USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot 180:sc= 0.0233 USER MOD Set 1.2: A 25 ASN : amide:sc= -0.0212 X(o=0.002,f=-0.17) USER MOD Set 2.1: A 6 LYS NZ :NH3+ -165:sc= 0.773 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 0.698 USER MOD Single : A 1 MET CE :methyl 149:sc= -0.023 (180deg=-0.634) USER MOD Single : A 1 MET N :NH3+ -171:sc= 1.23 (180deg=1.17) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.94 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 143:sc= 1.22 (180deg=-0.24!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0202 USER MOD Single : A 27 LYS NZ :NH3+ -143:sc= 1.22 (180deg=-0.124!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.409 X(o=-0.41,f=-0.41) USER MOD Single : A 33 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00584) USER MOD Single : A 40 GLN : amide:sc= -0.0304 K(o=-0.03,f=-1.8!) USER MOD Single : A 41 GLN : amide:sc= -0.0386 X(o=-0.039,f=-0.11) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.26) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.755 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 145:sc= 0.179 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.125 K(o=0.13,f=-0.91) USER MOD Single : A 63 LYS NZ :NH3+ 154:sc= 1.21 (180deg=0.8) USER MOD Single : A 65 SER OG : rot 79:sc= 0.808 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.849 2.599 -5.475 1.00 9.67 N ATOM 2 CA MET A 1 -12.593 3.092 -4.103 1.00 10.38 C ATOM 3 C MET A 1 -11.404 3.959 -3.868 1.00 9.62 C ATOM 4 O MET A 1 -10.374 3.689 -4.483 1.00 9.62 O ATOM 5 CB MET A 1 -12.462 1.915 -3.122 1.00 13.77 C ATOM 6 CG MET A 1 -11.196 1.055 -3.133 1.00 16.29 C ATOM 7 SD MET A 1 -11.304 -0.339 -1.971 1.00 17.17 S ATOM 8 CE MET A 1 -9.622 -0.897 -2.371 1.00 16.11 C ATOM 0 H1 MET A 1 -13.782 2.142 -5.511 1.00 9.67 H new ATOM 0 H2 MET A 1 -12.829 3.398 -6.140 1.00 9.67 H new ATOM 0 H3 MET A 1 -12.116 1.910 -5.739 1.00 9.67 H new ATOM 0 HA MET A 1 -13.465 3.726 -3.942 1.00 10.38 H new ATOM 0 HB2 MET A 1 -12.574 2.317 -2.115 1.00 13.77 H new ATOM 0 HB3 MET A 1 -13.308 1.251 -3.296 1.00 13.77 H new ATOM 0 HG2 MET A 1 -11.026 0.674 -4.140 1.00 16.29 H new ATOM 0 HG3 MET A 1 -10.336 1.674 -2.877 1.00 16.29 H new ATOM 0 HE1 MET A 1 -9.177 -1.367 -1.494 1.00 16.11 H new ATOM 0 HE2 MET A 1 -9.662 -1.617 -3.188 1.00 16.11 H new ATOM 0 HE3 MET A 1 -9.017 -0.042 -2.671 1.00 16.11 H new ATOM 20 N GLN A 2 -11.510 4.950 -2.964 1.00 9.27 N ATOM 21 CA GLN A 2 -10.498 5.876 -2.559 1.00 9.07 C ATOM 22 C GLN A 2 -9.919 5.195 -1.367 1.00 8.72 C ATOM 23 O GLN A 2 -10.589 4.988 -0.357 1.00 8.22 O ATOM 24 CB GLN A 2 -10.903 7.300 -2.142 1.00 14.46 C ATOM 25 CG GLN A 2 -11.447 8.002 -3.387 1.00 17.01 C ATOM 26 CD GLN A 2 -11.959 9.401 -3.076 1.00 20.10 C ATOM 27 OE1 GLN A 2 -11.194 10.268 -2.655 1.00 21.89 O ATOM 28 NE2 GLN A 2 -13.283 9.669 -3.236 1.00 19.49 N ATOM 0 H GLN A 2 -12.388 5.116 -2.472 1.00 9.27 H new ATOM 0 HA GLN A 2 -9.861 6.072 -3.421 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -11.659 7.270 -1.357 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -10.046 7.841 -1.740 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -10.662 8.063 -4.141 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -12.254 7.407 -3.815 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -13.911 8.945 -3.585 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -13.648 10.594 -3.007 1.00 19.49 H new ATOM 37 N ILE A 3 -8.650 4.762 -1.476 1.00 5.87 N ATOM 38 CA ILE A 3 -7.956 4.275 -0.324 1.00 5.07 C ATOM 39 C ILE A 3 -6.777 5.177 -0.195 1.00 4.01 C ATOM 40 O ILE A 3 -6.285 5.755 -1.163 1.00 4.61 O ATOM 41 CB ILE A 3 -7.457 2.866 -0.449 1.00 6.55 C ATOM 42 CG1 ILE A 3 -6.776 2.448 -1.763 1.00 4.72 C ATOM 43 CG2 ILE A 3 -8.741 2.052 -0.220 1.00 5.58 C ATOM 44 CD1 ILE A 3 -6.110 1.074 -1.819 1.00 10.83 C ATOM 0 H ILE A 3 -8.113 4.748 -2.343 1.00 5.87 H new ATOM 0 HA ILE A 3 -8.635 4.268 0.529 1.00 5.07 H new ATOM 0 HB ILE A 3 -6.638 2.710 0.254 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -7.524 2.489 -2.555 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -6.019 3.196 -2.000 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -8.514 0.988 -0.286 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -9.143 2.277 0.768 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -9.478 2.313 -0.980 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -5.674 0.921 -2.806 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -5.326 1.019 -1.064 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -6.854 0.301 -1.627 1.00 10.83 H new ATOM 56 N PHE A 4 -6.302 5.398 1.043 1.00 4.55 N ATOM 57 CA PHE A 4 -5.287 6.360 1.343 1.00 4.68 C ATOM 58 C PHE A 4 -4.008 5.659 1.651 1.00 5.30 C ATOM 59 O PHE A 4 -3.856 4.937 2.635 1.00 5.58 O ATOM 60 CB PHE A 4 -5.555 7.117 2.655 1.00 4.83 C ATOM 61 CG PHE A 4 -6.936 7.676 2.620 1.00 7.97 C ATOM 62 CD1 PHE A 4 -7.340 8.518 1.611 1.00 8.34 C ATOM 63 CD2 PHE A 4 -7.856 7.525 3.630 1.00 6.69 C ATOM 64 CE1 PHE A 4 -8.624 8.969 1.417 1.00 10.61 C ATOM 65 CE2 PHE A 4 -9.115 8.076 3.589 1.00 9.10 C ATOM 66 CZ PHE A 4 -9.490 8.777 2.467 1.00 8.90 C ATOM 0 H PHE A 4 -6.635 4.891 1.863 1.00 4.55 H new ATOM 0 HA PHE A 4 -5.261 7.023 0.478 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -5.442 6.446 3.506 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -4.828 7.919 2.782 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -6.587 8.853 0.913 1.00 8.34 H new ATOM 0 HD2 PHE A 4 -7.576 6.946 4.498 1.00 6.69 H new ATOM 0 HE1 PHE A 4 -8.933 9.444 0.498 1.00 10.61 H new ATOM 0 HE2 PHE A 4 -9.795 7.961 4.420 1.00 9.10 H new ATOM 0 HZ PHE A 4 -10.488 9.186 2.409 1.00 8.90 H new ATOM 76 N VAL A 5 -2.894 5.891 0.935 1.00 4.44 N ATOM 77 CA VAL A 5 -1.654 5.284 1.309 1.00 3.87 C ATOM 78 C VAL A 5 -0.966 6.394 2.027 1.00 4.93 C ATOM 79 O VAL A 5 -0.648 7.457 1.496 1.00 6.84 O ATOM 80 CB VAL A 5 -0.848 4.828 0.130 1.00 2.99 C ATOM 81 CG1 VAL A 5 0.572 4.398 0.536 1.00 5.28 C ATOM 82 CG2 VAL A 5 -1.578 3.595 -0.429 1.00 9.13 C ATOM 0 H VAL A 5 -2.850 6.489 0.110 1.00 4.44 H new ATOM 0 HA VAL A 5 -1.792 4.379 1.901 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.755 5.642 -0.589 1.00 2.99 H new ATOM 0 HG11 VAL A 5 1.121 4.075 -0.348 1.00 5.28 H new ATOM 0 HG12 VAL A 5 1.089 5.239 0.997 1.00 5.28 H new ATOM 0 HG13 VAL A 5 0.513 3.574 1.247 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -1.037 3.213 -1.295 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -1.626 2.822 0.338 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -2.589 3.874 -0.727 1.00 9.13 H new ATOM 92 N LYS A 6 -0.677 6.211 3.328 1.00 6.04 N ATOM 93 CA LYS A 6 0.030 7.120 4.175 1.00 6.12 C ATOM 94 C LYS A 6 1.450 6.704 4.342 1.00 6.57 C ATOM 95 O LYS A 6 1.753 5.531 4.555 1.00 5.76 O ATOM 96 CB LYS A 6 -0.677 7.230 5.536 1.00 7.45 C ATOM 97 CG LYS A 6 -0.259 8.515 6.255 1.00 11.12 C ATOM 98 CD LYS A 6 -1.140 9.645 5.719 1.00 14.54 C ATOM 99 CE LYS A 6 -1.667 10.628 6.766 1.00 18.84 C ATOM 100 NZ LYS A 6 -2.936 11.245 6.318 1.00 20.55 N ATOM 0 H LYS A 6 -0.959 5.365 3.823 1.00 6.04 H new ATOM 0 HA LYS A 6 0.031 8.103 3.704 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.758 7.221 5.393 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -0.430 6.365 6.152 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.383 8.410 7.333 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.794 8.731 6.075 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.571 10.204 4.977 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.991 9.203 5.201 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.824 10.109 7.712 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.924 11.405 6.948 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -3.143 12.078 6.905 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -2.849 11.535 5.323 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -3.709 10.555 6.411 1.00 20.55 H new ATOM 114 N THR A 7 2.429 7.571 4.026 1.00 7.41 N ATOM 115 CA THR A 7 3.804 7.179 4.050 1.00 7.48 C ATOM 116 C THR A 7 4.342 7.356 5.428 1.00 8.75 C ATOM 117 O THR A 7 3.600 7.606 6.376 1.00 8.58 O ATOM 118 CB THR A 7 4.718 7.859 3.074 1.00 9.61 C ATOM 119 OG1 THR A 7 4.624 9.276 3.094 1.00 11.78 O ATOM 120 CG2 THR A 7 4.198 7.442 1.688 1.00 9.17 C ATOM 0 H THR A 7 2.269 8.541 3.755 1.00 7.41 H new ATOM 0 HA THR A 7 3.793 6.136 3.733 1.00 7.48 H new ATOM 0 HB THR A 7 5.745 7.582 3.314 1.00 9.61 H new ATOM 0 HG1 THR A 7 5.245 9.654 2.437 1.00 11.78 H new ATOM 0 HG21 THR A 7 4.815 7.900 