USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 573 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ 157:sc= -0.638 (180deg=-1.41) USER MOD Single : A 4 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0655) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.13) USER MOD Single : A 13 ASN :FLIP amide:sc= -0.444 F(o=-2.2!,f=-0.44) USER MOD Single : A 15 LYS NZ :NH3+ -161:sc= 1.01 (180deg=0.744) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -1.8 K(o=-1.8,f=-3.8!) USER MOD Single : A 21 HIS : no HE2:sc= 0.242 K(o=0.24,f=-1.1) USER MOD Single : A 23 THR OG1 : rot 73:sc= 1.07 USER MOD Single : A 24 ASN :FLIP amide:sc= -1.65 F(o=-4.2!,f=-1.6) USER MOD Single : A 25 MET CE :methyl -175:sc= 0 (180deg=-0.0217) USER MOD Single : A 28 THR OG1 : rot 76:sc= 1.07 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.29 F(o=-2.9!,f=-0.29) USER MOD Single : B 103 LYS NZ :NH3+ 165:sc= -0.0124 (180deg=-0.154) USER MOD Single : B 104 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00307) USER MOD Single : B 106 TYR OH : rot 180:sc= 0 USER MOD Single : B 108 GLN : amide:sc= -0.351 X(o=-0.35,f=-0.082) USER MOD Single : B 113 ASN : amide:sc= -0.0501 X(o=-0.05,f=-0.021) USER MOD Single : B 115 LYS NZ :NH3+ -171:sc= 0.45 (180deg=0.409) USER MOD Single : B 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 119 GLN : amide:sc= -2.32! C(o=-2.3!,f=-3!) USER MOD Single : B 121 HIS : no HE2:sc= 0.233 K(o=0.23,f=-1) USER MOD Single : B 123 THR OG1 : rot 77:sc= 1.05 USER MOD Single : B 124 ASN :FLIP amide:sc= -0.444 F(o=-2.3,f=-0.44) USER MOD Single : B 125 MET CE :methyl -167:sc= -0.0415 (180deg=-0.311) USER MOD Single : B 128 THR OG1 : rot 68:sc= 1.19 USER MOD Single : B 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 133 GLN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 3 12.453 -6.841 21.836 1.00 24.14 N ATOM 36 CA LYS A 3 11.493 -5.740 22.046 1.00 51.31 C ATOM 37 C LYS A 3 11.536 -4.758 20.852 1.00 73.40 C ATOM 38 O LYS A 3 10.483 -4.325 20.352 1.00 63.43 O ATOM 39 CB LYS A 3 11.706 -4.996 23.411 1.00 12.13 C ATOM 40 CG LYS A 3 12.802 -3.889 23.456 1.00 11.41 C ATOM 41 CD LYS A 3 14.264 -4.411 23.512 1.00 11.12 C ATOM 42 CE LYS A 3 14.725 -4.759 24.946 1.00 12.12 C ATOM 43 NZ LYS A 3 13.969 -5.892 25.555 1.00 32.21 N ATOM 0 HA LYS A 3 10.499 -6.183 22.100 1.00 51.31 H new ATOM 0 HB2 LYS A 3 10.757 -4.544 23.701 1.00 12.13 H new ATOM 0 HB3 LYS A 3 11.948 -5.742 24.168 1.00 12.13 H new ATOM 0 HG2 LYS A 3 12.692 -3.255 22.576 1.00 11.41 H new ATOM 0 HG3 LYS A 3 12.624 -3.259 24.327 1.00 11.41 H new ATOM 0 HD2 LYS A 3 14.352 -5.297 22.883 1.00 11.12 H new ATOM 0 HD3 LYS A 3 14.930 -3.656 23.095 1.00 11.12 H new ATOM 0 HE2 LYS A 3 15.786 -5.009 24.928 1.00 12.12 H new ATOM 0 HE3 LYS A 3 14.616 -3.878 25.578 1.00 12.12 H new ATOM 0 HZ1 LYS A 3 14.541 -6.327 26.307 1.00 32.21 H new ATOM 0 HZ2 LYS A 3 13.078 -5.538 25.958 1.00 32.21 H new ATOM 0 HZ3 LYS A 3 13.760 -6.602 24.825 1.00 32.21 H new ATOM 57 N LYS A 4 12.764 -4.434 20.363 1.00 35.01 N ATOM 58 CA LYS A 4 12.923 -3.522 19.230 1.00 65.34 C ATOM 59 C LYS A 4 12.513 -4.247 17.946 1.00 3.35 C ATOM 60 O LYS A 4 11.991 -3.617 17.049 1.00 23.32 O ATOM 61 CB LYS A 4 14.373 -2.943 19.140 1.00 72.32 C ATOM 62 CG LYS A 4 15.500 -3.943 18.729 1.00 33.45 C ATOM 63 CD LYS A 4 15.875 -3.916 17.220 1.00 13.40 C ATOM 64 CE LYS A 4 16.486 -2.575 16.778 1.00 45.03 C ATOM 65 NZ LYS A 4 17.786 -2.317 17.450 1.00 11.24 N ATOM 0 H LYS A 4 13.641 -4.794 20.741 1.00 35.01 H new ATOM 0 HA LYS A 4 12.271 -2.661 19.375 1.00 65.34 H new ATOM 0 HB2 LYS A 4 14.368 -2.122 18.423 1.00 72.32 H new ATOM 0 HB3 LYS A 4 14.631 -2.518 20.110 1.00 72.32 H new ATOM 0 HG2 LYS A 4 16.393 -3.724 19.315 1.00 33.45 H new ATOM 0 HG3 LYS A 4 15.185 -4.953 18.993 1.00 33.45 H new ATOM 0 HD2 LYS A 4 16.583 -4.718 17.013 1.00 13.40 H new ATOM 0 HD3 LYS A 4 14.984 -4.117 16.626 1.00 13.40 H new ATOM 0 HE2 LYS A 4 16.629 -2.578 15.697 1.00 45.03 H new ATOM 0 HE3 LYS A 4 15.792 -1.766 17.005 1.00 45.03 H new ATOM 0 HZ1 LYS A 4 18.225 -1.467 17.042 1.00 11.24 H new ATOM 0 HZ2 LYS A 4 17.628 -2.171 18.468 1.00 11.24 H new ATOM 0 HZ3 LYS A 4 18.416 -3.132 17.311 1.00 11.24 H new ATOM 79 N LEU A 5 12.740 -5.593 17.903 1.00 3.21 N ATOM 80 CA LEU A 5 12.333 -6.458 16.769 1.00 64.31 C ATOM 81 C LEU A 5 10.840 -6.276 16.467 1.00 52.23 C ATOM 82 O LEU A 5 10.451 -6.106 15.307 1.00 41.52 O ATOM 83 CB LEU A 5 12.600 -7.951 17.092 1.00 40.14 C ATOM 84 CG LEU A 5 12.238 -8.966 15.954 1.00 72.32 C ATOM 85 CD1 LEU A 5 13.216 -8.852 14.773 1.00 53.11 C ATOM 86 CD2 LEU A 5 12.149 -10.415 16.479 1.00 3.23 C ATOM 0 H LEU A 5 13.209 -6.101 18.653 1.00 3.21 H new ATOM 0 HA LEU A 5 12.923 -6.166 15.900 1.00 64.31 H new ATOM 0 HB2 LEU A 5 13.656 -8.068 17.336 1.00 40.14 H new ATOM 0 HB3 LEU A 5 12.035 -8.218 17.985 1.00 40.14 H new ATOM 0 HG LEU A 5 11.246 -8.700 15.589 1.00 72.32 H new ATOM 0 HD11 LEU A 5 12.938 -9.569 14.000 1.00 53.11 H new ATOM 0 HD12 LEU A 5 13.176 -7.843 14.363 1.00 53.11 H new ATOM 0 HD13 LEU A 5 14.228 -9.064 15.117 1.00 53.11 H new ATOM 0 HD21 LEU A 5 11.896 -11.085 15.657 1.00 3.23 H new ATOM 0 HD22 LEU A 5 13.109 -10.708 16.903 1.00 3.23 H new ATOM 0 HD23 LEU A 5 11.379 -10.477 17.248 1.00 3.23 H new ATOM 98 N TYR A 6 10.028 -6.313 17.552 1.00 44.33 N ATOM 99 CA TYR A 6 8.579 -6.080 17.503 1.00 52.44 C ATOM 100 C TYR A 6 8.272 -4.750 16.822 1.00 21.30 C ATOM 101 O TYR A 6 7.431 -4.680 15.937 1.00 42.43 O ATOM 102 CB TYR A 6 7.993 -6.124 18.946 1.00 62.44 C ATOM 103 CG TYR A 6 6.458 -6.263 19.006 1.00 21.03 C ATOM 104 CD1 TYR A 6 5.859 -7.521 18.876 1.00 52.42 C ATOM 105 CD2 TYR A 6 5.620 -5.157 19.174 1.00 1.10 C ATOM 106 CE1 TYR A 6 4.491 -7.673 18.915 1.00 73.14 C ATOM 107 CE2 TYR A 6 4.246 -5.307 19.214 1.00 23.02 C ATOM 108 CZ TYR A 6 3.688 -6.567 19.085 1.00 11.12 C ATOM 109 OH TYR A 6 2.317 -6.719 19.125 1.00 22.21 O ATOM 0 H TYR A 6 10.373 -6.508 18.492 1.00 44.33 H new ATOM 0 HA TYR A 6 8.109 -6.867 16.914 1.00 52.44 H new ATOM 0 HB2 TYR A 6 8.443 -6.960 19.482 1.00 62.44 H new ATOM 0 HB3 TYR A 6 8.284 -5.214 19.471 1.00 62.44 H new ATOM 0 HD1 TYR A 6 6.483 -8.392 18.742 1.00 52.42 H new ATOM 0 HD2 TYR A 6 6.051 -4.172 19.274 1.00 1.10 H new ATOM 0 HE1 TYR A 6 4.050 -8.654 18.813 1.00 73.14 H new ATOM 0 HE2 TYR A 6 3.610 -4.444 19.345 1.00 23.02 H new ATOM 0 HH TYR A 6 1.894 -5.844 19.252 1.00 22.21 H new ATOM 119 N GLU A 7 9.017 -3.720 17.224 1.00 63.21 N ATOM 120 CA GLU A 7 8.855 -2.358 16.719 1.00 62.15 C ATOM 121 C GLU A 7 9.313 -2.191 15.258 1.00 15.43 C ATOM 122 O GLU A 7 8.702 -1.430 14.528 1.00 32.23 O ATOM 123 CB GLU A 7 9.619 -1.389 17.650 1.00 2.22 C ATOM 124 CG GLU A 7 9.058 -1.326 19.089 1.00 35.40 C ATOM 125 CD GLU A 7 7.571 -0.915 19.151 1.00 44.34 C ATOM 126 OE1 GLU A 7 7.276 0.304 19.102 1.00 4.22 O ATOM 127 OE2 GLU A 7 6.687 -1.805 19.232 1.00 62.32 O ATOM 0 H GLU A 7 9.759 -3.810 17.918 1.00 63.21 H new ATOM 0 HA GLU A 7 7.790 -2.126 16.720 1.00 62.15 H new ATOM 0 HB2 GLU A 7 10.665 -1.691 17.692 1.00 2.22 H new ATOM 0 HB3 GLU A 7 9.593 -0.389 17.217 1.00 2.22 H new ATOM 0 HG2 GLU A 7 9.177 -2.302 19.560 1.00 35.40 H new ATOM 0 HG3 GLU A 7 9.648 -0.617 19.670 1.00 35.40 H new ATOM 134 N GLN A 8 10.393 -2.890 14.856 1.00 3.24 N ATOM 135 CA GLN A 8 11.002 -2.728 13.515 1.00 21.03 C ATOM 136 C GLN A 8 10.070 -3.231 12.417 1.00 2.24 C ATOM 137 O GLN A 8 9.699 -2.453 11.520 1.00 34.41 O ATOM 138 CB GLN A 8 12.394 -3.425 13.408 1.00 45.43 C ATOM 139 CG GLN A 8 13.442 -2.956 14.438 1.00 61.54 C ATOM 140 CD GLN A 8 13.433 -1.445 14.704 1.00 2.44 C ATOM 141 OE1 GLN A 8 14.134 -0.677 14.051 1.00 32.10 O ATOM 142 NE2 GLN A 8 12.618 -1.017 15.663 1.00 64.40 N ATOM 0 H GLN A 8 10.866 -3.577 15.443 1.00 3.24 H new ATOM 0 HA GLN A 8 11.159 -1.659 13.374 1.00 21.03 H new ATOM 0 HB2 GLN A 8 12.254 -4.500 13.519 1.00 45.43 H new ATOM 0 HB3 GLN A 8 12.791 -3.257 12.407 1.00 45.43 H new ATOM 0 HG2 GLN A 8 13.270 -3.480 15.378 1.00 61.54 H new ATOM 0 HG3 GLN A 8 14.433 -3.246 14.088 1.00 61.54 H new ATOM 0 HE21 GLN A 8 12.050 -1.684 16.185 1.00 64.40 H