 1.00 25.33 H new ATOM 774 N PHE B 102 9.123 -16.648 21.279 1.00 23.24 N ATOM 775 CA PHE B 102 9.405 -15.454 20.462 1.00 65.23 C ATOM 776 C PHE B 102 9.767 -15.827 19.018 1.00 71.52 C ATOM 777 O PHE B 102 9.680 -14.985 18.112 1.00 12.35 O ATOM 778 CB PHE B 102 10.560 -14.667 21.092 1.00 10.34 C ATOM 779 CG PHE B 102 10.319 -14.231 22.536 1.00 22.32 C ATOM 780 CD1 PHE B 102 9.488 -13.149 22.822 1.00 13.03 C ATOM 781 CD2 PHE B 102 10.953 -14.873 23.602 1.00 61.15 C ATOM 782 CE1 PHE B 102 9.296 -12.729 24.118 1.00 54.33 C ATOM 783 CE2 PHE B 102 10.757 -14.454 24.901 1.00 34.35 C ATOM 784 CZ PHE B 102 9.928 -13.380 25.159 1.00 62.14 C ATOM 0 HA PHE B 102 8.502 -14.843 20.434 1.00 65.23 H new ATOM 0 HB2 PHE B 102 11.461 -15.279 21.057 1.00 10.34 H new ATOM 0 HB3 PHE B 102 10.752 -13.781 20.486 1.00 10.34 H new ATOM 0 HD1 PHE B 102 8.988 -12.633 22.015 1.00 13.03 H new ATOM 0 HD2 PHE B 102 11.607 -15.710 23.406 1.00 61.15 H new ATOM 0 HE1 PHE B 102 8.649 -11.888 24.322 1.00 54.33 H new ATOM 0 HE2 PHE B 102 11.251 -14.964 25.715 1.00 34.35 H new ATOM 0 HZ PHE B 102 9.774 -13.049 26.175 1.00 62.14 H new ATOM 794 N LYS B 103 10.182 -17.092 18.811 1.00 60.14 N ATOM 795 CA LYS B 103 10.502 -17.616 17.469 1.00 74.00 C ATOM 796 C LYS B 103 9.271 -17.461 16.542 1.00 73.14 C ATOM 797 O LYS B 103 9.390 -17.078 15.371 1.00 2.31 O ATOM 798 CB LYS B 103 10.983 -19.105 17.528 1.00 11.40 C ATOM 799 CG LYS B 103 9.889 -20.198 17.748 1.00 5.11 C ATOM 800 CD LYS B 103 9.273 -20.238 19.178 1.00 5.22 C ATOM 801 CE LYS B 103 10.058 -21.123 20.168 1.00 20.33 C ATOM 802 NZ LYS B 103 11.471 -20.690 20.362 1.00 10.24 N ATOM 0 H LYS B 103 10.304 -17.773 19.561 1.00 60.14 H new ATOM 0 HA LYS B 103 11.328 -17.034 17.060 1.00 74.00 H new ATOM 0 HB2 LYS B 103 11.503 -19.330 16.597 1.00 11.40 H new ATOM 0 HB3 LYS B 103 11.715 -19.192 18.331 1.00 11.40 H new ATOM 0 HG2 LYS B 103 9.087 -20.037 17.028 1.00 5.11 H new ATOM 0 HG3 LYS B 103 10.323 -21.174 17.529 1.00 5.11 H new ATOM 0 HD2 LYS B 103 9.225 -19.223 19.572 1.00 5.22 H new ATOM 0 HD3 LYS B 103 8.248 -20.603 19.112 1.00 5.22 H new ATOM 0 HE2 LYS B 103 9.549 -21.116 21.132 1.00 20.33 H new ATOM 0 HE3 LYS B 103 10.048 -22.152 19.810 1.00 20.33 H new ATOM 0 HZ1 LYS B 103 11.862 -21.151 21.208 1.00 10.24 H new ATOM 0 HZ2 LYS B 103 12.034 -20.958 19.529 1.00 10.24 H new ATOM 0 HZ3 LYS B 103 11.504 -19.658 20.484 1.00 10.24 H new ATOM 816 N LYS B 104 8.078 -17.695 17.134 1.00 62.55 N ATOM 817 CA LYS B 104 6.811 -17.639 16.418 1.00 20.45 C ATOM 818 C LYS B 104 6.397 -16.187 16.171 1.00 2.04 C ATOM 819 O LYS B 104 5.774 -15.931 15.159 1.00 4.21 O ATOM 820 CB LYS B 104 5.712 -18.442 17.170 1.00 14.42 C ATOM 821 CG LYS B 104 5.316 -17.920 18.585 1.00 2.41 C ATOM 822 CD LYS B 104 4.099 -16.953 18.593 1.00 52.41 C ATOM 823 CE LYS B 104 2.807 -17.607 18.065 1.00 2.01 C ATOM 824 NZ LYS B 104 1.647 -16.675 18.121 1.00 53.13 N ATOM 0 H LYS B 104 7.981 -17.927 18.123 1.00 62.55 H new ATOM 0 HA LYS B 104 6.940 -18.111 15.444 1.00 20.45 H new ATOM 0 HB2 LYS B 104 4.816 -18.458 16.549 1.00 14.42 H new ATOM 0 HB3 LYS B 104 6.050 -19.473 17.269 1.00 14.42 H new ATOM 0 HG2 LYS B 104 5.091 -18.774 19.224 1.00 2.41 H new ATOM 0 HG3 LYS B 104 6.173 -17.410 19.024 1.00 2.41 H new ATOM 0 HD2 LYS B 104 3.931 -16.598 19.610 1.00 52.41 H new ATOM 0 HD3 LYS B 104 4.332 -16.079 17.985 1.00 52.41 H new ATOM 0 HE2 LYS B 104 2.960 -17.934 17.036 1.00 2.01 H new ATOM 0 HE3 LYS B 104 2.585 -18.498 18.653 1.00 2.01 H new ATOM 0 HZ1 LYS B 104 0.799 -17.154 17.757 1.00 53.13 H new ATOM 0 HZ2 LYS B 104 1.484 -16.383 19.106 1.00 53.13 H new ATOM 0 HZ3 LYS B 104 1.847 -15.836 17.540 1.00 53.13 H new ATOM 838 N LEU B 105 6.762 -15.234 17.088 1.00 52.01 N ATOM 839 CA LEU B 105 6.442 -13.795 16.890 1.00 11.21 C ATOM 840 C LEU B 105 7.094 -13.340 15.583 1.00 14.33 C ATOM 841 O LEU B 105 6.460 -12.643 14.770 1.00 54.24 O ATOM 842 CB LEU B 105 6.854 -12.879 18.131 1.00 63.01 C ATOM 843 CG LEU B 105 8.282 -12.153 18.162 1.00 43.30 C ATOM 844 CD1 LEU B 105 8.396 -10.934 17.214 1.00 4.33 C ATOM 845 CD2 