USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 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 7 THR OG1 : rot 180:sc= 1.14 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -178:sc= 0 (180deg=-0.00412) USER MOD Single : A 1 MET N :NH3+ 146:sc= 1.25 (180deg=0.83) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -169:sc= -0.142 (180deg=-0.526!) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0628 USER MOD Single : A 14 THR OG1 : rot -94:sc= 0.0499 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.152 K(o=-0.15,f=-0.91) USER MOD Single : A 27 LYS NZ :NH3+ -148:sc= 1.27 (180deg=1.05) USER MOD Single : A 29 LYS NZ :NH3+ 163:sc= 1.25 (180deg=0.678) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.472 K(o=0.47,f=-5.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 55 THR OG1 : rot -66:sc= 1.23 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= -0.099 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.027 K(o=-0.027,f=-1.8!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 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 -13.018 4.037 -2.417 1.00 9.67 N ATOM 2 CA MET A 1 -12.601 4.747 -1.188 1.00 10.38 C ATOM 3 C MET A 1 -11.160 5.126 -1.198 1.00 9.62 C ATOM 4 O MET A 1 -10.362 4.700 -2.032 1.00 9.62 O ATOM 5 CB MET A 1 -12.827 3.861 0.049 1.00 13.77 C ATOM 6 CG MET A 1 -11.991 2.579 0.051 1.00 16.29 C ATOM 7 SD MET A 1 -12.545 1.401 1.321 1.00 17.17 S ATOM 8 CE MET A 1 -11.100 0.355 0.982 1.00 16.11 C ATOM 0 H1 MET A 1 -13.745 3.331 -2.181 1.00 9.67 H new ATOM 0 H2 MET A 1 -13.407 4.720 -3.098 1.00 9.67 H new ATOM 0 H3 MET A 1 -12.196 3.559 -2.838 1.00 9.67 H new ATOM 0 HA MET A 1 -13.208 5.651 -1.150 1.00 10.38 H new ATOM 0 HB2 MET A 1 -12.594 4.437 0.945 1.00 13.77 H new ATOM 0 HB3 MET A 1 -13.883 3.596 0.106 1.00 13.77 H new ATOM 0 HG2 MET A 1 -12.049 2.107 -0.930 1.00 16.29 H new ATOM 0 HG3 MET A 1 -10.944 2.830 0.222 1.00 16.29 H new ATOM 0 HE1 MET A 1 -11.142 -0.537 1.606 1.00 16.11 H new ATOM 0 HE2 MET A 1 -11.100 0.063 -0.068 1.00 16.11 H new ATOM 0 HE3 MET A 1 -10.189 0.910 1.204 1.00 16.11 H new ATOM 20 N GLN A 2 -10.799 6.143 -0.396 1.00 9.27 N ATOM 21 CA GLN A 2 -9.424 6.530 -0.321 1.00 9.07 C ATOM 22 C GLN A 2 -8.803 5.824 0.834 1.00 8.72 C ATOM 23 O GLN A 2 -9.342 5.489 1.888 1.00 8.22 O ATOM 24 CB GLN A 2 -9.153 8.042 -0.246 1.00 14.46 C ATOM 25 CG GLN A 2 -9.394 8.829 -1.535 1.00 17.01 C ATOM 26 CD GLN A 2 -9.667 10.311 -1.318 1.00 20.10 C ATOM 27 OE1 GLN A 2 -8.776 10.993 -0.816 1.00 21.89 O ATOM 28 NE2 GLN A 2 -10.828 10.890 -1.726 1.00 19.49 N ATOM 0 H GLN A 2 -11.438 6.685 0.186 1.00 9.27 H new ATOM 0 HA GLN A 2 -8.972 6.237 -1.269 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -9.781 8.465 0.538 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -8.117 8.191 0.060 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -8.523 8.722 -2.181 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -10.239 8.389 -2.064 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -11.564 10.319 -2.142 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -10.963 11.895 -1.616 1.00 19.49 H new ATOM 37 N ILE A 3 -7.515 5.499 0.620 1.00 5.87 N ATOM 38 CA ILE A 3 -6.629 4.949 1.598 1.00 5.07 C ATOM 39 C ILE A 3 -5.411 5.799 1.491 1.00 4.01 C ATOM 40 O ILE A 3 -5.264 6.636 0.602 1.00 4.61 O ATOM 41 CB ILE A 3 -6.315 3.512 1.305 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.522 3.250 0.013 1.00 4.72 C ATOM 43 CG2 ILE A 3 -7.603 2.681 1.434 1.00 5.58 C ATOM 44 CD1 ILE A 3 -4.565 2.063 0.104 1.00 10.83 C ATOM 0 H ILE A 3 -7.068 5.628 -0.288 1.00 5.87 H new ATOM 0 HA ILE A 3 -7.058 4.952 2.600 1.00 5.07 H new ATOM 0 HB ILE A 3 -5.601 3.179 2.058 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -6.223 3.077 -0.803 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -4.953 4.144 -0.240 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -7.384 1.634 1.222 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -7.995 2.772 2.447 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -8.345 3.047 0.724 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -4.043 1.943 -0.845 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -3.839 2.241 0.897 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -5.129 1.157 0.325 1.00 10.83 H new ATOM 56 N PHE A 4 -4.504 5.673 2.476 1.00 4.55 N ATOM 57 CA PHE A 4 -3.362 6.532 2.532 1.00 4.68 C ATOM 58 C PHE A 4 -2.228 5.570 2.617 1.00 5.30 C ATOM 59 O PHE A 4 -2.176 4.693 3.478 1.00 5.58 O ATOM 60 CB PHE A 4 -3.255 7.500 3.722 1.00 4.83 C ATOM 61 CG PHE A 4 -4.416 8.431 3.656 1.00 7.97 C ATOM 62 CD1 PHE A 4 -4.442 9.410 2.691 1.00 8.34 C ATOM 63 CD2 PHE A 4 -5.476 8.236 4.510 1.00 6.69 C ATOM 64 CE1 PHE A 4 -5.507 10.276 2.608 1.00 10.61 C ATOM 65 CE2 PHE A 4 -6.515 9.133 4.431 1.00 9.10 C ATOM 66 CZ PHE A 4 -6.528 10.165 3.523 1.00 8.90 C ATOM 0 H PHE A 4 -4.559 4.984 3.226 1.00 4.55 H new ATOM 0 HA PHE A 4 -3.397 7.202 1.673 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -3.259 6.950 4.663 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -2.318 8.055 3.681 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -3.622 9.499 1.994 1.00 8.34 H new ATOM 0 HD2 PHE A 4 -5.492 7.415 5.211 1.00 6.69 H new ATOM 0 HE1 PHE A 4 -5.541 11.031 1.837 1.00 10.61 H new ATOM 0 HE2 PHE A 4 -7.351 9.023 5.106 1.00 9.10 H new ATOM 0 HZ PHE A 4 -7.334 10.884 3.528 1.00 8.90 H new ATOM 76 N VAL A 5 -1.156 5.852 1.855 1.00 4.44 N ATOM 77 CA VAL A 5 0.093 5.157 1.910 1.00 3.87 C ATOM 78 C VAL A 5 1.052 6.078 2.583 1.00 4.93 C ATOM 79 O VAL A 5 1.139 7.228 2.157 1.00 6.84 O ATOM 80 CB VAL A 5 0.674 4.594 0.647 1.00 2.99 C ATOM 81 CG1 VAL A 5 1.714 3.508 0.972 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.462 3.942 -0.159 1.00 9.13 C ATOM 0 H VAL A 5 -1.161 6.603 1.165 1.00 4.44 H new ATOM 0 HA VAL A 5 -0.107 4.234 2.454 1.00 3.87 H new ATOM 0 HB VAL A 5 1.152 5.396 0.085 1.00 2.99 H new ATOM 0 HG11 VAL A 5 2.126 3.110 0.045 1.00 5.28 H new ATOM 0 HG12 VAL A 5 2.517 3.940 1.570 1.00 5.28 H new ATOM 0 HG13 VAL A 5 1.237 2.704 1.532 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.060 3.526 -1.083 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -0.916 3.146 0.431 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -1.216 4.692 -0.397 1.00 9.13 H new ATOM 92 N LYS A 6 1.899 5.664 3.542 1.00 6.04 N ATOM 93 CA LYS A 6 2.910 6.525 4.073 1.00 6.12 C ATOM 94 C LYS A 6 4.232 5.849 4.206 1.00 6.57 C ATOM 95 O LYS A 6 4.341 4.686 4.593 1.00 5.76 O ATOM 96 CB LYS A 6 2.588 7.250 5.391 1.00 7.45 C ATOM 97 CG LYS A 6 1.297 8.068 5.337 1.00 11.12 C ATOM 98 CD LYS A 6 1.155 8.990 6.550 1.00 14.54 C ATOM 99 CE LYS A 6 -0.092 9.875 6.533 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.167 10.653 7.790 1.00 20.55 N ATOM 0 H LYS A 6 1.884 4.730 3.951 1.00 6.04 H new ATOM 0 HA LYS A 6 2.949 7.302 3.309 1.00 6.12 H new ATOM 0 HB2 LYS A 6 2.510 6.514 6.191 1.00 7.45 H new ATOM 0 HB3 LYS A 6 3.417 7.910 5.645 1.00 7.45 H new ATOM 0 HG2 LYS A 6 1.283 8.664 4.424 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.442 7.394 5.291 1.00 11.12 H new ATOM 0 HD2 LYS A 6 1.140 8.381 7.454 1.00 14.54 H new ATOM 0 HD3 LYS A 6 2.037 9.628 6.610 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.060 10.550 5.678 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.985 9.260 6.420 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.016 11.254 7.776 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.217 10.001 8.599 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.679 11.251 7.879 1.00 20.55 H new ATOM 114 N THR A 7 5.264 6.595 3.774 1.00 7.41 N ATOM 115 CA THR A 7 6.598 6.123 3.985 1.00 7.48 C ATOM 116 C THR A 7 7.087 6.322 5.378 1.00 8.75 C ATOM 117 O THR A 7 6.416 6.857 6.260 1.00 8.58 O ATOM 118 CB THR A 7 7.572 6.865 3.119 1.00 9.61 C ATOM 119 OG1 THR A 7 7.743 8.256 3.347 1.00 11.78 O ATOM 120 CG2 THR A 7 7.125 6.853 1.647 1.00 9.17 C ATOM 0 H THR A 7 5.183 7.492 3.296 1.00 7.41 H new ATOM 0 HA THR A 7 6.548 5.059 3.752 1.00 7.48 H new ATOM 0 HB THR A 7 8.490 6.331 3.364 1.00 9.61 H new ATOM 0 HG1 THR A 7 8.404 8.612 2.717 1.00 11.78 H new ATOM 0 HG21 THR A 7 7.850 7.398 1.042 1.00 9.17 H new ATOM 0 HG22 THR A 7 7.060 5.823 1.295 1.00 9.17 H new ATOM 0 HG23 THR A 7 6.148 7.329 1.559 1.00 9.17 H new ATOM 128 N LEU A 8 8.273 5.787 5.720 1.00 9.84 N ATOM 129 CA LEU A 8 8.723 5.806 7.077 1.00 14.15 C ATOM 130 C LEU A 8 9.143 7.165 7.520 1.00 17.37 C ATOM 131 O LEU A 8 8.968 7.528 8.682 1.00 17.01 O ATOM 132 CB LEU A 8 9.895 4.819 7.206 1.00 16.63 C ATOM 133 CG LEU A 8 9.525 3.329 7.112 1.00 18.88 C ATOM 134 CD1 LEU A 8 10.756 2.408 7.092 1.00 18.59 C ATOM 135 CD2 LEU A 8 8.566 2.827 8.205 1.00 19.31 C ATOM 0 H LEU A 8 8.916 5.345 5.063 1.00 9.84 H new ATOM 0 HA LEU A 8 7.894 5.514 7.722 1.00 14.15 H new ATOM 0 HB2 LEU A 8 10.623 5.044 6.426 1.00 16.63 H new ATOM 0 HB3 LEU A 8 10.389 4.992 8.162 1.00 16.63 H new ATOM 0 HG LEU A 8 9.000 3.274 6.158 1.00 18.88 H new ATOM 0 HD11 LEU A 8 10.432 1.369 7.025 1.00 18.59 H new ATOM 0 HD12 LEU A 8 11.378 2.651 6.230 1.00 18.59 