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 55 THR OG1 : rot 125:sc= 0.235 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.228 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.169 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.00245 X(o=0.17,f=0.072) USER MOD Set 3.1: A 7 THR OG1 : rot 121:sc= 0.00596 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.00908 USER MOD Set 4.1: A 6 LYS NZ :NH3+ -174:sc= 0.129 (180deg=0) USER MOD Set 4.2: A 12 THR OG1 : rot 153:sc= 0.128 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 161:sc= 1.24 (180deg=1.07) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.1) USER MOD Single : A 11 LYS NZ :NH3+ -122:sc= 1.22 (180deg=-0.793!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0149 USER MOD Single : A 27 LYS NZ :NH3+ -148:sc= 1.44 (180deg=1.36) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.862 K(o=-0.86,f=-1.5) USER MOD Single : A 33 LYS NZ :NH3+ -117:sc= 0.262 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 1.26 K(o=1.3,f=-3.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.3 X(o=-1.3,f=-1.2) USER MOD Single : A 59 TYR OH : rot 100:sc= -0.123 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) 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= -0.0306 K(o=-0.031,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.446 -6.776 -5.311 1.00 9.67 N ATOM 2 CA MET A 1 11.447 -7.022 -3.910 1.00 10.38 C ATOM 3 C MET A 1 10.040 -7.380 -3.390 1.00 9.62 C ATOM 4 O MET A 1 9.057 -6.933 -3.955 1.00 9.62 O ATOM 5 CB MET A 1 12.160 -5.896 -3.137 1.00 13.77 C ATOM 6 CG MET A 1 11.270 -4.674 -2.928 1.00 16.29 C ATOM 7 SD MET A 1 12.154 -3.446 -1.937 1.00 17.17 S ATOM 8 CE MET A 1 10.681 -2.473 -1.526 1.00 16.11 C ATOM 0 H1 MET A 1 12.298 -6.239 -5.570 1.00 9.67 H new ATOM 0 H2 MET A 1 11.438 -7.682 -5.822 1.00 9.67 H new ATOM 0 H3 MET A 1 10.600 -6.227 -5.566 1.00 9.67 H new ATOM 0 HA MET A 1 12.044 -7.913 -3.716 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.485 -6.275 -2.168 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.057 -5.599 -3.680 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.989 -4.246 -3.891 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.347 -4.965 -2.427 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.966 -1.628 -0.900 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.220 -2.106 -2.443 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.970 -3.099 -0.988 1.00 16.11 H new ATOM 20 N GLN A 2 9.942 -8.131 -2.282 1.00 9.27 N ATOM 21 CA GLN A 2 8.644 -8.521 -1.732 1.00 9.07 C ATOM 22 C GLN A 2 8.124 -7.627 -0.718 1.00 8.72 C ATOM 23 O GLN A 2 8.911 -7.127 0.045 1.00 8.22 O ATOM 24 CB GLN A 2 8.862 -9.874 -1.108 1.00 14.46 C ATOM 25 CG GLN A 2 7.581 -10.537 -0.502 1.00 17.01 C ATOM 26 CD GLN A 2 7.714 -12.049 -0.544 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.931 -12.632 0.529 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.494 -12.659 -1.721 1.00 19.49 N ATOM 0 H GLN A 2 10.744 -8.476 -1.755 1.00 9.27 H new ATOM 0 HA GLN A 2 7.910 -8.505 -2.537 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.277 -10.543 -1.862 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.610 -9.778 -0.321 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.440 -10.204 0.526 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.699 -10.225 -1.062 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.323 -12.104 -2.559 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.498 -13.677 -1.776 1.00 19.49 H new ATOM 37 N ILE A 3 6.827 -7.287 -0.598 1.00 5.87 N ATOM 38 CA ILE A 3 6.251 -6.572 0.504 1.00 5.07 C ATOM 39 C ILE A 3 4.913 -7.302 0.856 1.00 4.01 C ATOM 40 O ILE A 3 4.403 -8.023 0.036 1.00 4.61 O ATOM 41 CB ILE A 3 5.975 -5.029 0.359 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.345 -4.712 -0.972 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.345 -4.298 0.578 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.821 -3.307 -1.014 1.00 10.83 C ATOM 0 H ILE A 3 6.139 -7.525 -1.312 1.00 5.87 H new ATOM 0 HA ILE A 3 7.018 -6.590 1.278 1.00 5.07 H new ATOM 0 HB ILE A 3 5.256 -4.683 1.102 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.080 -4.851 -1.765 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.531 -5.411 -1.166 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.202 -3.221 0.486 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.726 -4.530 1.572 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.061 -4.634 -0.172 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.374 -3.114 -1.989 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.068 -3.176 -0.237 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.640 -2.608 -0.846 1.00 10.83 H new ATOM 56 N PHE A 4 4.440 -7.133 2.093 1.00 4.55 N ATOM 57 CA PHE A 4 3.245 -7.812 2.725 1.00 4.68 C ATOM 58 C PHE A 4 2.298 -6.615 2.982 1.00 5.30 C ATOM 59 O PHE A 4 2.767 -5.507 3.269 1.00 5.58 O ATOM 60 CB PHE A 4 3.599 -8.630 4.016 1.00 4.83 C ATOM 61 CG PHE A 4 4.561 -9.786 3.744 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.093 -11.006 3.255 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.919 -9.591 3.926 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.999 -12.040 2.975 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.803 -10.666 3.705 1.00 10.61 C ATOM 66 CZ PHE A 4 6.361 -11.873 3.176 1.00 8.90 C ATOM 0 H PHE A 4 4.889 -6.485 2.741 1.00 4.55 H new ATOM 0 HA PHE A 4 2.801 -8.583 2.096 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.043 -7.961 4.753 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.681 -9.023 4.454 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.036 -11.154 3.092 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.297 -8.627 4.234 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.630 -12.982 2.597 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.848 -10.549 3.952 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.059 -12.659 2.928 1.00 8.90 H new ATOM 76 N VAL A 5 0.965 -6.794 2.854 1.00 4.44 N ATOM 77 CA VAL A 5 -0.019 -5.751 3.181 1.00 3.87 C ATOM 78 C VAL A 5 -1.048 -6.452 4.018 1.00 4.93 C ATOM 79 O VAL A 5 -1.470 -7.568 3.777 1.00 6.84 O ATOM 80 CB VAL A 5 -0.619 -5.046 1.969 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.659 -4.028 2.421 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.472 -4.145 1.417 1.00 9.13 C ATOM 0 H VAL A 5 0.547 -7.663 2.522 