LEU B 105 8.664 -11.716 19.586 1.00 43.34 C ATOM 0 H LEU B 105 7.267 -15.438 17.951 1.00 52.01 H new ATOM 0 HA LEU B 105 5.360 -13.679 16.823 1.00 11.21 H new ATOM 0 HB2 LEU B 105 6.095 -12.102 18.224 1.00 63.01 H new ATOM 0 HB3 LEU B 105 6.788 -13.499 19.025 1.00 63.01 H new ATOM 0 HG LEU B 105 8.979 -12.910 17.802 1.00 43.30 H new ATOM 0 HD11 LEU B 105 9.393 -10.501 17.296 1.00 4.33 H new ATOM 0 HD12 LEU B 105 8.223 -11.255 16.187 1.00 4.33 H new ATOM 0 HD13 LEU B 105 7.652 -10.187 17.491 1.00 4.33 H new ATOM 0 HD21 LEU B 105 9.638 -11.228 19.568 1.00 43.34 H new ATOM 0 HD22 LEU B 105 7.916 -11.020 19.966 1.00 43.34 H new ATOM 0 HD23 LEU B 105 8.709 -12.590 20.235 1.00 43.34 H new ATOM 857 N TYR B 106 8.378 -13.777 15.396 1.00 43.32 N ATOM 858 CA TYR B 106 9.148 -13.480 14.193 1.00 32.22 C ATOM 859 C TYR B 106 8.389 -13.992 12.974 1.00 24.21 C ATOM 860 O TYR B 106 8.074 -13.217 12.090 1.00 31.45 O ATOM 861 CB TYR B 106 10.585 -14.079 14.236 1.00 42.13 C ATOM 862 CG TYR B 106 11.505 -13.504 13.137 1.00 12.50 C ATOM 863 CD1 TYR B 106 11.829 -12.153 13.147 1.00 4.32 C ATOM 864 CD2 TYR B 106 12.023 -14.277 12.093 1.00 34.22 C ATOM 865 CE1 TYR B 106 12.621 -11.573 12.186 1.00 60.22 C ATOM 866 CE2 TYR B 106 12.831 -13.704 11.117 1.00 42.24 C ATOM 867 CZ TYR B 106 13.126 -12.350 11.172 1.00 71.34 C ATOM 868 OH TYR B 106 13.927 -11.770 10.206 1.00 35.14 O ATOM 0 H TYR B 106 8.884 -14.338 16.081 1.00 43.32 H new ATOM 0 HA TYR B 106 9.269 -12.398 14.131 1.00 32.22 H new ATOM 0 HB2 TYR B 106 11.027 -13.883 15.213 1.00 42.13 H new ATOM 0 HB3 TYR B 106 10.526 -15.162 14.125 1.00 42.13 H new ATOM 0 HD1 TYR B 106 11.442 -11.534 13.943 1.00 4.32 H new ATOM 0 HD2 TYR B 106 11.793 -15.331 12.044 1.00 34.22 H new ATOM 0 HE1 TYR B 106 12.844 -10.517 12.227 1.00 60.22 H new ATOM 0 HE2 TYR B 106 13.228 -14.312 10.318 1.00 42.24 H new ATOM 0 HH TYR B 106 14.205 -12.452 9.559 1.00 35.14 H new ATOM 878 N GLU B 107 8.017 -15.273 13.021 1.00 20.42 N ATOM 879 CA GLU B 107 7.385 -15.967 11.899 1.00 11.13 C ATOM 880 C GLU B 107 6.015 -15.378 11.511 1.00 62.31 C ATOM 881 O GLU B 107 5.733 -15.253 10.321 1.00 52.31 O ATOM 882 CB GLU B 107 7.260 -17.465 12.244 1.00 33.51 C ATOM 883 CG GLU B 107 8.612 -18.192 12.429 1.00 12.02 C ATOM 884 CD GLU B 107 9.598 -17.975 11.263 1.00 22.22 C ATOM 885 OE1 GLU B 107 9.316 -18.439 10.138 1.00 3.33 O ATOM 886 OE2 GLU B 107 10.653 -17.329 11.451 1.00 21.25 O ATOM 0 H GLU B 107 8.147 -15.861 13.844 1.00 20.42 H new ATOM 0 HA GLU B 107 8.022 -15.831 11.025 1.00 11.13 H new ATOM 0 HB2 GLU B 107 6.678 -17.567 13.160 1.00 33.51 H new ATOM 0 HB3 GLU B 107 6.699 -17.962 11.453 1.00 33.51 H new ATOM 0 HG2 GLU B 107 9.076 -17.848 13.354 1.00 12.02 H new ATOM 0 HG3 GLU B 107 8.427 -19.260 12.543 1.00 12.02 H new ATOM 893 N GLN B 108 5.188 -15.004 12.510 1.00 21.55 N ATOM 894 CA GLN B 108 3.812 -14.507 12.258 1.00 35.14 C ATOM 895 C GLN B 108 3.852 -13.162 11.530 1.00 20.54 C ATOM 896 O GLN B 108 3.297 -13.032 10.430 1.00 71.13 O ATOM 897 CB GLN B 108 2.959 -14.371 13.560 1.00 11.41 C ATOM 898 CG GLN B 108 2.820 -15.653 14.416 1.00 74.32 C ATOM 899 CD GLN B 108 2.670 -16.942 13.605 1.00 64.20 C ATOM 900 OE1 GLN B 108 1.562 -17.368 13.274 1.00 4.13 O ATOM 901 NE2 GLN B 108 3.799 -17.577 13.288 1.00 15.01 N ATOM 0 H GLN B 108 5.445 -15.035 13.497 1.00 21.55 H new ATOM 0 HA GLN B 108 3.329 -15.257 11.632 1.00 35.14 H new ATOM 0 HB2 GLN B 108 3.400 -13.590 14.180 1.00 11.41 H new ATOM 0 HB3 GLN B 108 1.961 -14.033 13.283 1.00 11.41 H new ATOM 0 HG2 GLN B 108 3.696 -15.743 15.059 1.00 74.32 H new ATOM 0 HG3 GLN B 108 1.954 -15.547 15.070 1.00 74.32 H new ATOM 0 HE21 GLN B 108 4.698 -17.194 13.579 1.00 15.01 H new ATOM 0 HE22 GLN B 108 3.763 -18.445 12.754 1.00 15.01 H new ATOM 910 N ILE B 109 4.546 -12.176 12.141 1.00 43.21 N ATOM 911 CA ILE B 109 4.587 -10.804 11.612 1.00 62.30 C ATOM 912 C ILE B 109 5.358 -10.760 10.273 1.00 21.34 C ATOM 913 O ILE B 109 4.981 -10.024 9.369 1.00 62.44 O ATOM 914 CB ILE B 109 5.233 -9.773 12.614 1.00 41.21 C ATOM 915 CG1 ILE B 109 4.675 -9.926 