H new ATOM 0 HD13 LEU A 8 11.332 2.550 8.007 1.00 18.59 H new ATOM 0 HD21 LEU A 8 8.365 1.766 8.054 1.00 19.31 H new ATOM 0 HD22 LEU A 8 9.022 2.974 9.184 1.00 19.31 H new ATOM 0 HD23 LEU A 8 7.631 3.384 8.153 1.00 19.31 H new ATOM 147 N THR A 9 9.622 8.076 6.653 1.00 18.33 N ATOM 148 CA THR A 9 9.761 9.461 6.980 1.00 19.24 C ATOM 149 C THR A 9 8.425 10.121 6.976 1.00 19.48 C ATOM 150 O THR A 9 8.216 10.983 7.829 1.00 23.14 O ATOM 151 CB THR A 9 10.691 10.293 6.148 1.00 18.97 C ATOM 152 OG1 THR A 9 10.460 10.173 4.753 1.00 20.24 O ATOM 153 CG2 THR A 9 12.201 10.034 6.280 1.00 19.70 C ATOM 0 H THR A 9 9.919 7.845 5.705 1.00 18.33 H new ATOM 0 HA THR A 9 10.229 9.425 7.964 1.00 19.24 H new ATOM 0 HB THR A 9 10.450 11.272 6.563 1.00 18.97 H new ATOM 0 HG1 THR A 9 11.095 10.739 4.266 1.00 20.24 H new ATOM 0 HG21 THR A 9 12.745 10.709 5.620 1.00 19.70 H new ATOM 0 HG22 THR A 9 12.511 10.206 7.311 1.00 19.70 H new ATOM 0 HG23 THR A 9 12.419 9.002 6.003 1.00 19.70 H new ATOM 161 N GLY A 10 7.483 9.771 6.083 1.00 19.43 N ATOM 162 CA GLY A 10 6.118 10.198 6.099 1.00 18.74 C ATOM 163 C GLY A 10 5.514 10.879 4.920 1.00 17.62 C ATOM 164 O GLY A 10 4.805 11.883 4.975 1.00 19.74 O ATOM 0 H GLY A 10 7.688 9.150 5.300 1.00 19.43 H new ATOM 0 HA2 GLY A 10 5.510 9.317 6.305 1.00 18.74 H new ATOM 0 HA3 GLY A 10 6.004 10.870 6.949 1.00 18.74 H new ATOM 168 N LYS A 11 5.848 10.333 3.737 1.00 13.56 N ATOM 169 CA LYS A 11 5.307 10.803 2.499 1.00 11.91 C ATOM 170 C LYS A 11 4.034 10.165 2.063 1.00 10.18 C ATOM 171 O LYS A 11 4.020 8.966 1.788 1.00 9.10 O ATOM 172 CB LYS A 11 6.389 10.663 1.415 1.00 13.43 C ATOM 173 CG LYS A 11 6.090 11.309 0.061 1.00 16.69 C ATOM 174 CD LYS A 11 7.197 10.986 -0.944 1.00 17.92 C ATOM 175 CE LYS A 11 7.141 11.747 -2.270 1.00 20.81 C ATOM 176 NZ LYS A 11 5.858 11.565 -2.985 1.00 21.93 N ATOM 0 H LYS A 11 6.501 9.556 3.638 1.00 13.56 H new ATOM 0 HA LYS A 11 5.028 11.844 2.661 1.00 11.91 H new ATOM 0 HB2 LYS A 11 7.314 11.092 1.800 1.00 13.43 H new ATOM 0 HB3 LYS A 11 6.573 9.601 1.253 1.00 13.43 H new ATOM 0 HG2 LYS A 11 5.132 10.950 -0.316 1.00 16.69 H new ATOM 0 HG3 LYS A 11 6.001 12.389 0.179 1.00 16.69 H new ATOM 0 HD2 LYS A 11 8.159 11.188 -0.472 1.00 17.92 H new ATOM 0 HD3 LYS A 11 7.165 9.918 -1.159 1.00 17.92 H new ATOM 0 HE2 LYS A 11 7.298 12.809 -2.081 1.00 20.81 H new ATOM 0 HE3 LYS A 11 7.958 11.413 -2.910 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 5.942 11.943 -3.950 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 5.626 10.552 -3.029 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 5.104 12.072 -2.479 1.00 21.93 H new ATOM 190 N THR A 12 2.917 10.909 1.976 1.00 9.63 N ATOM 191 CA THR A 12 1.563 10.461 1.865 1.00 9.85 C ATOM 192 C THR A 12 1.216 10.371 0.419 1.00 11.66 C ATOM 193 O THR A 12 1.170 11.345 -0.330 1.00 12.33 O ATOM 194 CB THR A 12 0.521 11.383 2.425 1.00 10.85 C ATOM 195 OG1 THR A 12 0.918 11.766 3.734 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.803 10.625 2.615 1.00 9.63 C ATOM 0 H THR A 12 2.970 11.928 1.984 1.00 9.63 H new ATOM 0 HA THR A 12 1.543 9.526 2.425 1.00 9.85 H new ATOM 0 HB THR A 12 0.407 12.229 1.747 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.248 12.371 4.115 1.00 10.91 H new ATOM 0 HG21 THR A 12 -1.554 11.302 3.022 1.00 9.63 H new ATOM 0 HG22 THR A 12 -1.143 10.241 1.653 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.651 9.795 3.304 1.00 9.63 H new ATOM 204 N ILE A 13 0.971 9.133 -0.045 1.00 10.42 N ATOM 205 CA ILE A 13 0.471 8.876 -1.360 1.00 11.84 C ATOM 206 C ILE A 13 -0.965 8.513 -1.199 1.00 10.55 C ATOM 207 O ILE A 13 -1.321 7.420 -0.761 1.00 11.92 O ATOM 208 CB ILE A 13 1.247 7.731 -1.941 1.00 14.86 C ATOM 209 CG1 ILE A 13 2.759 7.993 -2.038 1.00 14.87 C ATOM 210 CG2 ILE A 13 0.766 7.259 -3.324 1.00 17.08 C ATOM 211 CD1 ILE A 13 3.489 6.651 -2.004 1.00 16.46 C ATOM 0 H ILE A 13 1.124 8.289 0.507 1.00 10.42 H new ATOM 0 HA ILE A 13 0.572 9.734 -2.024 1.00 11.84 H new ATOM 0 HB ILE A 13 1.053 6.940 -1.216 1.00 14.86 H new ATOM 0 HG12 ILE A 13 2.992 8.527 -2.959 1.00 14.87 H new ATOM 0 HG13 ILE A 13 3.088 8.624 -1.212 1.00 14.87 H new ATOM 0 HG21 ILE A 13 1.387 6.429 -3.662 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.271 6.932 -3.256 1.00 17.08 H new ATOM 0 HG23 ILE A 13 0.841 8.081 -4.036 1.00 17.08 H new ATOM 0 HD11 ILE A 13 4.564 6.820 -2.072 1.00 16.46 H new ATOM 0 HD12 ILE A 13 3.261 6.136 -1.071 1.00 16.46 H new ATOM 0 HD13 ILE A 13 3.164 6.039 -2.845 1.00 16.46 H new ATOM 223 N THR A 14 -1.873 9.457 -1.503 1.00 9.39 N ATOM 224 CA THR A 14 -3.275 9.175 -1.469 1.00 9.63 C ATOM 225 C THR A 14 -3.861 8.618 -2.720 1.00 11.20 C ATOM 226 O THR A 14 -3.856 9.223 -3.791 1.00 11.63 O ATOM 227 CB THR A 14 -4.016 10.458 -1.239 1.00 10.38 C ATOM 228 OG1 THR A 14 -3.371 11.184 -0.202 1.00 16.30 O ATOM 229 CG2 THR A 14 -5.488 10.235 -0.853 1.00 11.66 C ATOM 0 H THR A 14 -1.638 10.413 -1.772 1.00 9.39 H new ATOM 0 HA THR A 14 -3.377 8.425 -0.685 1.00 9.63 H new ATOM 0 HB THR A 14 -4.006 11.013 -2.177 1.00 10.38 H new ATOM 0 HG1 THR A 14 -3.795 10.975 0.656 1.00 16.30 H new ATOM 0 HG21 THR A 14 -5.974 11.199 -0.699 1.00 11.66 H new ATOM 0 HG22 THR A 14 -5.996 9.696 -1.653 1.00 11.66 H new ATOM 0 HG23 THR A 14 -5.539 9.652 0.067 1.00 11.66 H new ATOM 237 N LEU A 15 -4.333 7.367 -2.580 1.00 8.29 N ATOM 238 CA LEU A 15 -4.837 6.615 -3.687 1.00 9.03 C ATOM 239 C LEU A 15 -6.230 6.108 -3.534 1.00 8.59 C ATOM 240 O LEU A 15 -6.608 5.895 -2.383 1.00 7.79 O ATOM 241 CB LEU A 15 -4.011 5.325 -3.828 1.00 11.08 C ATOM 242 CG LEU A 15 -2.498 5.503 -4.035 1.00 15.79 C ATOM 243 CD1 LEU A 15 -1.721 4.185 -3.872 1.00 15.27 C ATOM 244 CD2 LEU A 15 -2.125 6.186 -5.362 1.00 15.88 C ATOM 0 H LEU A 15 -4.366 6.871 -1.689 1.00 8.29 H new ATOM 0 HA LEU A 15 -4.789 7.311 -4.524 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -4.165 4.721 -2.934 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -4.407 4.756 -4.669 1.00 11.08 H new ATOM 0 HG LEU A 15 -2.194 6.181 -3.237 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.658 4.368 -4.028 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -1.878 3.792 -2.867 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -2.076 3.460 -4.605 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -1.041 6.275 -5.433 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -2.496 5.589 -6.195 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -2.574 7.179 -5.399 1.00 15.88 H new ATOM 256 N GLU A 16 -6.988 5.922 -4.629 1.00 11.04 N ATOM 257 CA GLU A 16 -8.304 5.366 -4.563 1.00 11.50 C ATOM 258 C GLU A 16 -8.237 3.894 -4.777 1.00 10.13 C ATOM 259 O GLU A 16 -7.491 3.408 -5.626 1.00 9.83 O ATOM 260 CB GLU A 16 -9.212 5.999 -5.631 1.00 17.22 C ATOM 261 CG GLU A 16 -9.335 7.491 -5.318 1.00 23.33 C ATOM 262 CD GLU A 16 -10.499 8.140 -6.052 1.00 26.99 C ATOM 263 OE1 GLU A 16 -11.700 7.824 -5.838 1.00 28.86 O ATOM 264 OE2 GLU A 16 -10.217 9.112 -6.802 1.00 28.90 O ATOM 0 H GLU A 16 -6.684 6.161 -5.573 1.00 11.04 H new ATOM 0 HA GLU A 16 -8.721 5.576 -3.578 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -8.792 5.851 -6.626 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -10.194 5.526 -5.626 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -9.465 7.625 -4.244 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -8.408 7.995 -5.592 1.00 23.33 H new ATOM 271 N VAL A 17 -9.006 3.104 -4.007 1.00 8.99 N ATOM 272 CA VAL A 17 -9.176 1.706 -4.257 1.00 8.85 C ATOM 273 C VAL A 17 -10.582 1.393 -3.878 1.00 8.04 C ATOM 274 O VAL A 17 -11.274 2.203 -3.264 1.00 8.99 O ATOM 275 CB VAL A 17 -8.441 0.837 -3.280 1.00 9.78 C ATOM 276 CG1 VAL A 17 -7.027 0.605 -3.837 1.00 12.05 C ATOM 277 CG2 VAL A 17 -8.490 1.343 -1.829 1.00 10.54 C ATOM 0 H VAL A 17 -9.520 3.443 -3.194 1.00 8.99 H new ATOM 0 HA VAL A 17 -8.858 1.527 -5.284 1.00 8.85 H new ATOM 0 HB VAL A 17 -8.946 -0.125 -3.191 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -6.464 -0.025 -3.149 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -7.094 0.113 -4.807 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -6.519 1.563 -3.950 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -7.935 0.659 -1.186 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -8.043 2.336 -1.774 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -9.527 1.393 -1.496 1.00 10.54 H new ATOM 287 N GLU A 18 -11.071 0.248 -4.387 1.00 7.29 N ATOM 288 CA GLU A 18 -12.259 -0.327 -3.838 1.00 7.08 C ATOM 289 C GLU A 18 -11.828 -1.472 -2.989 1.00 6.45 C ATOM 290 O GLU A 18 -10.695 -1.900 -3.206 1.00 5.28 O ATOM 291 CB GLU A 18 -13.140 -0.844 -4.987 1.00 10.28 C ATOM 292 CG GLU A 18 -13.982 0.196 -5.729 1.00 12.65 C ATOM 293 CD GLU A 18 -14.818 0.994 -4.738 1.00 14.15 C ATOM 294 OE1 GLU A 18 -15.555 0.262 -4.025 1.00 14.33 O ATOM 295 OE2 GLU A 18 -14.743 2.250 -4.673 1.00 18.17 O ATOM 0 H GLU A 18 -10.655 -0.270 -5.161 1.00 7.29 H new ATOM 0 HA GLU A 18 -12.826 0.401 -3.257 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -12.496 -1.341 -5.713 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -13.812 -1.602 -4.586 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -13.333 0.866 -6.292 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -14.632 -0.299 -6.450 1.00 12.65 H new ATOM 302 N PRO A 19 -12.583 -2.079 -2.122 1.00 7.24 N ATOM 303 CA PRO A 19 -12.064 -3.149 -1.321 1.00 7.07 C ATOM 304 C PRO A 19 -11.977 -4.471 -2.002 1.00 6.65 C ATOM 305 O PRO A 19 -11.312 -5.315 -1.403 1.00 6.37 O ATOM 306 CB PRO A 19 -12.889 -3.174 -0.036 1.00 7.61 C ATOM 307 CG PRO A 19 -14.246 -2.663 -0.545 1.00 8.16 C ATOM 308 CD PRO A 19 -13.848 -1.603 -1.584 1.00 7.49 C ATOM 0 HA PRO A 19 -11.014 -2.953 -1.104 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -12.959 -4.175 0.389 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -12.469 -2.529 0.736 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -14.837 -3.463 -0.991 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -14.844 -2.235 0.260 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -14.602 -1.510 -2.366 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -13.740 -0.619 -1.127 1.00 7.49 H new ATOM 316 N SER A 20 -12.578 -4.543 -3.203 1.00 6.80 N ATOM 317 CA SER A 20 -12.455 -5.629 -4.126 1.00 6.28 C ATOM 318 C SER A 20 -11.222 -5.444 -4.941 1.00 8.45 C ATOM 319 O SER A 20 -10.739 -6.440 -5.479 1.00 7.26 O ATOM 320 CB SER A 20 -13.691 -5.796 -5.026 1.00 8.57 C ATOM 321 OG SER A 20 -13.973 -4.621 -5.772 1.00 11.13 O ATOM 0 H SER A 20 -13.185 -3.800 -3.550 1.00 6.80 H new ATOM 0 HA SER A 20 -12.382 -6.550 -3.547 1.00 6.28 H new ATOM 0 HB2 SER A 20 -13.530 -6.629 -5.710 1.00 8.57 H new ATOM 0 HB3 SER A 20 -14.554 -6.050 -4.411 1.00 8.57 H new ATOM 0 HG SER A 20 -14.764 -4.770 -6.331 1.00 11.13 H new ATOM 327 N ASP A 21 -10.664 -4.222 -5.009 1.00 7.50 N ATOM 328 CA ASP A 21 -9.347 -4.104 -5.554 1.00 7.70 C ATOM 329 C ASP A 21 -8.300 -4.851 -4.801 1.00 7.08 C ATOM 330 O ASP A 21 -8.374 -5.051 -3.590 1.00 8.11 O ATOM 331 CB ASP A 21 -8.863 -2.653 -5.708 1.00 11.00 C ATOM 332 CG ASP A 21 -9.777 -1.793 -6.570 1.00 15.32 C ATOM 333 OD1 ASP A 21 -10.511 -2.344 -7.433 1.00 18.03 O ATOM 334 OD2 ASP A 21 -9.799 -0.535 -6.508 1.00 14.36 O ATOM 0 H ASP A 21 -11.100 -3.352 -4.702 1.00 7.50 H new ATOM 0 HA ASP A 21 -9.468 -4.555 -6.539 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -8.778 -2.201 -4.720 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -7.864 -2.657 -6.144 1.00 11.00 H new ATOM 339 N THR A 22 -7.222 -5.343 -5.438 1.00 5.37 N ATOM 340 CA THR A 22 -6.050 -5.938 -4.876 1.00 6.01 C ATOM 341 C THR A 22 -5.044 -4.995 -4.310 1.00 8.01 C ATOM 342 O THR A 22 -5.165 -3.771 -4.341 1.00 8.11 O ATOM 343 CB THR A 22 -5.444 -7.003 -5.741 1.00 8.92 C ATOM 344 OG1 THR A 22 -4.894 -6.430 -6.918 1.00 10.22 O ATOM 345 CG2 THR A 22 -6.598 -7.961 -6.082 1.00 9.65 C ATOM 0 H THR A 22 -7.170 -5.320 -6.456 1.00 5.37 H new ATOM 0 HA THR A 22 -6.438 -6.445 -3.993 1.00 6.01 H new ATOM 0 HB THR A 22 -4.630 -7.524 -5.238 1.00 8.92 H new ATOM 0 HG1 THR A 22 -4.500 -7.136 -7.472 1.00 10.22 H new ATOM 0 HG21 THR A 22 -6.227 -8.767 -6.714 1.00 9.65 H new ATOM 0 HG22 THR A 22 -7.007 -8.380 -5.163 1.00 9.65 H new ATOM 0 HG23 THR A 22 -7.379 -7.416 -6.611 1.00 9.65 H new ATOM 353 N ILE A 23 -3.969 -5.491 -3.672 1.00 8.32 N ATOM 354 CA ILE A 23 -2.934 -4.771 -2.997 1.00 9.92 C ATOM 355 C ILE A 23 -1.823 -4.558 -3.966 1.00 10.01 C ATOM 356 O ILE A 23 -0.966 -3.697 -3.773 1.00 8.71 O ATOM 357 CB ILE A 23 -2.579 -5.630 -1.819 1.00 10.78 C ATOM 358 CG1 ILE A 23 -3.622 -5.504 -0.696 1.00 11.38 C ATOM 359 CG2 ILE A 23 -1.236 -5.255 -1.172 1.00 10.90 C ATOM 360 CD1 ILE A 23 -3.416 -6.406 0.521 1.00 12.30 C ATOM 0 H ILE A 23 -3.811 -6.498 -3.626 1.00 8.32 H new ATOM 0 HA ILE A 23 -3.209 -3.779 -2.638 1.00 9.92 H new ATOM 0 HB ILE A 23 -2.533 -6.638 -2.230 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -3.636 -4.468 -0.356 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -4.605 -5.715 -1.116 1.00 11.38 H new ATOM 0 HG21 ILE A 23 -1.042 -5.916 -0.327 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.437 -5.360 -1.906 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -1.276 -4.223 -0.824 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -4.212 -6.228 1.244 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -3.437 -7.450 0.208 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -2.453 -6.184 0.980 1.00 12.30 H new ATOM 372 N GLU A 24 -1.788 -5.318 -5.075 1.00 9.54 N ATOM 373 CA GLU A 24 -0.957 -5.268 -6.238 1.00 11.81 C ATOM 374 C GLU A 24 -1.380 -4.082 -7.034 1.00 11.14 C ATOM 375 O GLU A 24 -0.526 -3.288 -7.425 1.00 10.62 O ATOM 376 CB GLU A 24 -1.083 -6.533 -7.104 1.00 19.24 C ATOM 377 CG GLU A 24 -0.100 -6.773 -8.251 1.00 27.76 C ATOM 378 CD GLU A 24 -0.465 -7.873 -9.237 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.645 -7.889 -9.678 1.00 34.80 O ATOM 380 OE2 GLU A 24 0.421 -8.692 -9.600 1.00 36.51 O ATOM 0 H GLU A 24 -2.451 -6.088 -5.162 1.00 9.54 H new ATOM 0 HA GLU A 24 0.085 -5.201 -5.925 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -1.018 -7.392 -6.436 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -2.086 -6.536 -7.530 1.00 19.24 H new ATOM 0 HG2 GLU A 24 0.012 -5.841 -8.805 1.00 27.76 H new ATOM 0 HG3 GLU A 24 0.874 -7.008 -7.822 1.00 27.76 H new ATOM 387 N ASN A 25 -2.702 -3.850 -7.119 1.00 9.43 N ATOM 388 CA ASN A 25 -3.426 -2.718 -7.610 1.00 10.96 C ATOM 389 C ASN A 25 -2.960 -1.438 -7.005 1.00 9.68 C ATOM 390 O ASN A 25 -2.611 -0.546 -7.777 1.00 9.33 O ATOM 391 CB ASN A 25 -4.947 -2.806 -7.404 1.00 16.78 C ATOM 392 CG ASN A 25 -5.593 -1.763 -8.305 1.00 22.31 C ATOM 393 OD1 ASN A 25 -5.712 -0.573 -8.016 1.00 25.66 O ATOM 394 ND2 ASN A 25 -5.965 -2.224 -9.529 1.00 24.70 N ATOM 0 H ASN A 25 -3.353 -4.565 -6.794 1.00 9.43 H new ATOM 0 HA ASN A 25 -3.219 -2.730 -8.680 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -5.310 -3.804 -7.651 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -5.204 -2.623 -6.361 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -6.348 -1.581 -10.221 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -5.861 -3.213 -9.755 1.00 24.70 H new ATOM 401 N VAL A 26 -2.847 -1.371 -5.667 1.00 6.52 N ATOM 402 CA VAL A 26 -2.278 -0.259 -4.968 1.00 5.53 C ATOM 403 C VAL A 26 -0.883 0.046 -5.393 1.00 4.42 C ATOM 404 O VAL A 26 -0.610 1.181 -5.780 1.00 3.40 O ATOM 405 CB VAL A 26 -2.310 -0.521 -3.492 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.704 0.551 -2.571 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.775 -0.732 -3.073 1.00 8.12 C ATOM 0 H VAL A 26 -3.163 -2.118 -5.048 1.00 6.52 H new ATOM 0 HA VAL A 26 -2.883 0.614 -5.214 1.00 5.53 H new ATOM 0 HB VAL A 26 -1.672 -1.394 -3.358 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -1.795 0.232 -1.533 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.651 0.690 -2.817 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -2.236 1.492 -2.709 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -3.823 -0.925 -2.001 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -4.353 0.162 -3.307 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -4.189 -1.583 -3.613 1.00 8.12 H new ATOM 417 N LYS A 27 0.025 -0.946 -5.394 1.00 2.64 N ATOM 418 CA LYS A 27 1.409 -0.831 -5.737 1.00 4.14 C ATOM 419 C LYS A 27 1.577 -0.484 -7.176 1.00 5.58 C ATOM 420 O LYS A 27 2.573 0.135 -7.546 1.00 4.11 O ATOM 421 CB LYS A 27 2.114 -2.176 -5.497 1.00 3.97 C ATOM 422 CG LYS A 27 2.211 -2.521 -4.009 1.00 7.45 C ATOM 423 CD LYS A 27 2.987 -3.819 -3.777 1.00 9.02 C ATOM 424 CE LYS A 27 2.997 -4.364 -2.347 1.00 12.90 C ATOM 425 NZ LYS A 27 3.673 -5.680 -2.392 1.00 15.47 N ATOM 0 H LYS A 27 -0.228 -1.900 -5.135 1.00 2.64 H new ATOM 0 HA LYS A 27 1.840 -0.045 -5.117 1.00 4.14 H new ATOM 0 HB2 LYS A 27 1.572 -2.966 -6.017 1.00 3.97 H new ATOM 0 HB3 LYS A 27 3.115 -2.141 -5.926 1.00 3.97 H new ATOM 0 HG2 LYS A 27 2.700 -1.705 -3.478 1.00 7.45 H new ATOM 0 HG3 LYS A 27 1.209 -2.617 -3.592 1.00 7.45 H new ATOM 0 HD2 LYS A 27 2.572 -4.586 -4.431 1.00 9.02 H new ATOM 0 HD3 LYS A 27 4.019 -3.659 -4.088 1.00 9.02 H new ATOM 0 HE2 LYS A 27 3.523 -3.683 -1.678 1.00 12.90 H new ATOM 0 HE3 LYS A 27 1.981 -4.465 -1.965 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 3.265 -6.305 -1.668 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 3.541 -6.106 -3.332 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 4.689 -5.555 -2.208 1.00 15.47 H new ATOM 439 N ALA A 28 0.617 -0.919 -8.011 1.00 6.61 N ATOM 440 CA ALA A 28 0.748 -0.487 -9.368 1.00 7.74 C ATOM 441 C ALA A 28 0.464 0.950 -9.640 1.00 9.17 C ATOM 442 O ALA A 28 1.047 1.538 -10.550 1.00 11.45 O ATOM 443 CB ALA A 28 -0.097 -1.448 -10.222 1.00 7.68 C ATOM 0 H ALA A 28 -0.179 -1.514 -7.781 1.00 6.61 H new ATOM 0 HA ALA A 28 1.803 -0.535 -9.636 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -0.029 -1.158 -11.271 1.00 7.68 H new ATOM 0 HB2 ALA A 28 0.276 -2.465 -10.102 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.137 -1.402 -9.900 1.00 7.68 H new ATOM 449 N LYS A 29 -0.383 1.620 -8.839 1.00 8.96 N ATOM 450 CA LYS A 29 -0.457 3.044 -8.942 1.00 7.90 C