0.915 1.00 9.17 H new ATOM 0 HG22 THR A 7 4.243 6.357 1.594 1.00 9.17 H new ATOM 0 HG23 THR A 7 3.166 7.773 1.572 1.00 9.17 H new ATOM 128 N LEU A 8 5.644 7.111 5.660 1.00 9.84 N ATOM 129 CA LEU A 8 6.343 7.250 6.900 1.00 14.15 C ATOM 130 C LEU A 8 6.489 8.692 7.246 1.00 17.37 C ATOM 131 O LEU A 8 6.201 9.016 8.398 1.00 17.01 O ATOM 132 CB LEU A 8 7.771 6.682 6.832 1.00 16.63 C ATOM 133 CG LEU A 8 8.669 6.795 8.075 1.00 18.88 C ATOM 134 CD1 LEU A 8 8.317 5.720 9.117 1.00 18.59 C ATOM 135 CD2 LEU A 8 10.054 6.434 7.512 1.00 19.31 C ATOM 0 H LEU A 8 6.260 6.788 4.914 1.00 9.84 H new ATOM 0 HA LEU A 8 5.757 6.704 7.640 1.00 14.15 H new ATOM 0 HB2 LEU A 8 7.695 5.626 6.574 1.00 16.63 H new ATOM 0 HB3 LEU A 8 8.284 7.176 6.007 1.00 16.63 H new ATOM 0 HG LEU A 8 8.584 7.770 8.556 1.00 18.88 H new ATOM 0 HD11 LEU A 8 8.969 5.826 9.984 1.00 18.59 H new ATOM 0 HD12 LEU A 8 7.279 5.840 9.427 1.00 18.59 H new ATOM 0 HD13 LEU A 8 8.453 4.731 8.680 1.00 18.59 H new ATOM 0 HD21 LEU A 8 10.794 6.478 8.311 1.00 19.31 H new ATOM 0 HD22 LEU A 8 10.027 5.426 7.098 1.00 19.31 H new ATOM 0 HD23 LEU A 8 10.324 7.141 6.728 1.00 19.31 H new ATOM 147 N THR A 9 6.967 9.575 6.351 1.00 18.33 N ATOM 148 CA THR A 9 7.186 10.968 6.583 1.00 19.24 C ATOM 149 C THR A 9 5.838 11.600 6.630 1.00 19.48 C ATOM 150 O THR A 9 5.598 12.526 7.403 1.00 23.14 O ATOM 151 CB THR A 9 8.014 11.779 5.630 1.00 18.97 C ATOM 152 OG1 THR A 9 7.593 11.552 4.293 1.00 20.24 O ATOM 153 CG2 THR A 9 9.518 11.457 5.614 1.00 19.70 C ATOM 0 H THR A 9 7.217 9.296 5.402 1.00 18.33 H new ATOM 0 HA THR A 9 7.787 10.980 7.492 1.00 19.24 H new ATOM 0 HB THR A 9 7.869 12.799 5.985 1.00 18.97 H new ATOM 0 HG1 THR A 9 8.140 12.088 3.682 1.00 20.24 H new ATOM 0 HG21 THR A 9 10.020 12.100 4.891 1.00 19.70 H new ATOM 0 HG22 THR A 9 9.937 11.628 6.605 1.00 19.70 H new ATOM 0 HG23 THR A 9 9.664 10.414 5.334 1.00 19.70 H new ATOM 161 N GLY A 10 4.824 11.071 5.921 1.00 19.43 N ATOM 162 CA GLY A 10 3.455 11.385 6.188 1.00 18.74 C ATOM 163 C GLY A 10 2.901 12.057 4.979 1.00 17.62 C ATOM 164 O GLY A 10 2.408 13.177 5.107 1.00 19.74 O ATOM 0 H GLY A 10 4.957 10.415 5.151 1.00 19.43 H new ATOM 0 HA2 GLY A 10 2.892 10.480 6.414 1.00 18.74 H new ATOM 0 HA3 GLY A 10 3.375 12.036 7.058 1.00 18.74 H new ATOM 168 N LYS A 11 3.003 11.455 3.781 1.00 13.56 N ATOM 169 CA LYS A 11 2.335 11.967 2.625 1.00 11.91 C ATOM 170 C LYS A 11 1.191 11.080 2.275 1.00 10.18 C ATOM 171 O LYS A 11 1.228 9.850 2.302 1.00 9.10 O ATOM 172 CB LYS A 11 3.310 11.899 1.438 1.00 13.43 C ATOM 173 CG LYS A 11 2.709 12.476 0.154 1.00 16.69 C ATOM 174 CD LYS A 11 3.727 12.687 -0.968 1.00 17.92 C ATOM 175 CE LYS A 11 3.074 13.199 -2.254 1.00 20.81 C ATOM 176 NZ LYS A 11 4.087 13.235 -3.333 1.00 21.93 N ATOM 0 H LYS A 11 3.550 10.611 3.612 1.00 13.56 H new ATOM 0 HA LYS A 11 1.996 12.983 2.827 1.00 11.91 H new ATOM 0 HB2 LYS A 11 4.220 12.445 1.687 1.00 13.43 H new ATOM 0 HB3 LYS A 11 3.598 10.862 1.267 1.00 13.43 H new ATOM 0 HG2 LYS A 11 1.925 11.807 -0.201 1.00 16.69 H new ATOM 0 HG3 LYS A 11 2.234 13.430 0.384 1.00 16.69 H new ATOM 0 HD2 LYS A 11 4.485 13.398 -0.639 1.00 17.92 H new ATOM 0 HD3 LYS A 11 4.240 11.747 -1.172 1.00 17.92 H new ATOM 0 HE2 LYS A 11 2.245 12.551 -2.538 1.00 20.81 H new ATOM 0 HE3 LYS A 11 2.660 14.194 -2.094 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 3.645 12.961 -4.234 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 4.472 14.197 -3.415 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 4.856 12.572 -3.109 1.00 21.93 H new ATOM 190 N THR A 12 0.041 11.704 1.963 1.00 9.63 N ATOM 191 CA THR A 12 -1.158 10.958 1.739 1.00 9.85 C ATOM 192 C THR A 12 -1.262 10.779 0.264 1.00 11.66 C ATOM 193 O THR A 12 -1.392 11.736 -0.499 1.00 12.33 O ATOM 194 CB THR A 12 -2.434 11.642 2.133 1.00 10.85 C ATOM 195 OG1 THR A 12 -2.495 12.005 3.504 1.00 10.91 O ATOM 196 CG2 THR A 12 -3.518 10.553 2.058 1.00 9.63 C ATOM 0 H THR A 12 -0.059 12.715 1.867 1.00 9.63 H new ATOM 0 HA THR A 12 -1.072 10.054 2.341 1.00 9.85 H new ATOM 0 HB THR A 12 -2.534 12.523 1.498 1.00 10.85 H new ATOM 0 HG1 THR A 12 -3.351 12.446 3.688 1.00 10.91 H new ATOM 0 HG21 THR A 12 -4.482 10.980 2.334 1.00 9.63 H new ATOM 0 HG22 THR A 12 -3.571 10.162 1.042 1.00 9.63 H new ATOM 0 HG23 THR A 12 -3.269 9.744 2.745 1.00 9.63 H new ATOM 204 N ILE A 13 -1.070 9.555 -0.260 1.00 10.42 N ATOM 205 CA ILE A 13 -1.157 9.209 -1.645 1.00 11.84 C ATOM 206 C ILE A 13 -2.480 8.543 -1.807 1.00 10.55 C ATOM 207 O ILE A 13 -2.735 7.361 -1.582 1.00 11.92 O ATOM 208 CB ILE A 13 -0.030 8.327 -2.093 1.00 14.86 C ATOM 209 CG1 ILE A 13 1.294 8.945 -1.614 1.00 14.87 C ATOM 210 CG2 ILE A 13 -0.092 8.158 -3.621 1.00 17.08 C ATOM 211 CD1 ILE A 13 2.417 8.183 -2.315 1.00 16.46 C ATOM 0 H ILE A 13 -0.838 8.753 0.325 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.072 10.096 -2.272 1.00 11.84 H new ATOM 0 HB ILE A 13 -0.108 7.330 -1.659 1.00 14.86 H new ATOM 0 HG12 ILE A 13 1.336 10.006 -1.859 1.00 14.87 H new ATOM 0 HG13 ILE A 13 1.389 8.864 -0.531 1.00 14.87 H new ATOM 0 HG21 ILE A 13 0.726 7.517 -3.950 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.043 7.703 -3.898 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -0.003 9.134 -4.099 1.00 17.08 H new ATOM 0 HD11 ILE A 13 3.380 8.588 -2.005 1.00 16.46 H new ATOM 0 HD12 ILE A 13 2.364 7.128 -2.047 1.00 16.46 H new ATOM 0 HD13 ILE A 13 2.310 8.289 -3.395 1.00 16.46 H new ATOM 223 N THR A 14 -3.489 9.322 -2.233 1.00 9.39 N ATOM 224 CA THR A 14 -4.841 8.860 -2.294 1.00 9.63 C ATOM 225 C THR A 14 -5.079 8.231 -3.624 1.00 11.20 C ATOM 226 O THR A 14 -5.077 8.846 -4.689 1.00 11.63 O ATOM 227 CB THR A 14 -5.821 9.975 -2.078 1.00 10.38 C ATOM 228 OG1 THR A 14 -5.519 10.577 -0.829 1.00 16.30 O ATOM 229 CG2 THR A 14 -7.312 9.606 -1.985 1.00 11.66 C ATOM 0 H THR A 14 -3.365 10.287 -2.540 1.00 9.39 H new ATOM 0 HA THR A 14 -4.991 8.132 -1.497 1.00 9.63 H new ATOM 0 HB THR A 14 -5.706 10.598 -2.965 1.00 10.38 H new ATOM 0 HG1 THR A 14 -6.144 11.313 -0.661 1.00 16.30 H new ATOM 0 HG21 THR A 14 -7.901 10.509 -1.829 1.00 11.66 H new ATOM 0 HG22 THR A 14 -7.626 9.124 -2.911 1.00 11.66 H new ATOM 0 HG23 THR A 14 -7.466 8.923 -1.150 1.00 11.66 H new ATOM 237 N LEU A 15 -5.394 6.923 -3.629 1.00 8.29 N ATOM 238 CA LEU A 15 -5.412 6.083 -4.786 1.00 9.03 C ATOM 239 C LEU A 15 -6.795 5.692 -5.178 1.00 8.59 C ATOM 240 O LEU A 15 -7.573 5.202 -4.360 1.00 7.79 O ATOM 241 CB LEU A 15 -4.454 4.895 -4.594 1.00 11.08 C ATOM 242 CG LEU A 15 -2.988 5.225 -4.266 1.00 15.79 C ATOM 243 CD1 LEU A 15 -2.274 3.936 -3.826 1.00 15.27 C ATOM 244 CD2 LEU A 15 -2.147 5.691 -5.466 1.00 15.88 C ATOM 0 H LEU A 15 -5.650 6.424 -2.777 1.00 8.29 H new ATOM 0 HA LEU A 15 -5.040 6.651 -5.638 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -4.847 4.269 -3.793 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -4.471 4.296 -5.505 1.00 11.08 H new ATOM 0 HG LEU A 15 -3.049 6.016 -3.519 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -1.233 4.159 -3.591 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -2.767 3.531 -2.942 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -2.315 3.204 -4.632 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -1.129 5.900 -5.138 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -2.130 4.908 -6.224 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -2.585 6.595 -5.888 1.00 15.88 H new ATOM 256 N GLU A 16 -7.123 5.709 -6.482 1.00 11.04 N ATOM 257 CA GLU A 16 -8.416 5.290 -6.924 1.00 11.50 C ATOM 258 C GLU A 16 -8.307 3.961 -7.589 1.00 10.13 C ATOM 259 O GLU A 16 -7.960 3.870 -8.766 1.00 9.83 O ATOM 260 CB GLU A 16 -9.155 6.329 -7.785 1.00 17.22 C ATOM 261 CG GLU A 16 -9.664 7.451 -6.878 1.00 23.33 C ATOM 262 CD GLU A 16 -10.413 8.549 -7.620 1.00 26.99 C ATOM 263 OE1 GLU A 16 -11.555 8.299 -8.089 1.00 28.86 O ATOM 264 OE2 GLU A 16 -9.841 9.639 -7.889 1.00 28.90 O ATOM 0 H GLU A 16 -6.496 6.012 -7.227 1.00 11.04 H new ATOM 0 HA GLU A 16 -9.047 5.193 -6.040 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -8.486 6.733 -8.545 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -9.988 5.861 -8.309 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -10.321 7.023 -6.121 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -8.817 7.893 -6.352 1.00 23.33 H new ATOM 271 N VAL A 17 -8.660 2.843 -6.929 1.00 8.99 N ATOM 272 CA VAL A 17 -8.513 1.508 -7.421 1.00 8.85 C ATOM 273 C VAL A 17 -9.807 0.783 -7.279 1.00 8.04 C ATOM 274 O VAL A 17 -10.689 1.170 -6.514 1.00 8.99 O ATOM 275 CB VAL A 17 -7.440 0.713 -6.738 1.00 9.78 C ATOM 276 CG1 VAL A 17 -6.072 1.310 -7.108 1.00 12.05 C ATOM 277 CG2 VAL A 17 -7.617 0.812 -5.213 1.00 10.54 C ATOM 0 H VAL A 17 -9.072 2.874 -5.997 1.00 8.99 H new ATOM 0 HA VAL A 17 -8.214 1.605 -8.465 1.00 8.85 H new ATOM 0 HB VAL A 17 -7.503 -0.329 -7.051 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -5.282 0.741 -6.618 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -5.935 1.264 -8.188 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -6.028 2.349 -6.781 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -6.837 0.234 -4.718 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -7.546 1.855 -4.905 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -8.594 0.417 -4.934 1.00 10.54 H new ATOM 287 N GLU A 18 -10.013 -0.351 -7.973 1.00 7.29 N ATOM 288 CA GLU A 18 -11.148 -1.208 -7.826 1.00 7.08 C ATOM 289 C GLU A 18 -10.906 -2.167 -6.711 1.00 6.45 C ATOM 290 O GLU A 18 -9.749 -2.417 -6.379 1.00 5.28 O ATOM 291 CB GLU A 18 -11.445 -1.978 -9.124 1.00 10.28 C ATOM 292 CG GLU A 18 -11.969 -1.148 -10.297 1.00 12.65 C ATOM 293 CD GLU A 18 -13.389 -0.626 -10.132 1.00 14.15 C ATOM 294 OE1 GLU A 18 -14.252 -1.485 -9.809 1.00 14.33 O ATOM 295 OE2 GLU A 18 -13.579 0.615 -10.242 1.00 18.17 O ATOM 0 H GLU A 18 -9.352 -0.687 -8.674 1.00 7.29 H new ATOM 0 HA GLU A 18 -12.016 -0.589 -7.600 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -10.531 -2.480 -9.441 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -12.175 -2.756 -8.901 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -11.302 -0.300 -10.449 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -11.924 -1.755 -11.201 1.00 12.65 H new ATOM 302 N PRO A 19 -11.836 -2.879 -6.146 1.00 7.24 N ATOM 303 CA PRO A 19 -11.603 -3.709 -5.001 1.00 7.07 C ATOM 304 C PRO A 19 -11.272 -5.107 -5.396 1.00 6.65 C ATOM 305 O PRO A 19 -10.993 -5.963 -4.558 1.00 6.37 O ATOM 306 CB PRO A 19 -12.920 -3.652 -4.230 1.00 7.61 C ATOM 307 CG PRO A 19 -14.027 -3.476 -5.282 1.00 8.16 C ATOM 308 CD PRO A 19 -13.263 -2.740 -6.395 1.00 7.49 C ATOM 0 HA PRO A 19 -10.753 -3.368 -4.409 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -13.073 -4.564 -3.653 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -12.921 -2.823 -3.522 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -14.429 -4.431 -5.620 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -14.866 -2.893 -4.903 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -13.520 -3.156 -7.369 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -13.543 -1.687 -6.414 1.00 7.49 H new ATOM 316 N SER A 20 -11.317 -5.448 -6.697 1.00 6.80 N ATOM 317 CA SER A 20 -10.964 -6.688 -7.315 1.00 6.28 C ATOM 318 C SER A 20 -9.518 -6.738 -7.671 1.00 8.45 C ATOM 319 O SER A 20 -8.932 -7.734 -8.092 1.00 7.26 O ATOM 320 CB SER A 20 -11.815 -6.953 -8.568 1.00 8.57 C ATOM 321 OG SER A 20 -12.015 -5.818 -9.398 1.00 11.13 O ATOM 0 H SER A 20 -11.638 -4.774 -7.392 1.00 6.80 H new ATOM 0 HA SER A 20 -11.165 -7.469 -6.581 1.00 6.28 H new ATOM 0 HB2 SER A 20 -11.338 -7.737 -9.156 1.00 8.57 H new ATOM 0 HB3 SER A 20 -12.787 -7.335 -8.257 1.00 8.57 H new ATOM 0 HG SER A 20 -12.562 -6.070 -10.171 1.00 11.13 H new ATOM 327 N ASP A 21 -8.790 -5.619 -7.504 1.00 7.50 N ATOM 328 CA ASP A 21 -7.399 -5.533 -7.821 1.00 7.70 C ATOM 329 C ASP A 21 -6.488 -5.921 -6.708 1.00 7.08 C ATOM 330 O ASP A 21 -6.881 -5.957 -5.543 1.00 8.11 O ATOM 331 CB ASP A 21 -7.095 -4.082 -8.230 1.00 11.00 C ATOM 332 CG ASP A 21 -7.078 -3.850 -9.734 1.00 15.32 C ATOM 333 OD1 ASP A 21 -5.987 -4.090 -10.318 1.00 18.03 O ATOM 334 OD2 ASP A 21 -8.033 -3.344 -10.382 1.00 14.36 O ATOM 0 H ASP A 21 -9.180 -4.750 -7.138 1.00 7.50 H new ATOM 0 HA ASP A 21 -7.211 -6.245 -8.625 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -7.840 -3.426 -7.781 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -6.127 -3.795 -7.818 1.00 11.00 H new ATOM 339 N THR A 22 -5.242 -6.275 -7.072 1.00 5.37 N ATOM 340 CA THR A 22 -4.269 -6.795 -6.162 1.00 6.01 C ATOM 341 C THR A 22 -3.441 -5.715 -5.553 1.00 8.01 C ATOM 342 O THR A 22 -3.307 -4.600 -6.055 1.00 8.11 O ATOM 343 CB THR A 22 -3.393 -7.798 -6.851 1.00 8.92 C ATOM 344 OG1 THR A 22 -2.822 -7.103 -7.950 1.00 10.22 O ATOM 345 CG2 THR A 22 -4.201 -9.035 -7.280 1.00 9.65 C ATOM 0 H THR A 22 -4.901 -6.197 -8.030 1.00 5.37 H new ATOM 0 HA THR A 22 -4.809 -7.288 -5.354 1.00 6.01 H new ATOM 0 HB THR A 22 -2.613 -8.189 -6.197 1.00 8.92 H new ATOM 0 HG1 THR A 22 -2.231 -7.706 -8.447 1.00 10.22 H new ATOM 0 HG21 THR A 22 -3.541 -9.746 -7.777 1.00 9.65 H new ATOM 0 HG22 THR A 22 -4.643 -9.504 -6.401 1.00 9.65 H new ATOM 0 HG23 THR A 22 -4.992 -8.733 -7.966 1.00 9.65 H new ATOM 353 N ILE A 23 -2.710 -6.056 -4.477 1.00 8.32 N ATOM 354 CA ILE A 23 -1.745 -5.175 -3.895 1.00 9.92 C ATOM 355 C ILE A 23 -0.546 -4.953 -4.751 1.00 10.01 C ATOM 356 O ILE A 23 0.212 -3.984 -4.739 1.00 8.71 O ATOM 357 CB ILE A 23 -1.360 -5.582 -2.504 1.00 10.78 C ATOM 358 CG1 ILE A 23 -2.419 -6.296 -1.647 1.00 11.38 C ATOM 359 CG2 ILE A 23 -0.843 -4.315 -1.801 1.00 10.90 C ATOM 360 CD1 ILE A 23 -3.645 -5.432 -1.354 1.00 12.30 C ATOM 0 H ILE A 23 -2.790 -6.956 -4.004 1.00 8.32 H new ATOM 0 HA ILE A 23 -2.250 -4.212 -3.825 1.00 9.92 H new ATOM 0 HB ILE A 23 -0.606 -6.362 -2.611 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -2.738 -7.204 -2.158 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -1.966 -6.603 -0.704 1.00 11.38 H new ATOM 0 HG21 ILE A 23 -0.549 -4.560 -0.780 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.018 -3.924 -2.343 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -1.631 -3.563 -1.781 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -4.351 -5.997 -0.746 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -3.338 -4.536 -0.815 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -4.121 -5.146 -2.292 1.00 12.30 H new ATOM 372 N GLU A 24 -0.270 -5.853 -5.712 1.00 9.54 N ATOM 373 CA GLU A 24 0.779 -5.677 -6.668 1.00 11.81 C ATOM 374 C GLU A 24 0.529 -4.537 -7.595 1.00 11.14 C ATOM 375 O GLU A 24 1.439 -3.773 -7.912 1.00 10.62 O ATOM 376 CB GLU A 24 1.056 -6.952 -7.482 1.00 19.24 C ATOM 377 CG GLU A 24 2.260 -6.909 -8.426 1.00 27.76 C ATOM 378 CD GLU A 24 2.611 -8.263 -9.025 1.00 32.92 C ATOM 379 OE1 GLU A 24 1.688 -8.996 -9.471 1.00 34.80 O ATOM 380 OE2 GLU A 24 3.783 -8.686 -8.841 1.00 36.51 O ATOM 0 H GLU A 24 -0.788 -6.724 -5.827 1.00 9.54 H new ATOM 0 HA GLU A 24 1.664 -5.447 -6.075 1.00 11.81 H new ATOM 0 HB2 GLU A 24 1.198 -7.778 -6.785 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.168 -7.181 -8.071 1.00 19.24 H new ATOM 0 HG2 GLU A 24 2.054 -6.206 -9.233 1.00 27.76 H new ATOM 0 HG3 GLU A 24 3.124 -6.526 -7.883 1.00 27.76 H new ATOM 387 N ASN A 25 -0.719 -4.422 -8.084 1.00 9.43 N ATOM 388 CA ASN A 25 -1.139 -3.370 -8.957 1.00 10.96 C ATOM 389 C ASN A 25 -1.239 -2.042 -8.290 1.00 9.68 C ATOM 390 O ASN A 25 -0.834 -1.067 -8.921 1.00 9.33 O ATOM 391 CB ASN A 25 -2.441 -3.694 -9.708 1.00 16.78 C ATOM 392 CG ASN A 25 -2.165 -4.548 -10.937 1.00 22.31 C ATOM 393 OD1 ASN A 25 -1.368 -4.165 -11.791 1.00 25.66 O ATOM 394 ND2 ASN A 25 -2.758 -5.767 -11.048 1.00 24.70 N ATOM 0 H ASN A 25 -1.462 -5.085 -7.864 1.00 9.43 H new ATOM 0 HA ASN A 25 -0.338 -3.299 -9.693 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -3.127 -4.219 -9.043 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -2.932 -2.768 -10.007 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -2.542 -6.369 -11.843 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -3.418 -6.080 -10.336 1.00 24.70 H new ATOM 401 N VAL A 26 -1.595 -1.953 -6.996 1.00 6.52 N ATOM 402 CA VAL A 26 -1.580 -0.848 -6.088 1.00 5.53 C ATOM 403 C VAL A 26 -0.205 -0.311 -5.888 1.00 4.42 C ATOM 404 O VAL A 26 -0.005 0.902 -5.850 1.00 3.40 O ATOM 405 CB VAL A 26 -2.130 -1.221 -4.743 1.00 3.86 C ATOM 406 CG1 VAL A 26 -2.091 -0.009 -3.796 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.617 -1.565 -4.928 1.00 8.12 C ATOM 0 H VAL A 26 -1.945 -2.785 -6.522 1.00 6.52 H new ATOM 0 HA VAL A 26 -2.210 -0.085 -6.545 1.00 5.53 H new ATOM 0 HB VAL A 26 -1.546 -2.046 -4.335 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -2.493 -0.294 -2.824 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -1.061 0.328 -3.678 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -2.691 0.799 -4.214 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -4.049 -1.842 -3.966 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -4.144 -0.698 -5.327 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -3.714 -2.400 -5.622 1.00 8.12 H new ATOM 417 N LYS A 27 0.809 -1.192 -5.822 1.00 2.64 N ATOM 418 CA LYS A 27 2.172 -0.776 -5.941 1.00 4.14 C ATOM 419 C LYS A 27 2.542 -0.255 -7.287 1.00 5.58 C ATOM 420 O LYS A 27 3.191 0.789 -7.317 1.00 4.11 O ATOM 421 CB LYS A 27 3.078 -1.927 -5.471 1.00 3.97 C ATOM 422 CG LYS A 27 3.097 -2.292 -3.986 1.00 7.45 C ATOM 423 CD LYS A 27 4.098 -3.422 -3.739 1.00 9.02 C ATOM 424 CE LYS A 27 4.188 -4.024 -2.335 1.00 12.90 C ATOM 425 NZ LYS A 27 5.035 -5.230 -2.198 1.00 15.47 N ATOM 0 H LYS A 27 0.684 -2.195 -5.686 1.00 2.64 H new ATOM 0 HA LYS A 27 2.317 0.090 -5.295 1.00 4.14 H new ATOM 0 HB2 LYS A 27 2.792 -2.820 -6.026 1.00 3.97 H new ATOM 0 HB3 LYS A 27 4.099 -1.683 -5.764 1.00 3.97 H new ATOM 0 HG2 LYS A 27 3.367 -1.419 -3.392 1.00 7.45 H new ATOM 0 HG3 LYS A 27 2.102 -2.600 -3.666 1.00 7.45 H new ATOM 0 HD2 LYS A 27 3.863 -4.230 -4.432 1.00 9.02 H new ATOM 0 HD3 LYS A 27 5.088 -3.052 -4.005 1.00 9.02 H new ATOM 0 HE2 LYS A 27 4.567 -3.259 -1.657 1.00 12.90 H new ATOM 0 HE3 LYS A 27 3.180 -4.273 -2.003 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 4.599 -5.885 -1.518 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 5.124 -5.699 -3.122 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 5.978 -4.955 -1.857 1.00 15.47 H new ATOM 439 N ALA A 28 2.132 -0.849 -8.422 1.00 6.61 N ATOM 440 CA ALA A 28 2.367 -0.224 -9.687 1.00 7.74 C ATOM 441 C ALA A 28 1.810 1.141 -9.895 1.00 9.17 C ATOM 442 O ALA A 28 2.445 2.048 -10.431 1.00 11.45 O ATOM 443 CB ALA A 28 1.928 -1.146 -10.837 1.00 7.68 C ATOM 0 H ALA A 28 1.647 -1.745 -8.466 1.00 6.61 H new ATOM 0 HA ALA A 28 3.446 -0.067 -9.683 1.00 7.74 H new ATOM 0 HB1 ALA A 28 2.115 -0.652 -11.791 1.00 7.68 H new ATOM 0 HB2 ALA A 28 2.493 -2.077 -10.793 1.00 7.68 H new ATOM 0 HB3 ALA A 28 0.864 -1.363 -10.743 1.00 7.68 H new ATOM 449 N LYS A 29 0.604 1.369 -9.345 1.00 8.96 N ATOM 450 CA LYS A 29 -0.041 2.628 -9.130 1.00 7.90 C ATOM 451 C LYS A 29 0.767 3.727 -8.531 1.00 6.92 C ATOM 452 O LYS A 29 0.678 4.923 -8.804 1.00 6.87 O ATOM 453 CB LYS A 29 -1.391 2.617 -8.393 1.00 10.28 C ATOM 454 CG LYS A 29 -2.450 1.823 -9.161 1.00 14.94 C ATOM 455 CD LYS A 29 -2.928 2.503 -10.445 1.00 19.69 C ATOM 456 CE LYS A 29 -3.565 1.540 -11.449 1.00 22.63 C ATOM 457 NZ LYS A 29 -4.043 2.221 -12.674 1.00 24.98 N ATOM 0 H LYS A 29 0.026 0.594 -9.020 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.208 2.844 -10.185 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -1.260 2.184 -7.401 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -1.736 3.641 -8.251 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -2.044 0.843 -9.411 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -3.308 1.656 -8.509 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -3.651 3.277 -10.188 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -2.082 3.001 -10.919 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -2.838 0.776 -11.724 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -4.402 1.028 -10.974 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -4.465 1.522 -13.318 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -4.758 2.932 -12.419 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -3.243 2.688 -13.146 1.00 24.98 H new ATOM 471 N ILE A 30 1.671 3.361 -7.604 1.00 4.57 N ATOM 472 CA ILE A 30 2.451 4.242 -6.792 1.00 5.58 C ATOM 473 C ILE A 30 3.782 4.512 -7.405 1.00 7.26 C ATOM 474 O ILE A 30 4.316 5.619 -7.349 1.00 9.46 O ATOM 475 CB ILE A 30 2.672 3.633 -5.439 1.00 5.36 C ATOM 476 CG1 ILE A 30 1.373 3.601 -4.616 1.00 2.94 C ATOM 477 CG2 ILE A 30 3.787 4.312 -4.625 1.00 2.78 C ATOM 478 CD1 ILE A 30 1.386 2.654 -3.416 1.00 2.00 C ATOM 0 H ILE A 30 1.870 2.380 -7.410 1.00 4.57 H new ATOM 0 HA ILE A 30 1.900 5.178 -6.706 1.00 5.58 H new ATOM 0 HB ILE A 30 3.002 2.613 -5.639 1.00 5.36 H new ATOM 0 HG12 ILE A 30 1.162 4.610 -4.260 1.00 2.94 H new ATOM 0 HG13 ILE A 30 0.552 3.317 -5.274 1.00 2.94 H new ATOM 0 HG21 ILE A 30 3.887 3.816 -3.660 1.00 2.78 H new ATOM 0 HG22 ILE A 30 4.729 4.241 -5.169 1.00 2.78 H new ATOM 0 HG23 ILE A 30 3.536 5.361 -4.469 1.00 2.78 H new ATOM 0 HD11 ILE A 30 0.426 2.704 -2.902 1.00 2.00 H new ATOM 0 HD12 ILE A 30 1.561 1.634 -3.759 1.00 2.00 H new ATOM 0 HD13 ILE A 30 2.181 2.947 -2.730 1.00 2.00 H new ATOM 490 N GLN A 31 4.337 3.493 -8.085 1.00 7.06 N ATOM 491 CA GLN A 31 5.380 3.656 -9.050 1.00 8.67 C ATOM 492 C GLN A 31 4.978 4.570 -10.156 1.00 10.90 C ATOM 493 O GLN A 31 5.600 5.605 -10.390 1.00 9.63 O ATOM 494 CB GLN A 31 5.795 2.285 -9.611 1.00 9.12 C ATOM 495 CG GLN A 31 7.287 2.195 -9.935 1.00 10.76 C ATOM 496 CD GLN A 31 7.649 3.137 -11.075 1.00 13.78 C ATOM 497 OE1 GLN A 31 8.510 4.004 -10.933 1.00 14.48 O ATOM 498 NE2 GLN A 31 7.136 2.855 -12.303 1.00 14.76 N ATOM 0 H GLN A 31 4.050 2.522 -7.959 1.00 7.06 H new ATOM 0 HA GLN A 31 6.231 4.113 -8.546 1.00 8.67 H new ATOM 0 HB2 GLN A 31 5.539 1.511 -8.888 1.00 9.12 H new ATOM 0 HB3 GLN A 31 5.220 2.080 -10.514 1.00 9.12 H new ATOM 0 HG2 GLN A 31 7.872 2.446 -9.050 1.00 10.76 H new ATOM 0 HG3 GLN A 31 7.544 1.171 -10.207 1.00 10.76 H new ATOM 0 HE21 GLN A 31 6.423 2.133 -12.404 1.00 14.76 H new ATOM 0 HE22 GLN A 31 7.465 3.365 -13.123 1.00 14.76 H new ATOM 507 N ASP A 32 3.781 4.356 -10.730 1.00 10.93 N ATOM 508 CA ASP A 32 3.154 5.251 -11.653 1.00 14.01 C ATOM 509 C ASP A 32 3.025 6.650 -11.157 1.00 14.04 C ATOM 510 O ASP A 32 3.463 7.636 -11.749 1.00 13.39 O ATOM 511 CB ASP A 32 1.843 4.765 -12.292 1.00 18.01 C ATOM 512 CG ASP A 32 1.517 5.511 -13.578 1.00 24.33 C ATOM 513 OD1 ASP A 32 2.262 5.396 -14.588 1.00 26.29 O ATOM 514 OD2 ASP A 32 0.442 6.167 -13.620 1.00 25.17 O ATOM 0 H ASP A 32 3.225 3.522 -10.542 1.00 10.93 H new ATOM 0 HA ASP A 32 3.879 5.255 -12.467 1.00 14.01 H new ATOM 0 HB2 ASP A 32 1.917 3.698 -12.502 1.00 18.01 H new ATOM 0 HB3 ASP A 32 1.026 4.894 -11.582 1.00 18.01 H new ATOM 519 N LYS A 33 2.343 6.788 -10.006 1.00 14.22 N ATOM 520 CA LYS A 33 1.984 8.094 -9.547 1.00 14.00 C ATOM 521 C LYS A 33 3.109 8.779 -8.849 1.00 12.37 C ATOM 522 O LYS A 33 3.449 9.907 -9.204 1.00 12.17 O ATOM 523 CB LYS A 33 0.756 8.070 -8.621 1.00 18.62 C ATOM 524 CG LYS A 33 0.417 9.382 -7.912 1.00 24.00 C ATOM 525 CD LYS A 33 -0.182 10.376 -8.910 1.00 27.61 C ATOM 526 CE LYS A 33 -0.731 11.702 -8.379 1.00 27.64 C ATOM 527 NZ LYS A 33 0.294 12.383 -7.557 1.00 30.06 N ATOM 0 H LYS A 33 2.046 6.018 -9.407 1.00 14.22 H new ATOM 0 HA LYS A 33 1.735 8.657 -10.446 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -0.110 7.765 -9.209 1.00 18.62 H new ATOM 0 HB3 LYS A 33 0.914 7.302 -7.863 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -0.289 9.196 -7.103 1.00 24.00 H new ATOM 0 HG3 LYS A 33 1.315 9.804 -7.460 1.00 24.00 H new ATOM 0 HD2 LYS A 33 0.585 10.607 -9.649 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -0.991 9.870 -9.437 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.026 12.342 -9.211 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.626 11.522 -7.783 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.076 13.298 -7.229 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.530 11.790 -6.736 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 1.149 12.540 -8.128 1.00 30.06 H new ATOM 541 N GLU A 34 3.808 8.223 -7.844 1.00 10.11 N ATOM 542 CA GLU A 34 4.661 8.876 -6.901 1.00 10.07 C ATOM 543 C GLU A 34 6.003 8.682 -7.519 1.00 9.32 C ATOM 544 O GLU A 34 6.873 9.550 -7.468 1.00 11.61 O ATOM 545 CB GLU A 34 4.758 8.171 -5.537 1.00 14.77 C ATOM 546 CG GLU A 34 5.591 8.905 -4.485 1.00 18.75 C ATOM 547 CD GLU A 34 4.930 10.218 -4.089 1.00 22.28 C ATOM 548 OE1 GLU A 34 3.792 10.523 -4.534 1.00 25.19 O ATOM 549 OE2 GLU A 34 5.652 11.005 -3.419 1.00 21.95 O ATOM 0 H GLU A 34 3.770 7.217 -7.678 1.00 10.11 H new ATOM 0 HA GLU A 34 4.305 9.890 -6.719 1.00 10.07 H new ATOM 0 HB2 GLU A 34 3.750 8.029 -5.146 1.00 14.77 H new ATOM 0 HB3 GLU A 34 5.184 7.179 -5.688 1.00 14.77 H new ATOM 0 HG2 GLU A 34 5.711 8.273 -3.605 1.00 18.75 H new ATOM 0 HG3 GLU A 34 6.590 9.099 -4.876 1.00 18.75 H new ATOM 556 N GLY A 35 6.369 7.515 -8.076 1.00 7.22 N ATOM 557 CA GLY A 35 7.715 7.264 -8.488 1.00 6.29 C ATOM 558 C GLY A 35 8.576 6.555 -7.499 1.00 6.93 C ATOM 559 O GLY A 35 9.770 6.836 -7.407 1.00 7.41 O ATOM 0 H GLY A 35 5.728 6.739 -8.242 1.00 7.22 H new ATOM 0 HA2 GLY A 35 7.690 6.677 -9.406 1.00 6.29 H new ATOM 0 HA3 GLY A 35 8.184 8.217 -8.732 1.00 6.29 H new ATOM 563 N ILE A 36 8.046 5.513 -6.833 1.00 5.86 N ATOM 564 CA ILE A 36 8.829 4.746 -5.915 1.00 6.07 C ATOM 565 