14.061 1.00 21.30 C ATOM 916 CG2 ILE B 109 5.007 -8.322 12.112 1.00 32.30 C ATOM 917 CD1 ILE B 109 5.332 -9.008 15.080 1.00 45.44 C ATOM 0 H ILE B 109 5.082 -12.309 12.998 1.00 43.21 H new ATOM 0 HA ILE B 109 3.549 -10.509 11.460 1.00 62.30 H new ATOM 0 HB ILE B 109 6.301 -9.987 12.650 1.00 41.21 H new ATOM 0 HG12 ILE B 109 3.603 -9.729 14.048 1.00 21.30 H new ATOM 0 HG13 ILE B 109 4.805 -10.960 14.382 1.00 21.30 H new ATOM 0 HG21 ILE B 109 5.458 -7.620 12.813 1.00 32.30 H new ATOM 0 HG22 ILE B 109 5.466 -8.201 11.131 1.00 32.30 H new ATOM 0 HG23 ILE B 109 3.937 -8.125 12.039 1.00 32.30 H new ATOM 0 HD11 ILE B 109 4.888 -9.176 16.061 1.00 45.44 H new ATOM 0 HD12 ILE B 109 6.400 -9.219 15.124 1.00 45.44 H new ATOM 0 HD13 ILE B 109 5.179 -7.970 14.786 1.00 45.44 H new ATOM 929 N LEU B 110 6.438 -11.568 10.175 1.00 15.34 N ATOM 930 CA LEU B 110 7.312 -11.630 8.972 1.00 34.01 C ATOM 931 C LEU B 110 6.577 -12.317 7.799 1.00 23.12 C ATOM 932 O LEU B 110 6.774 -11.928 6.651 1.00 13.34 O ATOM 933 CB LEU B 110 8.666 -12.346 9.311 1.00 2.22 C ATOM 934 CG LEU B 110 9.936 -12.044 8.426 1.00 11.22 C ATOM 935 CD1 LEU B 110 9.842 -12.620 6.998 1.00 21.45 C ATOM 936 CD2 LEU B 110 10.255 -10.530 8.408 1.00 61.45 C ATOM 0 H LEU B 110 6.731 -12.196 10.924 1.00 15.34 H new ATOM 0 HA LEU B 110 7.548 -10.613 8.658 1.00 34.01 H new ATOM 0 HB2 LEU B 110 8.918 -12.100 10.343 1.00 2.22 H new ATOM 0 HB3 LEU B 110 8.488 -13.421 9.274 1.00 2.22 H new ATOM 0 HG LEU B 110 10.768 -12.565 8.900 1.00 11.22 H new ATOM 0 HD11 LEU B 110 10.749 -12.374 6.446 1.00 21.45 H new ATOM 0 HD12 LEU B 110 9.730 -13.703 7.049 1.00 21.45 H new ATOM 0 HD13 LEU B 110 8.980 -12.190 6.488 1.00 21.45 H new ATOM 0 HD21 LEU B 110 11.135 -10.351 7.790 1.00 61.45 H new ATOM 0 HD22 LEU B 110 9.406 -9.984 7.997 1.00 61.45 H new ATOM 0 HD23 LEU B 110 10.449 -10.187 9.424 1.00 61.45 H new ATOM 948 N ALA B 111 5.726 -13.322 8.092 1.00 43.13 N ATOM 949 CA ALA B 111 4.926 -14.012 7.052 1.00 15.35 C ATOM 950 C ALA B 111 3.891 -13.052 6.445 1.00 54.23 C ATOM 951 O ALA B 111 3.691 -13.031 5.221 1.00 10.44 O ATOM 952 CB ALA B 111 4.241 -15.263 7.623 1.00 13.32 C ATOM 0 H ALA B 111 5.573 -13.675 9.037 1.00 43.13 H new ATOM 0 HA ALA B 111 5.603 -14.334 6.260 1.00 15.35 H new ATOM 0 HB1 ALA B 111 3.661 -15.750 6.839 1.00 13.32 H new ATOM 0 HB2 ALA B 111 4.997 -15.953 7.997 1.00 13.32 H new ATOM 0 HB3 ALA B 111 3.578 -14.975 8.439 1.00 13.32 H new ATOM 958 N GLU B 112 3.260 -12.240 7.318 1.00 15.21 N ATOM 959 CA GLU B 112 2.332 -11.185 6.896 1.00 64.04 C ATOM 960 C GLU B 112 3.101 -10.120 6.082 1.00 33.44 C ATOM 961 O GLU B 112 2.665 -9.720 5.011 1.00 10.10 O ATOM 962 CB GLU B 112 1.665 -10.521 8.126 1.00 42.32 C ATOM 963 CG GLU B 112 0.527 -9.529 7.775 1.00 64.13 C ATOM 964 CD GLU B 112 -0.796 -10.220 7.392 1.00 2.32 C ATOM 965 OE1 GLU B 112 -0.997 -10.533 6.206 1.00 34.52 O ATOM 966 OE2 GLU B 112 -1.646 -10.447 8.282 1.00 11.50 O ATOM 0 H GLU B 112 3.382 -12.301 8.329 1.00 15.21 H new ATOM 0 HA GLU B 112 1.552 -11.629 6.277 1.00 64.04 H new ATOM 0 HB2 GLU B 112 1.264 -11.301 8.773 1.00 42.32 H new ATOM 0 HB3 GLU B 112 2.428 -9.993 8.698 1.00 42.32 H new ATOM 0 HG2 GLU B 112 0.351 -8.874 8.628 1.00 64.13 H new ATOM 0 HG3 GLU B 112 0.850 -8.896 6.948 1.00 64.13 H new ATOM 973 N ASN B 113 4.279 -9.728 6.617 1.00 11.24 N ATOM 974 CA ASN B 113 5.184 -8.704 6.035 1.00 72.40 C ATOM 975 C ASN B 113 5.602 -9.100 4.604 1.00 4.32 C ATOM 976 O ASN B 113 5.571 -8.266 3.697 1.00 41.41 O ATOM 977 CB ASN B 113 6.428 -8.544 6.959 1.00 34.03 C ATOM 978 CG ASN B 113 7.396 -7.421 6.558 1.00 3.11 C ATOM 979 OD1 ASN B 113 8.297 -7.619 5.751 1.00 65.53 O ATOM 980 ND2 ASN B 113 7.242 -6.242 7.145 1.00 41.43 N ATOM 0 H ASN B 113 4.638 -10.123 7.486 1.00 11.24 H new ATOM 0 HA ASN B 113 4.663 -7.749 5.970 1.00 72.40 H new ATOM 0 HB2 ASN B 113 6.084 -8.360 7.977 1.00 34.03 H new ATOM 0 HB3 ASN B 113 6.975 -9.487 6.973 1.00 34.03 H new ATOM 0 HD21 ASN B 113 7.881 -5.477 6.928 1.00 41.43 H new ATOM 0 HD22 ASN B 113 6.485 -6.100 7.814 1.00 41.43 H new ATOM 987 N GLU