1.00 4.44 H new ATOM 0 HA VAL A 5 0.455 -4.925 3.712 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.021 -5.795 1.287 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.083 -3.529 1.549 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.452 -4.537 2.969 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.187 -3.289 3.069 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.097 -3.612 0.543 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.770 -3.426 2.180 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.333 -4.749 1.131 1.00 9.13 H new ATOM 92 N LYS A 6 -1.447 -5.790 5.115 1.00 6.04 N ATOM 93 CA LYS A 6 -2.449 -6.291 6.074 1.00 6.12 C ATOM 94 C LYS A 6 -3.696 -5.443 6.078 1.00 6.57 C ATOM 95 O LYS A 6 -3.508 -4.270 6.141 1.00 5.76 O ATOM 96 CB LYS A 6 -1.877 -6.262 7.515 1.00 7.45 C ATOM 97 CG LYS A 6 -1.139 -7.522 7.909 1.00 11.12 C ATOM 98 CD LYS A 6 -0.454 -7.378 9.320 1.00 14.54 C ATOM 99 CE LYS A 6 0.257 -8.761 9.820 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.736 -9.810 10.087 1.00 20.55 N ATOM 0 H LYS A 6 -1.076 -4.874 5.367 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.693 -7.307 5.763 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.201 -5.412 7.609 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.695 -6.098 8.216 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.835 -8.361 7.926 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.382 -7.750 7.159 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.293 -6.585 9.277 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.201 -7.073 10.053 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.958 -9.107 9.060 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.836 -8.568 10.723 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.263 -10.640 10.498 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.449 -9.452 10.754 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.201 -10.083 9.197 1.00 20.55 H new ATOM 114 N THR A 7 -4.878 -5.997 6.003 1.00 7.41 N ATOM 115 CA THR A 7 -6.128 -5.293 6.189 1.00 7.48 C ATOM 116 C THR A 7 -6.629 -5.356 7.629 1.00 8.75 C ATOM 117 O THR A 7 -6.311 -6.294 8.331 1.00 8.58 O ATOM 118 CB THR A 7 -7.216 -5.775 5.245 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.942 -6.898 5.715 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.536 -6.100 3.916 1.00 9.17 C ATOM 0 H THR A 7 -5.005 -6.989 5.803 1.00 7.41 H new ATOM 0 HA THR A 7 -5.906 -4.253 5.951 1.00 7.48 H new ATOM 0 HB THR A 7 -7.961 -4.985 5.149 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.893 -6.670 5.777 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.281 -6.452 3.203 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.054 -5.204 3.525 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.787 -6.876 4.071 1.00 9.17 H new ATOM 128 N LEU A 8 -7.509 -4.470 8.060 1.00 9.84 N ATOM 129 CA LEU A 8 -8.145 -4.434 9.361 1.00 14.15 C ATOM 130 C LEU A 8 -9.110 -5.613 9.598 1.00 17.37 C ATOM 131 O LEU A 8 -9.207 -6.086 10.741 1.00 17.01 O ATOM 132 CB LEU A 8 -8.867 -3.078 9.604 1.00 16.63 C ATOM 133 CG LEU A 8 -9.202 -2.656 11.061 1.00 18.88 C ATOM 134 CD1 LEU A 8 -7.920 -2.437 11.836 1.00 19.31 C ATOM 135 CD2 LEU A 8 -10.087 -1.427 11.095 1.00 18.59 C ATOM 0 H LEU A 8 -7.819 -3.702 7.465 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.340 -4.536 10.089 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.249 -2.293 9.167 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.802 -3.097 9.043 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.764 -3.460 11.535 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.158 -2.141 12.858 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -7.342 -3.361 11.851 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -7.335 -1.651 11.358 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -10.301 -1.161 12.130 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.577 -0.598 10.605 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.021 -1.637 10.574 1.00 18.59 H new ATOM 147 N THR A 9 -9.703 -6.170 8.551 1.00 18.33 N ATOM 148 CA THR A 9 -10.517 -7.369 8.594 1.00 19.24 C ATOM 149 C THR A 9 -9.660 -8.624 8.429 1.00 19.48 C ATOM 150 O THR A 9 -10.226 -9.703 8.305 1.00 23.14 O ATOM 151 CB THR A 9 -11.602 -7.380 7.569 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.117 -7.304 6.208 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.634 -6.217 7.788 1.00 19.70 C ATOM 0 H THR A 9 -9.625 -5.780 7.612 1.00 18.33 H new ATOM 0 HA THR A 9 -10.988 -7.367 9.577 1.00 19.24 H new ATOM 0 HB THR A 9 -12.090 -8.345 7.707 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.877 -7.317 5.589 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.405 -6.265 7.019 1.00 19.70 H new ATOM 0 HG22 THR A 9 -13.095 -6.320 8.770 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.120 -5.258 7.727 1.00 19.70 H new ATOM 161 N GLY A 10 -8.283 -8.515 8.600 1.00 19.43 N ATOM 162 CA GLY A 10 -7.480 -9.570 9.101 1.00 18.74 C ATOM 163 C GLY A 10 -6.805 -10.425 8.074 1.00 17.62 C ATOM 164 O GLY A 10 -6.406 -11.551 8.367 1.00 19.74 O ATOM 0 H GLY A 10 -7.758 -7.670 8.377 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.715 -9.142 9.748 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.104 -10.210 9.725 1.00 18.74 H new ATOM 168 N LYS A 11 -6.595 -9.899 6.863 1.00 13.56 N ATOM 169 CA LYS A 11 -6.183 -10.664 5.720 1.00 11.91 C ATOM 170 C LYS A 11 -4.875 -10.214 5.307 1.00 10.18 C ATOM 171 O LYS A 11 -4.675 -9.018 5.019 1.00 9.10 O ATOM 172 CB LYS A 11 -7.127 -10.544 4.501 1.00 13.43 C ATOM 173 CG LYS A 11 -6.807 -11.437 3.320 1.00 16.69 C ATOM 174 CD LYS A 11 -7.884 -11.456 2.250 1.00 17.92 C ATOM 175 CE LYS A 11 -7.655 -12.551 1.179 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.681 -12.474 0.198 1.00 21.93 N ATOM 0 H LYS A 11 -6.714 -8.906 6.663 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.193 -11.707 6.035 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.143 -10.762 4.831 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.118 -9.509 4.161 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.870 -11.107 2.872 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.648 -12.454 3.679 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.854 -11.614 2.722 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.922 -10.482 1.763 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.679 -12.420 0.712 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.655 -13.536 1.645 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -9.181 -13.384 0.147 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.353 -11.724 0.457 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.260 -12.257 -0.728 1.00 21.93 H new ATOM 190 N THR A 12 -3.909 -11.090 5.248 1.00 9.63 N ATOM 191 CA THR A 12 -2.530 -10.735 4.934 1.00 9.85 C ATOM 192 C THR A 12 -2.275 -11.177 3.558 1.00 11.66 C ATOM 193 O THR A 12 -2.410 -12.319 3.201 1.00 12.33 O ATOM 194 CB THR A 12 -1.465 -11.311 5.883 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.736 -10.887 7.219 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.038 -10.821 5.518 1.00 9.63 C ATOM 0 H THR A 12 -4.048 -12.086 5.417 1.00 9.63 H new ATOM 0 HA THR A 12 -2.436 -9.656 5.058 1.00 9.85 H new ATOM 0 HB THR A 12 -1.506 -12.396 5.791 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.377 -11.545 7.850 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.683 -11.251 6.213 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.205 -11.134 4.503 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.001 -9.734 5.582 1.00 9.63 H new ATOM 204 N ILE A 13 -1.739 -10.271 2.636 1.00 10.42 N ATOM 205 CA ILE A 13 -1.418 -10.585 1.257 1.00 11.84 C ATOM 206 C ILE A 13 0.047 -10.271 0.961 1.00 10.55 C ATOM 207 O ILE A 13 0.664 -9.452 1.670 1.00 11.92 O ATOM 208 CB ILE A 13 -2.341 -9.834 0.263 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.178 -8.273 0.190 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.806 -10.201 0.612 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.044 -7.640 -0.875 1.00 16.46 C ATOM 0 H ILE A 13 -1.533 -9.302 2.880 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.586 -11.653 1.120 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.042 -10.165 -0.732 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.428 -7.841 1.159 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.134 -8.031 -0.007 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.482 -9.687 -0.071 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.944 -11.278 0.517 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.024 -9.896 1.636 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.888 -6.561 -0.877 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.777 -8.047 -1.850 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.092 -7.854 -0.667 1.00 16.46 H new ATOM 223 N THR A 14 0.518 -10.982 -0.047 1.00 9.39 N ATOM 224 CA THR A 14 1.924 -10.906 -0.505 1.00 9.63 C ATOM 225 C THR A 14 2.122 -10.353 -1.899 1.00 11.20 C ATOM 226 O THR A 14 1.468 -10.835 -2.869 1.00 11.63 O ATOM 227 CB THR A 14 2.613 -12.352 -0.590 1.00 10.38 C ATOM 228 OG1 THR A 14 2.309 -13.076 0.581 1.00 16.30 O ATOM 229 CG2 THR A 14 4.126 -12.259 -0.700 1.00 11.66 C ATOM 0 H THR A 14 -0.053 -11.635 -0.583 1.00 9.39 H new ATOM 0 HA THR A 14 2.362 -10.245 0.243 1.00 9.63 H new ATOM 0 HB THR A 14 2.228 -12.846 -1.482 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.726 -13.962 0.535 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.549 -13.262 -0.755 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.392 -11.703 -1.599 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.524 -11.745 0.175 1.00 11.66 H new ATOM 237 N LEU A 15 3.034 -9.415 -2.043 1.00 8.29 N ATOM 238 CA LEU A 15 3.098 -8.617 -3.283 1.00 9.03 C ATOM 239 C LEU A 15 4.535 -8.633 -3.810 1.00 8.59 C ATOM 240 O LEU A 15 5.538 -8.633 -3.078 1.00 7.79 O ATOM 241 CB LEU A 15 2.767 -7.124 -3.011 1.00 11.08 C ATOM 242 CG LEU A 15 1.478 -6.780 -2.254 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.302 -5.235 -2.255 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.252 -7.464 -2.963 1.00 15.27 C ATOM 0 H LEU A 15 3.735 -9.177 -1.341 1.00 8.29 H new ATOM 0 HA LEU A 15 2.384 -9.046 -3.985 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.601 -6.697 -2.454 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.731 -6.613 -3.973 1.00 11.08 H new ATOM 0 HG LEU A 15 1.535 -7.143 -1.228 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.389 -4.972 -1.720 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.157 -4.771 -1.763 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.236 -4.877 -3.282 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.663 -7.219 -2.424 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.177 -7.103 -3.989 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.391 -8.545 -2.968 1.00 15.27 H new ATOM 256 N GLU A 16 4.700 -8.608 -5.151 1.00 11.04 N ATOM 257 CA GLU A 16 5.974 -8.351 -5.748 1.00 11.50 C ATOM 258 C GLU A 16 6.012 -6.924 -6.256 1.00 10.13 C ATOM 259 O GLU A 16 5.158 -6.386 -6.955 1.00 9.83 O ATOM 260 CB GLU A 16 6.352 -9.351 -6.854 1.00 17.22 C ATOM 261 CG GLU A 16 7.791 -9.095 -7.306 1.00 23.33 C ATOM 262 CD GLU A 16 8.476 -10.263 -8.021 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.670 -11.335 -7.406 1.00 28.86 O ATOM 264 OE2 GLU A 16 8.934 -9.992 -9.132 1.00 28.90 O ATOM 0 H GLU A 16 3.946 -8.767 -5.820 1.00 11.04 H new ATOM 0 HA GLU A 16 6.728 -8.487 -4.973 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.252 -10.372 -6.485 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.671 -9.249 -7.699 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.796 -8.232 -7.971 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.386 -8.828 -6.432 1.00 23.33 H new ATOM 271 N VAL A 17 7.124 -6.155 -5.951 1.00 8.99 N ATOM 272 CA VAL A 17 7.278 -4.763 -6.268 1.00 8.85 C ATOM 273 C VAL A 17 8.792 -4.317 -6.535 1.00 8.04 C ATOM 274 O VAL A 17 9.742 -5.076 -6.388 1.00 8.99 O ATOM 275 CB VAL A 17 6.846 -3.829 -5.072 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.265 -3.986 -4.846 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.668 -4.091 -3.772 1.00 10.54 C ATOM 0 H VAL A 17 7.934 -6.541 -5.465 1.00 8.99 H new ATOM 0 HA VAL A 17 6.659 -4.655 -7.158 1.00 8.85 H new ATOM 0 HB VAL A 17 7.069 -2.794 -5.333 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.950 -3.346 -4.022 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.737 -3.695 -5.754 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.033 -5.024 -4.609 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.327 -3.420 -2.984 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.527 -5.124 -3.455 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.725 -3.913 -3.968 1.00 10.54 H new ATOM 287 N GLU A 18 9.080 -3.044 -6.988 1.00 7.29 N ATOM 288 CA GLU A 18 10.427 -2.466 -7.061 1.00 7.08 C ATOM 289 C GLU A 18 10.510 -1.376 -6.072 1.00 6.45 C ATOM 290 O GLU A 18 9.443 -0.770 -5.870 1.00 5.28 O ATOM 291 CB GLU A 18 10.706 -1.906 -8.498 1.00 10.28 C ATOM 292 CG GLU A 18 10.889 -3.042 -9.594 1.00 12.65 C ATOM 293 CD GLU A 18 12.116 -3.927 -9.463 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.093 -3.554 -8.730 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.996 -5.035 -10.064 1.00 14.33 O ATOM 0 H GLU A 18 8.355 -2.403 -7.311 1.00 7.29 H new ATOM 0 HA GLU A 18 11.172 -3.232 -6.847 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.882 -1.256 -8.793 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.604 -1.289 -8.471 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.006 -3.680 -9.573 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.916 -2.567 -10.575 1.00 12.65 H new ATOM 302 N PRO A 19 11.588 -1.108 -5.305 1.00 7.24 N ATOM 303 CA PRO A 19 11.663 0.009 -4.360 1.00 7.07 C ATOM 304 C PRO A 19 11.424 1.353 -4.982 1.00 6.65 C ATOM 305 O PRO A 19 11.197 2.327 -4.271 1.00 6.37 O ATOM 306 CB PRO A 19 13.035 -0.097 -3.705 1.00 7.61 C ATOM 307 CG PRO A 19 13.862 -0.776 -4.806 1.00 8.16 C ATOM 308 CD PRO A 19 12.887 -1.782 -5.495 1.00 7.49 C ATOM 0 HA PRO A 19 10.860 -0.065 -3.627 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.436 0.881 -3.437 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.006 -0.691 -2.791 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.241 -0.045 -5.520 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.727 -1.291 -4.387 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.124 -1.927 -6.549 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.912 -2.765 -5.025 1.00 7.49 H new ATOM 316 N SER A 20 11.383 1.403 -6.344 1.00 6.80 N ATOM 317 CA SER A 20 11.196 2.663 -7.040 1.00 6.28 C ATOM 318 C SER A 20 9.753 2.935 -7.307 1.00 8.45 C ATOM 319 O SER A 20 9.381 3.991 -7.788 1.00 7.26 O ATOM 320 CB SER A 20 11.960 2.589 -8.395 1.00 8.57 C ATOM 321 OG SER A 20 11.625 1.364 -9.134 1.00 11.13 O ATOM 0 H SER A 20 11.477 0.589 -6.952 1.00 6.80 H new ATOM 0 HA SER A 20 11.578 3.469 -6.414 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.713 3.460 -9.001 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.034 2.622 -8.211 1.00 8.57 H new ATOM 0 HG SER A 20 12.119 1.347 -9.980 1.00 11.13 H new ATOM 327 N ASP A 21 8.871 1.920 -7.105 1.00 7.50 N ATOM 328 CA ASP A 21 7.487 1.919 -7.301 1.00 7.70 C ATOM 329 C ASP A 21 6.778 2.974 -6.410 1.00 7.08 C ATOM 330 O ASP A 21 7.079 3.098 -5.267 1.00 8.11 O ATOM 331 CB ASP A 21 6.812 0.481 -7.110 1.00 11.00 C ATOM 332 CG ASP A 21 7.205 -0.488 -8.223 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.808 -0.041 -9.224 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.914 -1.717 -8.040 1.00 18.03 O ATOM 0 H ASP A 21 9.195 1.014 -6.767 1.00 7.50 H new ATOM 0 HA ASP A 21 7.347 2.193 -8.347 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.109 0.066 -6.147 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.728 0.589 -7.090 1.00 11.00 H new ATOM 339 N THR A 22 5.715 3.673 -6.927 1.00 5.37 N ATOM 340 CA THR A 22 4.884 4.603 -6.274 1.00 6.01 C ATOM 341 C THR A 22 3.956 3.906 -5.394 1.00 8.01 C ATOM 342 O THR A 22 3.613 2.724 -5.538 1.00 8.11 O ATOM 343 CB THR A 22 4.096 5.575 -7.233 1.00 8.92 C ATOM 344 OG1 THR A 22 3.300 4.903 -8.197 1.00 10.22 O ATOM 345 CG2 THR A 22 5.123 6.502 -7.906 1.00 9.65 C ATOM 0 H THR A 22 5.439 3.550 -7.901 1.00 5.37 H new ATOM 0 HA THR A 22 5.554 5.243 -5.700 1.00 6.01 H new ATOM 0 HB THR A 22 3.385 6.147 -6.637 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.838 5.562 -8.757 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.608 7.189 -8.578 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.654 7.071 -7.143 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.835 5.904 -8.475 1.00 9.65 H new ATOM 353 N ILE A 23 3.395 4.610 -4.398 1.00 8.32 N ATOM 354 CA ILE A 23 2.285 4.094 -3.574 1.00 9.92 C ATOM 355 C ILE A 23 1.104 3.732 -4.426 1.00 10.01 C ATOM 356 O ILE A 23 0.455 2.694 -4.317 1.00 8.71 O ATOM 357 CB ILE A 23 1.879 5.040 -2.488 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.121 5.587 -1.769 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.920 4.493 -1.429 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.204 4.568 -1.447 1.00 12.30 C ATOM 0 H ILE A 23 3.695 5.550 -4.140 1.00 8.32 H new ATOM 0 HA ILE A 23 2.657 3.193 -3.087 1.00 9.92 H new ATOM 0 HB ILE A 23 1.325 5.814 -3.019 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.559 6.371 -2.387 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.801 6.056 -0.838 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.702 5.272 -0.699 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.006 4.174 -1.907 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.380 3.643 -0.926 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.032 5.065 -0.941 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.794 3.794 -0.798 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.563 4.114 -2.371 1.00 12.30 H new ATOM 372 N GLU A 24 0.837 4.535 -5.456 1.00 9.54 N ATOM 373 CA GLU A 24 -0.117 4.273 -6.581 1.00 11.81 C ATOM 374 C GLU A 24 0.078 2.892 -7.251 1.00 11.14 C ATOM 375 O GLU A 24 -0.810 2.065 -7.392 1.00 10.62 O ATOM 376 CB GLU A 24 -0.271 5.368 -7.680 1.00 19.24 C ATOM 377 CG GLU A 24 -1.502 5.031 -8.639 1.00 27.76 C ATOM 378 CD GLU A 24 -1.525 6.017 -9.759 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.454 6.165 -10.429 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.499 6.785 -9.836 1.00 34.80 O ATOM 0 H GLU A 24 1.296 5.441 -5.551 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.059 4.295 -6.032 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.422 6.341 -7.213 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.646 5.435 -8.266 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.409 4.018 -9.030 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.437 5.072 -8.081 1.00 27.76 H new ATOM 387 N ASN A 25 1.330 2.589 -7.618 1.00 9.43 N ATOM 388 CA ASN A 25 1.632 1.322 -8.237 1.00 10.96 C ATOM 389 C ASN A 25 1.428 0.152 -7.355 1.00 9.68 C ATOM 390 O ASN A 25 0.918 -0.885 -7.862 1.00 9.33 O ATOM 391 CB ASN A 25 3.000 1.294 -8.955 1.00 16.78 C ATOM 392 CG