new ATOM 0 HE22 GLN A 8 12.560 -0.021 15.877 1.00 64.40 H new ATOM 151 N ILE A 9 9.701 -4.532 12.491 1.00 1.13 N ATOM 152 CA ILE A 9 8.759 -5.136 11.537 1.00 71.15 C ATOM 153 C ILE A 9 7.437 -4.343 11.497 1.00 1.43 C ATOM 154 O ILE A 9 6.919 -4.060 10.424 1.00 63.20 O ATOM 155 CB ILE A 9 8.374 -6.619 11.882 1.00 75.33 C ATOM 156 CG1 ILE A 9 9.549 -7.437 12.462 1.00 11.55 C ATOM 157 CG2 ILE A 9 7.796 -7.324 10.625 1.00 43.21 C ATOM 158 CD1 ILE A 9 9.091 -8.732 13.098 1.00 13.24 C ATOM 0 H ILE A 9 10.044 -5.177 13.203 1.00 1.13 H new ATOM 0 HA ILE A 9 9.283 -5.114 10.581 1.00 71.15 H new ATOM 0 HB ILE A 9 7.616 -6.572 12.664 1.00 75.33 H new ATOM 0 HG12 ILE A 9 10.262 -7.658 11.667 1.00 11.55 H new ATOM 0 HG13 ILE A 9 10.075 -6.837 13.204 1.00 11.55 H new ATOM 0 HG21 ILE A 9 7.532 -8.352 10.874 1.00 43.21 H new ATOM 0 HG22 ILE A 9 6.907 -6.792 10.286 1.00 43.21 H new ATOM 0 HG23 ILE A 9 8.543 -7.323 9.831 1.00 43.21 H new ATOM 0 HD11 ILE A 9 9.954 -9.270 13.490 1.00 13.24 H new ATOM 0 HD12 ILE A 9 8.399 -8.513 13.911 1.00 13.24 H new ATOM 0 HD13 ILE A 9 8.589 -9.347 12.351 1.00 13.24 H new ATOM 170 N LEU A 10 6.905 -4.034 12.703 1.00 43.41 N ATOM 171 CA LEU A 10 5.583 -3.398 12.885 1.00 24.04 C ATOM 172 C LEU A 10 5.567 -1.931 12.420 1.00 55.21 C ATOM 173 O LEU A 10 4.517 -1.424 12.011 1.00 53.31 O ATOM 174 CB LEU A 10 5.138 -3.497 14.363 1.00 43.55 C ATOM 175 CG LEU A 10 3.630 -3.217 14.658 1.00 41.12 C ATOM 176 CD1 LEU A 10 2.718 -4.254 13.967 1.00 33.23 C ATOM 177 CD2 LEU A 10 3.363 -3.161 16.171 1.00 65.44 C ATOM 0 H LEU A 10 7.387 -4.221 13.582 1.00 43.41 H new ATOM 0 HA LEU A 10 4.877 -3.941 12.257 1.00 24.04 H new ATOM 0 HB2 LEU A 10 5.376 -4.497 14.725 1.00 43.55 H new ATOM 0 HB3 LEU A 10 5.735 -2.797 14.947 1.00 43.55 H new ATOM 0 HG LEU A 10 3.388 -2.240 14.241 1.00 41.12 H new ATOM 0 HD11 LEU A 10 1.676 -4.030 14.193 1.00 33.23 H new ATOM 0 HD12 LEU A 10 2.872 -4.213 12.889 1.00 33.23 H new ATOM 0 HD13 LEU A 10 2.961 -5.252 14.331 1.00 33.23 H new ATOM 0 HD21 LEU A 10 2.305 -2.965 16.347 1.00 65.44 H new ATOM 0 HD22 LEU A 10 3.635 -4.114 16.624 1.00 65.44 H new ATOM 0 HD23 LEU A 10 3.959 -2.364 16.616 1.00 65.44 H new ATOM 189 N ALA A 11 6.727 -1.252 12.499 1.00 1.22 N ATOM 190 CA ALA A 11 6.885 0.098 11.933 1.00 32.20 C ATOM 191 C ALA A 11 6.771 0.025 10.409 1.00 44.52 C ATOM 192 O ALA A 11 6.055 0.811 9.796 1.00 73.51 O ATOM 193 CB ALA A 11 8.217 0.737 12.357 1.00 14.51 C ATOM 0 H ALA A 11 7.567 -1.617 12.949 1.00 1.22 H new ATOM 0 HA ALA A 11 6.091 0.735 12.323 1.00 32.20 H new ATOM 0 HB1 ALA A 11 8.298 1.732 11.920 1.00 14.51 H new ATOM 0 HB2 ALA A 11 8.254 0.813 13.444 1.00 14.51 H new ATOM 0 HB3 ALA A 11 9.044 0.119 12.008 1.00 14.51 H new ATOM 199 N GLU A 12 7.468 -0.956 9.818 1.00 72.41 N ATOM 200 CA GLU A 12 7.387 -1.252 8.380 1.00 45.23 C ATOM 201 C GLU A 12 6.001 -1.794 7.990 1.00 20.52 C ATOM 202 O GLU A 12 5.559 -1.588 6.873 1.00 63.34 O ATOM 203 CB GLU A 12 8.511 -2.249 7.968 1.00 61.01 C ATOM 204 CG GLU A 12 9.874 -1.577 7.694 1.00 75.43 C ATOM 205 CD GLU A 12 9.831 -0.645 6.472 1.00 4.14 C ATOM 206 OE1 GLU A 12 10.023 0.584 6.619 1.00 74.11 O ATOM 207 OE2 GLU A 12 9.583 -1.139 5.353 1.00 23.14 O ATOM 0 H GLU A 12 8.106 -1.569 10.326 1.00 72.41 H new ATOM 0 HA GLU A 12 7.534 -0.318 7.837 1.00 45.23 H new ATOM 0 HB2 GLU A 12 8.634 -2.989 8.759 1.00 61.01 H new ATOM 0 HB3 GLU A 12 8.196 -2.787 7.074 1.00 61.01 H new ATOM 0 HG2 GLU A 12 10.178 -1.007 8.572 1.00 75.43 H new ATOM 0 HG3 GLU A 12 10.630 -2.346 7.535 1.00 75.43 H new ATOM 214 N ASN A 13 5.321 -2.459 8.936 1.00 44.50 N ATOM 215 CA ASN A 13 4.010 -3.088 8.701 1.00 24.52 C ATOM 216 C ASN A 13 2.934 -2.000 8.572 1.00 64.23 C ATOM 217 O ASN A 13 2.157 -1.995 7.615 1.00 62.24 O ATOM 218 CB ASN A 13 3.674 -4.052 9.866 1.00 33.23 C ATOM 219 CG ASN A 13 2.509 -4.989 9.569 1.00 11.01 C ATOM 220 OD1 ASN A 13 2.820 -6.191 9.114 1.00 54.41 O flip ATOM 221 ND2 ASN A 13 1.343 -4.643 9.754 1.00 4.31 N flip ATOM 0 H ASN A 13 5.665 -2.577 9.889 1.00 44.50 H new ATOM 0 HA ASN A 13 4.041 -3.662 7.775 1.00 24.52 H new ATOM 0 HB2 ASN A 13 4.557 -4.647 10.100 1.00 33.23 H new ATOM 0 HB3 ASN A 13 3.440 -3.466 10.755 1.00 33.23 H new ATOM 0 HD21 ASN A 13 1.138 -3.708 10.106 1.00 4.31 H new ATOM 0 HD22 ASN A 13 0.581 -5.291 9.555 1.00 4.31 H new ATOM 228 N GLU A 14 2.947 -1.049 9.535 1.00 44.22 N ATOM 229 CA GLU A 14 2.036 0.107 9.547 1.00 1.32 C ATOM 230 C GLU A 14 2.344 1.010 8.338 1.00 0.01 C ATOM 231 O GLU A 14 1.443 1.641 7.775 1.00 53.03 O ATOM 232 CB GLU A 14 2.171 0.914 10.883 1.00 73.30 C ATOM 233 CG GLU A 14 3.223 2.049 10.854 1.00 3.23 C ATOM 234 CD GLU A 14 3.477 2.713 12.204 1.00 12.14 C ATOM 235 OE1 GLU A 14 2.648 3.547 12.627 1.00 60.30 O ATOM 236 OE2 GLU A 14 4.492 2.400 12.853 1.00 31.24 O ATOM 0 H GLU A 14 3.593 -1.067 10.324 1.00 44.22 H new ATOM 0 HA GLU A 14 1.009 -0.252 9.479 1.00 1.32 H new ATOM 0 HB2 GLU A 14 1.200 1.344 11.131 1.00 73.30 H new ATOM 0 HB3 GLU A 14 2.427 0.221 11.685 1.00 73.30 H new ATOM 0 HG2 GLU A 14 4.164 1.645 10.479 1.00 3.23 H new ATOM 0 HG3 GLU A 14 2.898 2.810 10.145 1.00 3.23 H new ATOM 243 N LYS A 15 3.648 1.050 7.968 1.00 4.41 N ATOM 244 CA LYS A 15 4.139 1.869 6.873 1.00 74.54 C ATOM 245 C LYS A 15 3.572 1.338 5.555 1.00 3.32 C ATOM 246 O LYS A 15 3.117 2.107 4.724 1.00 23.41 O ATOM 247 CB LYS A 15 5.682 1.846 6.811 1.00 43.22 C ATOM 248 CG LYS A 15 6.309 2.884 5.836 1.00 45.43 C ATOM 249 CD LYS A 15 7.523 2.336 5.056 1.00 44.45 C ATOM 250 CE LYS A 15 7.156 1.191 4.086 1.00 53.44 C ATOM 251 NZ LYS A 15 8.362 0.624 3.433 1.00 20.22 N ATOM 0 H LYS A 15 4.376 0.508 8.432 1.00 4.41 H new ATOM 0 HA LYS A 15 3.816 2.897 7.037 1.00 74.54 H new ATOM 0 HB2 LYS A 15 6.075 2.024 7.812 1.00 43.22 H new ATOM 0 HB3 LYS A 15 6.005 0.848 6.515 1.00 43.22 H new ATOM 0 HG2 LYS A 15 5.548 3.211 5.127 1.00 45.43 H new ATOM 0 HG3 LYS A 15 6.617 3.763 6.402 1.00 45.43 H new ATOM 0 HD2 LYS A 15 7.981 3.148 4.492 1.00 44.45 H new ATOM 0 HD3 LYS A 15 8.270 1.978 5.764 1.00 44.45 H new ATOM 0 HE2 LYS A 15 6.632 0.405 4.630 1.00 53.44 H new ATOM 0 HE3 LYS A 15 6.470 1.563 3.325 1.00 53.44 H new ATOM 0 HZ1 LYS A 15 8.081 0.103 2.578 1.00 20.22 H new ATOM 0 HZ2 LYS A 15 9.010 1.394 3.172 1.00 20.22 H new ATOM 0 HZ3 LYS A 15 8.841 -0.024 4.091 1.00 20.22 H new ATOM 265 N LEU A 16 3.597 -0.011 5.405 1.00 75.24 N ATOM 266 CA LEU A 16 3.085 -0.709 4.215 1.00 70.14 C ATOM 267 C LEU A 16 1.553 -0.596 4.123 1.00 11.30 C ATOM 268 O LEU A 16 0.990 -0.645 3.028 1.00 23.22 O ATOM 269 CB LEU A 16 3.544 -2.188 4.177 1.00 41.41 C ATOM 270 CG LEU A 16 5.074 -2.425 3.966 1.00 10.23 C ATOM 271 CD1 LEU A 16 5.426 -3.922 4.024 1.00 61.32 C ATOM 272 CD2 LEU A 16 5.573 -1.795 2.652 1.00 52.43 C ATOM 0 H LEU A 16 3.976 -0.640 6.113 1.00 75.24 H new ATOM 0 HA LEU A 16 3.509 -0.217 3.340 1.00 70.14 H new ATOM 0 HB2 LEU A 16 3.248 -2.664 5.112 1.00 41.41 H new ATOM 0 HB3 LEU A 16 3.004 -2.695 3.377 1.00 41.41 H new ATOM 0 HG LEU A 16 5.589 -1.927 4.788 1.00 10.23 H new ATOM 0 HD11 LEU A 16 6.498 -4.050 3.873 1.00 61.32 H new ATOM 0 HD12 LEU A 16 5.146 -4.324 4.998 1.00 61.32 H new ATOM 0 HD13 LEU A 16 4.884 -4.454 3.242 1.00 61.32 H new ATOM 0 HD21 LEU A 16 6.641 -1.982 2.542 1.00 52.43 H new ATOM 0 HD22 LEU A 16 5.039 -2.237 1.811 1.00 52.43 H new ATOM 0 HD23 LEU A 16 5.393 -0.720 2.672 1.00 52.43 H new ATOM 284 N LYS A 17 0.890 -0.435 5.281 1.00 63.44 N ATOM 285 CA LYS A 17 -0.559 -0.184 5.340 1.00 55.55 C ATOM 286 C LYS A 17 -0.889 1.282 4.998 1.00 62.13 C ATOM 287 O LYS A 17 -1.975 1.577 4.480 1.00 34.41 O ATOM 288 CB LYS A 17 -1.129 -0.598 6.719 1.00 4.44 C ATOM 289 CG LYS A 17 -1.072 -2.126 6.972 1.00 23.20 C ATOM 290 CD LYS A 17 -1.699 -2.556 8.317 1.00 23.10 C ATOM 291 CE LYS A 17 -0.996 -1.939 9.529 1.00 25.24 C ATOM 292 NZ LYS A 17 -1.597 -2.391 10.802 1.00 62.35 N ATOM 0 H LYS A 17 1.340 -0.475 6.196 1.00 63.44 H new ATOM 0 HA LYS A 17 -1.043 -0.802 4.584 1.00 55.55 H new ATOM 0 HB2 LYS A 17 -0.572 -0.086 7.503 1.00 4.44 H new ATOM 0 HB3 LYS A 17 -2.164 -0.263 6.792 1.00 4.44 H new ATOM 0 HG2 LYS A 17 -1.587 -2.639 6.160 1.00 23.20 H new ATOM 0 HG3 LYS A 17 -0.032 -2.451 6.945 1.00 23.20 H new ATOM 0 HD2 LYS A 17 -2.751 -2.270 8.329 1.00 23.10 H new ATOM 0 HD3 LYS A 17 -1.663 -3.642 8.397 1.00 23.10 H new ATOM 0 HE2 LYS A 17 0.061 -2.206 9.511 1.00 25.24 H new ATOM 0 HE3 LYS A 17 -1.051 -0.852 9.467 1.00 25.24 H new ATOM 0 HZ1 LYS A 17 -1.094 -1.952 11.599 1.00 62.35 H new ATOM 0 HZ2 LYS A 17 -2.599 -2.114 10.830 1.00 62.35 H new ATOM 0 HZ3 LYS A 17 -1.522 -3.426 10.873 1.00 62.35 H new ATOM 306 N ALA A 18 0.075 2.185 5.256 1.00 43.54 N ATOM 307 CA ALA A 18 -0.067 3.615 4.954 1.00 44.33 C ATOM 308 C ALA A 18 0.069 3.840 3.441 1.00 60.53 C ATOM 309 O ALA A 18 -0.829 4.374 2.806 1.00 64.31 O ATOM 310 CB ALA A 18 0.969 4.438 5.746 1.00 44.12 C ATOM 0 H ALA A 18 0.971 1.941 5.679 1.00 43.54 H new ATOM 0 HA ALA A 18 -1.056 3.954 5.261 1.00 44.33 H new ATOM 0 HB1 ALA A 18 0.850 5.496 5.511 1.00 44.12 H new ATOM 0 HB2 ALA A 18 0.816 4.284 6.814 1.00 44.12 H new ATOM 0 HB3 ALA A 18 1.974 4.116 5.474 1.00 44.12 H new ATOM 316 N GLN A 19 1.184 3.372 2.861 1.00 0.04 N ATOM 317 CA GLN A 19 1.462 3.514 1.423 1.00 54.54 C ATOM 318 C GLN A 19 0.461 2.737 0.554 1.00 1.24 C ATOM 319 O GLN A 19 0.177 3.168 -0.568 1.00 74.12 O ATOM 320 CB GLN A 19 2.917 3.093 1.115 1.00 4.14 C ATOM 321 CG GLN A 19 3.336 1.722 1.683 1.00 2.24 C ATOM 322 CD GLN A 19 3.448 0.595 0.666 1.00 43.32 C ATOM 323 OE1 GLN A 19 4.473 0.444 0.013 1.00 2.42 O ATOM 324 NE2 GLN A 19 2.429 -0.245 0.586 1.00 45.14 N ATOM 0 H GLN A 19 1.918 2.885 3.375 1.00 0.04 H new ATOM 0 HA GLN A 19 1.341 4.567 1.167 1.00 54.54 H new ATOM 0 HB2 GLN A 19 3.053 3.078 0.034 1.00 4.14 H new ATOM 0 HB3 GLN A 19 3.590 3.854 1.510 1.00 4.14 H new ATOM 0 HG2 GLN A 19 4.299 1.834 2.182 1.00 2.24 H new ATOM 0 HG3 GLN A 19 2.614 1.429 2.445 1.00 2.24 H new ATOM 0 HE21 GLN A 19 1.592 -0.086 1.146 1.00 45.14 H new ATOM 0 HE22 GLN A 19 2.481 -1.052 -0.036 1.00 45.14 H new ATOM 333 N LEU A 20 -0.069 1.585 1.064 1.00 2.24 N ATOM 334 CA LEU A 20 -1.149 0.864 0.353 1.00 14.12 C ATOM 335 C LEU A 20 -2.408 1.736 0.326 1.00 34.12 C ATOM 336 O LEU A 20 -3.017 1.859 -0.719 1.00 31.11 O ATOM 337 CB LEU A 20 -1.440 -0.581 0.916 1.00 74.11 C ATOM 338 CG LEU A 20 -2.472 -0.817 2.104 1.00 65.51 C ATOM 339 CD1 LEU A 20 -3.955 -0.820 1.646 1.00 75.20 C ATOM 340 CD2 LEU A 20 -2.180 -2.141 2.831 1.00 15.44 C ATOM 0 H LEU A 20 0.229 1.153 1.939 1.00 2.24 H new ATOM 0 HA LEU A 20 -0.805 0.689 -0.666 1.00 14.12 H new ATOM 0 HB2 LEU A 20 -1.780 -1.186 0.076 1.00 74.11 H new ATOM 0 HB3 LEU A 20 -0.484 -0.994 1.240 1.00 74.11 H new ATOM 0 HG LEU A 20 -2.333 0.029 2.778 1.00 65.51 H new ATOM 0 HD11 LEU A 20 -4.602 -0.986 2.508 1.00 75.20 H new ATOM 0 HD12 LEU A 20 -4.197 0.140 1.190 1.00 75.20 H new ATOM 0 HD13 LEU A 20 -4.109 -1.616 0.918 1.00 75.20 H new ATOM 0 HD21 LEU A 20 -2.899 -2.279 3.639 1.00 15.44 H new ATOM 0 HD22 LEU A 20 -2.262 -2.969 2.127 1.00 15.44 H new ATOM 0 HD23 LEU A 20 -1.172 -2.115 3.244 1.00 15.44 H new ATOM 352 N HIS A 21 -2.764 2.351 1.490 1.00 41.23 N ATOM 353 CA HIS A 21 -3.922 3.280 1.625 1.00 64.11 C ATOM 354 C HIS A 21 -3.922 4.323 0.498 1.00 40.24 C ATOM 355 O HIS A 21 -4.950 4.549 -0.152 1.00 73.33 O ATOM 356 CB HIS A 21 -3.881 3.971 3.030 1.00 21.12 C ATOM 357 CG HIS A 21 -4.602 5.300 3.127 1.00 55.24 C ATOM 358 ND1 HIS A 21 -3.983 6.503 2.840 1.00 52.01 N ATOM 359 CD2 HIS A 21 -5.874 5.611 3.459 1.00 54.33 C ATOM 360 CE1 HIS A 21 -4.845 7.484 2.985 1.00 55.33 C ATOM 361 NE2 HIS A 21 -6.001 6.970 3.353 1.00 30.14 N ATOM 0 H HIS A 21 -2.254 2.215 2.363 1.00 41.23 H new ATOM 0 HA HIS A 21 -4.846 2.708 1.542 1.00 64.11 H new ATOM 0 HB2 HIS A 21 -4.313 3.289 3.763 1.00 21.12 H new ATOM 0 HB3 HIS A 21 -2.839 4.122 3.310 1.00 21.12 H new ATOM 0 HD1 HIS A 21 -3.008 6.612 2.559 1.00 52.01 H new ATOM 0 HD2 HIS A 21 -6.647 4.917 3.753 1.00 54.33 H new ATOM 0 HE1 HIS A 21 -4.641 8.533 2.829 1.00 55.33 H new ATOM 370 N ASP A 22 -2.738 4.917 0.269 1.00 12.23 N ATOM 371 CA ASP A 22 -2.524 5.923 -0.779 1.00 52.24 C ATOM 372 C ASP A 22 -2.684 5.318 -2.174 1.00 13.13 C ATOM 373 O ASP A 22 -3.443 5.850 -2.978 1.00 11.01 O ATOM 374 CB ASP A 22 -1.138 6.584 -0.631 1.00 72.13 C ATOM 375 CG ASP A 22 -1.048 7.429 0.645 1.00 44.02 C ATOM 376 OD1 ASP A 22 -1.016 8.663 0.567 1.00 1.31 O ATOM 377 OD2 ASP A 22 -1.054 6.856 1.741 1.00 44.44 O ATOM 0 H ASP A 22 -1.899 4.709 0.811 1.00 12.23 H new ATOM 0 HA ASP A 22 -3.287 6.691 -0.658 1.00 52.24 H new ATOM 0 HB2 ASP A 22 -0.367 5.814 -0.613 1.00 72.13 H new ATOM 0 HB3 ASP A 22 -0.940 7.213 -1.499 1.00 72.13 H new ATOM 382 N THR A 23 -2.007 4.172 -2.430 1.00 65.54 N ATOM 383 CA THR A 23 -2.037 3.512 -3.755 1.00 50.22 C ATOM 384 C THR A 23 -3.450 2.969 -4.087 1.00 42.34 C ATOM 385 O THR A 23 -3.804 2.861 -5.252 1.00 73.40 O ATOM 386 CB THR A 23 -0.967 2.361 -3.868 1.00 54.33 C ATOM 387 OG1 THR A 23 0.285 2.809 -3.341 1.00 64.10 O ATOM 388 CG2 THR A 23 -0.730 1.894 -5.328 1.00 4.30 C ATOM 0 H THR A 23 -1.436 3.688 -1.737 1.00 65.54 H new ATOM 0 HA THR A 23 -1.781 4.277 -4.488 1.00 50.22 H new ATOM 0 HB THR A 23 -1.363 1.519 -3.300 1.00 54.33 H new ATOM 0 HG1 THR A 23 0.228 2.864 -2.364 1.00 64.10 H new ATOM 0 HG21 THR A 23 0.017 1.100 -5.339 1.00 4.30 H new ATOM 0 HG22 THR A 23 -1.664 1.519 -5.746 1.00 4.30 H new ATOM 0 HG23 THR A 23 -0.376 2.734 -5.926 1.00 4.30 H new ATOM 396 N ASN A 24 -4.253 2.666 -3.043 1.00 44.51 N ATOM 397 CA ASN A 24 -5.623 2.124 -3.179 1.00 34.43 C ATOM 398 C ASN A 24 -6.609 3.239 -3.550 1.00 42.23 C ATOM 399 O ASN A 24 -7.397 3.082 -4.490 1.00 23.01 O ATOM 400 CB ASN A 24 -6.092 1.410 -1.868 1.00 22.53 C ATOM 401 CG ASN A 24 -5.480 0.017 -1.618 1.00 31.12 C ATOM 402 OD1 ASN A 24 -4.227 -0.202 -1.981 1.00 35.14 O flip ATOM 403 ND2 ASN A 24 -6.133 -0.855 -1.054 1.00 13.22 N flip ATOM 0 H ASN A 24 -3.965 2.792 -2.073 1.00 44.51 H new ATOM 0 HA ASN A 24 -5.604 1.384 -3.979 1.00 34.43 H new ATOM 0 HB2 ASN A 24 -5.852 2.051 -1.020 1.00 22.53 H new ATOM 0 HB3 ASN A 24 -7.177 1.312 -1.896 1.00 22.53 H new ATOM 0 HD21 ASN A 24 -7.098 -0.672 -0.780 1.00 13.22 H new ATOM 0 HD22 ASN A 24 -5.711 -1.763 -0.859 1.00 13.22 H new ATOM 410 N MET A 25 -6.547 4.369 -2.813 1.00 70.15 N ATOM 411 CA MET A 25 -7.460 5.508 -3.029 1.00 24.35 C ATOM 412 C MET A 25 -7.192 6.161 -4.391 1.00 32.05 C ATOM 413 O MET A 25 -8.134 6.547 -5.096 1.00 51.23 O ATOM 414 CB MET A 25 -7.346 6.552 -1.877 1.00 34.24 C ATOM 415 CG MET A 25 -5.971 7.218 -1.706 1.00 52.25 C ATOM 416 SD MET A 25 -5.858 8.307 -0.264 1.00 75.31 S ATOM 417 CE MET A 25 -6.915 9.675 -0.730 1.00 11.31 C ATOM 0 H MET A 25 -5.872 4.515 -2.062 1.00 70.15 H new ATOM 0 HA MET A 25 -8.481 5.127 -3.026 1.00 24.35 H new ATOM 0 HB2 MET A 25 -8.087 7.333 -2.046 1.00 34.24 H new ATOM 0 HB3 MET A 25 -7.609 6.060 -0.940 1.00 34.24 H new ATOM 0 HG2 MET A 25 -5.210 6.442 -1.624 1.00 52.25 H new ATOM 0 HG3 MET A 25 -5.743 7.794 -2.603 1.00 52.25 H new ATOM 0 HE1 MET A 25 -6.861 10.453 0.032 1.00 11.31 H new ATOM 0 HE2 MET A 25 -6.585 10.080 -1.686 1.00 11.31 H new ATOM 0 HE3 MET A 25 -7.944 9.326 -0.820 1.00 11.31 H new ATOM 427 N GLU A 26 -5.900 6.221 -4.779 1.00 30.44 N ATOM 428 CA GLU A 26 -5.491 6.823 -6.046 1.00 22.24 C ATOM 429 C GLU A 26 -5.725 5.846 -7.201 1.00 61.35 C ATOM 430 O GLU A 26 -5.919 6.273 -8.319 1.00 31.24 O ATOM 431 CB GLU A 26 -4.023 7.310 -5.998 1.00 32.43 C ATOM 432 CG GLU A 26 -2.938 6.228 -6.033 1.00 30.14 C ATOM 433 CD GLU A 26 -1.514 6.798 -5.890 1.00 34.02 C ATOM 434 OE1 GLU A 26 -1.021 7.429 -6.843 1.00 52.12 O ATOM 435 OE2 GLU A 26 -0.891 6.644 -4.818 1.00 50.11 O ATOM 0 H GLU A 26 -5.127 5.855 -4.223 1.00 30.44 H new ATOM 0 HA GLU A 26 -6.109 7.704 -6.218 1.00 22.24 H new ATOM 0 HB2 GLU A 26 -3.860 7.983 -6.840 1.00 32.43 H new ATOM 0 HB3 GLU A 26 -3.889 7.897 -5.090 1.00 32.43 H new ATOM 0 HG2 GLU A 26 -3.120 5.513 -5.230 1.00 30.14 H new ATOM 0 HG3 GLU A 26 -3.011 5.679 -6.972 1.00 30.14 H new ATOM 442 N LEU A 27 -5.723 4.521 -6.912 1.00 24.55 N ATOM 443 CA LEU A 27 -6.140 3.498 -7.890 1.00 62.24 C ATOM 444 C LEU A 27 -7.609 3.739 -8.253 1.00 0.31 C ATOM 445 O LEU