B 114 5.933 -10.402 4.427 1.00 4.12 N ATOM 988 CA GLU B 114 6.295 -11.007 3.130 1.00 51.45 C ATOM 989 C GLU B 114 5.158 -10.822 2.120 1.00 20.31 C ATOM 990 O GLU B 114 5.379 -10.322 1.004 1.00 25.10 O ATOM 991 CB GLU B 114 6.647 -12.523 3.309 1.00 41.33 C ATOM 992 CG GLU B 114 6.357 -13.403 2.067 1.00 1.44 C ATOM 993 CD GLU B 114 6.998 -14.796 2.123 1.00 60.14 C ATOM 994 OE1 GLU B 114 8.134 -14.963 1.625 1.00 45.43 O ATOM 995 OE2 GLU B 114 6.367 -15.733 2.658 1.00 31.12 O ATOM 0 H GLU B 114 5.955 -11.070 5.198 1.00 4.12 H new ATOM 0 HA GLU B 114 7.179 -10.500 2.743 1.00 51.45 H new ATOM 0 HB2 GLU B 114 7.704 -12.610 3.561 1.00 41.33 H new ATOM 0 HB3 GLU B 114 6.084 -12.916 4.156 1.00 41.33 H new ATOM 0 HG2 GLU B 114 5.278 -13.515 1.958 1.00 1.44 H new ATOM 0 HG3 GLU B 114 6.715 -12.886 1.177 1.00 1.44 H new ATOM 1002 N LYS B 115 3.943 -11.225 2.553 1.00 4.21 N ATOM 1003 CA LYS B 115 2.720 -11.083 1.761 1.00 75.10 C ATOM 1004 C LYS B 115 2.524 -9.618 1.341 1.00 60.34 C ATOM 1005 O LYS B 115 2.142 -9.343 0.207 1.00 54.32 O ATOM 1006 CB LYS B 115 1.476 -11.535 2.570 1.00 50.02 C ATOM 1007 CG LYS B 115 0.139 -11.493 1.767 1.00 13.30 C ATOM 1008 CD LYS B 115 -1.106 -11.189 2.637 1.00 64.41 C ATOM 1009 CE LYS B 115 -1.172 -9.710 3.060 1.00 1.13 C ATOM 1010 NZ LYS B 115 -2.365 -9.426 3.907 1.00 41.21 N ATOM 0 H LYS B 115 3.792 -11.658 3.464 1.00 4.21 H new ATOM 0 HA LYS B 115 2.825 -11.715 0.879 1.00 75.10 H new ATOM 0 HB2 LYS B 115 1.640 -12.551 2.928 1.00 50.02 H new ATOM 0 HB3 LYS B 115 1.378 -10.899 3.450 1.00 50.02 H new ATOM 0 HG2 LYS B 115 0.219 -10.736 0.987 1.00 13.30 H new ATOM 0 HG3 LYS B 115 -0.004 -12.451 1.268 1.00 13.30 H new ATOM 0 HD2 LYS B 115 -2.007 -11.447 2.081 1.00 64.41 H new ATOM 0 HD3 LYS B 115 -1.089 -11.819 3.526 1.00 64.41 H new ATOM 0 HE2 LYS B 115 -0.267 -9.449 3.609 1.00 1.13 H new ATOM 0 HE3 LYS B 115 -1.199 -9.079 2.171 1.00 1.13 H new ATOM 0 HZ1 LYS B 115 -2.557 -8.404 3.905 1.00 41.21 H new ATOM 0 HZ2 LYS B 115 -3.189 -9.934 3.527 1.00 41.21 H new ATOM 0 HZ3 LYS B 115 -2.182 -9.742 4.881 1.00 41.21 H new ATOM 1024 N LEU B 116 2.829 -8.700 2.279 1.00 21.33 N ATOM 1025 CA LEU B 116 2.646 -7.257 2.093 1.00 63.22 C ATOM 1026 C LEU B 116 3.578 -6.692 1.001 1.00 61.20 C ATOM 1027 O LEU B 116 3.177 -5.789 0.270 1.00 23.14 O ATOM 1028 CB LEU B 116 2.810 -6.508 3.436 1.00 2.31 C ATOM 1029 CG LEU B 116 1.727 -6.817 4.522 1.00 54.21 C ATOM 1030 CD1 LEU B 116 2.101 -6.210 5.884 1.00 41.32 C ATOM 1031 CD2 LEU B 116 0.332 -6.355 4.067 1.00 35.05 C ATOM 0 H LEU B 116 3.212 -8.946 3.192 1.00 21.33 H new ATOM 0 HA LEU B 116 1.627 -7.094 1.742 1.00 63.22 H new ATOM 0 HB2 LEU B 116 3.790 -6.749 3.848 1.00 2.31 H new ATOM 0 HB3 LEU B 116 2.803 -5.436 3.237 1.00 2.31 H new ATOM 0 HG LEU B 116 1.692 -7.899 4.648 1.00 54.21 H new ATOM 0 HD11 LEU B 116 1.325 -6.445 6.613 1.00 41.32 H new ATOM 0 HD12 LEU B 116 3.051 -6.625 6.219 1.00 41.32 H new ATOM 0 HD13 LEU B 116 2.192 -5.128 5.788 1.00 41.32 H new ATOM 0 HD21 LEU B 116 -0.398 -6.584 4.843 1.00 35.05 H new ATOM 0 HD22 LEU B 116 0.345 -5.280 3.887 1.00 35.05 H new ATOM 0 HD23 LEU B 116 0.059 -6.873 3.148 1.00 35.05 H new ATOM 1043 N LYS B 117 4.798 -7.247 0.857 1.00 30.32 N ATOM 1044 CA LYS B 117 5.698 -6.868 -0.265 1.00 24.53 C ATOM 1045 C LYS B 117 5.148 -7.389 -1.600 1.00 51.13 C ATOM 1046 O LYS B 117 5.201 -6.685 -2.611 1.00 71.25 O ATOM 1047 CB LYS B 117 7.171 -7.341 -0.077 1.00 51.21 C ATOM 1048 CG LYS B 117 8.053 -6.415 0.816 1.00 42.34 C ATOM 1049 CD LYS B 117 8.004 -6.764 2.310 1.00 55.34 C ATOM 1050 CE LYS B 117 8.601 -8.155 2.604 1.00 21.15 C ATOM 1051 NZ LYS B 117 10.001 -8.283 2.123 1.00 32.44 N ATOM 0 H LYS B 117 5.184 -7.948 1.489 1.00 30.32 H new ATOM 0 HA LYS B 117 5.720 -5.778 -0.271 1.00 24.53 H new ATOM 0 HB2 LYS B 117 7.163 -8.340 0.359 1.00 51.21 H new ATOM 0 HB3 LYS B 117 7.638 -7.425 -1.058 1.00 51.21 H new ATOM 0 HG2 LYS B 117 9.086 -6.472 0.473 1.00 42.34 H new ATOM 0 HG3 LYS B 117 7.730 -5.383 0.683 1.00 42.34 H new ATOM 0 HD2 LYS B 117 8.550 -6.009 2.876 1.00 55.34 H new ATOM 0 HD3 LYS