C ILE A 36 9.034 3.394 -6.505 1.00 6.36 C ATOM 566 O ILE A 36 7.991 2.757 -6.640 1.00 6.18 O ATOM 567 CB ILE A 36 8.105 4.667 -4.603 1.00 7.47 C ATOM 568 CG1 ILE A 36 7.917 6.085 -4.039 1.00 8.52 C ATOM 569 CG2 ILE A 36 8.975 3.825 -3.654 1.00 7.36 C ATOM 570 CD1 ILE A 36 6.984 6.019 -2.830 1.00 9.49 C ATOM 0 H ILE A 36 7.079 5.203 -6.930 1.00 5.86 H new ATOM 0 HA ILE A 36 9.800 5.207 -5.737 1.00 6.07 H new ATOM 0 HB ILE A 36 7.121 4.213 -4.719 1.00 7.47 H new ATOM 0 HG12 ILE A 36 8.880 6.506 -3.749 1.00 8.52 H new ATOM 0 HG13 ILE A 36 7.499 6.742 -4.802 1.00 8.52 H new ATOM 0 HG21 ILE A 36 8.482 3.743 -2.685 1.00 7.36 H new ATOM 0 HG22 ILE A 36 9.115 2.830 -4.075 1.00 7.36 H new ATOM 0 HG23 ILE A 36 9.945 4.305 -3.528 1.00 7.36 H new ATOM 0 HD11 ILE A 36 6.845 7.020 -2.423 1.00 9.49 H new ATOM 0 HD12 ILE A 36 6.019 5.614 -3.136 1.00 9.49 H new ATOM 0 HD13 ILE A 36 7.422 5.375 -2.067 1.00 9.49 H new ATOM 582 N PRO A 37 10.183 2.852 -6.783 1.00 8.65 N ATOM 583 CA PRO A 37 10.201 1.552 -7.389 1.00 9.18 C ATOM 584 C PRO A 37 9.703 0.456 -6.511 1.00 9.85 C ATOM 585 O PRO A 37 9.954 0.641 -5.321 1.00 8.51 O ATOM 586 CB PRO A 37 11.695 1.306 -7.585 1.00 11.42 C ATOM 587 CG PRO A 37 12.255 2.655 -8.063 1.00 9.27 C ATOM 588 CD PRO A 37 11.287 3.612 -7.349 1.00 8.33 C ATOM 0 HA PRO A 37 9.567 1.542 -8.276 1.00 9.18 H new ATOM 0 HB2 PRO A 37 12.169 0.988 -6.656 1.00 11.42 H new ATOM 0 HB3 PRO A 37 11.874 0.521 -8.320 1.00 11.42 H new ATOM 0 HG2 PRO A 37 13.291 2.807 -7.760 1.00 9.27 H new ATOM 0 HG3 PRO A 37 12.221 2.760 -9.147 1.00 9.27 H new ATOM 0 HD2 PRO A 37 11.810 4.155 -6.562 1.00 8.33 H new ATOM 0 HD3 PRO A 37 10.909 4.355 -8.051 1.00 8.33 H new ATOM 596 N PRO A 38 9.097 -0.604 -6.956 1.00 8.71 N ATOM 597 CA PRO A 38 8.303 -1.441 -6.104 1.00 9.08 C ATOM 598 C PRO A 38 9.014 -2.329 -5.141 1.00 9.28 C ATOM 599 O PRO A 38 8.402 -2.776 -4.173 1.00 6.50 O ATOM 600 CB PRO A 38 7.475 -2.259 -7.092 1.00 10.31 C ATOM 601 CG PRO A 38 8.240 -2.289 -8.425 1.00 10.81 C ATOM 602 CD PRO A 38 8.873 -0.890 -8.365 1.00 12.00 C ATOM 0 HA PRO A 38 7.740 -0.809 -5.418 1.00 9.08 H new ATOM 0 HB2 PRO A 38 7.320 -3.270 -6.717 1.00 10.31 H new ATOM 0 HB3 PRO A 38 6.489 -1.814 -7.226 1.00 10.31 H new ATOM 0 HG2 PRO A 38 8.982 -3.086 -8.468 1.00 10.81 H new ATOM 0 HG3 PRO A 38 7.583 -2.418 -9.285 1.00 10.81 H new ATOM 0 HD2 PRO A 38 9.810 -0.863 -8.921 1.00 12.00 H new ATOM 0 HD3 PRO A 38 8.215 -0.146 -8.813 1.00 12.00 H new ATOM 610 N ASP A 39 10.313 -2.620 -5.333 1.00 11.20 N ATOM 611 CA ASP A 39 11.150 -3.352 -4.435 1.00 14.96 C ATOM 612 C ASP A 39 11.357 -2.796 -3.068 1.00 13.99 C ATOM 613 O ASP A 39 11.517 -3.549 -2.109 1.00 13.75 O ATOM 614 CB ASP A 39 12.525 -3.600 -5.079 1.00 24.16 C ATOM 615 CG ASP A 39 13.287 -2.333 -5.437 1.00 31.06 C ATOM 616 OD1 ASP A 39 12.835 -1.643 -6.390 1.00 34.22 O ATOM 617 OD2 ASP A 39 14.230 -2.000 -4.671 1.00 35.55 O ATOM 0 H ASP A 39 10.811 -2.323 -6.172 1.00 11.20 H new ATOM 0 HA ASP A 39 10.584 -4.269 -4.271 1.00 14.96 H new ATOM 0 HB2 ASP A 39 13.132 -4.194 -4.395 1.00 24.16 H new ATOM 0 HB3 ASP A 39 12.388 -4.195 -5.982 1.00 24.16 H new ATOM 622 N GLN A 40 11.087 -1.493 -2.875 1.00 11.60 N ATOM 623 CA GLN A 40 11.304 -0.736 -1.681 1.00 10.76 C ATOM 624 C GLN A 40 10.093 -0.594 -0.825 1.00 8.01 C ATOM 625 O GLN A 40 10.184 -0.253 0.354 1.00 8.96 O ATOM 626 CB GLN A 40 11.806 0.690 -1.964 1.00 11.14 C ATOM 627 CG GLN A 40 13.012 0.719 -2.906 1.00 14.85 C ATOM 628 CD GLN A 40 13.076 2.140 -3.446 1.00 16.11 C ATOM 629 OE1 GLN A 40 12.432 3.033 -2.898 1.00 20.52 O ATOM 630 NE2 GLN A 40 13.748 2.316 -4.616 1.00 18.16 N ATOM 0 H GLN A 40 10.683 -0.922 -3.618 1.00 11.60 H new ATOM 0 HA GLN A 40 12.059 -1.320 -1.155 1.00 10.76 H new ATOM 0 HB2 GLN A 40 10.996 1.275 -2.400 1.00 11.14 H new ATOM 0 HB3 GLN A 40 12.075 1.169 -1.023 1.00 11.14 H new ATOM 0 HG2 GLN A 40 13.929 0.459 -2.377 1.00 14.85 H new ATOM 0 HG3 GLN A 40 12.895 -0.003 -3.715 1.00 14.85 H new ATOM 0 HE21 GLN A 40 14.267 1.540 -5.028 1.00 18.16 H new ATOM 0 HE22 GLN A 40 13.733 3.224 -5.081 1.00 18.16 H new ATOM 639 N GLN A 41 8.892 -0.932 -1.325 1.00 6.52 N ATOM 640 CA GLN A 41 7.618 -0.664 -0.731 1.00 3.87 C ATOM 641 C GLN A 41 7.089 -1.851 -0.002 1.00 4.79 C ATOM 642 O GLN A 41 7.219 -2.989 -0.451 1.00 6.34 O ATOM 643 CB GLN A 41 6.596 -0.267 -1.810 1.00 4.20 C ATOM 644 CG GLN A 41 6.932 1.134 -2.325 1.00 3.20 C ATOM 645 CD GLN A 41 5.848 1.406 -3.358 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.632 1.334 -3.188 1.00 5.21 O ATOM 647 NE2 GLN A 41 6.249 1.773 -4.604 1.00 7.13 N ATOM 0 H GLN A 41 8.805 -1.430 -2.211 1.00 6.52 H new ATOM 0 HA GLN A 41 7.763 0.153 -0.025 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.617 -0.984 -2.630 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.587 -0.284 -1.397 1.00 4.20 H new ATOM 0 HG2 GLN A 41 6.914 1.871 -1.522 1.00 3.20 H new ATOM 0 HG3 GLN A 41 7.927 1.170 -2.769 1.00 3.20 H new ATOM 0 HE21 GLN A 41 7.243 1.853 -4.817 1.00 7.13 H new ATOM 0 HE22 GLN A 41 5.556 1.968 -5.326 1.00 7.13 H new ATOM 656 N ARG A 42 6.466 -1.548 1.150 1.00 5.73 N ATOM 657 CA ARG A 42 5.941 -2.579 1.991 1.00 6.97 C ATOM 658 C ARG A 42 4.675 -2.068 2.588 1.00 7.15 C ATOM 659 O ARG A 42 4.837 -1.169 3.411 1.00 7.33 O ATOM 660 CB ARG A 42 6.883 -2.975 3.140 1.00 13.23 C ATOM 661 CG ARG A 42 6.309 -3.881 4.231 1.00 21.27 C ATOM 662 CD ARG A 42 7.348 -4.404 5.226 1.00 26.14 C ATOM 663 NE ARG A 42 8.351 -5.259 4.531 1.00 32.26 N ATOM 664 CZ ARG A 42 9.262 -5.968 5.259 1.00 34.32 C ATOM 665 NH1 ARG A 42 9.389 -5.809 6.609 1.00 35.30 N ATOM 666 NH2 ARG A 42 9.955 -6.968 4.640 1.00 36.39 N ATOM 0 H ARG A 42 6.326 -0.599 1.497 1.00 5.73 H new ATOM 0 HA ARG A 42 5.798 -3.467 1.375 1.00 6.97 H new ATOM 0 HB2 ARG A 42 7.751 -3.473 2.709 1.00 13.23 H new ATOM 0 HB3 ARG A 42 7.242 -2.061 3.613 1.00 13.23 H new ATOM 0 HG2 ARG A 42 5.544 -3.331 4.778 1.00 21.27 H new ATOM 0 HG3 ARG A 42 5.815 -4.730 3.759 1.00 21.27 H new ATOM 0 HD2 ARG A 42 7.849 -3.567 5.712 1.00 26.14 H new ATOM 0 HD3 ARG A 42 6.853 -4.977 6.010 1.00 26.14 H new ATOM 0 HE ARG A 42 8.357 -5.314 3.513 1.00 32.26 H new ATOM 0 HH11 ARG A 42 8.793 -5.145 7.103 1.00 35.30 H new ATOM 0 HH12 ARG A 42 10.080 -6.355 7.124 1.00 35.30 H new ATOM 0 HH21 ARG A 42 9.787 -7.171 3.655 1.00 36.39 H new ATOM 0 HH22 ARG A 42 10.641 -7.512 5.163 1.00 36.39 H new ATOM 680 N LEU A 43 3.430 -2.468 2.273 1.00 4.65 N ATOM 681 CA LEU A 43 2.219 -1.909 2.790 1.00 3.51 C ATOM 682 C LEU A 43 1.734 -2.610 4.011 1.00 5.56 C ATOM 683 O LEU A 43 1.795 -3.835 4.103 1.00 4.19 O ATOM 684 CB LEU A 43 1.114 -2.030 1.727 1.00 3.74 C ATOM 685 CG LEU A 43 1.363 -1.098 0.529 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.932 -1.642 -0.843 1.00 6.41 C ATOM 687 CD2 LEU A 43 0.731 0.278 0.798 1.00 9.55 C ATOM 0 H LEU A 43 3.259 -3.229 1.616 1.00 4.65 H new ATOM 0 HA LEU A 43 2.437 -0.872 3.046 1.00 3.51 H new ATOM 0 HB2 LEU A 43 1.057 -3.061 1.379 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.150 -1.792 2.177 1.00 3.74 H new ATOM 0 HG LEU A 43 2.447 -1.015 0.451 1.00 6.32 H new ATOM 0 HD11 LEU A 43 1.154 -0.903 -1.613 1.00 6.41 H new ATOM 0 HD12 LEU A 43 1.475 -2.563 -1.056 1.00 6.41 H new ATOM 0 HD13 LEU A 43 -0.139 -1.846 -0.834 1.00 6.41 H new ATOM 0 HD21 LEU A 43 0.911 0.934 -0.054 1.00 9.55 H new ATOM 0 HD22 LEU A 43 -0.343 0.162 0.947 1.00 9.55 H new ATOM 0 HD23 LEU A 43 1.176 0.714 1.692 1.00 9.55 H new ATOM 699 N ILE A 44 1.132 -1.872 4.961 1.00 4.58 N ATOM 700 CA ILE A 44 0.653 -2.336 6.226 1.00 5.55 C ATOM 701 C ILE A 44 -0.764 -1.917 6.416 1.00 5.46 C ATOM 702 O ILE A 44 -1.189 -0.826 6.038 1.00 6.04 O ATOM 703 CB ILE A 44 1.419 -1.850 7.421 1.00 6.80 C ATOM 704 CG1 ILE A 44 2.941 -1.908 7.208 1.00 10.31 C ATOM 705 CG2 ILE A 44 1.033 -2.682 8.655 1.00 7.39 C ATOM 706 CD1 ILE A 44 3.630 -0.987 8.214 1.00 13.90 C ATOM 0 H ILE A 44 0.968 -0.873 4.833 1.00 4.58 H new ATOM 0 HA ILE A 44 0.776 -3.418 6.180 1.00 5.55 H new ATOM 0 HB ILE A 44 1.155 -0.804 7.574 1.00 6.80 H new ATOM 0 HG12 ILE A 44 3.298 -2.931 7.331 1.00 10.31 H new ATOM 0 HG13 ILE A 44 3.189 -1.604 6.191 1.00 10.31 H new ATOM 0 HG21 ILE A 44 1.591 -2.327 9.522 1.00 7.39 H new ATOM 0 HG22 ILE A 44 -0.036 -2.579 8.844 1.00 7.39 H new ATOM 0 HG23 ILE A 44 1.270 -3.731 8.475 1.00 7.39 H new ATOM 0 HD11 ILE A 44 4.709 -1.027 8.064 1.00 13.90 H new ATOM 0 HD12 ILE A 44 3.281 0.036 8.069 1.00 13.90 H new ATOM 0 HD13 ILE A 44 3.392 -1.312 9.227 1.00 13.90 H new ATOM 718 N PHE A 45 -1.688 -2.734 6.953 1.00 6.75 N ATOM 