ATOM 451 C LYS A 29 0.714 3.789 -8.399 1.00 6.92 C ATOM 452 O LYS A 29 0.962 4.936 -8.768 1.00 6.87 O ATOM 453 CB LYS A 29 -1.610 3.583 -8.080 1.00 10.28 C ATOM 454 CG LYS A 29 -2.819 2.661 -8.251 1.00 14.94 C ATOM 455 CD LYS A 29 -4.108 3.360 -7.813 1.00 19.69 C ATOM 456 CE LYS A 29 -5.408 2.656 -8.206 1.00 22.63 C ATOM 457 NZ LYS A 29 -6.500 3.653 -8.132 1.00 24.98 N ATOM 0 H LYS A 29 -0.996 1.195 -8.144 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.551 3.201 -10.017 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -1.312 3.625 -7.033 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -1.864 4.600 -8.380 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -2.903 2.355 -9.294 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -2.675 1.754 -7.664 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -4.089 3.471 -6.729 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -4.117 4.364 -8.236 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -5.332 2.246 -9.213 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -5.608 1.820 -7.536 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -7.327 3.302 -8.657 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -6.762 3.808 -7.137 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -6.180 4.550 -8.550 1.00 24.98 H new ATOM 471 N ILE A 30 1.516 3.129 -7.545 1.00 4.57 N ATOM 472 CA ILE A 30 2.762 3.693 -7.126 1.00 5.58 C ATOM 473 C ILE A 30 3.809 3.611 -8.183 1.00 7.26 C ATOM 474 O ILE A 30 4.653 4.501 -8.279 1.00 9.46 O ATOM 475 CB ILE A 30 3.168 3.130 -5.797 1.00 5.36 C ATOM 476 CG1 ILE A 30 2.112 3.404 -4.713 1.00 2.94 C ATOM 477 CG2 ILE A 30 4.500 3.791 -5.405 1.00 2.78 C ATOM 478 CD1 ILE A 30 2.504 3.148 -3.258 1.00 2.00 C ATOM 0 H ILE A 30 1.305 2.214 -7.148 1.00 4.57 H new ATOM 0 HA ILE A 30 2.629 4.764 -6.975 1.00 5.58 H new ATOM 0 HB ILE A 30 3.268 2.048 -5.878 1.00 5.36 H new ATOM 0 HG12 ILE A 30 1.806 4.446 -4.799 1.00 2.94 H new ATOM 0 HG13 ILE A 30 1.236 2.795 -4.936 1.00 2.94 H new ATOM 0 HG21 ILE A 30 4.828 3.405 -4.440 1.00 2.78 H new ATOM 0 HG22 ILE A 30 5.253 3.567 -6.160 1.00 2.78 H new ATOM 0 HG23 ILE A 30 4.364 4.870 -5.337 1.00 2.78 H new ATOM 0 HD11 ILE A 30 1.662 3.384 -2.607 1.00 2.00 H new ATOM 0 HD12 ILE A 30 2.776 2.100 -3.133 1.00 2.00 H new ATOM 0 HD13 ILE A 30 3.354 3.777 -2.994 1.00 2.00 H new ATOM 490 N GLN A 31 3.730 2.609 -9.077 1.00 7.06 N ATOM 491 CA GLN A 31 4.384 2.611 -10.349 1.00 8.67 C ATOM 492 C GLN A 31 4.150 3.804 -11.210 1.00 10.90 C ATOM 493 O GLN A 31 5.056 4.314 -11.868 1.00 9.63 O ATOM 494 CB GLN A 31 4.234 1.209 -10.963 1.00 9.12 C ATOM 495 CG GLN A 31 5.195 0.983 -12.131 1.00 10.76 C ATOM 496 CD GLN A 31 5.134 -0.433 -12.686 1.00 13.78 C ATOM 497 OE1 GLN A 31 6.052 -1.211 -12.434 1.00 14.48 O ATOM 498 NE2 GLN A 31 4.165 -0.724 -13.595 1.00 14.76 N ATOM 0 H GLN A 31 3.188 1.762 -8.906 1.00 7.06 H new ATOM 0 HA GLN A 31 5.453 2.779 -10.217 1.00 8.67 H new ATOM 0 HB2 GLN A 31 4.415 0.457 -10.195 1.00 9.12 H new ATOM 0 HB3 GLN A 31 3.209 1.073 -11.307 1.00 9.12 H new ATOM 0 HG2 GLN A 31 4.963 1.690 -12.928 1.00 10.76 H new ATOM 0 HG3 GLN A 31 6.213 1.195 -11.803 1.00 10.76 H new ATOM 0 HE21 GLN A 31 3.419 -0.053 -13.777 1.00 14.76 H new ATOM 0 HE22 GLN A 31 4.184 -1.613 -14.094 1.00 14.76 H new ATOM 507 N ASP A 32 2.886 4.260 -11.265 1.00 10.93 N ATOM 508 CA ASP A 32 2.434 5.365 -12.053 1.00 14.01 C ATOM 509 C ASP A 32 2.801 6.649 -11.393 1.00 14.04 C ATOM 510 O ASP A 32 3.366 7.530 -12.039 1.00 13.39 O ATOM 511 CB ASP A 32 0.919 5.396 -12.316 1.00 18.01 C ATOM 512 CG ASP A 32 0.481 4.223 -13.182 1.00 24.33 C ATOM 513 OD1 ASP A 32 0.984 3.996 -14.314 1.00 25.17 O ATOM 514 OD2 ASP A 32 -0.319 3.473 -12.561 1.00 26.29 O ATOM 0 H ASP A 32 2.134 3.831 -10.726 1.00 10.93 H new ATOM 0 HA ASP A 32 2.929 5.237 -13.016 1.00 14.01 H new ATOM 0 HB2 ASP A 32 0.383 5.370 -11.367 1.00 18.01 H new ATOM 0 HB3 ASP A 32 0.653 6.332 -12.807 1.00 18.01 H new ATOM 519 N LYS A 33 2.546 6.879 -10.092 1.00 14.22 N ATOM 520 CA LYS A 33 2.927 8.140 -9.534 1.00 14.00 C ATOM 521 C LYS A 33 4.351 8.358 -9.151 1.00 12.37 C ATOM 522 O LYS A 33 4.976 9.323 -9.586 1.00 12.17 O ATOM 523 CB LYS A 33 2.021 8.577 -8.371 1.00 18.62 C ATOM 524 CG LYS A 33 0.530 8.356 -8.636 1.00 24.00 C ATOM 525 CD LYS A 33 -0.367 8.905 -7.525 1.00 27.61 C ATOM 526 CE LYS A 33 -0.314 10.399 -7.201 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.715 11.227 -8.361 1.00 30.06 N ATOM 0 H LYS A 33 2.097 6.225 -9.451 1.00 14.22 H new ATOM 0 HA LYS A 33 2.787 8.774 -10.410 1.00 14.00 H new ATOM 0 HB2 LYS A 33 2.307 8.028 -7.474 1.00 18.62 H new ATOM 0 HB3 LYS A 33 2.192 9.634 -8.166 1.00 18.62 H new ATOM 0 HG2 LYS A 33 0.261 8.831 -9.579 1.00 24.00 H new ATOM 0 HG3 LYS A 33 0.342 7.289 -8.752 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.397 8.660 -7.783 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -0.129 8.361 -6.611 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.971 10.612 -6.358 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.696 10.669 -6.894 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.666 12.233 -8.103 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.072 11.043 -9.158 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.688 10.988 -8.639 1.00 30.06 H new ATOM 541 N GLU A 34 4.875 7.516 -8.242 1.00 10.11 N ATOM 542 CA GLU A 34 6.209 7.634 -7.742 1.00 10.07 C ATOM 543 C GLU A 34 7.249 7.197 -8.716 1.00 9.32 C ATOM 544 O GLU A 34 8.247 7.890 -8.908 1.00 11.61 O ATOM 545 CB GLU A 34 6.472 7.093 -6.327 1.00 14.77 C ATOM 546 CG GLU A 34 5.557 7.689 -5.256 1.00 18.75 C ATOM 547 CD GLU A 34 5.966 9.089 -4.818 1.00 22.28 C ATOM 548 OE1 GLU A 34 5.596 10.123 -5.436 1.00 21.95 O ATOM 549 OE2 GLU A 34 6.544 9.154 -3.700 1.00 25.19 O ATOM 0 H GLU A 34 4.357 6.732 -7.844 1.00 10.11 H new ATOM 0 HA GLU A 34 6.304 8.713 -7.619 1.00 10.07 H new ATOM 0 HB2 GLU A 34 6.349 6.010 -6.334 1.00 14.77 H new ATOM 0 HB3 GLU A 34 7.509 7.295 -6.058 1.00 14.77 H new ATOM 0 HG2 GLU A 34 4.536 7.720 -5.638 1.00 18.75 H new ATOM 0 HG3 GLU A 34 5.552 7.032 -4.387 1.00 18.75 H new ATOM 556 N GLY A 35 7.041 6.058 -9.401 1.00 7.22 N ATOM 557 CA GLY A 35 7.948 5.359 -10.257 1.00 6.29 C ATOM 558 C GLY A 35 8.787 4.481 -9.394 1.00 6.93 C ATOM 559 O GLY A 35 10.012 4.577 -9.341 1.00 7.41 O ATOM 0 H GLY A 35 6.142 5.579 -9.347 1.00 7.22 H new ATOM 0 HA2 GLY A 35 7.403 4.767 -10.992 1.00 6.29 H new ATOM 0 HA3 GLY A 35 8.571 6.061 -10.811 1.00 6.29 H new ATOM 563 N ILE A 36 8.087 3.659 -8.592 1.00 5.86 N ATOM 564 CA ILE A 36 8.666 2.648 -7.763 1.00 6.07 C ATOM 565 C ILE A 36 8.065 1.401 -8.313 1.00 6.36 C ATOM 566 O ILE A 36 6.839 1.318 -8.257 1.00 6.18 O ATOM 567 CB ILE A 36 8.594 2.823 -6.275 1.00 7.47 C ATOM 568 CG1 ILE A 36 9.029 4.225 -5.815 1.00 8.52 C ATOM 569 CG2 ILE A 36 9.281 1.679 -5.511 1.00 7.36 C ATOM 570 CD1 ILE A 36 8.594 4.654 -4.414 1.00 9.49 C ATOM 0 H ILE A 36 7.071 3.701 -8.518 1.00 5.86 H new ATOM 0 HA ILE A 36 9.754 2.665 -7.818 1.00 6.07 H new ATOM 0 HB ILE A 36 7.539 2.754 -6.009 1.00 7.47 H new ATOM 0 HG12 ILE A 36 10.117 4.277 -5.864 1.00 8.52 H new ATOM 0 HG13 ILE A 36 8.642 4.952 -6.529 1.00 8.52 H new ATOM 0 HG21 ILE A 36 9.199 1.857 -4.439 1.00 7.36 H new ATOM 0 HG22 ILE A 36 8.799 0.734 -5.760 1.00 7.36 H new ATOM 0 HG23 ILE A 36 10.333 1.634 -5.792 1.00 7.36 H new ATOM 0 HD11 ILE A 36 8.963 5.659 -4.210 1.00 9.49 H new ATOM 0 HD12 ILE A 36 7.506 4.647 -4.353 1.00 9.49 H new ATOM 0 HD13 ILE A 36 9.003 3.962 -3.678 1.00 9.49 H new ATOM 582 N PRO A 37 8.779 0.433 -8.808 1.00 8.65 N ATOM 583 CA PRO A 37 8.102 -0.756 -9.238 1.00 9.18 C ATOM 584 C PRO A 37 7.600 -1.607 -8.123 1.00 9.85 C ATOM 585 O PRO A 37 8.151 -1.548 -7.026 1.00 8.51 O ATOM 586 CB PRO A 37 9.236 -1.513 -9.926 1.00 11.42 C ATOM 587 CG PRO A 37 9.916 -0.360 -10.681 1.00 9.27 C ATOM 588 CD PRO A 37 9.962 0.732 -9.600 1.00 8.33 C ATOM 0 HA PRO A 37 7.223 -0.518 -9.837 1.00 9.18 H new ATOM 0 HB2 PRO A 37 9.906 -1.996 -9.214 1.00 11.42 H new ATOM 0 HB3 PRO A 37 8.870 -2.290 -10.597 1.00 11.42 H new ATOM 0 HG2 PRO A 37 10.912 -0.631 -11.032 1.00 9.27 H new ATOM 0 HG3 PRO A 37 9.344 -0.048 -11.555 1.00 9.27 H new ATOM 0 HD2 PRO A 37 10.874 0.678 -9.005 1.00 8.33 H new ATOM 0 HD3 PRO A 37 9.921 1.733 -10.030 1.00 8.33 H new ATOM 596 N PRO A 38 6.595 -2.424 -8.236 1.00 8.71 N ATOM 597 CA PRO A 38 6.046 -3.118 -7.107 1.00 9.08 C ATOM 598 C PRO A 38 6.913 -4.077 -6.367 1.00 9.28 C ATOM 599 O PRO A 38 6.620 -4.402 -5.218 1.00 6.50 O ATOM 600 CB PRO A 38 4.824 -3.836 -7.675 1.00 10.31 C ATOM 601 CG PRO A 38 4.348 -2.862 -8.764 1.00 10.81 C ATOM 602 CD PRO A 38 5.692 -2.436 -9.376 1.00 12.00 C ATOM 0 HA PRO A 38 5.853 -2.378 -6.330 1.00 9.08 H new ATOM 0 HB2 PRO A 38 5.081 -4.812 -8.087 1.00 10.31 H new ATOM 0 HB3 PRO A 38 4.060 -4.001 -6.915 1.00 10.31 H new ATOM 0 HG2 PRO A 38 3.696 -3.343 -9.493 1.00 10.81 H new ATOM 0 HG3 PRO A 38 3.796 -2.018 -8.351 1.00 10.81 H new ATOM 0 HD2 PRO A 38 6.023 -3.136 -10.143 1.00 12.00 H new ATOM 0 HD3 PRO A 38 5.626 -1.455 -9.846 1.00 12.00 H new ATOM 610 N ASP