B 117 6.970 -6.734 2.654 1.00 55.34 H new ATOM 0 HE2 LYS B 117 8.570 -8.341 3.678 1.00 21.15 H new ATOM 0 HE3 LYS B 117 7.985 -8.919 2.130 1.00 21.15 H new ATOM 0 HZ1 LYS B 117 10.426 -9.147 2.516 1.00 32.44 H new ATOM 0 HZ2 LYS B 117 10.008 -8.336 1.084 1.00 32.44 H new ATOM 0 HZ3 LYS B 117 10.551 -7.456 2.431 1.00 32.44 H new ATOM 1065 N ALA B 118 4.604 -8.615 -1.578 1.00 52.12 N ATOM 1066 CA ALA B 118 4.101 -9.297 -2.784 1.00 73.22 C ATOM 1067 C ALA B 118 2.868 -8.566 -3.356 1.00 34.52 C ATOM 1068 O ALA B 118 2.790 -8.293 -4.563 1.00 63.42 O ATOM 1069 CB ALA B 118 3.765 -10.755 -2.428 1.00 22.44 C ATOM 0 H ALA B 118 4.500 -9.163 -0.724 1.00 52.12 H new ATOM 0 HA ALA B 118 4.870 -9.284 -3.556 1.00 73.22 H new ATOM 0 HB1 ALA B 118 3.392 -11.269 -3.314 1.00 22.44 H new ATOM 0 HB2 ALA B 118 4.663 -11.258 -2.068 1.00 22.44 H new ATOM 0 HB3 ALA B 118 3.002 -10.773 -1.650 1.00 22.44 H new ATOM 1075 N GLN B 119 1.936 -8.218 -2.451 1.00 52.11 N ATOM 1076 CA GLN B 119 0.660 -7.589 -2.806 1.00 4.10 C ATOM 1077 C GLN B 119 0.869 -6.145 -3.268 1.00 41.25 C ATOM 1078 O GLN B 119 0.201 -5.703 -4.204 1.00 42.11 O ATOM 1079 CB GLN B 119 -0.343 -7.675 -1.608 1.00 73.21 C ATOM 1080 CG GLN B 119 0.101 -6.962 -0.305 1.00 62.44 C ATOM 1081 CD GLN B 119 -0.227 -5.465 -0.228 1.00 75.32 C ATOM 1082 OE1 GLN B 119 -1.208 -4.986 -0.794 1.00 12.00 O ATOM 1083 NE2 GLN B 119 0.625 -4.711 0.446 1.00 32.51 N ATOM 0 H GLN B 119 2.051 -8.368 -1.449 1.00 52.11 H new ATOM 0 HA GLN B 119 0.226 -8.135 -3.644 1.00 4.10 H new ATOM 0 HB2 GLN B 119 -1.296 -7.251 -1.925 1.00 73.21 H new ATOM 0 HB3 GLN B 119 -0.521 -8.726 -1.382 1.00 73.21 H new ATOM 0 HG2 GLN B 119 -0.369 -7.463 0.541 1.00 62.44 H new ATOM 0 HG3 GLN B 119 1.178 -7.087 -0.192 1.00 62.44 H new ATOM 0 HE21 GLN B 119 1.430 -5.137 0.905 1.00 32.51 H new ATOM 0 HE22 GLN B 119 0.477 -3.704 0.507 1.00 32.51 H new ATOM 1092 N LEU B 120 1.787 -5.404 -2.591 1.00 44.12 N ATOM 1093 CA LEU B 120 2.058 -3.998 -2.935 1.00 5.13 C ATOM 1094 C LEU B 120 2.742 -3.943 -4.298 1.00 31.24 C ATOM 1095 O LEU B 120 2.439 -3.067 -5.087 1.00 65.32 O ATOM 1096 CB LEU B 120 2.887 -3.262 -1.818 1.00 73.22 C ATOM 1097 CG LEU B 120 4.471 -3.363 -1.831 1.00 51.43 C ATOM 1098 CD1 LEU B 120 5.133 -2.281 -2.724 1.00 62.11 C ATOM 1099 CD2 LEU B 120 5.059 -3.304 -0.409 1.00 43.30 C ATOM 0 H LEU B 120 2.342 -5.760 -1.813 1.00 44.12 H new ATOM 0 HA LEU B 120 1.113 -3.459 -2.995 1.00 5.13 H new ATOM 0 HB2 LEU B 120 2.626 -2.205 -1.860 1.00 73.22 H new ATOM 0 HB3 LEU B 120 2.543 -3.637 -0.854 1.00 73.22 H new ATOM 0 HG LEU B 120 4.702 -4.336 -2.264 1.00 51.43 H new ATOM 0 HD11 LEU B 120 6.216 -2.398 -2.695 1.00 62.11 H new ATOM 0 HD12 LEU B 120 4.783 -2.393 -3.750 1.00 62.11 H new ATOM 0 HD13 LEU B 120 4.865 -1.291 -2.355 1.00 62.11 H new ATOM 0 HD21 LEU B 120 6.145 -3.376 -0.461 1.00 43.30 H new ATOM 0 HD22 LEU B 120 4.780 -2.361 0.061 1.00 43.30 H new ATOM 0 HD23 LEU B 120 4.668 -4.133 0.181 1.00 43.30 H new ATOM 1111 N HIS B 121 3.654 -4.917 -4.556 1.00 61.41 N ATOM 1112 CA HIS B 121 4.381 -5.038 -5.835 1.00 71.44 C ATOM 1113 C HIS B 121 3.378 -5.145 -6.986 1.00 3.42 C ATOM 1114 O HIS B 121 3.482 -4.418 -7.967 1.00 31.33 O ATOM 1115 CB HIS B 121 5.325 -6.273 -5.802 1.00 43.20 C ATOM 1116 CG HIS B 121 6.265 -6.387 -6.980 1.00 63.20 C ATOM 1117 ND1 HIS B 121 7.604 -6.072 -6.907 1.00 44.34 N ATOM 1118 CD2 HIS B 121 6.061 -6.799 -8.255 1.00 23.55 C ATOM 1119 CE1 HIS B 121 8.170 -6.289 -8.076 1.00 74.50 C ATOM 1120 NE2 HIS B 121 7.255 -6.726 -8.909 1.00 62.24 N ATOM 0 H HIS B 121 3.902 -5.638 -3.878 1.00 61.41 H new ATOM 0 HA HIS B 121 4.995 -4.150 -5.989 1.00 71.44 H new ATOM 0 HB2 HIS B 121 5.916 -6.236 -4.887 1.00 43.20 H new ATOM 0 HB3 HIS B 121 4.717 -7.176 -5.753 1.00 43.20 H new ATOM 0 HD2 HIS B 121 5.122 -7.126 -8.677 1.00 23.55 H new ATOM 0 HE1 HIS B 121 9.213 -6.133 -8.310 1.00 74.50 H new ATOM 0 HE2 HIS B 121 7.412 -6.971 -9.887 1.00 62.24 H new ATOM 1129 N ASP B 122 2.386 -6.040 -6.800 1.00 43.01 N ATOM 1130 CA ASP B 122 1.286 -6.242 -7.751 1.00 72.35 C ATOM 1131 C ASP B 122 