ASN A 25 2.793 1.836 -10.388 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.185 1.161 -11.218 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.394 2.961 -10.726 1.00 24.70 N ATOM 0 H ASN A 25 2.132 3.206 -7.493 1.00 9.43 H new ATOM 0 HA ASN A 25 0.880 1.225 -9.020 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.726 1.904 -8.417 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.395 0.279 -8.984 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.360 3.287 -11.692 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.892 3.505 -10.021 1.00 24.70 H new ATOM 401 N VAL A 26 1.780 0.217 -6.057 1.00 6.52 N ATOM 402 CA VAL A 26 1.467 -0.818 -5.038 1.00 5.53 C ATOM 403 C VAL A 26 -0.067 -0.931 -4.813 1.00 4.42 C ATOM 404 O VAL A 26 -0.486 -2.048 -4.597 1.00 3.40 O ATOM 405 CB VAL A 26 2.173 -0.435 -3.716 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.842 -1.547 -2.718 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.695 -0.308 -3.811 1.00 8.12 C ATOM 0 H VAL A 26 2.301 1.005 -5.673 1.00 6.52 H new ATOM 0 HA VAL A 26 1.823 -1.788 -5.387 1.00 5.53 H new ATOM 0 HB VAL A 26 1.816 0.552 -3.423 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.316 -1.330 -1.761 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.762 -1.605 -2.583 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.212 -2.499 -3.098 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.099 -0.037 -2.836 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.120 -1.260 -4.128 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.951 0.464 -4.537 1.00 8.12 H new ATOM 417 N LYS A 27 -0.817 0.155 -4.742 1.00 2.64 N ATOM 418 CA LYS A 27 -2.252 0.090 -4.644 1.00 4.14 C ATOM 419 C LYS A 27 -2.915 -0.566 -5.865 1.00 5.58 C ATOM 420 O LYS A 27 -3.881 -1.267 -5.633 1.00 4.11 O ATOM 421 CB LYS A 27 -2.929 1.454 -4.275 1.00 3.97 C ATOM 422 CG LYS A 27 -2.430 1.820 -2.913 1.00 7.45 C ATOM 423 CD LYS A 27 -3.190 3.037 -2.282 1.00 9.02 C ATOM 424 CE LYS A 27 -2.970 4.351 -2.941 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.914 5.400 -2.469 1.00 15.47 N ATOM 0 H LYS A 27 -0.442 1.103 -4.751 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.432 -0.571 -3.796 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.672 2.224 -5.002 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.015 1.362 -4.279 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.528 0.958 -2.254 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.368 2.056 -2.974 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.258 2.820 -2.295 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.895 3.123 -1.236 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.947 4.679 -2.754 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.075 4.233 -4.020 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.113 6.063 -3.245 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.801 4.955 -2.159 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.489 5.917 -1.673 1.00 15.47 H new ATOM 439 N ALA A 28 -2.396 -0.369 -7.112 1.00 6.61 N ATOM 440 CA ALA A 28 -2.714 -1.070 -8.376 1.00 7.74 C ATOM 441 C ALA A 28 -2.370 -2.579 -8.269 1.00 9.17 C ATOM 442 O ALA A 28 -3.214 -3.421 -8.700 1.00 11.45 O ATOM 443 CB ALA A 28 -1.989 -0.395 -9.546 1.00 7.68 C ATOM 0 H ALA A 28 -1.685 0.347 -7.263 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.785 -1.001 -8.564 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.228 -0.917 -10.472 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.309 0.644 -9.622 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.913 -0.431 -9.377 1.00 7.68 H new ATOM 449 N LYS A 29 -1.299 -2.926 -7.597 1.00 8.96 N ATOM 450 CA LYS A 29 -0.919 -4.303 -7.304 1.00 7.90 C ATOM 451 C LYS A 29 -1.917 -4.977 -6.340 1.00 6.92 C ATOM 452 O LYS A 29 -2.328 -6.180 -6.488 1.00 6.87 O ATOM 453 CB LYS A 29 0.542 -4.412 -6.746 1.00 10.28 C ATOM 454 CG LYS A 29 1.078 -5.832 -6.906 1.00 14.94 C ATOM 455 CD LYS A 29 1.313 -6.385 -8.324 1.00 19.69 C ATOM 456 CE LYS A 29 2.463 -5.733 -9.061 1.00 22.63 C ATOM 457 NZ LYS A 29 2.600 -6.297 -10.397 1.00 24.98 N ATOM 0 H LYS A 29 -0.641 -2.242 -7.223 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.949 -4.836 -8.254 1.00 7.90 H new ATOM 0 HB2 LYS A 29 1.191 -3.712 -7.273 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.556 -4.129 -5.693 1.00 10.28 H new ATOM 0 HG2 LYS A 29 2.025 -5.889 -6.369 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.385 -6.505 -6.401 1.00 14.94 H new ATOM 0 HD2 LYS A 29 1.500 -7.457 -8.258 1.00 19.69 H new ATOM 0 HD3 LYS A 29 0.402 -6.256 -8.908 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.296 -4.658 -9.129 1.00 22.63 H new ATOM 0 HE3 LYS A 29 3.388 -5.877 -8.503 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.394 -5.838 -10.888 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 2.781 -7.319 -10.326 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 1.723 -6.138 -10.933 1.00 24.98 H new ATOM 471 N ILE A 30 -2.306 -4.165 -5.336 1.00 4.57 N ATOM 472 CA ILE A 30 -3.389 -4.576 -4.476 1.00 5.58 C ATOM 473 C ILE A 30 -4.771 -4.682 -5.144 1.00 7.26 C ATOM 474 O ILE A 30 -5.561 -5.571 -4.835 1.00 9.46 O ATOM 475 CB ILE A 30 -3.470 -3.739 -3.205 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.119 -3.687 -2.342 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.549 -4.317 -2.346 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.020 -2.655 -1.268 1.00 2.00 C ATOM 0 H ILE A 30 -1.893 -3.258 -5.120 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.121 -5.599 -4.214 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.667 -2.715 -3.521 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.978 -4.665 -1.881 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.287 -3.536 -3.030 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.631 -3.738 -1.426 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.498 -4.284 -2.882 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.306 -5.351 -2.103 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.054 -2.739 -0.770 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.116 -1.662 -1.707 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.817 -2.809 -0.541 1.00 2.00 H new ATOM 490 N GLN A 31 -5.131 -3.773 -6.091 1.00 7.06 N ATOM 491 CA GLN A 31 -6.276 -3.985 -6.939 1.00 8.67 C ATOM 492 C GLN A 31 -6.141 -5.275 -7.793 1.00 10.90 C ATOM 493 O GLN