719 CA PHE A 45 -3.041 -2.397 7.267 1.00 4.70 C ATOM 720 C PHE A 45 -3.066 -2.709 8.724 1.00 6.34 C ATOM 721 O PHE A 45 -2.809 -3.849 9.106 1.00 5.45 O ATOM 722 CB PHE A 45 -4.022 -3.349 6.562 1.00 5.51 C ATOM 723 CG PHE A 45 -5.379 -2.842 6.913 1.00 5.98 C ATOM 724 CD1 PHE A 45 -5.752 -1.624 6.396 1.00 6.86 C ATOM 725 CD2 PHE A 45 -6.127 -3.529 7.840 1.00 5.87 C ATOM 726 CE1 PHE A 45 -6.934 -1.089 6.851 1.00 6.68 C ATOM 727 CE2 PHE A 45 -7.321 -2.995 8.265 1.00 6.64 C ATOM 728 CZ PHE A 45 -7.669 -1.745 7.811 1.00 6.84 C ATOM 0 H PHE A 45 -1.471 -3.703 7.184 1.00 6.75 H new ATOM 0 HA PHE A 45 -3.319 -1.383 6.981 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -3.867 -3.346 5.483 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -3.886 -4.376 6.900 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -5.144 -1.111 5.666 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -5.781 -4.475 8.229 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -7.287 -0.149 6.453 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -7.967 -3.542 8.936 1.00 6.64 H new ATOM 0 HZ PHE A 45 -8.545 -1.264 8.220 1.00 6.84 H new ATOM 738 N ALA A 46 -3.211 -1.652 9.543 1.00 6.53 N ATOM 739 CA ALA A 46 -3.305 -1.740 10.968 1.00 7.15 C ATOM 740 C ALA A 46 -2.037 -2.151 11.634 1.00 9.00 C ATOM 741 O ALA A 46 -1.480 -1.194 12.170 1.00 11.15 O ATOM 742 CB ALA A 46 -4.536 -2.565 11.380 1.00 8.99 C ATOM 0 H ALA A 46 -3.265 -0.694 9.197 1.00 6.53 H new ATOM 0 HA ALA A 46 -3.462 -0.730 11.346 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -4.590 -2.620 12.467 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -5.438 -2.089 10.996 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -4.454 -3.571 10.969 1.00 8.99 H new ATOM 748 N GLY A 47 -1.664 -3.441 11.558 1.00 9.35 N ATOM 749 CA GLY A 47 -0.400 -4.017 11.898 1.00 11.68 C ATOM 750 C GLY A 47 -0.133 -5.335 11.256 1.00 11.14 C ATOM 751 O GLY A 47 0.763 -6.072 11.663 1.00 13.93 O ATOM 0 H GLY A 47 -2.316 -4.151 11.224 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.390 -3.322 11.615 1.00 11.68 H new ATOM 0 HA3 GLY A 47 -0.348 -4.136 12.980 1.00 11.68 H new ATOM 755 N LYS A 48 -0.818 -5.642 10.140 1.00 10.47 N ATOM 756 CA LYS A 48 -0.612 -6.812 9.345 1.00 8.82 C ATOM 757 C LYS A 48 -0.125 -6.339 8.019 1.00 7.68 C ATOM 758 O LYS A 48 -0.710 -5.398 7.485 1.00 6.47 O ATOM 759 CB LYS A 48 -1.792 -7.785 9.180 1.00 9.74 C ATOM 760 CG LYS A 48 -3.115 -7.206 8.675 1.00 14.14 C ATOM 761 CD LYS A 48 -4.291 -8.130 8.997 1.00 16.32 C ATOM 762 CE LYS A 48 -4.200 -9.377 8.115 1.00 20.04 C ATOM 763 NZ LYS A 48 -5.381 -10.258 8.265 1.00 23.92 N ATOM 0 H LYS A 48 -1.556 -5.041 9.773 1.00 10.47 H new ATOM 0 HA LYS A 48 0.105 -7.430 9.886 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -1.485 -8.574 8.493 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -1.977 -8.257 10.145 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -3.283 -6.230 9.130 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -3.058 -7.050 7.598 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -4.272 -8.411 10.050 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -5.235 -7.613 8.822 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -4.104 -9.076 7.072 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -3.299 -9.935 8.370 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -5.275 -11.089 7.649 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -5.459 -10.568 9.255 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -6.240 -9.736 7.997 1.00 23.92 H new ATOM 777 N GLN A 49 0.965 -6.894 7.458 1.00 8.89 N ATOM 778 CA GLN A 49 1.349 -6.526 6.131 1.00 7.18 C ATOM 779 C GLN A 49 0.454 -7.046 5.060 1.00 8.23 C ATOM 780 O GLN A 49 -0.066 -8.151 5.208 1.00 9.70 O ATOM 781 CB GLN A 49 2.757 -6.944 5.673 1.00 11.67 C ATOM 782 CG GLN A 49 3.973 -6.401 6.425 1.00 15.82 C ATOM 783 CD GLN A 49 5.210 -7.204 6.048 1.00 20.21 C ATOM 784 OE1 GLN A 49 5.397 -7.672 4.926 1.00 23.23 O ATOM 785 NE2 GLN A 49 6.033 -7.387 7.115 1.00 20.67 N ATOM 0 H GLN A 49 1.568 -7.581 7.911 1.00 8.89 H new ATOM 0 HA GLN A 49 1.293 -5.443 6.240 1.00 7.18 H new ATOM 0 HB2 GLN A 49 2.806 -8.032 5.711 1.00 11.67 H new ATOM 0 HB3 GLN A 49 2.862 -6.656 4.627 1.00 11.67 H new ATOM 0 HG2 GLN A 49 4.123 -5.349 6.182 1.00 15.82 H new ATOM 0 HG3 GLN A 49 3.804 -6.459 7.500 1.00 15.82 H new ATOM 0 HE21 GLN A 49 5.805 -6.963 8.014 1.00 20.67 H new ATOM 0 HE22 GLN A 49 6.879 -7.949 7.016 1.00 20.67 H new ATOM 794 N LEU A 50 0.320 -6.262 3.976 1.00 6.51 N ATOM 795 CA LEU A 50 -0.328 -6.613 2.750 1.00 7.41 C ATOM 796 C LEU A 50 0.633 -6.983 1.674 1.00 8.27 C ATOM 797 O LEU A 50 1.302 -6.099 1.141 1.00 8.34 O ATOM 798 CB LEU A 50 -1.320 -5.545 2.259 1.00 7.13 C ATOM 799 CG LEU A 50 -2.206 -5.036 3.408 1.00 7.53 C ATOM 800 CD1 LEU A 50 -3.095 -3.937 2.801 1.00 9.11 C ATOM 801 CD2 LEU A 50 -3.113 -5.994 4.199 1.00 8.14 C ATOM 0 H LEU A 50 0.692 -5.313 3.956 1.00 6.51 H new ATOM 0 HA LEU A 50 -0.911 -7.503 2.988 1.00 7.41 H new ATOM 0 HB2 LEU A 50 -0.772 -4.710 1.822 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -1.947 -5.962 1.471 1.00 7.13 H new ATOM 0 HG LEU A 50 -1.486 -4.744 4.172 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -3.751 -3.533 3.572 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -2.467 -3.139 2.404 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -3.697 -4.359 1.996 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -3.653 -5.436 4.964 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -3.826 -6.463 3.521 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -2.504 -6.763 4.674 1.00 8.14 H new ATOM 813 N GLU A 51 0.715 -8.269 1.289 1.00 9.43 N ATOM 814 CA GLU A 51 1.607 -8.681 0.249 1.00 11.90 C ATOM 815 C GLU A 51 0.959 -8.768 -1.089 1.00 11.49 C ATOM 816 O GLU A 51 -0.181 -9.208 -1.229 1.00 9.88 O ATOM 817 CB GLU A 51 2.353 -9.972 0.625 1.00 16.56 C ATOM 818 CG GLU A 51 3.231 -9.880 1.874 1.00 26.06 C ATOM 819 CD GLU A 51 3.840 -11.205 2.312 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.210 -11.932 3.125 1.00 33.44 O ATOM 821 OE2 GLU A 51 5.018 -11.440 1.931 1.00 32.13 O ATOM 0 H GLU A 51 0.164 -9.024 1.698 1.00 9.43 H new ATOM 0 HA GLU A 51 2.351 -7.890 0.154 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.620 -10.765 0.774 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.978 -10.269 -0.217 1.00 16.56 H new ATOM 0 HG2 GLU A 51 4.035 -9.168 1.687 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.635 -9.479 2.694 1.00 26.06 H new ATOM 828 N ASP A 52 1.703 -8.385 -2.142 1.00 12.71 N ATOM 829 CA ASP A 52 1.483 -8.324 -3.554 1.00 16.56 C ATOM 830 C ASP A 52 0.423 -9.181 -4.155 1.00 15.83 C ATOM 831 O ASP A 52 -0.599 -8.626 -4.557 1.00 17.21 O ATOM 832 CB ASP A 52 2.826 -8.681 -4.213 1.00 21.05 C ATOM 833 CG ASP A 52 4.042 -7.938 -3.681 1.00 25.12 C ATOM 834 OD1 ASP A 52 4.530 -8.252 -2.562 1.00 28.37 O ATOM 835 OD2 ASP A 52 4.469 -6.905 -4.264 1.00 25.82 O ATOM 0 H ASP A 52 2.648 -8.053 -1.951 1.00 12.71 H new ATOM 0 HA ASP A 52 1.109 -7.317 -3.738 1.00 16.56 H new ATOM 0 HB2 ASP A 52 2.996 -9.751 -4.092 1.00 21.05 H new ATOM 0 HB3 ASP A 52 2.746 -8.490 -5.283 1.00 21.05 H new ATOM 840 N GLY A 53 0.519 -10.521 -4.206 1.00 15.00 N ATOM 841 CA GLY A 53 -0.412 -11.386 -4.862 1.00 11.77 C ATOM 842 C GLY A 53 -1.620 -11.753 -4.071 1.00 11.10 C ATOM 843 O GLY A 53 -1.967 -12.921 -3.907 1.00 11.25 O ATOM 0 H GLY A 53 1.287 -11.028 -3.766 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -0.737 -10.907 -5.786 1.00 11.77 H new ATOM 0 HA3 GLY A 53 0.107 -12.302 -5.144 1.00 11.77 H new ATOM 847 N ARG A 54 -2.450 -10.758 -3.710 1.00 8.53 N ATOM 848 CA ARG A 54 -3.768 -11.082 -3.261 1.00 9.05 C ATOM 849 C ARG A 54 -4.604 -9.854 -3.376 1.00 8.96 C ATOM 850 O ARG A 54 -4.115 -8.727 -3.439 1.00 11.60 O ATOM 851 CB ARG A 54 -3.814 -11.514 -1.786 1.00 7.97 C ATOM 852 CG ARG A 54 -5.091 -11.948 -1.063 1.00 9.62 C ATOM 853 CD ARG A 54 -4.645 -12.486 0.299 1.00 12.20 C ATOM 854 NE ARG A 54 -5.905 -12.881 0.989 1.00 18.23 N ATOM 855 CZ ARG A 54 -6.088 -13.273 2.284 1.00 22.08 C ATOM 856 NH1 ARG A 54 -5.109 -13.098 3.220 1.00 23.38 N ATOM 857 NH2 ARG A 54 -7.337 -13.707 2.621 1.00 25.50 N ATOM 0 H ARG A 54 -2.221 -9.764 -3.727 1.00 8.53 H new ATOM 0 HA ARG A 54 -4.124 -11.911 -3.873 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -3.112 -12.342 -1.689 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -3.406 -10.682 -1.212 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -5.777 -11.109 -0.945 