A 39 8.035 -4.498 -6.979 1.00 11.20 N ATOM 611 CA ASP A 39 8.883 -5.498 -6.409 1.00 14.96 C ATOM 612 C ASP A 39 9.714 -4.956 -5.298 1.00 13.99 C ATOM 613 O ASP A 39 9.970 -5.708 -4.358 1.00 13.75 O ATOM 614 CB ASP A 39 9.837 -6.032 -7.491 1.00 24.16 C ATOM 615 CG ASP A 39 10.666 -7.246 -7.094 1.00 31.06 C ATOM 616 OD1 ASP A 39 9.925 -8.198 -6.730 1.00 35.55 O ATOM 617 OD2 ASP A 39 11.913 -7.197 -7.268 1.00 34.22 O ATOM 0 H ASP A 39 8.357 -4.141 -7.879 1.00 11.20 H new ATOM 0 HA ASP A 39 8.240 -6.286 -6.017 1.00 14.96 H new ATOM 0 HB2 ASP A 39 9.251 -6.287 -8.374 1.00 24.16 H new ATOM 0 HB3 ASP A 39 10.516 -5.230 -7.780 1.00 24.16 H new ATOM 622 N GLN A 40 10.054 -3.661 -5.424 1.00 11.60 N ATOM 623 CA GLN A 40 10.675 -2.855 -4.420 1.00 10.76 C ATOM 624 C GLN A 40 9.747 -2.362 -3.364 1.00 8.01 C ATOM 625 O GLN A 40 10.154 -1.866 -2.315 1.00 8.96 O ATOM 626 CB GLN A 40 11.332 -1.761 -5.278 1.00 11.14 C ATOM 627 CG GLN A 40 12.402 -2.251 -6.256 1.00 14.85 C ATOM 628 CD GLN A 40 12.944 -1.195 -7.208 1.00 16.11 C ATOM 629 OE1 GLN A 40 13.214 -0.053 -6.842 1.00 20.52 O ATOM 630 NE2 GLN A 40 13.155 -1.488 -8.520 1.00 18.16 N ATOM 0 H GLN A 40 9.883 -3.143 -6.286 1.00 11.60 H new ATOM 0 HA GLN A 40 11.387 -3.396 -3.797 1.00 10.76 H new ATOM 0 HB2 GLN A 40 10.553 -1.249 -5.844 1.00 11.14 H new ATOM 0 HB3 GLN A 40 11.781 -1.022 -4.614 1.00 11.14 H new ATOM 0 HG2 GLN A 40 13.234 -2.662 -5.683 1.00 14.85 H new ATOM 0 HG3 GLN A 40 11.986 -3.068 -6.845 1.00 14.85 H new ATOM 0 HE21 GLN A 40 12.947 -2.422 -8.874 1.00 18.16 H new ATOM 0 HE22 GLN A 40 13.521 -0.774 -9.150 1.00 18.16 H new ATOM 639 N GLN A 41 8.428 -2.383 -3.629 1.00 6.52 N ATOM 640 CA GLN A 41 7.433 -1.950 -2.698 1.00 3.87 C ATOM 641 C GLN A 41 7.057 -2.966 -1.676 1.00 4.79 C ATOM 642 O GLN A 41 6.483 -3.999 -2.016 1.00 6.34 O ATOM 643 CB GLN A 41 6.114 -1.435 -3.298 1.00 4.20 C ATOM 644 CG GLN A 41 6.351 -0.286 -4.281 1.00 3.20 C ATOM 645 CD GLN A 41 4.999 0.070 -4.882 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.024 0.189 -4.141 1.00 5.21 O ATOM 647 NE2 GLN A 41 4.942 0.068 -6.241 1.00 7.13 N ATOM 0 H GLN A 41 8.043 -2.710 -4.515 1.00 6.52 H new ATOM 0 HA GLN A 41 7.965 -1.115 -2.242 1.00 3.87 H new ATOM 0 HB2 GLN A 41 5.603 -2.251 -3.808 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.456 -1.099 -2.497 1.00 4.20 H new ATOM 0 HG2 GLN A 41 6.785 0.574 -3.772 1.00 3.20 H new ATOM 0 HG3 GLN A 41 7.053 -0.583 -5.060 1.00 3.20 H new ATOM 0 HE21 GLN A 41 5.797 -0.036 -6.787 1.00 7.13 H new ATOM 0 HE22 GLN A 41 4.044 0.170 -6.714 1.00 7.13 H new ATOM 656 N ARG A 42 7.191 -2.663 -0.372 1.00 5.73 N ATOM 657 CA ARG A 42 6.577 -3.475 0.632 1.00 6.97 C ATOM 658 C ARG A 42 5.504 -2.612 1.202 1.00 7.15 C ATOM 659 O ARG A 42 5.695 -1.477 1.636 1.00 7.33 O ATOM 660 CB ARG A 42 7.607 -3.929 1.681 1.00 13.23 C ATOM 661 CG ARG A 42 8.514 -5.072 1.221 1.00 21.27 C ATOM 662 CD ARG A 42 9.644 -5.420 2.192 1.00 26.14 C ATOM 663 NE ARG A 42 10.429 -6.477 1.494 1.00 32.26 N ATOM 664 CZ ARG A 42 11.736 -6.775 1.754 1.00 34.32 C ATOM 665 NH1 ARG A 42 12.495 -5.876 2.446 1.00 35.30 N ATOM 666 NH2 ARG A 42 12.402 -7.853 1.246 1.00 36.39 N ATOM 0 H ARG A 42 7.718 -1.866 -0.016 1.00 5.73 H new ATOM 0 HA ARG A 42 6.164 -4.403 0.237 1.00 6.97 H new ATOM 0 HB2 ARG A 42 8.228 -3.076 1.956 1.00 13.23 H new ATOM 0 HB3 ARG A 42 7.078 -4.241 2.581 1.00 13.23 H new ATOM 0 HG2 ARG A 42 7.903 -5.961 1.061 1.00 21.27 H new ATOM 0 HG3 ARG A 42 8.950 -4.807 0.258 1.00 21.27 H new ATOM 0 HD2 ARG A 42 10.261 -4.548 2.411 1.00 26.14 H new ATOM 0 HD3 ARG A 42 9.252 -5.781 3.143 1.00 26.14 H new ATOM 0 HE ARG A 42 9.956 -7.017 0.770 1.00 32.26 H new ATOM 0 HH11 ARG A 42 12.084 -4.997 2.761 1.00 35.30 H new ATOM 0 HH12 ARG A 42 13.473 -6.083 2.649 1.00 35.30 H new ATOM 0 HH21 ARG A 42 11.921 -8.503 0.625 1.00 36.39 H new ATOM 0 HH22 ARG A 42 13.381 -8.008 1.488 1.00 36.39 H new ATOM 680 N LEU A 43 4.246 -3.082 1.116 1.00 4.65 N ATOM 681 CA LEU A 43 3.193 -2.512 1.897 1.00 3.51 C ATOM 682 C LEU A 43 2.943 -3.277 3.152 1.00 5.56 C ATOM 683 O LEU A 43 2.410 -4.382 3.074 1.00 4.19 O ATOM 684 CB LEU A 43 1.881 -2.230 1.145 1.00 3.74 C ATOM 685 CG LEU A 43 1.932 -1.418 -0.160 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.558 -1.525 -0.842 1.00 6.41 C ATOM 687 CD2 LEU A 43 2.097 0.086 0.119 1.00 9.55 C ATOM 0 H LEU A 43 3.960 -3.851 0.510 1.00 4.65 H new ATOM 0 HA LEU A 43 3.577 -1.526 2.159 1.00 3.51 H new ATOM 0 HB2 LEU A 43 1.419 -3.190 0.918 1.00 3.74 H new ATOM 0 HB3 LEU A 43 1.213 -1.709 1.831 1.00 3.74 H new ATOM 0 HG LEU A 43 2.761 -1.803 -0.754 1.00 6.32 H new ATOM 0 HD11 LEU A 43 0.568 -0.956 -1.772 1.00 6.41 H new ATOM 0 HD12 LEU A 43 0.340 -2.571 -1.059 1.00 6.41 H new ATOM 0 HD13 LEU A 43 -0.209 -1.124 -0.180 1.00 6.41 H new ATOM 0 HD21 LEU A 43 2.129 0.630 -0.825 1.00 9.55 H new ATOM 0 HD22 LEU A 43 1.255 0.440 0.713 1.00 9.55 H new ATOM 0 HD23 LEU A 43 3.024 0.255 0.667 1.00 9.55 H new ATOM 699 N ILE A 44 3.360 -2.687 4.286 1.00 4.58 N ATOM 700 CA ILE A 44 3.099 -3.171 5.607 1.00 5.55 C ATOM 701 C ILE A 44 1.815 -2.575 6.072 1.00 5.46 C ATOM 702 O ILE A 44 1.562 -1.399 5.818 1.00 6.04 O ATOM 703 CB ILE A 44 4.234 -2.824 6.524 1.00 6.80 C ATOM 704 CG1 ILE A 44 5.609 -2.924 5.842 1.00 10.31 C ATOM 705 CG2 ILE A 44 4.127 -3.666 7.806 1.00 7.39 C ATOM 706 CD1 ILE A 44 6.157 -4.280 5.397 1.00 13.90 C ATOM 0 H ILE A 44 3.908 -1.827 4.281 1.00 4.58 H new ATOM 0 HA ILE A 44 3.012 -4.258 5.607 1.00 5.55 H new ATOM 0 HB ILE A 44 4.150 -1.773 6.799 1.00 6.80 H new ATOM 0 HG12 ILE A 44 5.578 -2.284 4.960 1.00 10.31 H new ATOM 0 HG13 ILE A 44 6.339 -2.490 6.525 1.00 10.31 H new ATOM 0 HG21 ILE A 44 4.951 -3.416 8.475 1.00 7.39 H new ATOM 0 HG22 ILE A 44 3.180 -3.455 8.302 1.00 7.39 H new ATOM 0 HG23 ILE A 44 4.175 -4.725 7.551 1.00 7.39 H new ATOM 0 HD11 ILE A 44 7.136 -4.144 4.938 1.00 13.90 H new ATOM 0 HD12 ILE A 44 6.249 -4.937 6.262 1.00 13.90 H new ATOM 0 HD13 ILE A 44 5.476 -4.728 4.673 1.00 13.90 H new ATOM 718 N PHE A 45 1.001 -3.300 6.859 1.00 6.75 N ATOM 719 CA PHE A 45 -0.155 -2.803 7.540 1.00 4.70 C ATOM 720 C PHE A 45 0.061 -3.093 8.986 1.00 6.34 C ATOM 721 O PHE A 45 -0.020 -4.243 9.415 1.00 5.45 O ATOM 722 CB PHE A 45 -1.525 -3.224 6.983 1.00 5.51 C ATOM 723 CG PHE A 45 -2.505 -2.246 7.532 1.00 5.98 C ATOM 724 CD1 PHE A 45 -2.690 -1.059 6.864 1.00 6.86 C ATOM 725 CD2 PHE A 45 -3.493 -2.817 8.299 1.00 5.87 C ATOM 726 CE1 PHE A 45 -3.767 -0.284 7.226 1.00 6.68 C ATOM 727 CE2 PHE A 45 -4.619 -2.080 8.579 1.00 6.64 C ATOM 728 CZ PHE A 45 -4.723 -0.810 8.063 1.00 6.84 C ATOM 0 H PHE A 45 1.159 -4.293 7.030 1.00 6.75 H new ATOM 0 HA PHE A 45 -0.236 -1.730 7.366 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -1.526 -3.208 5.893 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -1.775 -4.240 7.287 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -2.014 -0.746 6.082 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -3.387 -3.824 8.674 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -3.861 0.727 6.857 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -5.407 -2.491 9.193 1.00 6.64 H new ATOM 0 HZ PHE A 45 -5.581 -0.208 8.323 1.00 6.84 H new ATOM 738 N ALA A 46 0.337 -2.049 9.788 1.00 6.53 N ATOM 739 CA ALA A 46 0.939 -2.010 11.084 1.00 7.15 C ATOM 740 C ALA A 46 2.265 -2.688 11.099 1.00 9.00 C ATOM 741 O ALA A 46 3.357 -2.194 10.822 1.00 11.15 O ATOM 742 CB ALA A 46 -0.021 -2.625 12.118 1.00 8.99 C ATOM 0 H ALA A 46 0.103 -1.105 9.479 1.00 6.53 H new ATOM 0 HA ALA A 46 1.121 -0.969 11.349 1.00 7.15 H new ATOM 0 HB1 ALA A 46 0.440 -2.594 13.105 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -0.951 -2.057 12.134 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -0.232 -3.660 11.848 1.00 8.99 H new ATOM 748 N GLY A 47 2.252 -4.004 11.379 1.00 9.35 N ATOM 749 CA GLY A 47 3.357 -4.906 11.477 1.00 11.68 C ATOM 750 C GLY A 47 3.278 -6.095 10.584 1.00 11.14 C ATOM 751 O GLY A 47 4.206 -6.894 10.462 1.00 13.93 O ATOM 0 H GLY A 47 1.370 -4.484 11.555 1.00 9.35 H new ATOM 0 HA2 GLY A 47 4.273 -4.361 11.251 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.436 -5.249 12.508 1.00 11.68 H new ATOM 755 N LYS A 48 2.216 -6.208 9.766 1.00 10.47 N ATOM 756 CA LYS A 48 2.128 -7.300 8.847 1.00 8.82 C ATOM 757 C LYS A 48 2.467 -6.922 7.447 1.00 7.68 C ATOM 758 O LYS A 48 1.890 -5.962 6.939 1.00 6.47 O ATOM 759 CB LYS A 48 0.702 -7.839 9.050 1.00 9.74 C ATOM 760 CG LYS A 48 0.393 -9.148 8.321 1.00 14.14 C ATOM 761 CD LYS A 48 -1.113 -9.402 8.408 1.00 16.32 C ATOM 762 CE LYS A 48 -1.668 -9.750 9.791 1.00 20.04 C ATOM 763 NZ LYS A 48 -3.126 -10.007 9.762 1.00 23.92 N ATOM 0 H LYS A 48 1.432 -5.556 9.740 1.00 10.47 H new ATOM 0 HA LYS A 48 2.870 -8.075 9.039 1.00 8.82 H new ATOM 0 HB2 LYS A 48 0.535 -7.987 10.117 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -0.007 -7.080 8.718 1.00 9.74 H new ATOM 0 HG2 LYS A 48 0.708 -9.086 7.279 1.00 14.14 H new ATOM 0 HG3 LYS A 48 0.944 -9.973 8.772 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -1.630 -8.513 8.047 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -1.362 -10.215 7.726 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -1.154 -10.631 10.176 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -1.459 -8.932 10.481 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -3.457 -10.238 10.720 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -3.621 -9.159 9.420 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -3.325 -10.805 9.125 1.00 23.92 H new ATOM 777 N GLN A 49 3.395 -7.600 6.747 1.00 8.89 N ATOM 778 CA GLN A 49 3.595 -7.370 5.350 1.00 7.18 C ATOM 779 C GLN A 49 2.473 -7.932 4.546 1.00 8.23 C ATOM 780 O GLN A 49 2.160 -9.106 4.734 1.00 9.70 O ATOM 781 CB GLN A 49 4.966 -7.915 4.914 1.00 11.67 C ATOM 782 CG GLN A 49 5.246 -7.749 3.419 1.00 15.82 C ATOM 783 CD GLN A 49 6.622 -8.240 2.991 1.00 20.21 C ATOM 784 OE1 GLN A 49 7.611 -7.880 3.628 1.00 23.23 O ATOM 785 NE2 GLN A 49 6.730 -9.036 1.894 1.00 20.67 N ATOM 0 H GLN A 49 4.008 -8.309 7.150 1.00 8.89 H new ATOM 0 HA GLN A 49 3.597 -6.296 5.164 1.00 7.18 H new ATOM 0 HB2 GLN A 49 5.746 -7.406 5.480 1.00 11.67 H new ATOM 0 HB3 GLN A 49 5.025 -8.973 5.171 1.00 11.67 H new ATOM 0 HG2 GLN A 49 4.486 -8.290 2.855 1.00 15.82 H new ATOM 0 HG3 GLN A 49 5.149 -6.696 3.156 1.00 15.82 H new ATOM 0 HE21 GLN A 49 5.893 -9.319 1.385 1.00 20.67 H new ATOM 0 HE22 GLN A 49 7.648 -9.350 1.580 1.00 20.67 H new ATOM 794 N LEU A 50 1.806 -7.136 3.691 1.00 6.51 N ATOM 795 CA LEU A 50 0.661 -7.643 3.000 1.00 7.41 C ATOM 796 C LEU A 50 1.079 -8.429 1.805 1.00 8.27 C ATOM 797 O LEU A 50 2.221 -8.347 1.354 1.00 8.34 O ATOM 798 CB LEU A 50 -0.174 -6.464 2.474 1.00 7.13 C ATOM 799 CG LEU A 50 -0.708 -5.589 3.620 1.00 7.53 C ATOM 800 CD1 LEU A 50 -1.193 -4.325 2.892 1.00 9.11 C ATOM 801 CD2 LEU A 50 -1.805 -6.269 4.458 1.00 8.14 C ATOM 0 H LEU A 50 2.050 -6.168 3.482 1.00 6.51 H new ATOM 0 HA LEU A 50 0.096 -8.266 3.694 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.436 -5.856 1.806 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -1.010 -6.844 1.886 1.00 7.13 H new ATOM 0 HG LEU A 50 0.052 -5.378 4.372 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -1.599 -3.620 3.618 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -0.356 -3.864 2.367 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -1.968 -4.593 2.174 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -2.133 -5.592 5.247 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -2.652 -6.516 3.817 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -1.409 -7.181 4.904 1.00 8.14 H new ATOM 813 N GLU A 51 0.172 -9.210 1.193 1.00 9.43 N ATOM 814 CA GLU A 51 0.378 -9.792 -0.097 1.00 11.90 C ATOM 815 C GLU A 51 -0.274 -9.023 -1.194 1.00 11.49 C ATOM 816 O GLU A 51 -1.268 -8.362 -0.896 1.00 9.88 O ATOM 817 CB GLU A 51 -0.120 -11.234 -0.292 1.00 16.56 C ATOM 818 CG GLU A 51 0.302 -12.222 0.798 1.00 26.06 C ATOM 819 CD GLU A 51 1.817 -12.358 0.735 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.289 -12.389 -0.432 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.513 -12.499 1.776 1.00 33.44 O ATOM 0 H GLU A 51 -0.731 -9.444 1.607 1.00 9.43 H new ATOM 0 HA GLU A 51 1.467 -9.775 -0.144 1.00 11.90 H new ATOM 0 HB2 GLU A 51 -1.209 -11.221 -0.347 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.243 -11.600 -1.252 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.010 -11.865 1.780 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.176 -13.189 0.644 1.00 26.06 H new ATOM 828 N ASP A 52 0.195 -9.187 -2.443 1.00 12.71 N ATOM 829 CA ASP A 52 -0.198 -8.471 -3.617 1.00 16.56 C ATOM 830 C ASP A 52 -1.565 -8.848 -4.074 1.00 15.83 C ATOM 831 O ASP A 52 -2.468 -8.020 -4.178 1.00 17.21 O ATOM 832 CB ASP A 52 0.850 -8.669 -4.725 1.00 21.05 C ATOM 833 CG ASP A 52 2.270 -8.489 -4.209 1.00 25.12 C ATOM 834 OD1 ASP A 52 2.796 -9.469 -3.616 1.00 25.82 O ATOM 835 OD2 ASP A 52 2.852 -7.376 -4.311 1.00 28.37 O ATOM 0 H ASP A 52 0.913 -9.882 -2.648 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.245 -7.411 -3.369 1.00 16.56 H new ATOM 0 HB2 ASP A 52 0.743 -9.667 -5.150 1.00 21.05 H new ATOM 0 HB3 ASP A 52 0.664 -7.958 -5.530 1.00 21.05 H new ATOM 840 N GLY A 53 -1.848 -10.136 -4.339 1.00 15.00 N ATOM 841 CA GLY A 53 -3.078 -10.630 -4.875 1.00 11.77 C ATOM 842 C GLY A 53 -4.230 -10.842 -3.954 1.00 11.10 C ATOM 843 O GLY A 53 -5.241 -11.414 -4.358 1.00 11.25 O ATOM 0 H GLY A 53 -1.172 -10.880 -4.167 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -3.401 -9.938 -5.653 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -2.867 -11.581 -5.363 1.00 11.77 H new ATOM 847 N ARG A 54 -4.144 -10.291 -2.730 1.00 8.53 N ATOM 848 CA ARG A 54 -5.161 -10.230 -1.727 1.00 9.05 C ATOM 849 C ARG A 54 -5.647 -8.822 -1.670 1.00 8.96 C ATOM 850 O ARG A 54 -5.040 -7.914 -2.234 1.00 11.60 O ATOM 851 CB ARG A 54 -4.560 -10.729 -0.403 1.00 7.97 C ATOM 852 CG ARG A 54 -4.041 -12.167 -0.462 1.00 9.62 C ATOM 853 CD ARG A 54 -3.733 -12.814 0.890 1.00 12.20 C ATOM 854 NE ARG A 54 -3.005 -14.091 0.642 1.00 18.23 N ATOM 855 CZ ARG A 54 -2.444 -14.884 1.600 1.00 22.08 C ATOM 856 NH1 ARG A 54 -2.599 -14.698 2.944 1.00 23.38 N ATOM 857 NH2 ARG A 54 -1.661 -15.910 1.155 1.00 25.50 N ATOM 0 H ARG A 54 -3.281 -9.847 -2.416 1.00 8.53 H new ATOM 0 HA ARG A 54 -6.018 -10.867 -1.946 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -3.742 -10.069 -0.115 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -5.317 -10.658 0.378 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -4.780 -12.780 -0.978 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -3.135 -12.183 -1.067 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -3.128 -12.145 1.502 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -4.655 -13.003 1.440 1.00 12.20 H new ATOM 0 HE ARG A 54 -2.919 -14.398 -0.327 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -3.166 -13.924 3.290 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -2.148 -15.333 3.602 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -1.523 -16.049 0.154 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -1.214 -16.537 1.824 1.00 25.50 H new ATOM 871 N THR A 55 -6.869 -8.747 -1.112 1.00 9.05 N ATOM 872 CA THR A 55 -7.495 -7.462 -1.149 1.00 9.03 C ATOM 873 C THR A 55 -7.446 -6.756 0.162 1.00 8.15 C ATOM 874 O THR A 55 -6.889 -7.297 1.116 1.00 5.91 O ATOM 875 CB THR A 55 -8.904 -7.580 -1.647 1.00 11.15 C ATOM 876 OG1 THR A 55 -9.785 -8.225 -0.739 1.00 11.95 O ATOM 877 CG2 THR A 55 -9.043 -8.267 -3.016 1.00 11.71 C ATOM 0 H THR A 55 -7.388 -9.505 -0.670 1.00 9.05 H new ATOM 0 HA THR A 55 -6.924 -6.849 -1.847 1.00 9.03 H new ATOM 0 HB THR A 55 -9.195 -6.535 -1.751 1.00 11.15 H new ATOM 0 HG1 THR A 55 -9.520 -9.163 -0.636 1.00 11.95 H new ATOM 0 HG21 THR A 55 -10.095 -8.309 -3.297 1.00 11.71 H new ATOM 0 HG22 THR A 55 -8.489 -7.701 -3.765 1.00 11.71 H new ATOM 0 HG23 THR A 55 -8.643 -9.279 -2.957 1.00 11.71 H new ATOM 885 N LEU A 56 -7.853 -5.475 0.102 1.00 6.91 N ATOM 886 CA LEU A 56 -7.984 -4.652 1.264 1.00 8.29 C ATOM 887 C LEU A 56 -8.935 -5.239 2.249 1.00 8.05 C ATOM 888 O LEU A 56 -8.764 -5.161 3.464 1.00 10.17 O ATOM 889 CB LEU A 56 -8.615 -3.314 0.846 1.00 6.60 C ATOM 890 CG LEU A 56 -7.731 -2.495 -0.111 1.00 7.73 C ATOM 891 CD1 LEU A 56 -6.415 -1.885 0.400 1.00 8.64 C ATOM 892 CD2 LEU A 56 -7.593 -2.832 -1.605 1.00 9.85 C ATOM 0 H LEU A 56 -8.095 -5.003 -0.769 1.00 6.91 H new ATOM 0 HA LEU A 56 -6.992 -4.549 1.703 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -9.575 -3.507 0.367 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.818 -2.722 1.738 1.00 6.60 H new ATOM 0 HG LEU A 56 -8.518 -1.742 -0.074 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -5.926 -1.344 -0.410 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -6.626 -1.198 1.220 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -5.758 -2.680 0.753 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -6.919 -2.118 -2.078 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -7.191 -3.839 -1.715 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -8.572 -2.778 -2.082 1.00 9.85 H new ATOM 904 N SER A 57 -10.068 -5.745 1.728 1.00 8.92 N ATOM 905 CA SER A 57 -11.115 -6.460 2.390 1.00 9.00 C ATOM 906 C SER A 57 -10.695 -7.654 3.175 1.00 9.44 C ATOM 907 O SER A 57 -11.261 -7.959 4.224 1.00 10.91 O ATOM 908 CB SER A 57 -12.238 -6.997 1.486 1.00 10.32 C ATOM 909 OG SER A 57 -13.459 -7.170 2.190 1.00 13.59 O ATOM 0 H SER A 57 -10.269 -5.640 0.734 1.00 8.92 H new ATOM 0 HA SER A 57 -11.466 -5.656 3.037 1.00 9.00 H new ATOM 0 HB2 SER A 57 -12.394 -6.308 0.656 1.00 10.32 H new ATOM 0 HB3 SER A 57 -11.931 -7.950 1.056 1.00 10.32 H new ATOM 0 HG SER A 57 -14.144 -7.511 1.578 1.00 13.59 H new ATOM 915 N ASP A 58 -9.673 -8.378 2.684 1.00 9.11 N ATOM 916 CA ASP A 58 -9.278 -9.635 3.241 1.00 7.91 C ATOM 917 C ASP A 58 -8.419 -9.531 4.454 1.00 9.12 C ATOM 918 O ASP A 58 -8.540 -10.496 5.207 1.00 8.61 O ATOM 919 CB ASP A 58 -8.345 -10.313 2.224 1.00 8.41 C ATOM 920 CG ASP A 58 -9.156 -11.010 1.141 1.00 11.50 C ATOM 921 OD1 ASP A 58 -10.071 -11.805 1.485 1.00 11.70 O ATOM 922 OD2 ASP A 58 -8.956 -10.761 -0.078 