0.509 -4.932 -7.962 1.00 23.21 C ATOM 1132 O ASP B 122 0.391 -4.470 -9.088 1.00 73.30 O ATOM 1133 CB ASP B 122 0.332 -7.363 -7.248 1.00 34.41 C ATOM 1134 CG ASP B 122 -0.925 -7.522 -8.133 1.00 53.31 C ATOM 1135 OD1 ASP B 122 -0.850 -8.204 -9.177 1.00 1.11 O ATOM 1136 OD2 ASP B 122 -1.994 -6.965 -7.782 1.00 52.22 O ATOM 0 H ASP B 122 2.330 -6.644 -5.980 1.00 43.01 H new ATOM 0 HA ASP B 122 1.709 -6.550 -8.707 1.00 72.35 H new ATOM 0 HB2 ASP B 122 0.873 -8.309 -7.220 1.00 34.41 H new ATOM 0 HB3 ASP B 122 0.025 -7.141 -6.226 1.00 34.41 H new ATOM 1141 N THR B 123 0.038 -4.325 -6.849 1.00 70.24 N ATOM 1142 CA THR B 123 -0.820 -3.122 -6.877 1.00 14.13 C ATOM 1143 C THR B 123 -0.072 -1.888 -7.450 1.00 60.41 C ATOM 1144 O THR B 123 -0.694 -0.986 -8.025 1.00 25.31 O ATOM 1145 CB THR B 123 -1.383 -2.800 -5.452 1.00 75.22 C ATOM 1146 OG1 THR B 123 -1.947 -3.991 -4.870 1.00 11.32 O ATOM 1147 CG2 THR B 123 -2.475 -1.713 -5.492 1.00 73.41 C ATOM 0 H THR B 123 0.243 -4.657 -5.907 1.00 70.24 H new ATOM 0 HA THR B 123 -1.655 -3.343 -7.542 1.00 14.13 H new ATOM 0 HB THR B 123 -0.550 -2.432 -4.853 1.00 75.22 H new ATOM 0 HG1 THR B 123 -1.225 -4.589 -4.584 1.00 11.32 H new ATOM 0 HG21 THR B 123 -2.836 -1.523 -4.481 1.00 73.41 H new ATOM 0 HG22 THR B 123 -2.060 -0.795 -5.908 1.00 73.41 H new ATOM 0 HG23 THR B 123 -3.303 -2.052 -6.115 1.00 73.41 H new ATOM 1155 N ASN B 124 1.266 -1.880 -7.309 1.00 14.22 N ATOM 1156 CA ASN B 124 2.125 -0.823 -7.865 1.00 20.25 C ATOM 1157 C ASN B 124 2.212 -0.988 -9.383 1.00 54.11 C ATOM 1158 O ASN B 124 2.076 -0.013 -10.107 1.00 72.42 O ATOM 1159 CB ASN B 124 3.549 -0.841 -7.230 1.00 22.13 C ATOM 1160 CG ASN B 124 3.634 -0.236 -5.811 1.00 21.34 C ATOM 1161 OD1 ASN B 124 2.590 -0.362 -5.004 1.00 41.13 O flip ATOM 1162 ND2 ASN B 124 4.661 0.329 -5.433 1.00 4.14 N flip ATOM 0 H ASN B 124 1.779 -2.605 -6.808 1.00 14.22 H new ATOM 0 HA ASN B 124 1.680 0.143 -7.626 1.00 20.25 H new ATOM 0 HB2 ASN B 124 3.901 -1.872 -7.192 1.00 22.13 H new ATOM 0 HB3 ASN B 124 4.230 -0.295 -7.884 1.00 22.13 H new ATOM 0 HD21 ASN B 124 5.456 0.418 -6.065 1.00 4.14 H new ATOM 0 HD22 ASN B 124 4.716 0.708 -4.487 1.00 4.14 H new ATOM 1169 N MET B 125 2.415 -2.239 -9.848 1.00 13.14 N ATOM 1170 CA MET B 125 2.453 -2.572 -11.287 1.00 40.34 C ATOM 1171 C MET B 125 1.065 -2.414 -11.944 1.00 2.44 C ATOM 1172 O MET B 125 0.978 -2.188 -13.155 1.00 43.52 O ATOM 1173 CB MET B 125 2.998 -4.010 -11.482 1.00 74.31 C ATOM 1174 CG MET B 125 4.410 -4.262 -10.904 1.00 4.32 C ATOM 1175 SD MET B 125 5.783 -3.651 -11.927 1.00 22.11 S ATOM 1176 CE MET B 125 5.830 -1.888 -11.579 1.00 43.41 C ATOM 0 H MET B 125 2.557 -3.044 -9.238 1.00 13.14 H new ATOM 0 HA MET B 125 3.124 -1.870 -11.782 1.00 40.34 H new ATOM 0 HB2 MET B 125 2.303 -4.711 -11.019 1.00 74.31 H new ATOM 0 HB3 MET B 125 3.014 -4.234 -12.549 1.00 74.31 H new ATOM 0 HG2 MET B 125 4.473 -3.793 -9.922 1.00 4.32 H new ATOM 0 HG3 MET B 125 4.538 -5.334 -10.754 1.00 4.32 H new ATOM 0 HE1 MET B 125 6.867 -1.559 -11.505 1.00 43.41 H new ATOM 0 HE2 MET B 125 5.334 -1.345 -12.383 1.00 43.41 H new ATOM 0 HE3 MET B 125 5.318 -1.689 -10.638 1.00 43.41 H new ATOM 1186 N GLU B 126 -0.007 -2.535 -11.129 1.00 23.30 N ATOM 1187 CA GLU B 126 -1.381 -2.207 -11.542 1.00 33.53 C ATOM 1188 C GLU B 126 -1.478 -0.695 -11.784 1.00 13.14 C ATOM 1189 O GLU B 126 -1.955 -0.260 -12.819 1.00 11.13 O ATOM 1190 CB GLU B 126 -2.395 -2.606 -10.437 1.00 34.41 C ATOM 1191 CG GLU B 126 -2.579 -4.111 -10.188 1.00 64.03 C ATOM 1192 CD GLU B 126 -3.443 -4.805 -11.254 1.00 74.44 C ATOM 1193 OE1 GLU B 126 -2.895 -5.415 -12.196 1.00 40.12 O ATOM 1194 OE2 GLU B 126 -4.686 -4.726 -11.157 1.00 45.42 O ATOM 0 H GLU B 126 0.061 -2.864 -10.166 1.00 23.30 H new ATOM 0 HA GLU B 126 -1.618 -2.758 -12.452 1.00 33.53 H new ATOM 0 HB2 GLU B 126 -2.082 -2.141 -9.502 1.00 34.41 H new ATOM 0 HB3 GLU B 126 -3.365 -2.181 -10.695 1.00 34.41 H new ATOM 0 HG2 GLU B 126 -1.600 -4.589 -10.157 1.00 64.03 H new ATOM 0 HG3 GLU B 126 -3.036 -4.257 -9.209 1.00 64.03 H new ATOM 1201 N LEU B 127 -0.982 0.077 -10.797 