A 27 -7.967 3.747 -9.421 1.00 53.04 O ATOM 446 CB LEU A 27 -5.913 2.071 -7.300 1.00 11.21 C ATOM 447 CG LEU A 27 -6.274 0.813 -8.185 1.00 4.00 C ATOM 448 CD1 LEU A 27 -5.519 -0.437 -7.699 1.00 35.35 C ATOM 449 CD2 LEU A 27 -7.799 0.501 -8.221 1.00 33.34 C ATOM 0 H LEU A 27 -5.437 4.141 -6.010 1.00 24.55 H new ATOM 0 HA LEU A 27 -5.541 3.570 -8.798 1.00 62.24 H new ATOM 0 HB2 LEU A 27 -4.861 1.991 -7.027 1.00 11.21 H new ATOM 0 HB3 LEU A 27 -6.488 2.001 -6.377 1.00 11.21 H new ATOM 0 HG LEU A 27 -5.965 1.070 -9.198 1.00 4.00 H new ATOM 0 HD11 LEU A 27 -5.785 -1.289 -8.325 1.00 35.35 H new ATOM 0 HD12 LEU A 27 -4.445 -0.261 -7.763 1.00 35.35 H new ATOM 0 HD13 LEU A 27 -5.791 -0.647 -6.665 1.00 35.35 H new ATOM 0 HD21 LEU A 27 -7.977 -0.374 -8.846 1.00 33.34 H new ATOM 0 HD22 LEU A 27 -8.154 0.303 -7.210 1.00 33.34 H new ATOM 0 HD23 LEU A 27 -8.336 1.356 -8.633 1.00 33.34 H new ATOM 461 N THR A 28 -8.431 3.954 -7.218 1.00 21.33 N ATOM 462 CA THR A 28 -9.881 4.142 -7.349 1.00 24.00 C ATOM 463 C THR A 28 -10.196 5.440 -8.131 1.00 73.43 C ATOM 464 O THR A 28 -11.168 5.501 -8.887 1.00 74.15 O ATOM 465 CB THR A 28 -10.533 4.160 -5.927 1.00 54.31 C ATOM 466 OG1 THR A 28 -10.094 3.002 -5.197 1.00 22.52 O ATOM 467 CG2 THR A 28 -12.071 4.167 -5.969 1.00 64.41 C ATOM 0 H THR A 28 -8.103 4.003 -6.253 1.00 21.33 H new ATOM 0 HA THR A 28 -10.303 3.312 -7.916 1.00 24.00 H new ATOM 0 HB THR A 28 -10.218 5.083 -5.440 1.00 54.31 H new ATOM 0 HG1 THR A 28 -9.170 3.134 -4.899 1.00 22.52 H new ATOM 0 HG21 THR A 28 -12.463 4.179 -4.952 1.00 64.41 H new ATOM 0 HG22 THR A 28 -12.416 5.053 -6.502 1.00 64.41 H new ATOM 0 HG23 THR A 28 -12.425 3.273 -6.483 1.00 64.41 H new ATOM 475 N ASP A 29 -9.330 6.457 -7.950 1.00 63.40 N ATOM 476 CA ASP A 29 -9.404 7.745 -8.674 1.00 54.20 C ATOM 477 C ASP A 29 -9.033 7.573 -10.147 1.00 43.45 C ATOM 478 O ASP A 29 -9.801 7.982 -11.023 1.00 71.32 O ATOM 479 CB ASP A 29 -8.492 8.811 -7.994 1.00 72.21 C ATOM 480 CG ASP A 29 -9.144 9.478 -6.779 1.00 65.15 C ATOM 481 OD1 ASP A 29 -9.046 10.717 -6.639 1.00 45.02 O ATOM 482 OD2 ASP A 29 -9.792 8.776 -5.977 1.00 74.43 O ATOM 0 H ASP A 29 -8.552 6.409 -7.292 1.00 63.40 H new ATOM 0 HA ASP A 29 -10.435 8.097 -8.629 1.00 54.20 H new ATOM 0 HB2 ASP A 29 -7.560 8.338 -7.684 1.00 72.21 H new ATOM 0 HB3 ASP A 29 -8.233 9.577 -8.725 1.00 72.21 H new ATOM 487 N LEU A 30 -7.853 6.956 -10.387 1.00 4.53 N ATOM 488 CA LEU A 30 -7.332 6.638 -11.735 1.00 41.12 C ATOM 489 C LEU A 30 -8.387 5.876 -12.546 1.00 15.12 C ATOM 490 O LEU A 30 -8.683 6.263 -13.642 1.00 40.03 O ATOM 491 CB LEU A 30 -5.993 5.819 -11.643 1.00 30.24 C ATOM 492 CG LEU A 30 -4.647 6.615 -11.740 1.00 72.05 C ATOM 493 CD1 LEU A 30 -4.445 7.206 -13.147 1.00 71.51 C ATOM 494 CD2 LEU A 30 -4.543 7.711 -10.660 1.00 73.23 C ATOM 0 H LEU A 30 -7.227 6.661 -9.637 1.00 4.53 H new ATOM 0 HA LEU A 30 -7.112 7.574 -12.249 1.00 41.12 H new ATOM 0 HB2 LEU A 30 -5.995 5.277 -10.697 1.00 30.24 H new ATOM 0 HB3 LEU A 30 -6.000 5.073 -12.438 1.00 30.24 H new ATOM 0 HG LEU A 30 -3.844 5.902 -11.555 1.00 72.05 H new ATOM 0 HD11 LEU A 30 -3.502 7.752 -13.180 1.00 71.51 H new ATOM 0 HD12 LEU A 30 -4.424 6.400 -13.881 1.00 71.51 H new ATOM 0 HD13 LEU A 30 -5.266 7.885 -13.378 1.00 71.51 H new ATOM 0 HD21 LEU A 30 -3.594 8.237 -10.765 1.00 73.23 H new ATOM 0 HD22 LEU A 30 -5.365 8.418 -10.778 1.00 73.23 H new ATOM 0 HD23 LEU A 30 -4.597 7.254 -9.672 1.00 73.23 H new ATOM 506 N LYS A 31 -8.952 4.833 -11.939 1.00 72.03 N ATOM 507 CA LYS A 31 -10.053 4.002 -12.484 1.00 24.13 C ATOM 508 C LYS A 31 -11.276 4.862 -12.928 1.00 11.40 C ATOM 509 O LYS A 31 -11.724 4.803 -14.099 1.00 61.20 O ATOM 510 CB LYS A 31 -10.424 2.983 -11.350 1.00 62.34 C ATOM 511 CG LYS A 31 -11.815 2.324 -11.401 1.00 62.23 C ATOM 512 CD LYS A 31 -12.028 1.414 -12.631 1.00 33.14 C ATOM 513 CE LYS A 31 -13.372 0.675 -12.583 1.00 21.10 C ATOM 514 NZ LYS A 31 -13.620 -0.097 -13.824 1.00 4.41 N ATOM 0 H LYS A 31 -8.651 4.522 -11.016 1.00 72.03 H new ATOM 0 HA LYS A 31 -9.740 3.482 -13.390 1.00 24.13 H new ATOM 0 HB2 LYS A 31 -9.677 2.189 -11.356 1.00 62.34 H new ATOM 0 HB3 LYS A 31 -10.333 3.499 -10.394 1.00 62.34 H new ATOM 0 HG2 LYS A 31 -11.962 1.735 -10.495 1.00 62.23 H new ATOM 0 HG3 LYS A 31 -12.577 3.104 -11.401 1.00 62.23 H new ATOM 0 HD2 LYS A 31 -11.979 2.016 -13.538 1.00 33.14 H new ATOM 0 HD3 LYS A 31 -11.218 0.687 -12.687 1.00 33.14 H new ATOM 0 HE2 LYS A 31 -13.386 0.001 -11.727 1.00 21.10 H new ATOM 0 HE3 LYS A 31 -14.177 1.394 -12.435 1.00 21.10 H new ATOM 0 HZ1 LYS A 31 -14.537 -0.582 -13.754 1.00 4.41 H new ATOM 0 HZ2 LYS A 31 -13.632 0.550 -14.639 1.00 4.41 H new ATOM 0 HZ3 LYS A 31 -12.865 -0.801 -13.952 1.00 4.41 H new ATOM 528 N LEU A 32 -11.760 5.673 -11.975 1.00 5.02 N ATOM 529 CA LEU A 32 -12.983 6.486 -12.106 1.00 64.41 C ATOM 530 C LEU A 32 -12.910 7.427 -13.323 1.00 63.13 C ATOM 531 O LEU A 32 -13.711 7.312 -14.271 1.00 43.01 O ATOM 532 CB LEU A 32 -13.213 7.245 -10.756 1.00 1.10 C ATOM 533 CG LEU A 32 -14.414 8.271 -10.662 1.00 34.33 C ATOM 534 CD1 LEU A 32 -15.071 8.263 -9.259 1.00 20.24 C ATOM 535 CD2 LEU A 32 -13.958 9.713 -11.003 1.00 43.13 C ATOM 0 H LEU A 32 -11.303 5.786 -11.070 1.00 5.02 H new ATOM 0 HA LEU A 32 -13.843 5.844 -12.296 1.00 64.41 H new ATOM 0 HB2 LEU A 32 -13.354 6.498 -9.975 1.00 1.10 H new ATOM 0 HB3 LEU A 32 -12.296 7.785 -10.519 1.00 1.10 H new ATOM 0 HG LEU A 32 -15.151 7.947 -11.396 1.00 34.33 H new ATOM 0 HD11 LEU A 32 -15.891 8.981 -9.237 1.00 20.24 H new ATOM 0 HD12 LEU A 32 -15.456 7.266 -9.043 1.00 20.24 H new ATOM 0 HD13 LEU A 32 -14.329 8.536 -8.508 1.00 20.24 H new ATOM 0 HD21 LEU A 32 -14.808 10.391 -10.928 1.00 43.13 H new ATOM 0 HD22 LEU A 32 -13.183 10.025 -10.303 1.00 43.13 H new ATOM 0 HD23 LEU A 32 -13.562 9.739 -12.018 1.00 43.13 H new ATOM 547 N GLN A 33 -11.922 8.337 -13.307 1.00 32.44 N ATOM 548 CA GLN A 33 -11.773 9.345 -14.363 1.00 35.53 C ATOM 549 C GLN A 33 -11.270 8.719 -15.683 1.00 34.35 C ATOM 550 O GLN A 33 -11.568 9.251 -16.765 1.00 12.33 O ATOM 551 CB GLN A 33 -10.921 10.565 -13.867 1.00 55.43 C ATOM 552 CG GLN A 33 -9.551 10.270 -13.206 1.00 35.14 C ATOM 553 CD GLN A 33 -8.393 10.064 -14.192 1.00 25.50 C ATOM 554 OE1 GLN A 33 -8.129 8.840 -14.563 1.00 43.22 O flip ATOM 555 NE2 GLN A 33 -7.716 11.011 -14.586 1.00 24.52 N flip ATOM 0 H GLN A 33 -11.216 8.393 -12.573 1.00 32.44 H new ATOM 0 HA GLN A 33 -12.758 9.749 -14.596 1.00 35.53 H new ATOM 0 HB2 GLN A 33 -10.747 11.220 -14.720 1.00 55.43 H new ATOM 0 HB3 GLN A 33 -11.524 11.126 -13.152 1.00 55.43 H new ATOM 0 HG2 GLN A 33 -9.300 11.095 -12.539 1.00 35.14 H new ATOM 0 HG3 GLN A 33 -9.646 9.378 -12.587 1.00 35.14 H new ATOM 0 HE21 GLN A 33 -7.940 11.959 -14.283 1.00 24.52 H new ATOM 0 HE22 GLN A 33 -6.930 10.849 -15.216 1.00 24.52 H new ATOM 564 N LEU A 34 -10.576 7.548 -15.583 1.00 22.34 N ATOM 565 CA LEU A 34 -10.070 6.781 -16.756 1.00 64.32 C ATOM 566 C LEU A 34 -11.208 6.624 -17.747 1.00 74.25 C ATOM 567 O LEU A 34 -11.172 7.242 -18.833 1.00 1.42 O ATOM 568 CB LEU A 34 -9.559 5.362 -16.333 1.00 15.34 C ATOM 569 CG LEU A 34 -8.521 4.619 -17.232 1.00 42.42 C ATOM 570 CD1 LEU A 34 -8.178 3.248 -16.621 1.00 32.24 C ATOM 571 CD2 LEU A 34 -8.971 4.460 -18.695 1.00 60.33 C ATOM 0 H LEU A 34 -10.353 7.112 -14.688 1.00 22.34 H new ATOM 0 HA LEU A 34 -9.234 7.323 -17.198 1.00 64.32 H new ATOM 0 HB2 LEU A 34 -9.122 5.455 -15.339 1.00 15.34 H new ATOM 0 HB3 LEU A 34 -10.431 4.715 -16.239 1.00 15.34 H new ATOM 0 HG LEU A 34 -7.630 5.247 -17.259 1.00 42.42 H new ATOM 0 HD11 LEU A 34 -7.453 2.738 -17.256 1.00 32.24 H new ATOM 0 HD12 LEU A 34 -7.754 3.389 -15.627 1.00 32.24 H new ATOM 0 HD13 LEU A 34 -9.083 2.646 -16.548 1.00 32.24 H new ATOM 0 HD21 LEU A 34 -8.199 3.935 -19.258 1.00 60.33 H new ATOM 0 HD22 LEU A 34 -9.898 3.888 -18.730 1.00 60.33 H new ATOM 0 HD23 LEU A 34 -9.135 5.444 -19.134 1.00 60.33 H new ATOM 774 N PHE B 102 9.523 -15.108 21.464 1.00 33.44 N ATOM 775 CA PHE B 102 9.478 -13.918 20.605 1.00 2.43 C ATOM 776 C PHE B 102 9.718 -14.296 19.129 1.00 12.21 C ATOM 777 O PHE B 102 9.529 -13.465 18.226 