1.00 10.05 O ATOM 0 H ASP A 58 -9.110 -8.085 1.885 1.00 9.11 H new ATOM 0 HA ASP A 58 -10.205 -10.154 3.483 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -7.687 -9.570 1.773 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -7.708 -11.037 2.732 1.00 8.41 H new ATOM 927 N TYR A 59 -7.683 -8.418 4.620 1.00 7.97 N ATOM 928 CA TYR A 59 -6.953 -8.110 5.811 1.00 8.45 C ATOM 929 C TYR A 59 -7.752 -7.219 6.698 1.00 10.98 C ATOM 930 O TYR A 59 -7.385 -6.942 7.839 1.00 12.95 O ATOM 931 CB TYR A 59 -5.615 -7.414 5.506 1.00 7.94 C ATOM 932 CG TYR A 59 -4.642 -8.344 4.867 1.00 6.91 C ATOM 933 CD1 TYR A 59 -3.942 -9.265 5.611 1.00 6.98 C ATOM 934 CD2 TYR A 59 -4.352 -8.201 3.531 1.00 4.59 C ATOM 935 CE1 TYR A 59 -3.036 -10.101 5.002 1.00 6.52 C ATOM 936 CE2 TYR A 59 -3.369 -8.961 2.943 1.00 5.39 C ATOM 937 CZ TYR A 59 -2.685 -9.891 3.689 1.00 6.76 C ATOM 938 OH TYR A 59 -1.786 -10.716 2.981 1.00 7.63 O ATOM 0 H TYR A 59 -7.593 -7.705 3.897 1.00 7.97 H new ATOM 0 HA TYR A 59 -6.752 -9.060 6.306 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -5.790 -6.562 4.849 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -5.190 -7.022 6.430 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -4.104 -9.332 6.677 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -4.901 -7.485 2.938 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -2.601 -10.921 5.554 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -3.135 -8.828 1.897 1.00 5.39 H new ATOM 0 HH TYR A 59 -1.836 -11.630 3.331 1.00 7.63 H new ATOM 948 N ASN A 60 -8.873 -6.693 6.171 1.00 12.38 N ATOM 949 CA ASN A 60 -9.909 -5.916 6.777 1.00 13.94 C ATOM 950 C ASN A 60 -9.538 -4.488 6.987 1.00 14.16 C ATOM 951 O ASN A 60 -9.786 -3.876 8.024 1.00 14.26 O ATOM 952 CB ASN A 60 -10.474 -6.585 8.041 1.00 19.23 C ATOM 953 CG ASN A 60 -10.991 -8.001 7.834 1.00 22.65 C ATOM 954 OD1 ASN A 60 -10.247 -8.934 8.132 1.00 25.45 O ATOM 955 ND2 ASN A 60 -12.224 -8.199 7.295 1.00 24.09 N ATOM 0 H ASN A 60 -9.075 -6.836 5.181 1.00 12.38 H new ATOM 0 HA ASN A 60 -10.723 -5.889 6.053 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -9.696 -6.605 8.804 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -11.285 -5.970 8.429 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -12.560 -9.147 7.125 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -12.813 -7.400 7.061 1.00 24.09 H new ATOM 962 N ILE A 61 -8.941 -3.862 5.957 1.00 11.08 N ATOM 963 CA ILE A 61 -8.662 -2.466 5.823 1.00 11.78 C ATOM 964 C ILE A 61 -9.929 -1.741 5.525 1.00 13.74 C ATOM 965 O ILE A 61 -10.766 -2.277 4.801 1.00 14.60 O ATOM 966 CB ILE A 61 -7.661 -2.302 4.718 1.00 11.80 C ATOM 967 CG1 ILE A 61 -6.451 -3.154 5.134 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.162 -0.856 4.564 1.00 13.29 C ATOM 969 CD1 ILE A 61 -5.225 -3.108 4.222 1.00 11.42 C ATOM 0 H ILE A 61 -8.624 -4.386 5.141 1.00 11.08 H new ATOM 0 HA ILE A 61 -8.249 -2.051 6.743 1.00 11.78 H new ATOM 0 HB ILE A 61 -8.123 -2.590 3.774 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -6.143 -2.841 6.132 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -6.777 -4.191 5.211 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -6.441 -0.805 3.748 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -8.005 -0.202 4.344 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -6.686 -0.535 5.490 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -4.445 -3.752 4.628 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.499 -3.455 3.226 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -4.855 -2.084 4.161 1.00 11.42 H new ATOM 981 N GLN A 62 -10.108 -0.551 6.126 1.00 13.97 N ATOM 982 CA GLN A 62 -11.152 0.424 6.064 1.00 15.52 C ATOM 983 C GLN A 62 -10.752 1.494 5.108 1.00 13.94 C ATOM 984 O GLN A 62 -9.674 1.456 4.515 1.00 12.15 O ATOM 985 CB GLN A 62 -11.514 1.066 7.414 1.00 19.53 C ATOM 986 CG GLN A 62 -11.699 0.117 8.599 1.00 26.38 C ATOM 987 CD GLN A 62 -11.872 0.922 9.879 1.00 30.61 C ATOM 988 OE1 GLN A 62 -11.784 2.148 9.837 1.00 33.23 O ATOM 989 NE2 GLN A 62 -12.140 0.209 11.005 1.00 32.71 N ATOM 0 H GLN A 62 -9.386 -0.224 6.768 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.046 -0.107 5.737 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -10.733 1.782 7.670 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -12.436 1.633 7.285 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -12.570 -0.518 8.437 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -10.836 -0.543 8.687 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -12.198 -0.808 10.963 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -12.283 0.692 11.892 1.00 32.71 H new ATOM 998 N LYS A 63 -11.636 2.472 4.841 1.00 11.73 N ATOM 999 CA LYS A 63 -11.286 3.730 4.257 1.00 11.97 C ATOM 1000 C LYS A 63 -10.469 4.642 5.106 1.00 10.41 C ATOM 1001 O LYS A 63 -10.478 4.540 6.332 1.00 9.59 O ATOM 1002 CB LYS A 63 -12.423 4.616 3.724 1.00 13.73 C ATOM 1003 CG LYS A 63 -13.412 5.203 4.733 1.00 16.98 C ATOM 1004 CD LYS A 63 -14.739 5.622 4.098 1.00 20.19 C ATOM 1005 CE LYS A 63 -15.668 4.510 3.605 1.00 23.42 C ATOM 1006 NZ LYS A 63 -17.034 5.041 3.397 1.00 25.97 N ATOM 0 H LYS A 63 -12.633 2.383 5.039 1.00 11.73 H new ATOM 0 HA LYS A 63 -10.711 3.323 3.425 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -11.972 5.445 3.178 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -12.992 4.030 3.002 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -13.606 4.467 5.513 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -12.958 6.068 5.217 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -15.287 6.220 4.827 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -14.517 6.274 3.253 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -15.286 4.093 2.673 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -15.692 3.698 4.331 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -17.656 4.278 3.062 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -17.400 5.418 4.294 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -17.007 5.801 2.688 1.00 25.97 H new ATOM 1020 N GLU A 64 -9.719 5.569 4.484 1.00 10.04 N ATOM 1021 CA GLU A 64 -8.877 6.483 5.192 1.00 10.94 C ATOM 1022 C GLU A 64 -7.873 5.826 6.075 1.00 9.74 C ATOM 1023 O GLU A 64 -7.183 6.444 6.884 1.00 9.42 O ATOM 1024 CB GLU A 64 -9.630 7.538 6.020 1.00 18.31 C ATOM 1025 CG GLU A 64 -10.538 8.451 5.192 1.00 24.16 C ATOM 1026 CD GLU A 64 -11.402 9.234 6.170 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -12.350 8.681 6.789 1.00 31.72 O ATOM 1028 OE2 GLU A 64 -11.135 10.429 6.463 1.00 32.61 O ATOM 0 H GLU A 64 -9.697 5.686 3.471 1.00 10.04 H new ATOM 0 HA GLU A 64 -8.359 6.988 4.377 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -10.233 7.031 6.773 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -8.904 8.152 6.553 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -9.945 9.127 4.576 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -11.159 7.864 4.515 1.00 24.16 H new ATOM 1035 N SER A 65 -7.594 4.526 5.873 1.00 6.85 N ATOM 1036 CA SER A 65 -6.600 3.870 6.665 1.00 6.90 C ATOM 1037 C SER A 65 -5.247 4.090 6.081 1.00 4.72 C ATOM 1038 O SER A 65 -5.042 4.293 4.886 1.00 3.91 O ATOM 1039 CB SER A 65 -6.707 2.341 6.798 1.00 7.28 C ATOM 1040 OG SER A 65 -7.865 1.962 7.526 1.00 10.56 O ATOM 0 H SER A 65 -8.047 3.937 5.174 1.00 6.85 H new ATOM 0 HA SER A 65 -6.764 4.313 7.647 1.00 6.90 H new ATOM 0 HB2 SER A 65 -6.735 1.890 5.806 1.00 7.28 H new ATOM 0 HB3 SER A 65 -5.819 1.955 7.298 1.00 7.28 H new ATOM 0 HG SER A 65 -7.905 0.985 7.592 1.00 10.56 H new ATOM 1046 N THR A 66 -4.278 4.006 7.010 1.00 4.48 N ATOM 1047 CA THR A 66 -2.906 4.209 6.663 1.00 3.80 C ATOM 1048 C THR A 66 -2.123 2.955 6.478 1.00 4.60 C ATOM 1049 O THR A 66 -1.958 2.250 7.472 1.00 5.33 O ATOM 1050 CB THR A 66 -2.249 5.106 7.671 1.00 2.85 C ATOM 1051 OG1 THR A 66 -2.884 6.374 7.744 1.00 2.15 O ATOM 1052 CG2 THR A 66 -0.779 5.405 7.332 1.00 3.40 C ATOM 0 H THR A 66 -4.443 3.799 7.995 1.00 4.48 H new ATOM 0 HA THR A 66 -2.911 4.687 5.684 1.00 3.80 H new ATOM 0 HB THR A 66 -2.328 4.559 8.610 1.00 2.85 H new ATOM 0 HG1 THR A 66 -2.430 6.929 8.412 1.00 2.15 H new ATOM 0 HG21 THR A 66 -0.355 6.058 8.095 1.00 3.40 H new ATOM 0 HG22 THR A 66 -0.216 4.472 7.299 1.00 3.40 H new ATOM 0 HG23 THR A 66 -0.722 5.897 6.361 1.00 3.40 H new ATOM 1060 N LEU A 67 -1.774 2.708 5.203 1.00 4.17 N ATOM 1061 CA LEU A 67 -0.864 1.637 4.940 1.00 3.85 C ATOM 1062 C LEU A 67 0.541 2.117 5.062 1.00 3.80 C ATOM 1063 O LEU A 67 0.821 3.308 4.932 1.00 5.54 O ATOM 1064 CB LEU A 67 -1.033 1.159 3.488 1.00 7.18 C ATOM 1065 CG LEU A 67 -2.181 0.144 3.359 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -3.568 0.797 3.481 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -2.076 -0.436 1.939 1.00 8.12 C ATOM 0 H LEU A 67 -2.104 3.223 4.387 1.00 4.17 H new ATOM 0 HA LEU A 67 -1.071 0.838 5.652 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -1.229 2.015 2.842 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -0.104 0.705 3.143 1.00 7.18 H new ATOM 0 HG LEU A 67 -2.090 -0.596 4.154 