1.00 32.03 N ATOM 1202 CA LEU B 127 -0.987 1.557 -10.814 1.00 62.21 C ATOM 1203 C LEU B 127 -0.110 2.104 -11.975 1.00 34.32 C ATOM 1204 O LEU B 127 -0.411 3.155 -12.551 1.00 71.00 O ATOM 1205 CB LEU B 127 -0.473 2.086 -9.438 1.00 53.40 C ATOM 1206 CG LEU B 127 -0.552 3.629 -9.211 1.00 52.42 C ATOM 1207 CD1 LEU B 127 -2.016 4.097 -9.084 1.00 14.11 C ATOM 1208 CD2 LEU B 127 0.291 4.066 -7.994 1.00 45.05 C ATOM 0 H LEU B 127 -0.561 -0.313 -9.954 1.00 32.03 H new ATOM 0 HA LEU B 127 -2.005 1.908 -10.980 1.00 62.21 H new ATOM 0 HB2 LEU B 127 -1.043 1.596 -8.649 1.00 53.40 H new ATOM 0 HB3 LEU B 127 0.565 1.777 -9.320 1.00 53.40 H new ATOM 0 HG LEU B 127 -0.125 4.115 -10.089 1.00 52.42 H new ATOM 0 HD11 LEU B 127 -2.041 5.175 -8.927 1.00 14.11 H new ATOM 0 HD12 LEU B 127 -2.557 3.851 -9.998 1.00 14.11 H new ATOM 0 HD13 LEU B 127 -2.486 3.596 -8.238 1.00 14.11 H new ATOM 0 HD21 LEU B 127 0.213 5.146 -7.866 1.00 45.05 H new ATOM 0 HD22 LEU B 127 -0.077 3.567 -7.098 1.00 45.05 H new ATOM 0 HD23 LEU B 127 1.334 3.795 -8.158 1.00 45.05 H new ATOM 1220 N THR B 128 0.964 1.348 -12.312 1.00 44.45 N ATOM 1221 CA THR B 128 1.903 1.683 -13.398 1.00 74.23 C ATOM 1222 C THR B 128 1.234 1.424 -14.765 1.00 20.14 C ATOM 1223 O THR B 128 1.285 2.269 -15.667 1.00 54.44 O ATOM 1224 CB THR B 128 3.226 0.843 -13.263 1.00 14.23 C ATOM 1225 OG1 THR B 128 3.800 1.029 -11.958 1.00 74.42 O ATOM 1226 CG2 THR B 128 4.283 1.217 -14.318 1.00 73.43 C ATOM 0 H THR B 128 1.200 0.481 -11.829 1.00 44.45 H new ATOM 0 HA THR B 128 2.164 2.739 -13.326 1.00 74.23 H new ATOM 0 HB THR B 128 2.945 -0.198 -13.420 1.00 14.23 H new ATOM 0 HG1 THR B 128 3.203 0.649 -11.281 1.00 74.42 H new ATOM 0 HG21 THR B 128 5.173 0.604 -14.174 1.00 73.43 H new ATOM 0 HG22 THR B 128 3.879 1.042 -15.315 1.00 73.43 H new ATOM 0 HG23 THR B 128 4.546 2.269 -14.212 1.00 73.43 H new ATOM 1234 N ASP B 129 0.578 0.248 -14.875 1.00 24.21 N ATOM 1235 CA ASP B 129 -0.208 -0.151 -16.057 1.00 65.32 C ATOM 1236 C ASP B 129 -1.326 0.866 -16.315 1.00 73.52 C ATOM 1237 O ASP B 129 -1.565 1.257 -17.451 1.00 21.41 O ATOM 1238 CB ASP B 129 -0.822 -1.564 -15.841 1.00 64.44 C ATOM 1239 CG ASP B 129 -1.654 -2.072 -17.045 1.00 1.14 C ATOM 1240 OD1 ASP B 129 -2.853 -1.730 -17.154 1.00 4.34 O ATOM 1241 OD2 ASP B 129 -1.109 -2.816 -17.884 1.00 10.31 O ATOM 0 H ASP B 129 0.581 -0.456 -14.137 1.00 24.21 H new ATOM 0 HA ASP B 129 0.454 -0.180 -16.922 1.00 65.32 H new ATOM 0 HB2 ASP B 129 -0.019 -2.273 -15.641 1.00 64.44 H new ATOM 0 HB3 ASP B 129 -1.457 -1.543 -14.955 1.00 64.44 H new ATOM 1246 N LEU B 130 -1.982 1.286 -15.228 1.00 44.15 N ATOM 1247 CA LEU B 130 -3.114 2.208 -15.271 1.00 51.10 C ATOM 1248 C LEU B 130 -2.681 3.601 -15.721 1.00 11.14 C ATOM 1249 O LEU B 130 -3.380 4.222 -16.514 1.00 70.33 O ATOM 1250 CB LEU B 130 -3.847 2.251 -13.890 1.00 24.44 C ATOM 1251 CG LEU B 130 -5.150 1.400 -13.805 1.00 11.43 C ATOM 1252 CD1 LEU B 130 -6.201 1.943 -14.791 1.00 75.43 C ATOM 1253 CD2 LEU B 130 -4.874 -0.107 -14.046 1.00 4.13 C ATOM 0 H LEU B 130 -1.736 0.990 -14.284 1.00 44.15 H new ATOM 0 HA LEU B 130 -3.822 1.837 -16.012 1.00 51.10 H new ATOM 0 HB2 LEU B 130 -3.157 1.908 -13.119 1.00 24.44 H new ATOM 0 HB3 LEU B 130 -4.093 3.287 -13.659 1.00 24.44 H new ATOM 0 HG LEU B 130 -5.545 1.487 -12.793 1.00 11.43 H new ATOM 0 HD11 LEU B 130 -7.108 1.342 -14.724 1.00 75.43 H new ATOM 0 HD12 LEU B 130 -6.433 2.978 -14.542 1.00 75.43 H new ATOM 0 HD13 LEU B 130 -5.807 1.894 -15.806 1.00 75.43 H new ATOM 0 HD21 LEU B 130 -5.809 -0.664 -13.978 1.00 4.13 H new ATOM 0 HD22 LEU B 130 -4.442 -0.244 -15.037 1.00 4.13 H new ATOM 0 HD23 LEU B 130 -4.177 -0.474 -13.292 1.00 4.13 H new ATOM 1265 N LYS B 131 -1.518 4.077 -15.234 1.00 1.13 N ATOM 1266 CA LYS B 131 -0.992 5.409 -15.603 1.00 4.13 C ATOM 1267 C LYS B 131 -0.563 5.393 -17.099 1.00 55.41 C ATOM 1268 O LYS B 131 -0.624 6.427 -17.788 1.00 30.33 O ATOM 1269 CB LYS B 131 0.164 5.836 -14.614 1.00 42.52 C ATOM 1270 CG LYS B 131 1.640 5.607 -15.090 1.00 54.13 C ATOM 1271 CD LYS B 131 2.262 6.875 -15.738 1.00 53.40 C ATOM 