A 31 -7.179 -5.918 -7.998 1.00 9.63 O ATOM 494 CB GLN A 31 -6.460 -2.796 -7.911 1.00 9.12 C ATOM 495 CG GLN A 31 -7.816 -2.968 -8.679 1.00 10.76 C ATOM 496 CD GLN A 31 -8.199 -1.662 -9.310 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.292 -1.115 -9.115 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.294 -1.200 -10.241 1.00 14.76 N ATOM 0 H GLN A 31 -4.631 -2.901 -6.265 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.135 -4.081 -6.275 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.456 -1.856 -7.360 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.630 -2.755 -8.617 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.719 -3.739 -9.443 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.597 -3.296 -7.993 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.404 -1.681 -10.370 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.514 -0.377 -10.801 1.00 14.76 H new ATOM 507 N ASP A 32 -4.925 -5.611 -8.262 1.00 10.93 N ATOM 508 CA ASP A 32 -4.765 -6.817 -9.093 1.00 14.01 C ATOM 509 C ASP A 32 -5.059 -8.049 -8.113 1.00 14.04 C ATOM 510 O ASP A 32 -5.486 -9.105 -8.532 1.00 13.39 O ATOM 511 CB ASP A 32 -3.319 -6.936 -9.578 1.00 18.01 C ATOM 512 CG ASP A 32 -3.222 -7.921 -10.719 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.938 -7.729 -11.737 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.393 -8.857 -10.693 1.00 25.17 O ATOM 0 H ASP A 32 -4.068 -5.086 -8.088 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.424 -6.788 -9.960 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -2.956 -5.960 -9.901 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.679 -7.258 -8.756 1.00 18.01 H new ATOM 519 N LYS A 33 -4.649 -7.968 -6.849 1.00 14.22 N ATOM 520 CA LYS A 33 -4.984 -9.001 -5.837 1.00 14.00 C ATOM 521 C LYS A 33 -6.490 -9.120 -5.391 1.00 12.37 C ATOM 522 O LYS A 33 -7.002 -10.210 -5.121 1.00 12.17 O ATOM 523 CB LYS A 33 -4.187 -8.724 -4.527 1.00 18.62 C ATOM 524 CG LYS A 33 -2.735 -9.028 -4.733 1.00 24.00 C ATOM 525 CD LYS A 33 -2.455 -10.538 -4.838 1.00 27.61 C ATOM 526 CE LYS A 33 -0.950 -10.740 -5.228 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.542 -12.099 -4.800 1.00 30.06 N ATOM 0 H LYS A 33 -4.082 -7.201 -6.488 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.730 -9.928 -6.351 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.310 -7.682 -4.231 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.583 -9.335 -3.715 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.390 -8.534 -5.641 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.160 -8.612 -3.906 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.669 -11.030 -3.889 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.104 -10.992 -5.586 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.817 -10.624 -6.304 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.327 -9.986 -4.746 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.207 -12.027 -4.082 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.361 -12.597 -4.397 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.185 -12.629 -5.621 1.00 30.06 H new ATOM 541 N GLU A 34 -7.184 -7.969 -5.114 1.00 10.11 N ATOM 542 CA GLU A 34 -8.353 -7.961 -4.211 1.00 10.07 C ATOM 543 C GLU A 34 -9.490 -7.048 -4.777 1.00 9.32 C ATOM 544 O GLU A 34 -10.562 -6.966 -4.218 1.00 11.61 O ATOM 545 CB GLU A 34 -7.944 -7.561 -2.799 1.00 14.77 C ATOM 546 CG GLU A 34 -7.214 -8.683 -2.098 1.00 18.75 C ATOM 547 CD GLU A 34 -7.952 -9.887 -1.624 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.039 -9.722 -0.980 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.503 -11.050 -1.802 1.00 25.19 O ATOM 0 H GLU A 34 -6.948 -7.056 -5.503 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.754 -8.973 -4.155 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.305 -6.679 -2.840 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.830 -7.287 -2.226 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.433 -9.030 -2.774 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.715 -8.250 -1.231 1.00 18.75 H new ATOM 556 N GLY A 35 -9.278 -6.334 -5.944 1.00 7.22 N ATOM 557 CA GLY A 35 -10.387 -5.611 -6.609 1.00 6.29 C ATOM 558 C GLY A 35 -10.823 -4.290 -5.975 1.00 6.93 C ATOM 559 O GLY A 35 -11.831 -3.755 -6.451 1.00 7.41 O ATOM 0 H GLY A 35 -8.376 -6.256 -6.414 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.094 -5.413 -7.640 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.252 -6.273 -6.645 1.00 6.29 H new ATOM 563 N ILE A 36 -10.142 -3.763 -4.979 1.00 5.86 N ATOM 564 CA ILE A 36 -10.406 -2.513 -4.266 1.00 6.07 C ATOM 565 C ILE A 36 -9.858 -1.357 -5.063 1.00 6.36 C ATOM 566 O ILE A 36 -8.692 -1.293 -5.273 1.00 6.18 O ATOM 567 CB ILE A 36 -9.803 -2.605 -2.887 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.114 -3.913 -2.150 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.242 -1.299 -2.151 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.479 -4.046 -0.755 1.00 9.49 C ATOM 0 H ILE A 36 -9.316 -4.233 -4.609 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.477 -2.345 -4.151 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.715 -2.659 -2.933 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.195 -4.007 -2.050 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.778 -4.747 -2.766 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.838 -1.298 -1.139 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.865 -0.432 -2.693 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.330 -1.254 -2.107 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.759 -5.004 -0.318 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.394 -3.990 -0.842 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.834 -3.238 -0.115 1.00 9.49 H new ATOM 582 N PRO A 37 -10.565 -0.361 -5.547 1.00 8.65 N ATOM 583 CA PRO A 37 -10.016 0.783 -6.307 1.00 9.18 C ATOM 584 C PRO A 37 -8.766 1.557 -5.740 1.00 9.85 C ATOM 585 O PRO A 37 -8.828 1.893 -4.544 1.00 8.51 O ATOM 586 CB PRO A 37 -11.205 1.690 -6.442 1.00 11.42 C ATOM 587 CG PRO A 37 -12.317 0.730 -6.502 1.00 9.27 C ATOM 588 CD PRO A 37 -11.992 -0.243 -5.436 1.00 8.33 C ATOM 0 HA PRO A 37 -9.580 0.404 -7.231 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.298 2.370 -5.595 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.149 2.306 -7.340 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.276 1.216 -6.323 