1.00 41.33 O ATOM 778 CB PHE B 102 10.563 -12.935 21.065 1.00 65.33 C ATOM 779 CG PHE B 102 10.415 -12.431 22.501 1.00 23.33 C ATOM 780 CD1 PHE B 102 11.141 -13.001 23.551 1.00 74.45 C ATOM 781 CD2 PHE B 102 9.565 -11.371 22.791 1.00 12.24 C ATOM 782 CE1 PHE B 102 11.012 -12.517 24.839 1.00 70.34 C ATOM 783 CE2 PHE B 102 9.436 -10.895 24.071 1.00 31.44 C ATOM 784 CZ PHE B 102 10.158 -11.465 25.099 1.00 1.22 C ATOM 0 HA PHE B 102 8.492 -13.460 20.685 1.00 2.43 H new ATOM 0 HB2 PHE B 102 11.535 -13.418 20.964 1.00 65.33 H new ATOM 0 HB3 PHE B 102 10.562 -12.077 20.393 1.00 65.33 H new ATOM 0 HD1 PHE B 102 11.809 -13.827 23.354 1.00 74.45 H new ATOM 0 HD2 PHE B 102 8.996 -10.914 21.995 1.00 12.24 H new ATOM 0 HE1 PHE B 102 11.580 -12.962 25.642 1.00 70.34 H new ATOM 0 HE2 PHE B 102 8.767 -10.072 24.275 1.00 31.44 H new ATOM 0 HZ PHE B 102 10.055 -11.088 26.106 1.00 1.22 H new ATOM 794 N LYS B 103 10.131 -15.560 18.890 1.00 72.13 N ATOM 795 CA LYS B 103 10.350 -16.079 17.528 1.00 13.13 C ATOM 796 C LYS B 103 9.033 -16.000 16.727 1.00 43.20 C ATOM 797 O LYS B 103 9.020 -15.743 15.515 1.00 62.10 O ATOM 798 CB LYS B 103 10.936 -17.532 17.580 1.00 34.44 C ATOM 799 CG LYS B 103 9.956 -18.730 17.847 1.00 72.15 C ATOM 800 CD LYS B 103 8.998 -18.553 19.065 1.00 62.44 C ATOM 801 CE LYS B 103 8.510 -19.883 19.654 1.00 33.14 C ATOM 802 NZ LYS B 103 9.605 -20.675 20.282 1.00 53.01 N ATOM 0 H LYS B 103 10.319 -16.239 19.627 1.00 72.13 H new ATOM 0 HA LYS B 103 11.088 -15.464 17.013 1.00 13.13 H new ATOM 0 HB2 LYS B 103 11.438 -17.720 16.631 1.00 34.44 H new ATOM 0 HB3 LYS B 103 11.702 -17.552 18.355 1.00 34.44 H new ATOM 0 HG2 LYS B 103 9.353 -18.890 16.953 1.00 72.15 H new ATOM 0 HG3 LYS B 103 10.547 -19.633 17.999 1.00 72.15 H new ATOM 0 HD2 LYS B 103 9.511 -17.986 19.842 1.00 62.44 H new ATOM 0 HD3 LYS B 103 8.135 -17.962 18.757 1.00 62.44 H new ATOM 0 HE2 LYS B 103 7.739 -19.684 20.399 1.00 33.14 H new ATOM 0 HE3 LYS B 103 8.046 -20.475 18.865 1.00 33.14 H new ATOM 0 HZ1 LYS B 103 9.195 -21.423 20.876 1.00 53.01 H new ATOM 0 HZ2 LYS B 103 10.192 -21.105 19.539 1.00 53.01 H new ATOM 0 HZ3 LYS B 103 10.193 -20.050 20.869 1.00 53.01 H new ATOM 816 N LYS B 104 7.917 -16.148 17.479 1.00 44.43 N ATOM 817 CA LYS B 104 6.572 -16.112 16.942 1.00 32.52 C ATOM 818 C LYS B 104 6.161 -14.682 16.603 1.00 65.14 C ATOM 819 O LYS B 104 5.452 -14.497 15.624 1.00 14.01 O ATOM 820 CB LYS B 104 5.583 -16.802 17.926 1.00 21.21 C ATOM 821 CG LYS B 104 5.422 -16.137 19.323 1.00 33.42 C ATOM 822 CD LYS B 104 4.274 -15.091 19.417 1.00 62.14 C ATOM 823 CE LYS B 104 2.908 -15.657 18.985 1.00 64.12 C ATOM 824 NZ LYS B 104 2.491 -16.819 19.817 1.00 1.25 N ATOM 0 H LYS B 104 7.946 -16.297 18.488 1.00 44.43 H new ATOM 0 HA LYS B 104 6.544 -16.673 16.008 1.00 32.52 H new ATOM 0 HB2 LYS B 104 4.602 -16.843 17.452 1.00 21.21 H new ATOM 0 HB3 LYS B 104 5.910 -17.831 18.073 1.00 21.21 H new ATOM 0 HG2 LYS B 104 5.246 -16.917 20.063 1.00 33.42 H new ATOM 0 HG3 LYS B 104 6.361 -15.651 19.589 1.00 33.42 H new ATOM 0 HD2 LYS B 104 4.203 -14.729 20.443 1.00 62.14 H new ATOM 0 HD3 LYS B 104 4.520 -14.233 18.792 1.00 62.14 H new ATOM 0 HE2 LYS B 104 2.154 -14.873 19.055 1.00 64.12 H new ATOM 0 HE3 LYS B 104 2.957 -15.960 17.939 1.00 64.12 H new ATOM 0 HZ1 LYS B 104 1.552 -17.145 19.512 1.00 1.25 H new ATOM 0 HZ2 LYS B 104 3.179 -17.591 19.705 1.00 1.25 H new ATOM 0 HZ3 LYS B 104 2.451 -16.534 20.816 1.00 1.25 H new ATOM 838 N LEU B 105 6.642 -13.662 17.390 1.00 65.14 N ATOM 839 CA LEU B 105 6.333 -12.239 17.100 1.00 44.50 C ATOM 840 C LEU B 105 6.868 -11.914 15.710 1.00 34.22 C ATOM 841 O LEU B 105 6.194 -11.230 14.926 1.00 30.02 O ATOM 842 CB LEU B 105 6.880 -11.225 18.200 1.00 11.25 C ATOM 843 CG LEU B 105 8.356 -10.614 18.076 1.00 4.54 C ATOM 844 CD1 LEU B 105 8.496 -9.507 16.998 1.00 63.32 C ATOM 845 CD2 LEU B 105 8.854 -10.059 19.424 1.00 2.42 C ATOM 0 H LEU B 105 7.231 -13.806 18.210 1.00 65.14 H new ATOM 0 HA LEU B 105 5.251 -12.109 17.131 1.00 44.50 H new ATOM 0 HB2 LEU B 105 6.186 -10.386 18.238 1.00 11.25 H new ATOM 0 HB3 LEU B 105 6.821 -11.732 19.163 1.00 11.25 H new ATOM 0 HG LEU B 105 8.973 -11.456 17.763 1.00 4.54 H new ATOM 0 HD11 LEU B 105 9.524 -9.147 16.978 1.00 63.32 H new ATOM 0 HD12 LEU B 105 8.235 -9.915 16.021 1.00 63.32 H new ATOM 0 HD13 LEU B 105 7.826 -8.680 17.236 1.00 63.32 H new ATOM 0 HD21 LEU B 105 9.858 -9.653 19.302 1.00 2.42 H new ATOM 0 HD22 LEU B 105 8.182 -9.270 19.763 1.00 2.42 H new ATOM 0 HD23 LEU B 105 8.874 -10.861 20.162 1.00 2.42 H new ATOM 857 N TYR B 106 8.098 -12.439 15.422 1.00 53.42 N ATOM 858 CA TYR B 106 8.730 -12.266 14.119 1.00 60.13 C ATOM 859 C TYR B 106 7.830 -12.856 13.036 1.00 70.24 C ATOM 860 O TYR B 106 7.448 -12.156 12.118 1.00 11.21 O ATOM 861 CB TYR B 106 10.152 -12.892 14.053 1.00 45.42 C ATOM 862 CG TYR B 106 10.938 -12.444 12.795 1.00 44.34 C ATOM 863 CD1 TYR B 106 11.177 -13.285 11.708 1.00 40.13 C ATOM 864 CD2 TYR B 106 11.395 -11.131 12.705 1.00 15.14 C ATOM 865 CE1 TYR B 106 11.849 -12.821 10.587 1.00 35.33 C ATOM 866 CE2 TYR B 106 12.061 -10.660 11.604 1.00 54.21 C ATOM 867 CZ TYR B 106 12.286 -11.502 10.544 1.00 54.44 C ATOM 868 OH TYR B 106 12.939 -11.032 9.433 1.00 10.23 O ATOM 0 H TYR B 106 8.652 -12.980 16.086 1.00 53.42 H new ATOM 0 HA TYR B 106 8.858 -11.196 13.952 1.00 60.13 H new ATOM 0 HB2 TYR B 106 10.711 -12.612 14.946 1.00 45.42 H new ATOM 0 HB3 TYR B 106 10.068 -13.979 14.057 1.00 45.42 H new ATOM 0 HD1 TYR B 106 10.835 -14.309 11.740 1.00 40.13 H new ATOM 0 HD2 TYR B 106 11.218 -10.460 13.533 1.00 15.14 H new ATOM 0 HE1 TYR B 106 12.032 -13.481 9.752 1.00 35.33 H new ATOM 0 HE2 TYR B 106 12.405 -9.637 11.571 1.00 54.21 H new ATOM 0 HH TYR B 106 13.175 -10.090 9.566 1.00 10.23 H new ATOM 878 N GLU B 107 7.415 -14.117 13.236 1.00 73.21 N ATOM 879 CA GLU B 107 6.595 -14.866 12.270 1.00 63.43 C ATOM 880 C GLU B 107 5.240 -14.187 11.971 1.00 33.11 C ATOM 881 O GLU B 107 4.833 -14.149 10.820 1.00 31.42 O ATOM 882 CB GLU B 107 6.375 -16.300 12.799 1.00 40.42 C ATOM 883 CG GLU B 107 7.664 -17.138 12.897 1.00 42.25 C ATOM 884 CD GLU B 107 7.446 -18.488 13.592 1.00 1.42 C ATOM 885 OE1 GLU B 107 7.159 -19.486 12.907 1.00 54.10 O ATOM 886 OE2 GLU B 107 7.529 -18.551 14.837 1.00 51.55 O ATOM 0 H GLU B 107 7.640 -14.649 14.077 1.00 73.21 H new ATOM 0 HA GLU B 107 7.138 -14.889 11.325 1.00 63.43 H new ATOM 0 HB2 GLU B 107 5.914 -16.245 13.785 1.00 40.42 H new ATOM 0 HB3 GLU B 107 5.670 -16.813 12.145 1.00 40.42 H new ATOM 0 HG2 GLU B 107 8.057 -17.310 11.895 1.00 42.25 H new ATOM 0 HG3 GLU B 107 8.419 -16.572 13.442 1.00 42.25 H new ATOM 893 N GLN B 108 4.571 -13.642 13.013 1.00 44.04 N ATOM 894 CA GLN B 108 3.225 -13.032 12.876 1.00 72.41 C ATOM 895 C GLN B 108 3.280 -11.745 12.037 1.00 41.14 C ATOM 896 O GLN B 108 2.634 -11.648 10.980 1.00 64.24 O ATOM 897 CB GLN B 108 2.567 -12.728 14.265 1.00 54.01 C ATOM 898 CG GLN B 108 2.464 -13.928 15.242 1.00 32.11 C ATOM 899 CD GLN B 108 2.048 -15.239 14.563 1.00 44.24 C ATOM 900 OE1 GLN B 108 0.866 -15.554 14.444 1.00 32.12 O ATOM 901 NE2 GLN B 108 3.030 -16.002 14.105 1.00 13.20 N ATOM 0 H GLN B 108 4.942 -13.612 13.963 1.00 44.04 H new ATOM 0 HA GLN B 108 2.605 -13.767 12.363 1.00 72.41 H new ATOM 0 HB2 GLN B 108 3.138 -11.937 14.751 1.00 54.01 H new ATOM 0 HB3 GLN B 108 1.564 -12.337 14.093 1.00 54.01 H new ATOM 0 HG2 GLN B 108 3.428 -14.072 15.731 1.00 32.11 H new ATOM 0 HG3 GLN B 108 1.743 -13.689 16.023 1.00 32.11 H new ATOM 0 HE21 GLN B 108 4.000 -15.709 14.221 1.00 13.20 H new ATOM 0 HE22 GLN B 108 2.816 -16.882 13.636 1.00 13.20 H new ATOM 910 N ILE B 109 4.084 -10.772 12.513 1.00 31.45 N ATOM 911 CA ILE B 109 4.142 -9.427 11.915 1.00 2.54 C ATOM 912 C ILE B 109 4.809 -9.476 10.518 1.00 24.32 C ATOM 913 O ILE B 109 4.416 -8.734 9.616 1.00 0.42 O ATOM 914 CB ILE B 109 4.911 -8.396 12.834 1.00 52.01 C ATOM 915 CG1 ILE B 109 4.465 -8.493 14.328 1.00 31.41 C ATOM 916 CG2 ILE B 109 4.701 -6.951 12.320 1.00 15.33 C ATOM 917 CD1 ILE B 109 5.270 -7.612 15.279 1.00 64.43 C ATOM 0 H ILE B 109 4.704 -10.896 13.314 1.00 