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -5.619 -12.714 -1.631 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -3.973 -13.337 0.186 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -4.106 -11.727 0.866 1.00 12.20 H new ATOM 0 HE ARG A 54 -6.747 -12.855 0.414 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -4.222 -12.668 2.956 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -5.264 -13.397 4.183 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -8.077 -13.726 1.919 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -7.531 -14.012 3.575 1.00 25.50 H new ATOM 871 N THR A 55 -5.941 -9.955 -3.480 1.00 9.05 N ATOM 872 CA THR A 55 -6.869 -8.899 -3.744 1.00 9.03 C ATOM 873 C THR A 55 -7.246 -8.098 -2.545 1.00 8.15 C ATOM 874 O THR A 55 -7.279 -8.535 -1.396 1.00 5.91 O ATOM 875 CB THR A 55 -8.050 -9.256 -4.597 1.00 11.15 C ATOM 876 OG1 THR A 55 -8.826 -10.277 -3.987 1.00 11.95 O ATOM 877 CG2 THR A 55 -7.488 -9.767 -5.934 1.00 11.71 C ATOM 0 H THR A 55 -6.411 -10.853 -3.370 1.00 9.05 H new ATOM 0 HA THR A 55 -6.279 -8.237 -4.378 1.00 9.03 H new ATOM 0 HB THR A 55 -8.696 -8.389 -4.734 1.00 11.15 H new ATOM 0 HG1 THR A 55 -9.591 -10.492 -4.560 1.00 11.95 H new ATOM 0 HG21 THR A 55 -8.311 -10.041 -6.594 1.00 11.71 H new ATOM 0 HG22 THR A 55 -6.894 -8.983 -6.402 1.00 11.71 H new ATOM 0 HG23 THR A 55 -6.860 -10.640 -5.755 1.00 11.71 H new ATOM 885 N LEU A 56 -7.572 -6.820 -2.805 1.00 6.91 N ATOM 886 CA LEU A 56 -7.822 -5.848 -1.787 1.00 8.29 C ATOM 887 C LEU A 56 -9.034 -6.156 -0.977 1.00 8.05 C ATOM 888 O LEU A 56 -8.967 -6.182 0.251 1.00 10.17 O ATOM 889 CB LEU A 56 -8.009 -4.476 -2.455 1.00 6.60 C ATOM 890 CG LEU A 56 -6.693 -3.905 -3.009 1.00 7.73 C ATOM 891 CD1 LEU A 56 -6.930 -3.044 -4.262 1.00 8.64 C ATOM 892 CD2 LEU A 56 -6.107 -3.004 -1.909 1.00 9.85 C ATOM 0 H LEU A 56 -7.664 -6.452 -3.752 1.00 6.91 H new ATOM 0 HA LEU A 56 -6.968 -5.854 -1.110 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -8.732 -4.566 -3.266 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.428 -3.777 -1.731 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.028 -4.723 -3.285 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -5.977 -2.658 -4.624 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -7.394 -3.652 -5.039 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -7.587 -2.211 -4.012 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -5.168 -2.572 -2.254 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -6.811 -2.204 -1.680 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -5.926 -3.596 -1.012 1.00 9.85 H new ATOM 904 N SER A 57 -10.123 -6.508 -1.684 1.00 8.92 N ATOM 905 CA SER A 57 -11.286 -7.009 -1.019 1.00 9.00 C ATOM 906 C SER A 57 -10.983 -8.225 -0.214 1.00 9.44 C ATOM 907 O SER A 57 -11.487 -8.404 0.894 1.00 10.91 O ATOM 908 CB SER A 57 -12.461 -7.228 -1.987 1.00 10.32 C ATOM 909 OG SER A 57 -13.591 -7.660 -1.245 1.00 13.59 O ATOM 0 H SER A 57 -10.199 -6.447 -2.699 1.00 8.92 H new ATOM 0 HA SER A 57 -11.606 -6.238 -0.318 1.00 9.00 H new ATOM 0 HB2 SER A 57 -12.689 -6.304 -2.518 1.00 10.32 H new ATOM 0 HB3 SER A 57 -12.197 -7.971 -2.739 1.00 10.32 H new ATOM 0 HG SER A 57 -14.347 -7.801 -1.853 1.00 13.59 H new ATOM 915 N ASP A 58 -10.208 -9.215 -0.693 1.00 9.11 N ATOM 916 CA ASP A 58 -9.999 -10.466 -0.032 1.00 7.91 C ATOM 917 C ASP A 58 -9.195 -10.291 1.210 1.00 9.12 C ATOM 918 O ASP A 58 -9.280 -11.109 2.125 1.00 8.61 O ATOM 919 CB ASP A 58 -9.201 -11.353 -1.002 1.00 8.41 C ATOM 920 CG ASP A 58 -9.272 -12.855 -0.768 1.00 11.50 C ATOM 921 OD1 ASP A 58 -10.353 -13.452 -1.019 1.00 11.70 O ATOM 922 OD2 ASP A 58 -8.290 -13.437 -0.235 1.00 10.05 O ATOM 0 H ASP A 58 -9.706 -9.140 -1.578 1.00 9.11 H new ATOM 0 HA ASP A 58 -10.959 -10.903 0.241 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -9.549 -11.149 -2.015 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -8.155 -11.051 -0.958 1.00 8.41 H new ATOM 927 N TYR A 59 -8.500 -9.150 1.361 1.00 7.97 N ATOM 928 CA TYR A 59 -7.828 -8.654 2.522 1.00 8.45 C ATOM 929 C TYR A 59 -8.693 -7.907 3.478 1.00 10.98 C ATOM 930 O TYR A 59 -8.298 -7.561 4.590 1.00 12.95 O ATOM 931 CB TYR A 59 -6.625 -7.750 2.207 1.00 7.94 C ATOM 932 CG TYR A 59 -5.265 -8.351 2.304 1.00 6.91 C ATOM 933 CD1 TYR A 59 -4.854 -8.862 3.512 1.00 6.98 C ATOM 934 CD2 TYR A 59 -4.464 -8.412 1.188 1.00 4.59 C ATOM 935 CE1 TYR A 59 -3.545 -9.259 3.655 1.00 6.52 C ATOM 936 CE2 TYR A 59 -3.179 -8.889 1.292 1.00 5.39 C ATOM 937 CZ TYR A 59 -2.753 -9.307 2.531 1.00 6.76 C ATOM 938 OH TYR A 59 -1.501 -9.931 2.714 1.00 7.63 O ATOM 0 H TYR A 59 -8.400 -8.504 0.578 1.00 7.97 H new ATOM 0 HA TYR A 59 -7.494 -9.580 2.990 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -6.750 -7.365 1.195 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -6.663 -6.894 2.881 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -5.547 -8.950 4.335 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -4.844 -8.086 0.231 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -3.149 -9.526 4.624 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -2.528 -8.934 0.432 1.00 5.39 H new ATOM 0 HH TYR A 59 -1.258 -10.422 1.901 1.00 7.63 H new ATOM 948 N ASN A 60 -9.873 -7.460 3.012 1.00 12.38 N ATOM 949 CA ASN A 60 -10.915 -6.767 3.702 1.00 13.94 C ATOM 950 C ASN A 60 -10.711 -5.291 3.697 1.00 14.16 C ATOM 951 O ASN A 60 -10.999 -4.582 4.660 1.00 14.26 O ATOM 952 CB ASN A 60 -11.368 -7.289 5.076 1.00 19.23 C ATOM 953 CG ASN A 60 -11.746 -8.760 4.981 1.00 22.65 C ATOM 954 OD1 ASN A 60 -10.992 -9.695 5.243 1.00 25.45 O ATOM 955 ND2 ASN A 60 -13.061 -9.026 4.756 1.00 24.09 N ATOM 0 H ASN A 60 -10.122 -7.604 2.033 1.00 12.38 H new ATOM 0 HA ASN A 60 -11.779 -7.018 3.087 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -10.568 -7.158 5.805 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -12.220 -6.709 5.430 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -13.403 -9.986 4.806 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -13.705 -8.266 4.537 1.00 24.09 H new ATOM 962 N ILE A 61 -10.232 -4.782 2.548 1.00 11.08 N ATOM 963 CA ILE A 61 -9.822 -3.424 2.367 1.00 11.78 C ATOM 964 C ILE A 61 -10.868 -2.791 1.515 1.00 13.74 C ATOM 965 O ILE A 61 -11.007 -2.998 0.311 1.00 14.60 O ATOM 966 CB ILE A 61 -8.509 -3.261 1.660 1.00 11.80 C ATOM 967 CG1 ILE A 61 -7.365 -3.970 2.403 1.00 11.56 C ATOM 968 CG2 ILE A 61 -8.086 -1.785 1.560 1.00 13.29 C ATOM 969 CD1 ILE A 61 -7.167 -3.467 3.832 1.00 11.42 C ATOM 0 H ILE A 61 -10.126 -5.345 1.704 1.00 11.08 H new ATOM 0 HA ILE A 61 -9.700 -2.976 3.353 1.00 11.78 H new ATOM 0 HB ILE A 61 -8.669 -3.693 0.672 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -7.566 -5.041 2.427 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -6.439 -3.832 1.845 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -7.130 -1.715 1.041 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -8.841 -1.227 1.007 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -7.987 -1.366 2.561 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -6.344 -4.010 4.298 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -6.935 -2.402 3.814 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -8.080 -3.630 4.405 1.00 11.42 H new ATOM 981 N GLN A 62 -11.743 -1.935 2.074 1.00 13.97 N ATOM 982 CA GLN A 62 -12.887 -1.269 1.533 1.00 15.52 C ATOM 983 C GLN A 62 -12.699 0.207 1.459 1.00 13.94 C ATOM 984 O GLN A 62 -11.622 0.798 1.519 1.00 12.15 O ATOM 985 CB GLN A 62 -14.192 -1.749 2.191 1.00 19.53 C ATOM 986 CG GLN A 62 -14.665 -1.018 3.449 1.00 26.38 C ATOM 987 CD GLN A 62 -13.630 -0.727 4.526 1.00 30.61 C ATOM 988 OE1 GLN A 62 -12.956 -1.707 4.838 1.00 33.23 O ATOM 989 NE2 GLN A 62 -13.470 0.523 5.038 1.00 32.71 N ATOM 0 H GLN A 62 -11.623 -1.676 3.053 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.994 -1.563 0.489 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -14.986 -1.684 1.447 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -14.074 -2.803 2.440 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -15.105 -0.070 3.141 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -15.463 -1.608 3.900 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -14.073 1.284 4.724 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -12.747 0.700 5.735 1.00 32.71 H new ATOM 998 N LYS A 63 -13.774 1.000 1.307 1.00 11.73 N ATOM 999 CA LYS A 63 -13.933 2.405 1.090 1.00 11.97 C ATOM 1000 C LYS A 63 -13.441 3.216 2.239 1.00 10.41 C ATOM 1001 O LYS A 63 -14.012 3.063 3.317 1.00 9.59 O ATOM 1002 CB LYS A 