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.380 0.249 -7.478 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.294 0.117 -4.452 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.492 -1.199 -5.593 1.00 8.33 H new ATOM 596 N PRO A 38 -7.684 1.946 -6.454 1.00 8.71 N ATOM 597 CA PRO A 38 -6.464 2.530 -5.798 1.00 9.08 C ATOM 598 C PRO A 38 -6.717 3.719 -4.937 1.00 9.28 C ATOM 599 O PRO A 38 -6.048 3.841 -3.876 1.00 6.50 O ATOM 600 CB PRO A 38 -5.433 2.634 -6.944 1.00 10.31 C ATOM 601 CG PRO A 38 -5.747 1.391 -7.791 1.00 10.81 C ATOM 602 CD PRO A 38 -7.269 1.292 -7.666 1.00 12.00 C ATOM 0 HA PRO A 38 -6.051 1.902 -5.008 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.553 3.555 -7.515 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.409 2.622 -6.570 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.430 1.513 -8.827 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.248 0.501 -7.408 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.748 1.757 -8.528 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.578 0.247 -7.655 1.00 12.00 H new ATOM 610 N ASP A 39 -7.636 4.645 -5.272 1.00 11.20 N ATOM 611 CA ASP A 39 -7.980 5.839 -4.564 1.00 14.96 C ATOM 612 C ASP A 39 -8.640 5.519 -3.228 1.00 13.99 C ATOM 613 O ASP A 39 -8.397 6.187 -2.244 1.00 13.75 O ATOM 614 CB ASP A 39 -8.817 6.816 -5.434 1.00 24.16 C ATOM 615 CG ASP A 39 -8.969 8.112 -4.755 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.956 8.832 -4.531 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.126 8.384 -4.360 1.00 35.55 O ATOM 0 H ASP A 39 -8.190 4.544 -6.122 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.053 6.366 -4.338 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -8.331 6.960 -6.399 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -9.799 6.386 -5.632 1.00 24.16 H new ATOM 622 N GLN A 40 -9.475 4.474 -3.138 1.00 11.60 N ATOM 623 CA GLN A 40 -10.240 4.071 -1.930 1.00 10.76 C ATOM 624 C GLN A 40 -9.335 3.434 -0.869 1.00 8.01 C ATOM 625 O GLN A 40 -9.525 3.616 0.319 1.00 8.96 O ATOM 626 CB GLN A 40 -11.413 3.099 -2.351 1.00 11.14 C ATOM 627 CG GLN A 40 -12.253 2.777 -1.137 1.00 14.85 C ATOM 628 CD GLN A 40 -13.477 1.841 -1.493 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.559 0.771 -0.884 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.316 2.309 -2.428 1.00 18.16 N ATOM 0 H GLN A 40 -9.649 3.857 -3.931 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.667 4.964 -1.474 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.029 3.565 -3.121 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.006 2.183 -2.780 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.632 2.290 -0.385 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.621 3.703 -0.695 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.141 3.215 -2.863 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.129 1.759 -2.705 1.00 18.16 H new ATOM 639 N GLN A 41 -8.339 2.694 -1.319 1.00 6.52 N ATOM 640 CA GLN A 41 -7.240 2.244 -0.496 1.00 3.87 C ATOM 641 C GLN A 41 -6.360 3.295 0.125 1.00 4.79 C ATOM 642 O GLN A 41 -5.990 4.271 -0.515 1.00 6.34 O ATOM 643 CB GLN A 41 -6.397 1.294 -1.417 1.00 4.20 C ATOM 644 CG GLN A 41 -7.102 0.097 -1.952 1.00 3.20 C ATOM 645 CD GLN A 41 -6.056 -0.811 -2.660 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.092 -1.242 -2.112 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.180 -0.872 -4.019 1.00 7.13 N ATOM 0 H GLN A 41 -8.273 2.384 -2.289 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.668 1.765 0.385 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.025 1.877 -2.260 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.527 0.955 -0.854 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.592 -0.447 -1.145 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.881 0.397 -2.653 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.013 -0.498 -4.472 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.439 -1.292 -4.580 1.00 7.13 H new ATOM 656 N ARG A 42 -6.191 3.203 1.490 1.00 5.73 N ATOM 657 CA ARG A 42 -5.284 4.017 2.235 1.00 6.97 C ATOM 658 C ARG A 42 -4.315 3.159 2.863 1.00 7.15 C ATOM 659 O ARG A 42 -4.616 2.169 3.498 1.00 7.33 O ATOM 660 CB ARG A 42 -6.148 4.852 3.226 1.00 13.23 C ATOM 661 CG ARG A 42 -6.641 6.096 2.445 1.00 21.27 C ATOM 662 CD ARG A 42 -6.849 7.366 3.263 1.00 26.14 C ATOM 663 NE ARG A 42 -7.175 8.491 2.266 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.235 9.815 2.613 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.394 10.205 3.853 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.167 10.705 1.606 1.00 36.39 N ATOM 0 H ARG A 42 -6.708 2.540 2.068 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.712 4.715 1.624 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.991 4.266 3.593 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.562 5.148 4.096 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.922 6.311 1.655 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.583 5.844 1.958 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.661 7.236 3.978 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.954 7.606 3.837 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.356 8.238 1.295 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.478 9.514 4.598 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -7.434 11.200 4.074 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.076 10.380 0.643 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.207 11.705 1.805 1.00 36.39 H new ATOM 680 N LEU A 43 -2.985 3.492 2.771 1.00 4.65 N ATOM 681 CA LEU A 43 -1.897 2.678 3.258 1.00 3.51 C ATOM 682 C LEU A 43 -1.114 3.424 4.307 1.00 5.56 C ATOM 683 O LEU A 43 -0.911 4.637 4.310 1.00 4.19 O ATOM 684 CB LEU A 43 -0.920 2.210 2.101 1.00 3.74 C ATOM 685 CG LEU A 43 -1.460 1.265 0.980 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.461 0.992 -0.180 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.880 -0.066 1.610 1.00 6.41 C ATOM 0 H LEU A 43 -2.669 4.361 2.340 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.345 1.784 3.692 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.534 3.106 1.616 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.072 1.711 2.570 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.304 1.785 0.527 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.923 0.327 -0.909 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.198 