31.45 H new ATOM 0 HA ILE B 109 3.112 -9.084 11.815 1.00 2.54 H new ATOM 0 HB ILE B 109 5.969 -8.652 12.784 1.00 52.01 H new ATOM 0 HG12 ILE B 109 3.412 -8.219 14.400 1.00 31.41 H new ATOM 0 HG13 ILE B 109 4.547 -9.530 14.654 1.00 31.41 H new ATOM 0 HG21 ILE B 109 5.237 -6.254 12.964 1.00 15.33 H new ATOM 0 HG22 ILE B 109 5.080 -6.868 11.301 1.00 15.33 H new ATOM 0 HG23 ILE B 109 3.638 -6.711 12.332 1.00 15.33 H new ATOM 0 HD11 ILE B 109 4.897 -7.738 16.295 1.00 64.43 H new ATOM 0 HD12 ILE B 109 6.321 -7.899 15.240 1.00 64.43 H new ATOM 0 HD13 ILE B 109 5.168 -6.568 14.982 1.00 64.43 H new ATOM 929 N LEU B 110 5.826 -10.355 10.366 1.00 34.24 N ATOM 930 CA LEU B 110 6.566 -10.547 9.090 1.00 14.11 C ATOM 931 C LEU B 110 5.671 -11.263 8.052 1.00 12.55 C ATOM 932 O LEU B 110 5.775 -10.980 6.858 1.00 13.51 O ATOM 933 CB LEU B 110 7.909 -11.326 9.330 1.00 74.43 C ATOM 934 CG LEU B 110 9.091 -11.153 8.301 1.00 75.41 C ATOM 935 CD1 LEU B 110 8.822 -11.808 6.931 1.00 41.00 C ATOM 936 CD2 LEU B 110 9.479 -9.665 8.146 1.00 43.23 C ATOM 0 H LEU B 110 6.159 -10.953 11.122 1.00 34.24 H new ATOM 0 HA LEU B 110 6.827 -9.568 8.689 1.00 14.11 H new ATOM 0 HB2 LEU B 110 8.284 -11.039 10.312 1.00 74.43 H new ATOM 0 HB3 LEU B 110 7.669 -12.388 9.378 1.00 74.43 H new ATOM 0 HG LEU B 110 9.938 -11.692 8.724 1.00 75.41 H new ATOM 0 HD11 LEU B 110 9.679 -11.648 6.276 1.00 41.00 H new ATOM 0 HD12 LEU B 110 8.663 -12.878 7.064 1.00 41.00 H new ATOM 0 HD13 LEU B 110 7.934 -11.362 6.483 1.00 41.00 H new ATOM 0 HD21 LEU B 110 10.296 -9.575 7.431 1.00 43.23 H new ATOM 0 HD22 LEU B 110 8.619 -9.100 7.787 1.00 43.23 H new ATOM 0 HD23 LEU B 110 9.796 -9.269 9.111 1.00 43.23 H new ATOM 948 N ALA B 111 4.793 -12.186 8.517 1.00 62.05 N ATOM 949 CA ALA B 111 3.800 -12.858 7.639 1.00 33.42 C ATOM 950 C ALA B 111 2.848 -11.821 7.021 1.00 64.31 C ATOM 951 O ALA B 111 2.554 -11.862 5.817 1.00 63.15 O ATOM 952 CB ALA B 111 2.996 -13.919 8.412 1.00 33.31 C ATOM 0 H ALA B 111 4.752 -12.482 9.492 1.00 62.05 H new ATOM 0 HA ALA B 111 4.346 -13.363 6.842 1.00 33.42 H new ATOM 0 HB1 ALA B 111 2.279 -14.392 7.741 1.00 33.31 H new ATOM 0 HB2 ALA B 111 3.676 -14.674 8.807 1.00 33.31 H new ATOM 0 HB3 ALA B 111 2.464 -13.443 9.236 1.00 33.31 H new ATOM 958 N GLU B 112 2.386 -10.884 7.873 1.00 73.31 N ATOM 959 CA GLU B 112 1.522 -9.779 7.451 1.00 51.54 C ATOM 960 C GLU B 112 2.298 -8.824 6.520 1.00 52.43 C ATOM 961 O GLU B 112 1.773 -8.391 5.506 1.00 41.31 O ATOM 962 CB GLU B 112 0.981 -9.015 8.689 1.00 34.03 C ATOM 963 CG GLU B 112 -0.155 -8.004 8.377 1.00 60.41 C ATOM 964 CD GLU B 112 -1.527 -8.677 8.163 1.00 15.11 C ATOM 965 OE1 GLU B 112 -1.736 -9.327 7.123 1.00 73.30 O ATOM 966 OE2 GLU B 112 -2.408 -8.561 9.037 1.00 74.40 O ATOM 0 H GLU B 112 2.604 -10.878 8.869 1.00 73.31 H new ATOM 0 HA GLU B 112 0.673 -10.186 6.901 1.00 51.54 H new ATOM 0 HB2 GLU B 112 0.615 -9.740 9.416 1.00 34.03 H new ATOM 0 HB3 GLU B 112 1.806 -8.481 9.159 1.00 34.03 H new ATOM 0 HG2 GLU B 112 -0.232 -7.290 9.197 1.00 60.41 H new ATOM 0 HG3 GLU B 112 0.107 -7.437 7.484 1.00 60.41 H new ATOM 973 N ASN B 113 3.575 -8.555 6.883 1.00 1.13 N ATOM 974 CA ASN B 113 4.499 -7.665 6.134 1.00 23.24 C ATOM 975 C ASN B 113 4.732 -8.195 4.701 1.00 11.41 C ATOM 976 O ASN B 113 4.771 -7.419 3.746 1.00 75.30 O ATOM 977 CB ASN B 113 5.847 -7.546 6.908 1.00 70.52 C ATOM 978 CG ASN B 113 6.889 -6.640 6.235 1.00 14.04 C ATOM 979 OD1 ASN B 113 7.650 -7.079 5.373 1.00 43.24 O ATOM 980 ND2 ASN B 113 6.943 -5.373 6.634 1.00 32.03 N ATOM 0 H ASN B 113 4.001 -8.956 7.719 1.00 1.13 H new ATOM 0 HA ASN B 113 4.049 -6.676 6.050 1.00 23.24 H new ATOM 0 HB2 ASN B 113 5.644 -7.165 7.909 1.00 70.52 H new ATOM 0 HB3 ASN B 113 6.273 -8.542 7.027 1.00 70.52 H new ATOM 0 HD21 ASN B 113 7.628 -4.738 6.224 1.00 32.03 H new ATOM 0 HD22 ASN B 113 6.300 -5.036 7.350 1.00 32.03 H new ATOM 987 N GLU B 114 4.864 -9.533 4.590 1.00 51.50 N ATOM 988 CA GLU B 114 4.986 -10.257 3.313 1.00 11.30 C ATOM 989 C GLU B 114 3.751 -10.003 2.445 1.00 40.23 C ATOM 990 O GLU B 114 3.866 -9.602 1.278 1.00 2.51 O ATOM 991 CB GLU B 114 5.179 -11.795 3.565 1.00 24.24 C ATOM 992 CG GLU B 114 4.598 -12.708 2.452 1.00 42.21 C ATOM 993 CD GLU B 114 5.001 -14.181 2.572 1.00 54.23 C ATOM 994 OE1 GLU B 114 6.057 -14.565 2.027 1.00 13.50 O ATOM 995 OE2 GLU B 114 4.276 -14.955 3.229 1.00 73.13 O ATOM 0 H GLU B 114 4.889 -10.150 5.402 1.00 51.50 H new ATOM 0 HA GLU B 114 5.865 -9.888 2.785 1.00 11.30 H new ATOM 0 HB2 GLU B 114 6.244 -12.002 3.668 1.00 24.24 H new ATOM 0 HB3 GLU B 114 4.710 -12.057 4.513 1.00 24.24 H new ATOM 0 HG2 GLU B 114 3.510 -12.638 2.472 1.00 42.21 H new ATOM 0 HG3 GLU B 114 4.924 -12.332 1.482 1.00 42.21 H new ATOM 1002 N LYS B 115 2.578 -10.251 3.053 1.00 21.42 N ATOM 1003 CA LYS B 115 1.277 -10.076 2.410 1.00 54.33 C ATOM 1004 C LYS B 115 1.131 -8.637 1.891 1.00 20.52 C ATOM 1005 O LYS B 115 0.609 -8.413 0.806 1.00 70.01 O ATOM 1006 CB LYS B 115 0.135 -10.383 3.417 1.00 50.33 C ATOM 1007 CG LYS B 115 -1.302 -10.295 2.815 1.00 33.41 C ATOM 1008 CD LYS B 115 -2.347 -9.697 3.785 1.00 74.33 C ATOM 1009 CE LYS B 115 -2.079 -8.205 4.098 1.00 42.32 C ATOM 1010 NZ LYS B 115 -3.053 -7.662 5.076 1.00 62.12 N ATOM 0 H LYS B 115 2.513 -10.582 4.016 1.00 21.42 H new ATOM 0 HA LYS B 115 1.210 -10.768 1.571 1.00 54.33 H new ATOM 0 HB2 LYS B 115 0.285 -11.384 3.822 1.00 50.33 H new ATOM 0 HB3 LYS B 115 0.208 -9.687 4.253 1.00 50.33 H new ATOM 0 HG2 LYS B 115 -1.271 -9.688 1.910 1.00 33.41 H new ATOM 0 HG3 LYS B 115 -1.624 -11.293 2.519 1.00 33.41 H new ATOM 0 HD2 LYS B 115 -3.342 -9.801 3.352 1.00 74.33 H new ATOM 0 HD3 LYS B 115 -2.343 -10.266 4.714 1.00 74.33 H new ATOM 0 HE2 LYS B 115 -1.069 -8.092 4.491 1.00 42.32 H new ATOM 0 HE3 LYS B 115 -2.129 -7.626 3.176 1.00 42.32 H new ATOM 0 HZ1 LYS B 115 -2.938 -6.631 5.144 1.00 62.12 H new ATOM 0 HZ2 LYS B 115 -4.020 -7.882 4.762 1.00 62.12 H new ATOM 0 HZ3 LYS B 115 -2.885 -8.092 6.008 1.00 62.12 H new ATOM 1024 N LEU B 116 1.636 -7.680 2.697 1.00 44.13 N ATOM 1025 CA LEU B 116 1.599 -6.246 2.397 1.00 34.43 C ATOM 1026 C LEU B 116 2.485 -5.889 1.191 1.00 73.01 C ATOM 1027 O LEU B 116 2.142 -5.001 0.421 1.00 21.12 O ATOM 1028 CB LEU B 116 2.006 -5.431 3.643 1.00 40.55 C ATOM 1029 CG LEU B 116 0.999 -5.477 4.830 1.00 12.34 C ATOM 1030 CD1 LEU B 116 1.594 -4.851 6.099 1.00 1.15 C ATOM 1031 CD2 LEU B 116 -0.330 -4.802 4.452 1.00 11.23 C ATOM 0 H LEU B 116 2.087 -7.892 3.587 1.00 44.13 H new ATOM 0 HA LEU B 116 0.575 -5.987 2.127 1.00 34.43 H new ATOM 0 HB2 LEU B 116 2.972 -5.794 3.994 1.00 40.55 H new ATOM 0 HB3 LEU B 116 2.145 -4.391 3.347 1.00 40.55 H new ATOM 0 HG LEU B 116 0.796 -6.526 5.047 1.00 12.34 H new ATOM 0 HD11 LEU B 116 0.863 -4.901 6.906 1.00 1.15 H new ATOM 0 HD12 LEU B 116 2.492 -5.398 6.388 1.00 1.15 H new ATOM 0 HD13 LEU B 116 1.850 -3.809 5.905 1.00 1.15 H new ATOM 0 HD21 LEU B 116 -1.015 -4.848 5.298 1.00 11.23 H new ATOM 0 HD22 LEU B 116 -0.147 -3.760 4.189 1.00 11.23 H new ATOM 0 HD23 LEU B 116 -0.771 -5.319 3.600 1.00 11.23 H new ATOM 1043 N LYS B 117 3.610 -6.588 1.031 1.00 33.01 N ATOM 1044 CA LYS B 117 4.505 -6.379 -0.124 1.00 22.22 C ATOM 1045 C LYS B 117 3.883 -6.949 -1.413 1.00 34.51 C ATOM 1046 O LYS B 117 4.054 -6.385 -2.501 1.00 11.34 O ATOM 1047 CB LYS B 117 5.898 -6.993 0.133 1.00 75.52 C ATOM 1048 CG LYS B 117 6.697 -6.318 1.277 1.00 53.44 C ATOM 1049 CD LYS B 117 8.098 -6.944 1.458 1.00 71.45 C ATOM 1050 CE LYS B 117 8.039 -8.444 1.780 1.00 52.53 C ATOM 1051 NZ LYS B 117 9.381 -9.062 1.772 1.00 43.32 N ATOM 0 H LYS B 117 3.929 -7.305 1.683 1.00 33.01 H new ATOM 0 HA LYS B 117 4.632 -5.305 -0.257 1.00 22.22 H new ATOM 0 HB2 LYS B 117 5.777 -8.051 0.366 1.00 75.52 H new ATOM 0 HB3 LYS B 117 6.482 -6.934 -0.785 1.00 75.52 H new ATOM 0 HG2 LYS B 117 6.801 -5.254 1.067 1.00 53.44 H new ATOM 0 HG3 LYS B 117 6.138 -6.406 2.209 1.00 53.44 H new ATOM 0 HD2 LYS B 117 8.679 -6.794 0.548 1.00 71.45 H new ATOM 0 HD3 LYS B 117 8.623 -6.425 2.260 1.00 71.45 H new ATOM 0 HE2 LYS B 117 7.579 -8.588 2.758 1.00 52.53 H new ATOM 0 HE3 LYS B 117 7.403 -8.947 