63 -15.351 2.697 0.572 1.00 13.73 C ATOM 1003 CG LYS A 63 -15.682 4.186 0.684 1.00 16.98 C ATOM 1004 CD LYS A 63 -16.995 4.530 -0.022 1.00 20.19 C ATOM 1005 CE LYS A 63 -17.766 5.793 0.366 1.00 23.42 C ATOM 1006 NZ LYS A 63 -16.887 6.982 0.445 1.00 25.97 N ATOM 0 H LYS A 63 -14.696 0.566 1.345 1.00 11.73 H new ATOM 0 HA LYS A 63 -13.276 2.744 0.289 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -15.434 2.380 -0.468 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -16.076 2.116 1.142 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -15.751 4.465 1.735 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -14.872 4.772 0.251 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -16.781 4.596 -1.089 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -17.668 3.684 0.117 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -18.555 5.974 -0.364 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -18.253 5.638 1.329 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -17.448 7.840 0.270 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -16.459 7.035 1.391 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -16.137 6.907 -0.271 1.00 25.97 H new ATOM 1020 N GLU A 64 -12.464 4.115 2.026 1.00 10.04 N ATOM 1021 CA GLU A 64 -11.791 4.892 3.021 1.00 10.94 C ATOM 1022 C GLU A 64 -11.015 3.976 3.904 1.00 9.74 C ATOM 1023 O GLU A 64 -11.079 4.202 5.112 1.00 9.42 O ATOM 1024 CB GLU A 64 -12.658 5.984 3.670 1.00 18.31 C ATOM 1025 CG GLU A 64 -13.169 6.988 2.635 1.00 24.16 C ATOM 1026 CD GLU A 64 -14.394 7.653 3.245 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -14.171 8.668 3.958 1.00 32.61 O ATOM 1028 OE2 GLU A 64 -15.554 7.290 2.911 1.00 31.72 O ATOM 0 H GLU A 64 -12.119 4.313 1.087 1.00 10.04 H new ATOM 0 HA GLU A 64 -11.047 5.541 2.559 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -13.504 5.523 4.179 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -12.077 6.507 4.429 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -12.403 7.727 2.401 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -13.424 6.487 1.702 1.00 24.16 H new ATOM 1035 N SER A 65 -10.161 3.066 3.404 1.00 6.85 N ATOM 1036 CA SER A 65 -9.250 2.352 4.244 1.00 6.90 C ATOM 1037 C SER A 65 -7.946 3.071 4.214 1.00 4.72 C ATOM 1038 O SER A 65 -7.688 3.722 3.202 1.00 3.91 O ATOM 1039 CB SER A 65 -8.815 0.968 3.736 1.00 7.28 C ATOM 1040 OG SER A 65 -9.981 0.159 3.800 1.00 10.56 O ATOM 0 H SER A 65 -10.101 2.824 2.415 1.00 6.85 H new ATOM 0 HA SER A 65 -9.778 2.269 5.194 1.00 6.90 H new ATOM 0 HB2 SER A 65 -8.432 1.026 2.717 1.00 7.28 H new ATOM 0 HB3 SER A 65 -8.017 0.556 4.353 1.00 7.28 H new ATOM 0 HG SER A 65 -10.560 0.358 3.034 1.00 10.56 H new ATOM 1046 N THR A 66 -7.135 2.898 5.273 1.00 4.48 N ATOM 1047 CA THR A 66 -5.865 3.555 5.321 1.00 3.80 C ATOM 1048 C THR A 66 -4.838 2.479 5.404 1.00 4.60 C ATOM 1049 O THR A 66 -4.888 1.559 6.219 1.00 5.33 O ATOM 1050 CB THR A 66 -5.771 4.458 6.515 1.00 2.85 C ATOM 1051 OG1 THR A 66 -6.649 5.573 6.503 1.00 2.15 O ATOM 1052 CG2 THR A 66 -4.398 5.151 6.485 1.00 3.40 C ATOM 0 H THR A 66 -7.352 2.315 6.082 1.00 4.48 H new ATOM 0 HA THR A 66 -5.719 4.179 4.440 1.00 3.80 H new ATOM 0 HB THR A 66 -5.988 3.807 7.362 1.00 2.85 H new ATOM 0 HG1 THR A 66 -6.518 6.101 7.318 1.00 2.15 H new ATOM 0 HG21 THR A 66 -4.306 5.814 7.345 1.00 3.40 H new ATOM 0 HG22 THR A 66 -3.610 4.399 6.521 1.00 3.40 H new ATOM 0 HG23 THR A 66 -4.304 5.732 5.567 1.00 3.40 H new ATOM 1060 N LEU A 67 -3.855 2.595 4.493 1.00 4.17 N ATOM 1061 CA LEU A 67 -2.768 1.686 4.301 1.00 3.85 C ATOM 1062 C LEU A 67 -1.463 2.312 4.655 1.00 3.80 C ATOM 1063 O LEU A 67 -1.160 3.340 4.052 1.00 5.54 O ATOM 1064 CB LEU A 67 -2.708 1.404 2.791 1.00 7.18 C ATOM 1065 CG LEU A 67 -3.868 0.594 2.187 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -3.504 0.038 0.800 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -4.328 -0.597 3.045 1.00 8.12 C ATOM 0 H LEU A 67 -3.819 3.381 3.844 1.00 4.17 H new ATOM 0 HA LEU A 67 -2.925 0.802 4.919 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -2.654 2.360 2.269 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -1.779 0.874 2.582 1.00 7.18 H new ATOM 0 HG LEU A 67 -4.685 1.313 2.130 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -4.346 -0.529 0.403 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -3.272 0.863 0.127 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -2.636 -0.615 0.886 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -5.148 -1.111 2.544 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -3.497 -1.288 3.183 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -4.665 -0.237 4.017 1.00 8.12 H new ATOM 1079 N HIS A 68 -0.696 1.862 5.664 1.00 2.94 N ATOM 1080 CA HIS A 68 0.511 2.525 6.049 1.00 4.17 C ATOM 1081 C HIS A 68 1.722 1.971 5.379 1.00 5.32 C ATOM 1082 O HIS A 68 1.871 0.751 5.388 1.00 7.70 O ATOM 1083 CB HIS A 68 0.808 2.377 7.551 1.00 5.57 C ATOM 1084 CG HIS A 68 1.929 3.219 8.084 1.00 9.95 C ATOM 1085 ND1 HIS A 68 2.195 4.524 7.724 1.00 13.74 N ATOM 1086 CD2 HIS A 68 2.827 2.919 9.060 1.00 12.79 C ATOM 1087 CE1 HIS A 68 3.289 4.912 8.432 1.00 14.75 C ATOM 1088 NE2 HIS A 68 3.705 3.966 9.254 1.00 16.30 N ATOM 0 H HIS A 68 -0.914 1.033 6.217 1.00 2.94 H new ATOM 0 HA HIS A 68 0.332 3.561 5.762 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.098 2.619 8.106 1.00 5.57 H new ATOM 0 HB3 HIS A 68 1.037 1.331 7.755 1.00 5.57 H new ATOM 0 HD2 HIS A 68 2.850 1.989 9.608 1.00 12.79 H new ATOM 0 HE1 HIS A 68 3.761 5.878 8.334 1.00 14.75 H new ATOM 0 HE2 HIS A 68 4.500 4.001 9.892 1.00 16.30 H new ATOM 1096 N LEU A 69 2.535 2.790 4.688 1.00 5.29 N ATOM 1097 CA LEU A 69 3.610 2.404 3.828 1.00 3.97 C ATOM 1098 C LEU A 69 4.925 2.561 4.511 1.00 5.07 C ATOM 1099 O LEU A 69 5.330 3.643 4.932 1.00 4.34 O ATOM 1100 CB LEU A 69 3.455 3.054 2.443 1.00 6.08 C ATOM 1101 CG LEU A 69 4.606 2.847 1.445 1.00 7.37 C ATOM 1102 CD1 LEU A 69 4.790 1.328 1.292 1.00 9.96 C ATOM 1103 CD2 LEU A 69 4.140 3.397 0.086 1.00 6.87 C ATOM 0 H LEU A 69 2.431 3.804 4.736 1.00 5.29 H new ATOM 0 HA LEU A 69 3.570 1.336 3.615 1.00 3.97 H new ATOM 0 HB2 LEU A 69 2.540 2.672 1.990 1.00 6.08 H new ATOM 0 HB3 LEU A 69 3.317 4.126 2.585 1.00 6.08 H new ATOM 0 HG LEU A 69 5.524 3.335 1.774 1.00 7.37 H new ATOM 0 HD11 LEU A 69 5.600 1.128 0.590 1.00 9.96 H new ATOM 0 HD12 LEU A 69 5.034 0.892 2.261 1.00 9.96 H new ATOM 0 HD13 LEU A 69 3.867 0.886 0.917 1.00 9.96 H new ATOM 0 HD21 LEU A 69 4.933 3.267 -0.650 1.00 6.87 H new ATOM 0 HD22 LEU A 69 3.251 2.857 -0.239 1.00 6.87 H new ATOM 0 HD23 LEU A 69 3.905 4.457 0.184 1.00 6.87 H new ATOM 1115 N VAL A 70 5.709 1.471 4.587 1.00 4.29 N ATOM 1116 CA VAL A 70 7.039 1.559 5.105 1.00 6.26 C ATOM 1117 C VAL A 70 8.069 1.113 4.126 1.00 9.22 C ATOM 1118 O VAL A 70 7.857 0.704 2.985 1.00 9.36 O ATOM 1119 CB VAL A 70 7.136 0.833 6.414 1.00 8.69 C ATOM 1120 CG1 VAL A 70 6.701 1.685 7.618 1.00 9.76 C ATOM 1121 CG2 VAL A 70 6.522 -0.573 6.311 1.00 8.54 C ATOM 0 H VAL A 70 5.426 0.536 4.293 1.00 4.29 H new ATOM 0 HA VAL A 70 7.256 2.611 5.288 1.00 6.26 H new ATOM 0 HB VAL A 70 8.189 0.659 6.635 1.00 8.69 H new ATOM 0 HG11 VAL A 70 6.796 1.099 8.532 1.00 9.76 H new ATOM 0 HG12 VAL A 70 7.335 2.569 7.686 1.00 9.76 H new ATOM 0 HG13 VAL A 70 5.663 1.992 7.490 1.00 9.76 H new ATOM 0 HG21 VAL A 70 6.605 -1.078 7.273 1.00 8.54 H new ATOM 0 HG22 VAL A 70 5.471 -0.492 6.034 1.00 8.54 H new ATOM 0 HG23 VAL A 70 7.054 -1.148 5.553 1.00 8.54 H new ATOM 1131 N LEU A 71 9.351 1.126 4.531 1.00 12.71 N ATOM 1132 CA LEU A 71 10.428 0.643 3.723 1.00 16.06 C ATOM 1133 C LEU A 71 10.861 -0.777 3.855 1.00 18.09 C ATOM 1134 O LEU A 71 11.213 -1.153 4.972 1.00 19.26 O ATOM 1135 CB LEU A 71 11.650 1.529 4.014 1.00 17.10 C ATOM 1136 CG LEU A 71 12.918 1.137 3.237 1.00 19.37 C ATOM 1137 CD1 LEU A 71 12.845 1.289 1.708 1.00 19.57 C ATOM 1138 CD2 LEU A 71 14.204 1.892 3.612 1.00 17.51 C ATOM 0 H LEU A 71 9.646 1.480 5.441 1.00 12.71 H new ATOM 0 HA LEU A 71 10.028 0.690 2.710 1.00 16.06 H new ATOM 0 HB2 LEU A 71 11.399 2.563 3.777 1.00 17.10 H new ATOM 0 HB3 LEU A 71 11.866 1.490 5.082 1.00 17.10 H new ATOM 0 HG LEU A 71 12.962 0.091 3.540 1.00 19.37 H new ATOM 0 HD11 LEU A 71 13.794 0.984 1.266 1.00 19.57 H new ATOM 0 HD12 LEU A 71 12.045 0.661 1.318 1.00 19.57 H new ATOM 0 HD13 LEU A 71 12.645 2.330 1.455 1.00 19.57 H new ATOM 0 HD21 LEU A 71 15.030 1.531 2.999 1.00 17.51 H new ATOM 0 HD22 LEU A 71 14.063 2.959 3.439 1.00 17.51 H new ATOM 0 HD23 LEU A 71 14.432 1.722 4.664 1.00 17.51 H new