1272 CE LYS B 131 3.665 6.638 -16.308 1.00 32.13 C ATOM 1273 NZ LYS B 131 3.644 5.700 -17.457 1.00 5.23 N ATOM 0 H LYS B 131 -0.925 3.560 -14.585 1.00 1.13 H new ATOM 0 HA LYS B 131 -1.766 6.170 -15.501 1.00 4.13 H new ATOM 0 HB2 LYS B 131 0.042 6.896 -14.391 1.00 42.52 H new ATOM 0 HB3 LYS B 131 0.024 5.295 -13.678 1.00 42.52 H new ATOM 0 HG2 LYS B 131 2.249 5.302 -14.239 1.00 54.13 H new ATOM 0 HG3 LYS B 131 1.663 4.788 -15.808 1.00 54.13 H new ATOM 0 HD2 LYS B 131 1.607 7.225 -16.536 1.00 53.40 H new ATOM 0 HD3 LYS B 131 2.309 7.669 -14.993 1.00 53.40 H new ATOM 0 HE2 LYS B 131 4.094 7.589 -16.624 1.00 32.13 H new ATOM 0 HE3 LYS B 131 4.312 6.240 -15.526 1.00 32.13 H new ATOM 0 HZ1 LYS B 131 4.590 5.658 -17.888 1.00 5.23 H new ATOM 0 HZ2 LYS B 131 3.371 4.752 -17.127 1.00 5.23 H new ATOM 0 HZ3 LYS B 131 2.956 6.032 -18.163 1.00 5.23 H new ATOM 1287 N LEU B 132 -0.159 4.190 -17.581 1.00 62.41 N ATOM 1288 CA LEU B 132 0.107 3.931 -19.005 1.00 53.51 C ATOM 1289 C LEU B 132 -1.213 3.976 -19.814 1.00 64.33 C ATOM 1290 O LEU B 132 -1.261 4.549 -20.896 1.00 52.42 O ATOM 1291 CB LEU B 132 0.811 2.557 -19.193 1.00 40.44 C ATOM 1292 CG LEU B 132 1.173 2.162 -20.668 1.00 74.33 C ATOM 1293 CD1 LEU B 132 2.208 3.127 -21.277 1.00 53.24 C ATOM 1294 CD2 LEU B 132 1.646 0.695 -20.761 1.00 64.22 C ATOM 0 H LEU B 132 -0.010 3.375 -16.985 1.00 62.41 H new ATOM 0 HA LEU B 132 0.773 4.709 -19.377 1.00 53.51 H new ATOM 0 HB2 LEU B 132 1.728 2.558 -18.603 1.00 40.44 H new ATOM 0 HB3 LEU B 132 0.166 1.782 -18.779 1.00 40.44 H new ATOM 0 HG LEU B 132 0.261 2.250 -21.259 1.00 74.33 H new ATOM 0 HD11 LEU B 132 2.434 2.821 -22.299 1.00 53.24 H new ATOM 0 HD12 LEU B 132 1.803 4.139 -21.282 1.00 53.24 H new ATOM 0 HD13 LEU B 132 3.121 3.105 -20.682 1.00 53.24 H new ATOM 0 HD21 LEU B 132 1.888 0.456 -21.796 1.00 64.22 H new ATOM 0 HD22 LEU B 132 2.531 0.558 -20.140 1.00 64.22 H new ATOM 0 HD23 LEU B 132 0.853 0.034 -20.412 1.00 64.22 H new ATOM 1306 N GLN B 133 -2.293 3.394 -19.261 1.00 52.32 N ATOM 1307 CA GLN B 133 -3.621 3.419 -19.911 1.00 72.12 C ATOM 1308 C GLN B 133 -4.172 4.856 -19.953 1.00 51.00 C ATOM 1309 O GLN B 133 -4.884 5.227 -20.891 1.00 34.15 O ATOM 1310 CB GLN B 133 -4.631 2.484 -19.193 1.00 21.20 C ATOM 1311 CG GLN B 133 -4.255 0.993 -19.175 1.00 54.21 C ATOM 1312 CD GLN B 133 -5.428 0.090 -18.791 1.00 42.04 C ATOM 1313 OE1 GLN B 133 -5.688 -0.044 -17.503 1.00 33.00 O flip ATOM 1314 NE2 GLN B 133 -6.141 -0.424 -19.656 1.00 60.44 N flip ATOM 0 H GLN B 133 -2.275 2.901 -18.368 1.00 52.32 H new ATOM 0 HA GLN B 133 -3.492 3.053 -20.930 1.00 72.12 H new ATOM 0 HB2 GLN B 133 -4.746 2.824 -18.164 1.00 21.20 H new ATOM 0 HB3 GLN B 133 -5.603 2.590 -19.674 1.00 21.20 H new ATOM 0 HG2 GLN B 133 -3.887 0.704 -20.160 1.00 54.21 H new ATOM 0 HG3 GLN B 133 -3.437 0.838 -18.471 1.00 54.21 H new ATOM 0 HE21 GLN B 133 -5.914 -0.302 -20.643 1.00 60.44 H new ATOM 0 HE22 GLN B 133 -6.958 -0.971 -19.385 1.00 60.44 H new ATOM 1323 N LEU B 134 -3.832 5.652 -18.921 1.00 61.33 N ATOM 1324 CA LEU B 134 -4.246 7.061 -18.811 1.00 42.24 C ATOM 1325 C LEU B 134 -3.671 7.885 -19.978 1.00 54.23 C ATOM 1326 O LEU B 134 -4.418 8.555 -20.680 1.00 71.24 O ATOM 1327 CB LEU B 134 -3.819 7.671 -17.427 1.00 42.01 C ATOM 1328 CG LEU B 134 -4.925 7.795 -16.333 1.00 4.11 C ATOM 1329 CD1 LEU B 134 -6.124 8.615 -16.843 1.00 72.23 C ATOM 1330 CD2 LEU B 134 -5.373 6.425 -15.796 1.00 24.24 C ATOM 0 H LEU B 134 -3.261 5.333 -18.139 1.00 61.33 H new ATOM 0 HA LEU B 134 -5.334 7.100 -18.868 1.00 42.24 H new ATOM 0 HB2 LEU B 134 -3.011 7.061 -17.023 1.00 42.01 H new ATOM 0 HB3 LEU B 134 -3.409 8.665 -17.607 1.00 42.01 H new ATOM 0 HG LEU B 134 -4.481 8.332 -15.495 1.00 4.11 H new ATOM 0 HD11 LEU B 134 -6.878 8.684 -16.059 1.00 72.23 H new ATOM 0 HD12 LEU B 134 -5.791 9.617 -17.115 1.00 72.23 H new ATOM 0 HD13 LEU B 134 -6.554 8.126 -17.717 1.00 72.23 H new ATOM 0 HD21 LEU B 134 -6.143 6.566 -15.038 1.00 24.24 H new ATOM 0 HD22 LEU B 134 -5.774 5.827 -16.614 1.00 24.24 H new ATOM 0 HD23 LEU B 134 -4.519 5.910 -15.355 1.00 24.24 H new