1.051 1.00 52.53 H new ATOM 0 HZ1 LYS B 117 9.298 -10.075 1.994 1.00 43.32 H new ATOM 0 HZ2 LYS B 117 9.810 -8.948 0.832 1.00 43.32 H new ATOM 0 HZ3 LYS B 117 9.980 -8.599 2.485 1.00 43.32 H new ATOM 1065 N ALA B 118 3.137 -8.053 -1.259 1.00 44.34 N ATOM 1066 CA ALA B 118 2.499 -8.759 -2.375 1.00 54.02 C ATOM 1067 C ALA B 118 1.299 -7.965 -2.912 1.00 43.00 C ATOM 1068 O ALA B 118 1.175 -7.741 -4.120 1.00 12.25 O ATOM 1069 CB ALA B 118 2.080 -10.163 -1.917 1.00 11.13 C ATOM 0 H ALA B 118 2.960 -8.482 -0.351 1.00 44.34 H new ATOM 0 HA ALA B 118 3.213 -8.856 -3.193 1.00 54.02 H new ATOM 0 HB1 ALA B 118 1.606 -10.689 -2.745 1.00 11.13 H new ATOM 0 HB2 ALA B 118 2.960 -10.717 -1.591 1.00 11.13 H new ATOM 0 HB3 ALA B 118 1.376 -10.081 -1.089 1.00 11.13 H new ATOM 1075 N GLN B 119 0.437 -7.509 -1.986 1.00 32.14 N ATOM 1076 CA GLN B 119 -0.770 -6.749 -2.320 1.00 23.12 C ATOM 1077 C GLN B 119 -0.411 -5.382 -2.911 1.00 23.13 C ATOM 1078 O GLN B 119 -1.090 -4.920 -3.819 1.00 44.03 O ATOM 1079 CB GLN B 119 -1.699 -6.603 -1.070 1.00 61.44 C ATOM 1080 CG GLN B 119 -1.086 -5.833 0.128 1.00 2.10 C ATOM 1081 CD GLN B 119 -1.220 -4.307 0.085 1.00 73.41 C ATOM 1082 OE1 GLN B 119 -2.169 -3.758 -0.481 1.00 44.42 O ATOM 1083 NE2 GLN B 119 -0.237 -3.610 0.636 1.00 3.11 N ATOM 0 H GLN B 119 0.562 -7.660 -0.985 1.00 32.14 H new ATOM 0 HA GLN B 119 -1.321 -7.303 -3.080 1.00 23.12 H new ATOM 0 HB2 GLN B 119 -2.614 -6.096 -1.376 1.00 61.44 H new ATOM 0 HB3 GLN B 119 -1.984 -7.599 -0.732 1.00 61.44 H new ATOM 0 HG2 GLN B 119 -1.554 -6.193 1.044 1.00 2.10 H new ATOM 0 HG3 GLN B 119 -0.027 -6.083 0.192 1.00 2.10 H new ATOM 0 HE21 GLN B 119 0.534 -4.093 1.097 1.00 3.11 H new ATOM 0 HE22 GLN B 119 -0.252 -2.591 0.599 1.00 3.11 H new ATOM 1092 N LEU B 120 0.659 -4.724 -2.369 1.00 14.44 N ATOM 1093 CA LEU B 120 1.094 -3.409 -2.862 1.00 70.14 C ATOM 1094 C LEU B 120 1.621 -3.554 -4.288 1.00 11.31 C ATOM 1095 O LEU B 120 1.329 -2.716 -5.112 1.00 42.15 O ATOM 1096 CB LEU B 120 2.128 -2.704 -1.909 1.00 44.01 C ATOM 1097 CG LEU B 120 3.661 -3.108 -1.954 1.00 51.33 C ATOM 1098 CD1 LEU B 120 4.452 -2.409 -3.094 1.00 13.41 C ATOM 1099 CD2 LEU B 120 4.345 -2.816 -0.609 1.00 24.31 C ATOM 0 H LEU B 120 1.220 -5.090 -1.600 1.00 14.44 H new ATOM 0 HA LEU B 120 0.229 -2.746 -2.871 1.00 70.14 H new ATOM 0 HB2 LEU B 120 2.070 -1.633 -2.106 1.00 44.01 H new ATOM 0 HB3 LEU B 120 1.783 -2.859 -0.887 1.00 44.01 H new ATOM 0 HG LEU B 120 3.676 -4.179 -2.157 1.00 51.33 H new ATOM 0 HD11 LEU B 120 5.493 -2.731 -3.065 1.00 13.41 H new ATOM 0 HD12 LEU B 120 4.016 -2.676 -4.056 1.00 13.41 H new ATOM 0 HD13 LEU B 120 4.403 -1.328 -2.961 1.00 13.41 H new ATOM 0 HD21 LEU B 120 5.395 -3.102 -0.665 1.00 24.31 H new ATOM 0 HD22 LEU B 120 4.270 -1.752 -0.386 1.00 24.31 H new ATOM 0 HD23 LEU B 120 3.855 -3.387 0.180 1.00 24.31 H new ATOM 1111 N HIS B 121 2.381 -4.649 -4.553 1.00 50.24 N ATOM 1112 CA HIS B 121 2.906 -4.987 -5.898 1.00 25.34 C ATOM 1113 C HIS B 121 1.770 -5.016 -6.929 1.00 11.43 C ATOM 1114 O HIS B 121 1.886 -4.432 -8.013 1.00 40.10 O ATOM 1115 CB HIS B 121 3.638 -6.362 -5.852 1.00 13.41 C ATOM 1116 CG HIS B 121 3.872 -7.006 -7.201 1.00 43.22 C ATOM 1117 ND1 HIS B 121 2.993 -7.915 -7.750 1.00 60.41 N ATOM 1118 CD2 HIS B 121 4.865 -6.862 -8.108 1.00 72.42 C ATOM 1119 CE1 HIS B 121 3.429 -8.293 -8.929 1.00 2.30 C ATOM 1120 NE2 HIS B 121 4.564 -7.664 -9.174 1.00 44.12 N ATOM 0 H HIS B 121 2.646 -5.323 -3.835 1.00 50.24 H new ATOM 0 HA HIS B 121 3.618 -4.219 -6.200 1.00 25.34 H new ATOM 0 HB2 HIS B 121 4.600 -6.228 -5.358 1.00 13.41 H new ATOM 0 HB3 HIS B 121 3.056 -7.047 -5.235 1.00 13.41 H new ATOM 0 HD1 HIS B 121 2.135 -8.244 -7.308 1.00 60.41 H new ATOM 0 HD2 HIS B 121 5.735 -6.230 -8.009 1.00 72.42 H new ATOM 0 HE1 HIS B 121 2.942 -8.998 -9.587 1.00 2.30 H new ATOM 1129 N ASP B 122 0.682 -5.707 -6.560 1.00 63.24 N ATOM 1130 CA ASP B 122 -0.526 -5.813 -7.383 1.00 60.12 C ATOM 1131 C ASP B 122 -1.177 -4.442 -7.580 1.00 41.51 C ATOM 1132 O ASP B 122 -1.381 -4.023 -8.704 1.00 14.41 O ATOM 1133 CB ASP B 122 -1.521 -6.814 -6.751 1.00 60.51 C ATOM 1134 CG ASP B 122 -1.093 -8.286 -6.911 1.00 3.33 C ATOM 1135 OD1 ASP B 122 -1.954 -9.137 -7.234 1.00 45.41 O ATOM 1136 OD2 ASP B 122 0.109 -8.598 -6.740 1.00 64.33 O ATOM 0 H ASP B 122 0.618 -6.211 -5.675 1.00 63.24 H new ATOM 0 HA ASP B 122 -0.240 -6.188 -8.366 1.00 60.12 H new ATOM 0 HB2 ASP B 122 -1.628 -6.588 -5.690 1.00 60.51 H new ATOM 0 HB3 ASP B 122 -2.502 -6.677 -7.207 1.00 60.51 H new ATOM 1141 N THR B 123 -1.435 -3.730 -6.473 1.00 31.24 N ATOM 1142 CA THR B 123 -2.065 -2.394 -6.492 1.00 13.23 C ATOM 1143 C THR B 123 -1.196 -1.357 -7.264 1.00 13.24 C ATOM 1144 O THR B 123 -1.722 -0.398 -7.836 1.00 25.21 O ATOM 1145 CB THR B 123 -2.339 -1.904 -5.025 1.00 64.34 C ATOM 1146 OG1 THR B 123 -3.016 -2.938 -4.292 1.00 74.21 O ATOM 1147 CG2 THR B 123 -3.205 -0.639 -4.974 1.00 21.23 C ATOM 0 H THR B 123 -1.213 -4.062 -5.535 1.00 31.24 H new ATOM 0 HA THR B 123 -3.014 -2.480 -7.021 1.00 13.23 H new ATOM 0 HB THR B 123 -1.369 -1.671 -4.585 1.00 64.34 H new ATOM 0 HG1 THR B 123 -2.372 -3.628 -4.028 1.00 74.21 H new ATOM 0 HG21 THR B 123 -3.361 -0.347 -3.936 1.00 21.23 H new ATOM 0 HG22 THR B 123 -2.702 0.168 -5.506 1.00 21.23 H new ATOM 0 HG23 THR B 123 -4.168 -0.838 -5.444 1.00 21.23 H new ATOM 1155 N ASN B 124 0.136 -1.593 -7.290 1.00 50.34 N ATOM 1156 CA ASN B 124 1.112 -0.747 -8.001 1.00 31.30 C ATOM 1157 C ASN B 124 1.008 -0.977 -9.505 1.00 51.33 C ATOM 1158 O ASN B 124 0.935 -0.015 -10.268 1.00 4.24 O ATOM 1159 CB ASN B 124 2.573 -1.022 -7.518 1.00 54.12 C ATOM 1160 CG ASN B 124 2.982 -0.322 -6.210 1.00 52.53 C ATOM 1161 OD1 ASN B 124 2.054 -0.092 -5.290 1.00 74.30 O flip ATOM 1162 ND2 ASN B 124 4.148 0.008 -6.029 1.00 44.24 N flip ATOM 0 H ASN B 124 0.564 -2.386 -6.812 1.00 50.34 H new ATOM 0 HA ASN B 124 0.876 0.293 -7.776 1.00 31.30 H new ATOM 0 HB2 ASN B 124 2.698 -2.097 -7.389 1.00 54.12 H new ATOM 0 HB3 ASN B 124 3.261 -0.714 -8.305 1.00 54.12 H new ATOM 0 HD21 ASN B 124 4.848 -0.177 -6.748 1.00 44.24 H new ATOM 0 HD22 ASN B 124 4.419 0.468 -5.160 1.00 44.24 H new ATOM 1169 N MET B 125 0.997 -2.261 -9.930 1.00 74.54 N ATOM 1170 CA MET B 125 0.926 -2.608 -11.362 1.00 52.03 C ATOM 1171 C MET B 125 -0.459 -2.284 -11.941 1.00 55.34 C ATOM 1172 O MET B 125 -0.568 -2.007 -13.131 1.00 42.43 O ATOM 1173 CB MET B 125 1.316 -4.088 -11.629 1.00 43.45 C ATOM 1174 CG MET B 125 0.431 -5.152 -10.966 1.00 61.42 C ATOM 1175 SD MET B 125 0.997 -6.841 -11.275 1.00 62.53 S ATOM 1176 CE MET B 125 0.804 -6.988 -13.053 1.00 63.43 C ATOM 0 H MET B 125 1.036 -3.066 -9.305 1.00 74.54 H new ATOM 0 HA MET B 125 1.662 -1.990 -11.877 1.00 52.03 H new ATOM 0 HB2 MET B 125 1.305 -4.256 -12.706 1.00 43.45 H new ATOM 0 HB3 MET B 125 2.342 -4.238 -11.293 1.00 43.45 H new ATOM 0 HG2 MET B 125 0.405 -4.975 -9.891 1.00 61.42 H new ATOM 0 HG3 MET B 125 -0.590 -5.045 -11.331 1.00 61.42 H new ATOM 0 HE1 MET B 125 0.893 -8.035 -13.343 1.00 63.43 H new ATOM 0 HE2 MET B 125 -0.177 -6.613 -13.345 1.00 63.43 H new ATOM 0 HE3 MET B 125 1.578 -6.406 -13.552 1.00 63.43 H new ATOM 1186 N GLU B 126 -1.509 -2.308 -11.088 1.00 72.03 N ATOM 1187 CA GLU B 126 -2.850 -1.836 -11.464 1.00 1.55 C ATOM 1188 C GLU B 126 -2.797 -0.333 -11.720 1.00 14.43 C ATOM 1189 O GLU B 126 -3.213 0.115 -12.770 1.00 14.43 O ATOM 1190 CB GLU B 126 -3.893 -2.144 -10.360 1.00 1.40 C ATOM 1191 CG GLU B 126 -4.104 -3.637 -10.038 1.00 74.22 C ATOM 1192 CD GLU B 126 -4.875 -4.421 -11.121 1.00 75.41 C ATOM 1193 OE1 GLU B 126 -6.064 -4.744 -10.917 1.00 52.44 O ATOM 1194 OE2 GLU B 126 -4.298 -4.713 -12.190 1.00 52.23 O ATOM 0 H GLU B 126 -1.446 -2.653 -10.130 1.00 72.03 H new ATOM 0 HA GLU B 126 -3.159 -2.362 -12.368 1.00 1.55 H new ATOM 0 HB2 GLU B 126 -3.589 -1.633 -9.446 1.00 1.40 H new ATOM 0 HB3 GLU B 126 -4.850 -1.717 -10.661 1.00 1.40 H new ATOM 0 HG2 GLU B 126 -3.131 -4.105 -9.892 1.00 74.22 H new ATOM 0 HG3 GLU B 126 -4.643 -3.720 -9.094 1.00 74.22 H new ATOM 1201 N LEU B 127 -2.219 0.417 -10.758 1.00 50.42 N ATOM 1202 CA LEU B 127 -2.053 1.887 -10.842 1.00 63.40 