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -4.340 0.033 3.382 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -3.658 1.280 4.454 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -3.691 1.541 2.694 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -2.869 -1.168 1.785 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -2.177 0.367 1.209 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -1.107 -0.920 1.814 1.00 8.12 H new ATOM 1079 N HIS A 68 1.558 1.278 5.328 1.00 2.94 N ATOM 1080 CA HIS A 68 2.906 1.750 5.414 1.00 4.17 C ATOM 1081 C HIS A 68 3.686 1.203 4.268 1.00 5.32 C ATOM 1082 O HIS A 68 3.614 0.028 3.913 1.00 7.70 O ATOM 1083 CB HIS A 68 3.622 1.318 6.705 1.00 5.57 C ATOM 1084 CG HIS A 68 2.851 1.577 7.965 1.00 9.95 C ATOM 1085 ND1 HIS A 68 2.665 2.851 8.461 1.00 13.74 N ATOM 1086 CD2 HIS A 68 2.115 0.741 8.745 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.918 2.737 9.592 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.533 1.485 9.752 1.00 16.30 N ATOM 0 H HIS A 68 1.448 0.276 5.483 1.00 2.94 H new ATOM 0 HA HIS A 68 2.854 2.839 5.403 1.00 4.17 H new ATOM 0 HB2 HIS A 68 3.843 0.252 6.643 1.00 5.57 H new ATOM 0 HB3 HIS A 68 4.578 1.839 6.766 1.00 5.57 H new ATOM 0 HD2 HIS A 68 2.004 -0.324 8.601 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.676 3.550 10.260 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.918 1.132 10.485 1.00 16.30 H new ATOM 1096 N LEU A 69 4.548 2.096 3.749 1.00 5.29 N ATOM 1097 CA LEU A 69 5.369 1.814 2.613 1.00 3.97 C ATOM 1098 C LEU A 69 6.800 1.713 3.016 1.00 5.07 C ATOM 1099 O LEU A 69 7.329 2.638 3.630 1.00 4.34 O ATOM 1100 CB LEU A 69 5.362 2.961 1.589 1.00 6.08 C ATOM 1101 CG LEU A 69 6.166 2.878 0.281 1.00 7.37 C ATOM 1102 CD1 LEU A 69 5.720 1.621 -0.486 1.00 9.96 C ATOM 1103 CD2 LEU A 69 5.971 4.096 -0.638 1.00 6.87 C ATOM 0 H LEU A 69 4.677 3.034 4.127 1.00 5.29 H new ATOM 0 HA LEU A 69 4.967 0.892 2.193 1.00 3.97 H new ATOM 0 HB2 LEU A 69 4.322 3.130 1.311 1.00 6.08 H new ATOM 0 HB3 LEU A 69 5.701 3.855 2.113 1.00 6.08 H new ATOM 0 HG LEU A 69 7.220 2.846 0.556 1.00 7.37 H new ATOM 0 HD11 LEU A 69 6.280 1.545 -1.418 1.00 9.96 H new ATOM 0 HD12 LEU A 69 5.908 0.737 0.123 1.00 9.96 H new ATOM 0 HD13 LEU A 69 4.655 1.689 -0.708 1.00 9.96 H new ATOM 0 HD21 LEU A 69 6.568 3.969 -1.541 1.00 6.87 H new ATOM 0 HD22 LEU A 69 4.918 4.184 -0.908 1.00 6.87 H new ATOM 0 HD23 LEU A 69 6.289 4.999 -0.117 1.00 6.87 H new ATOM 1115 N VAL A 70 7.421 0.541 2.789 1.00 4.29 N ATOM 1116 CA VAL A 70 8.783 0.315 3.160 1.00 6.26 C ATOM 1117 C VAL A 70 9.399 -0.053 1.854 1.00 9.22 C ATOM 1118 O VAL A 70 8.758 -0.762 1.080 1.00 9.36 O ATOM 1119 CB VAL A 70 8.825 -0.703 4.261 1.00 8.69 C ATOM 1120 CG1 VAL A 70 10.285 -0.953 4.677 1.00 9.76 C ATOM 1121 CG2 VAL A 70 7.997 -0.338 5.504 1.00 8.54 C ATOM 0 H VAL A 70 6.972 -0.259 2.343 1.00 4.29 H new ATOM 0 HA VAL A 70 9.337 1.147 3.596 1.00 6.26 H new ATOM 0 HB VAL A 70 8.368 -1.603 3.849 1.00 8.69 H new ATOM 0 HG11 VAL A 70 10.314 -1.693 5.477 1.00 9.76 H new ATOM 0 HG12 VAL A 70 10.849 -1.322 3.821 1.00 9.76 H new ATOM 0 HG13 VAL A 70 10.728 -0.021 5.029 1.00 9.76 H new ATOM 0 HG21 VAL A 70 8.087 -1.131 6.247 1.00 8.54 H new ATOM 0 HG22 VAL A 70 8.366 0.597 5.925 1.00 8.54 H new ATOM 0 HG23 VAL A 70 6.950 -0.221 5.223 1.00 8.54 H new ATOM 1131 N LEU A 71 10.581 0.500 1.525 1.00 12.71 N ATOM 1132 CA LEU A 71 11.141 0.148 0.258 1.00 16.06 C ATOM 1133 C LEU A 71 12.041 -1.003 0.553 1.00 18.09 C ATOM 1134 O LEU A 71 12.605 -1.109 1.641 1.00 19.26 O ATOM 1135 CB LEU A 71 11.914 1.364 -0.280 1.00 17.10 C ATOM 1136 CG LEU A 71 11.135 2.649 -0.604 1.00 19.37 C ATOM 1137 CD1 LEU A 71 11.934 3.476 -1.626 1.00 19.57 C ATOM 1138 CD2 LEU A 71 9.797 2.407 -1.322 1.00 17.51 C ATOM 0 H LEU A 71 11.121 1.151 2.096 1.00 12.71 H new ATOM 0 HA LEU A 71 10.405 -0.125 -0.498 1.00 16.06 H new ATOM 0 HB2 LEU A 71 12.681 1.618 0.451 1.00 17.10 H new ATOM 0 HB3 LEU A 71 12.430 1.052 -1.188 1.00 17.10 H new ATOM 0 HG LEU A 71 10.971 3.127 0.362 1.00 19.37 H new ATOM 0 HD11 LEU A 71 11.388 4.390 -1.861 1.00 19.57 H new ATOM 0 HD12 LEU A 71 12.907 3.732 -1.206 1.00 19.57 H new ATOM 0 HD13 LEU A 71 12.074 2.893 -2.536 1.00 19.57 H new ATOM 0 HD21 LEU A 71 9.309 3.363 -1.515 1.00 17.51 H new ATOM 0 HD22 LEU A 71 9.979 1.895 -2.267 1.00 17.51 H new ATOM 0 HD23 LEU A 71 9.153 1.791 -0.694 1.00 17.51 H new ATOM 1150 N ARG A 72 12.285 -1.886 -0.431 1.00 21.47 N ATOM 1151 CA ARG A 72 13.349 -2.831 -0.291 1.00 25.83 C ATOM 1152 C ARG A 72 14.669 -2.208 -0.589 1.00 27.74 C ATOM 1153 O ARG A 72 14.985 -1.757 -1.689 1.00 30.65 O ATOM 1154 CB ARG A 72 13.097 -3.976 -1.286 1.00 28.49 C ATOM 1155 CG ARG A 72 14.103 -5.120 -1.134 1.00 31.79 C ATOM 1156 CD ARG A 72 13.747 -6.293 -2.050 1.00 34.05 C ATOM 1157 NE ARG A 72 14.117 -5.818 -3.412 1.00 35.08 N ATOM 1158 CZ ARG A 72 13.483 -6.213 -4.555 1.00 34.67 C ATOM 1159 NH1 ARG A 72 12.563 -7.219 -4.616 1.00 35.02 N ATOM 1160 NH2 ARG A 72 13.644 -5.461 -5.683 1.00 34.97 N ATOM 0 H ARG A 72 11.760 -1.947 -1.304 1.00 21.47 H new ATOM 0 HA ARG A 72 13.373 -3.195 0.736 1.00 25.83 H new ATOM 0 HB2 ARG A 72 12.088 -4.363 -1.141 1.00 28.49 H new ATOM 0 HB3 ARG A 72 13.146 -3.586 -2.303 1.00 28.49 H new ATOM 0 HG2 ARG A 72 15.105 -4.761 -1.370 1.00 31.79 H new ATOM 0 HG3 ARG A 72 14.121 -5.457 -0.097 1.00 31.79 H new ATOM 0 HD2 ARG A 72 14.299 -7.192 -1.778 1.00 34.05 H new ATOM 0 HD3 ARG A 72 12.687 -6.539 -1.988 1.00 34.05 H new ATOM 0 HE ARG A 72 14.890 -5.158 -3.496 1.00 35.08 H new ATOM 0 HH11 ARG A 72 12.309 -7.730 -3.770 1.00 35.02 H new ATOM 0 HH12 ARG A 72 12.129 -7.460 -5.507 1.00 35.02 H new ATOM 0 HH21 ARG A 72 14.228 -4.625 -5.659 1.00 34.97 H new ATOM 0 HH22 ARG A 72 13.181 -5.735 -6.549 1.00 34.97 H new ATOM 1174 N LEU A 73 15.587 -2.200 0.394 1.00 28.93 N ATOM 1175 CA LEU A 73 16.889 -1.631 0.229 1.00 30.76 C ATOM 1176 C LEU A 73 17.887 -2.641 -0.222 1.00 32.18 C ATOM 1177 O LEU A 73 18.568 -3.307 0.557 1.00 32.31 O ATOM 1178 CB LEU A 73 17.409 -0.926 1.493 1.00 30.53 C ATOM 1179 CG LEU A 73 16.321 -0.121 2.223 1.00 30.16 C ATOM 1180 CD1 LEU A 73 16.925 0.397 3.540 1.00 29.11 C ATOM 1181 CD2 LEU A 73 15.759 1.052 1.403 1.00 29.57 C ATOM 0 H LEU A 73 15.423 -2.595 1.320 1.00 28.93 H new ATOM 0 HA LEU A 73 16.769 -0.876 -0.548 1.00 30.76 H new ATOM 0 HB2 LEU A 73 17.821 -1.671 2.174 1.00 30.53 H new ATOM 0 HB3 LEU A 73 18.226 -0.258 1.220 1.00 30.53 H new ATOM 0 HG LEU A 73 15.474 -0.785 2.398 1.00 30.16 H new ATOM 0 HD11 LEU A 73 16.175 0.974 4.082 1.00 29.11 H new ATOM 0 HD12 LEU A 73 17.245 -0.447 4.151 1.00 29.11 H new ATOM 0 HD13 LEU A 73 17.783 1.032 3.322 1.00 29.11 H new ATOM 0 HD21 LEU A 73 14.997 1.571 1.985 1.00 29.57 H new ATOM 0 HD22 LEU A 73 16.565 1.745 1.160 1.00 29.57 H new ATOM 0 HD23 LEU A 73 15.316 0.673 0.482 1.00 29.57 H new ATOM 1193 N ARG A 74 18.055 -2.761 -1.551 1.00 33.82 N ATOM 1194 CA ARG A 74 19.145 -3.464 -2.152 1.00 35.33 C ATOM 1195 C ARG A 74 20.325 -2.564 -2.293 1.00 36.22 C ATOM 1196 O ARG A 74 21.399 -2.818 -1.751 1.00 36.70 O ATOM 1197 CB ARG A 74 18.702 -4.013 -3.519 1.00 36.91 C ATOM 1198 CG ARG A 74 17.983 -5.362 -3.468 1.00 38.62 C ATOM 1199 CD ARG A 74 17.822 -6.057 -4.822 1.00 39.75 C ATOM 1200 NE ARG A 74 17.465 -7.482 -4.573 1.00 41.13 N ATOM 1201 CZ ARG A 74 16.660 -8.287 -5.325 1.00 41.91 C ATOM 1202 NH1 ARG A 74 16.365 -7.893 -6.599 1.00 42.75 N ATOM 1203 NH2 ARG A 74 16.084 -9.426 -4.841 1.00 41.93 N ATOM 0 H ARG A 74 17.411 -2.355 -2.230 1.00 33.82 H new ATOM 0 HA ARG A 74 19.438 -4.299 -1.516 1.00 35.33 H new ATOM 0 HB2 ARG A 74 18.043 -3.284 -3.991 1.00 36.91 H new ATOM 0 HB3 ARG A 74 19.580 -4.109 -4.158 1.00 36.91 H new ATOM 0 HG2 ARG A 74 18.531 -6.025 -2.799 1.00 38.62 H new ATOM 0 HG3 ARG A 74 16.995 -5.215 -3.032 1.00 38.62 H new ATOM 0 HD2 ARG A 74 17.046 -5.568 -5.411 1.00 39.75 H new ATOM 0 HD3 ARG A 74 18.746 -5.991 -5.396 1.00 39.75 H new ATOM 0 HE ARG A 74 17.872 -7.907 -3.740 1.00 41.13 H new ATOM 0 HH11 ARG A 74 16.744 -7.019 -6.963 1.00 42.75 H new ATOM 0 HH12 ARG A 74 15.766 -8.473 -7.186 1.00 42.75 H new ATOM 0 HH21 ARG A 74 16.248 -9.710 -3.875 1.00 41.93 H new ATOM 0 HH22 ARG A 74 15.490 -9.993 -5.445 1.00 41.93 H new ATOM 1217 N GLY A 75 20.086 -1.444 -2.997 1.00 36.31 N ATOM 1218 CA GLY A 75 20.971 -0.322 -2.940 1.00 36.07 C ATOM 1219 C GLY A 75 20.335 0.786 -3.708 1.00 36.16 C ATOM 1220 O GLY A 75 20.100 0.587 -4.899 1.00 36.26 O ATOM 0 H GLY A 75 19.279 -1.315 -3.607 1.00 36.31 H new ATOM 0 HA2 GLY A 75 21.145 -0.022 -1.907 1.00 36.07 H new ATOM 0 HA3 GLY A 75 21.942 -0.577 -3.366 1.00 36.07 H new ATOM 1224 N GLY A 76 20.000 1.896 -3.028 1.00 36.05 N ATOM 1225 CA GLY A 76 19.125 2.918 -3.513 1.00 36.19 C ATOM 1226 C GLY A 76 18.730 3.933 -2.449 1.00 36.20 C ATOM 1227 O GLY A 76 18.687 3.667 -1.218 1.00 36.13 O ATOM 1228 OXT GLY A 76 18.520 5.118 -2.822 1.00 36.27 O ATOM 0 H GLY A 76 20.357 2.091 -2.093 1.00 36.05 H new ATOM 0 HA2 GLY A 76 19.610 3.439 -4.339 1.00 36.19 H new ATOM 0 HA3 GLY A 76 18.224 2.454 -3.914 1.00 36.19 H new TER 1232 GLY A 76