C ATOM 1203 C LEU B 127 -1.268 2.296 -12.119 1.00 21.05 C ATOM 1204 O LEU B 127 -1.615 3.285 -12.786 1.00 44.41 O ATOM 1205 CB LEU B 127 -1.317 2.391 -9.572 1.00 34.34 C ATOM 1206 CG LEU B 127 -1.106 3.933 -9.457 1.00 40.44 C ATOM 1207 CD1 LEU B 127 -2.454 4.676 -9.387 1.00 4.13 C ATOM 1208 CD2 LEU B 127 -0.205 4.284 -8.255 1.00 4.02 C ATOM 0 H LEU B 127 -1.851 0.018 -9.894 1.00 50.42 H new ATOM 0 HA LEU B 127 -3.040 2.347 -10.902 1.00 63.40 H new ATOM 0 HB2 LEU B 127 -1.876 2.057 -8.698 1.00 34.34 H new ATOM 0 HB3 LEU B 127 -0.340 1.909 -9.529 1.00 34.34 H new ATOM 0 HG LEU B 127 -0.594 4.267 -10.359 1.00 40.44 H new ATOM 0 HD11 LEU B 127 -2.275 5.748 -9.307 1.00 4.13 H new ATOM 0 HD12 LEU B 127 -3.030 4.470 -10.289 1.00 4.13 H new ATOM 0 HD13 LEU B 127 -3.012 4.336 -8.515 1.00 4.13 H new ATOM 0 HD21 LEU B 127 -0.076 5.365 -8.200 1.00 4.02 H new ATOM 0 HD22 LEU B 127 -0.669 3.927 -7.336 1.00 4.02 H new ATOM 0 HD23 LEU B 127 0.768 3.808 -8.378 1.00 4.02 H new ATOM 1220 N THR B 128 -0.239 1.486 -12.459 1.00 62.03 N ATOM 1221 CA THR B 128 0.604 1.683 -13.648 1.00 13.50 C ATOM 1222 C THR B 128 -0.192 1.355 -14.931 1.00 24.54 C ATOM 1223 O THR B 128 -0.033 2.013 -15.956 1.00 52.44 O ATOM 1224 CB THR B 128 1.888 0.782 -13.586 1.00 71.14 C ATOM 1225 OG1 THR B 128 2.532 0.937 -12.318 1.00 5.21 O ATOM 1226 CG2 THR B 128 2.894 1.117 -14.705 1.00 53.41 C ATOM 0 H THR B 128 0.027 0.671 -11.906 1.00 62.03 H new ATOM 0 HA THR B 128 0.911 2.729 -13.668 1.00 13.50 H new ATOM 0 HB THR B 128 1.562 -0.249 -13.725 1.00 71.14 H new ATOM 0 HG1 THR B 128 1.968 0.552 -11.615 1.00 5.21 H new ATOM 0 HG21 THR B 128 3.764 0.467 -14.618 1.00 53.41 H new ATOM 0 HG22 THR B 128 2.422 0.965 -15.676 1.00 53.41 H new ATOM 0 HG23 THR B 128 3.208 2.157 -14.613 1.00 53.41 H new ATOM 1234 N ASP B 129 -1.060 0.328 -14.834 1.00 43.20 N ATOM 1235 CA ASP B 129 -1.904 -0.148 -15.949 1.00 71.32 C ATOM 1236 C ASP B 129 -3.058 0.840 -16.216 1.00 23.40 C ATOM 1237 O ASP B 129 -3.503 0.987 -17.356 1.00 73.13 O ATOM 1238 CB ASP B 129 -2.452 -1.567 -15.619 1.00 13.53 C ATOM 1239 CG ASP B 129 -3.155 -2.251 -16.800 1.00 10.12 C ATOM 1240 OD1 ASP B 129 -4.404 -2.175 -16.907 1.00 41.32 O ATOM 1241 OD2 ASP B 129 -2.452 -2.861 -17.636 1.00 41.13 O ATOM 0 H ASP B 129 -1.196 -0.199 -13.972 1.00 43.20 H new ATOM 0 HA ASP B 129 -1.300 -0.206 -16.855 1.00 71.32 H new ATOM 0 HB2 ASP B 129 -1.627 -2.196 -15.286 1.00 13.53 H new ATOM 0 HB3 ASP B 129 -3.151 -1.491 -14.786 1.00 13.53 H new ATOM 1246 N LEU B 130 -3.506 1.536 -15.148 1.00 60.42 N ATOM 1247 CA LEU B 130 -4.583 2.530 -15.223 1.00 61.45 C ATOM 1248 C LEU B 130 -4.081 3.777 -15.935 1.00 33.03 C ATOM 1249 O LEU B 130 -4.701 4.219 -16.896 1.00 74.21 O ATOM 1250 CB LEU B 130 -5.114 2.892 -13.814 1.00 35.43 C ATOM 1251 CG LEU B 130 -5.816 1.742 -13.034 1.00 31.40 C ATOM 1252 CD1 LEU B 130 -6.232 2.196 -11.635 1.00 1.33 C ATOM 1253 CD2 LEU B 130 -7.013 1.162 -13.814 1.00 21.43 C ATOM 0 H LEU B 130 -3.125 1.419 -14.209 1.00 60.42 H new ATOM 0 HA LEU B 130 -5.409 2.099 -15.788 1.00 61.45 H new ATOM 0 HB2 LEU B 130 -4.279 3.254 -13.214 1.00 35.43 H new ATOM 0 HB3 LEU B 130 -5.817 3.719 -13.914 1.00 35.43 H new ATOM 0 HG LEU B 130 -5.088 0.938 -12.922 1.00 31.40 H new ATOM 0 HD11 LEU B 130 -6.719 1.371 -11.115 1.00 1.33 H new ATOM 0 HD12 LEU B 130 -5.349 2.507 -11.076 1.00 1.33 H new ATOM 0 HD13 LEU B 130 -6.924 3.034 -11.715 1.00 1.33 H new ATOM 0 HD21 LEU B 130 -7.473 0.363 -13.233 1.00 21.43 H new ATOM 0 HD22 LEU B 130 -7.746 1.949 -13.993 1.00 21.43 H new ATOM 0 HD23 LEU B 130 -6.667 0.764 -14.768 1.00 21.43 H new ATOM 1265 N LYS B 131 -2.919 4.312 -15.478 1.00 53.14 N ATOM 1266 CA LYS B 131 -2.297 5.506 -16.084 1.00 63.30 C ATOM 1267 C LYS B 131 -1.860 5.192 -17.537 1.00 63.23 C ATOM 1268 O LYS B 131 -1.839 6.078 -18.402 1.00 14.14 O ATOM 1269 CB LYS B 131 -1.120 6.034 -15.187 1.00 31.03 C ATOM 1270 CG LYS B 131 0.183 5.178 -15.171 1.00 33.30 C ATOM 1271 CD LYS B 131 1.186 5.546 -16.316 1.00 42.03 C ATOM 1272 CE LYS B 131 2.240 4.465 -16.579 1.00 55.31 C ATOM 1273 NZ LYS B 131 3.158 4.852 -17.678 1.00 32.50 N ATOM 0 H LYS B 131 -2.397 3.930 -14.689 1.00 53.14 H new ATOM 0 HA LYS B 131 -3.027 6.314 -16.136 1.00 63.30 H new ATOM 0 HB2 LYS B 131 -0.863 7.040 -15.519 1.00 31.03 H new ATOM 0 HB3 LYS B 131 -1.484 6.120 -14.163 1.00 31.03 H new ATOM 0 HG2 LYS B 131 0.680 5.305 -14.209 1.00 33.30 H new ATOM 0 HG3 LYS B 131 -0.083 4.124 -15.256 1.00 33.30 H new ATOM 0 HD2 LYS B 131 0.626 5.727 -17.234 1.00 42.03 H new ATOM 0 HD3 LYS B 131 1.690 6.478 -16.061 1.00 42.03 H new ATOM 0 HE2 LYS B 131 2.815 4.288 -15.670 1.00 55.31 H new ATOM 0 HE3 LYS B 131 1.745 3.527 -16.831 1.00 55.31 H new ATOM 0 HZ1 LYS B 131 3.858 4.097 -17.828 1.00 32.50 H new ATOM 0 HZ2 LYS B 131 2.612 4.997 -18.551 1.00 32.50 H new ATOM 0 HZ3 LYS B 131 3.649 5.734 -17.426 1.00 32.50 H new ATOM 1287 N LEU B 132 -1.518 3.900 -17.782 1.00 24.12 N ATOM 1288 CA LEU B 132 -1.218 3.380 -19.124 1.00 40.10 C ATOM 1289 C LEU B 132 -2.481 3.436 -20.003 1.00 20.22 C ATOM 1290 O LEU B 132 -2.409 3.728 -21.191 1.00 73.20 O ATOM 1291 CB LEU B 132 -0.694 1.926 -19.044 1.00 44.24 C ATOM 1292 CG LEU B 132 -0.246 1.291 -20.400 1.00 71.23 C ATOM 1293 CD1 LEU B 132 1.035 1.951 -20.947 1.00 14.43 C ATOM 1294 CD2 LEU B 132 -0.084 -0.234 -20.291 1.00 64.20 C ATOM 0 H LEU B 132 -1.445 3.196 -17.047 1.00 24.12 H new ATOM 0 HA LEU B 132 -0.442 4.002 -19.570 1.00 40.10 H new ATOM 0 HB2 LEU B 132 0.151 1.901 -18.356 1.00 44.24 H new ATOM 0 HB3 LEU B 132 -1.476 1.301 -18.612 1.00 44.24 H new ATOM 0 HG LEU B 132 -1.044 1.484 -21.117 1.00 71.23 H new ATOM 0 HD11 LEU B 132 1.312 1.481 -21.890 1.00 14.43 H new ATOM 0 HD12 LEU B 132 0.856 3.014 -21.110 1.00 14.43 H new ATOM 0 HD13 LEU B 132 1.844 1.826 -20.228 1.00 14.43 H new ATOM 0 HD21 LEU B 132 0.228 -0.637 -21.255 1.00 64.20 H new ATOM 0 HD22 LEU B 132 0.670 -0.467 -19.539 1.00 64.20 H new ATOM 0 HD23 LEU B 132 -1.035 -0.681 -20.002 1.00 64.20 H new ATOM 1306 N GLN B 133 -3.639 3.157 -19.400 1.00 11.33 N ATOM 1307 CA GLN B 133 -4.934 3.221 -20.086 1.00 0.51 C ATOM 1308 C GLN B 133 -5.453 4.676 -20.210 1.00 51.11 C ATOM 1309 O GLN B 133 -6.361 4.921 -20.997 1.00 12.13 O ATOM 1310 CB GLN B 133 -5.955 2.302 -19.378 1.00 23.41 C ATOM 1311 CG GLN B 133 -5.756 0.798 -19.646 1.00 65.20 C ATOM 1312 CD GLN B 133 -6.655 -0.119 -18.806 1.00 10.25 C ATOM 1313 OE1 GLN B 133 -6.873 0.218 -17.536 1.00 0.14 O flip ATOM 1314 NE2 GLN B 133 -7.107 -1.163 -19.282 1.00 52.41 N flip ATOM 0 H GLN B 133 -3.706 2.880 -18.421 1.00 11.33 H new ATOM 0 HA GLN B 133 -4.798 2.859 -21.105 1.00 0.51 H new ATOM 0 HB2 GLN B 133 -5.898 2.477 -18.304 1.00 23.41 H new ATOM 0 HB3 GLN B 133 -6.959 2.585 -19.694 1.00 23.41 H new ATOM 0 HG2 GLN B 133 -5.942 0.602 -20.702 1.00 65.20 H new ATOM 0 HG3 GLN B 133 -4.714 0.542 -19.453 1.00 65.20 H new ATOM 0 HE21 GLN B 133 -6.926 -1.399 -20.258 1.00 52.41 H new ATOM 0 HE22 GLN B 133 -7.662 -1.791 -18.700 1.00 52.41 H new ATOM 1323 N LEU B 134 -4.882 5.624 -19.425 1.00 61.11 N ATOM 1324 CA LEU B 134 -5.118 7.081 -19.628 1.00 52.13 C ATOM 1325 C LEU B 134 -4.427 7.543 -20.923 1.00 5.41 C ATOM 1326 O LEU B 134 -4.997 8.315 -21.716 1.00 71.30 O ATOM 1327 CB LEU B 134 -4.614 7.947 -18.420 1.00 73.45 C ATOM 1328 CG LEU B 134 -5.618 8.227 -17.258 1.00 0.32 C ATOM 1329 CD1 LEU B 134 -6.937 8.825 -17.779 1.00 44.35 C ATOM 1330 CD2 LEU B 134 -5.876 6.992 -16.393 1.00 13.43 C ATOM 0 H LEU B 134 -4.257 5.410 -18.648 1.00 61.11 H new ATOM 0 HA LEU B 134 -6.196 7.227 -19.703 1.00 52.13 H new ATOM 0 HB2 LEU B 134 -3.739 7.454 -17.996 1.00 73.45 H new ATOM 0 HB3 LEU B 134 -4.279 8.907 -18.812 1.00 73.45 H new ATOM 0 HG LEU B 134 -5.143 8.969 -16.616 1.00 0.32 H new ATOM 0 HD11 LEU B 134 -7.610 9.006 -16.941 1.00 44.35 H new ATOM 0 HD12 LEU B 134 -6.733 9.766 -18.291 1.00 44.35 H new ATOM 0 HD13 LEU B 134 -7.403 8.127 -18.475 1.00 44.35 H new ATOM 0 HD21 LEU B 134 -6.581 7.244 -15.601 1.00 13.43 H new ATOM 0 HD22 LEU B 134 -6.293 6.196 -17.010 1.00 13.43 H new ATOM 0 HD23 LEU B 134 -4.938 6.655 -15.951 1.00 13.43 H new