1.933 -0.663 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.440 0.524 0.218 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.258 -0.732 0.835 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.020 -0.526 2.096 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.661 0.112 2.349 1.00 6.41 H new ATOM 699 N ILE A 44 -0.739 2.623 5.382 1.00 4.58 N ATOM 700 CA ILE A 44 -0.179 3.153 6.675 1.00 5.55 C ATOM 701 C ILE A 44 1.091 2.393 6.868 1.00 5.46 C ATOM 702 O ILE A 44 1.125 1.167 6.818 1.00 6.04 O ATOM 703 CB ILE A 44 -1.135 3.105 7.869 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.275 4.109 7.767 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.399 3.328 9.169 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.558 3.591 8.433 1.00 13.90 C ATOM 0 H ILE A 44 -0.820 1.606 5.365 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.004 4.227 6.614 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.568 2.105 7.853 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.976 5.046 8.236 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.474 4.327 6.718 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.105 3.288 9.998 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.356 2.552 9.297 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.084 4.305 9.151 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.345 4.339 8.337 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.873 2.668 7.947 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.368 3.398 9.489 1.00 13.90 H new ATOM 718 N PHE A 45 2.190 3.124 7.117 1.00 6.75 N ATOM 719 CA PHE A 45 3.366 2.444 7.669 1.00 4.70 C ATOM 720 C PHE A 45 4.031 3.543 8.543 1.00 6.34 C ATOM 721 O PHE A 45 4.167 4.676 8.130 1.00 5.45 O ATOM 722 CB PHE A 45 4.250 1.911 6.455 1.00 5.51 C ATOM 723 CG PHE A 45 5.614 1.347 6.774 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.756 0.155 7.497 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.866 2.002 6.470 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.994 -0.400 7.853 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.147 1.448 6.723 1.00 6.64 C ATOM 728 CZ PHE A 45 8.174 0.274 7.461 1.00 6.84 C ATOM 0 H PHE A 45 2.287 4.126 6.956 1.00 6.75 H new ATOM 0 HA PHE A 45 3.175 1.560 8.277 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.680 1.138 5.939 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.383 2.733 5.751 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.860 -0.367 7.798 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.823 2.982 6.018 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.045 -1.321 8.414 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.051 1.915 6.361 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.130 -0.140 7.746 1.00 6.84 H new ATOM 738 N ALA A 46 4.450 3.182 9.768 1.00 6.53 N ATOM 739 CA ALA A 46 5.268 3.934 10.700 1.00 7.15 C ATOM 740 C ALA A 46 4.571 5.221 11.150 1.00 9.00 C ATOM 741 O ALA A 46 5.236 6.251 11.309 1.00 11.15 O ATOM 742 CB ALA A 46 6.727 4.158 10.170 1.00 8.99 C ATOM 0 H ALA A 46 4.195 2.273 10.153 1.00 6.53 H new ATOM 0 HA ALA A 46 5.384 3.327 11.598 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.298 4.726 10.905 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.206 3.193 10.005 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.692 4.711 9.231 1.00 8.99 H new ATOM 748 N GLY A 47 3.293 5.244 11.441 1.00 9.35 N ATOM 749 CA GLY A 47 2.594 6.448 11.941 1.00 11.68 C ATOM 750 C GLY A 47 2.281 7.433 10.883 1.00 11.14 C ATOM 751 O GLY A 47 1.620 8.435 11.182 1.00 13.93 O ATOM 0 H GLY A 47 2.686 4.430 11.343 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.668 6.144 12.428 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.211 6.927 12.701 1.00 11.68 H new ATOM 755 N LYS A 48 2.584 7.204 9.648 1.00 10.47 N ATOM 756 CA LYS A 48 2.387 8.106 8.570 1.00 8.82 C ATOM 757 C LYS A 48 1.504 7.392 7.629 1.00 7.68 C ATOM 758 O LYS A 48 1.580 6.114 7.618 1.00 6.47 O ATOM 759 CB LYS A 48 3.648 8.543 7.802 1.00 9.74 C ATOM 760 CG LYS A 48 4.518 9.394 8.787 1.00 14.14 C ATOM 761 CD LYS A 48 5.729 10.066 8.147 1.00 16.32 C ATOM 762 CE LYS A 48 6.799 9.129 7.422 1.00 20.04 C ATOM 763 NZ LYS A 48 8.009 9.979 7.077 1.00 23.92 N ATOM 0 H LYS A 48 3.003 6.323 9.350 1.00 10.47 H new ATOM 0 HA LYS A 48 1.990 9.031 8.988 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.204 7.674 7.450 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.379 9.128 6.922 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.888 10.162 9.236 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.862 8.750 9.596 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.365 10.788 7.416 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.248 10.631 8.922 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.086 8.304 8.073 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.372 8.690 6.520 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.723 9.390 6.602 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.721 10.752 6.444 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.413 10.378 7.948 1.00 23.92 H new ATOM 777 N GLN A 49 0.666 8.110 6.886 1.00 8.89 N ATOM 778 CA GLN A 49 -0.173 7.577 5.823 1.00 7.18 C ATOM 779 C GLN A 49 0.282 7.922 4.427 1.00 8.23 C ATOM 780 O GLN A 49 0.223 9.053 3.944 1.00 9.70 O ATOM 781 CB GLN A 49 -1.670 8.010 6.037 1.00 11.67 C ATOM 782 CG GLN A 49 -2.682 7.450 4.960 1.00 15.82 C ATOM 783 CD GLN A 49 -4.051 7.805 5.471 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.691 6.982 6.158 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.507 9.088 5.257 1.00 20.67 N ATOM 0 H GLN A 49 0.550 9.115 7.014 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.081 6.493 5.897 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.992 7.679 7.024 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.723 9.099 6.033 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.501 7.896 3.982 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.574 6.372 4.844 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.960 9.736 4.690 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.392 9.389 5.665 1.00 20.67 H new ATOM 794 N LEU A 50 0.750 6.838 3.759 1.00 6.51 N ATOM 795 CA LEU A 50 1.417 6.872 2.516 1.00 7.41 C ATOM 796 C LEU A 50 0.681 7.355 1.228 1.00 8.27 C ATOM 797 O LEU A 50 -0.238 6.663 0.793 1.00 8.34 O ATOM 798 CB LEU A 50 2.062 5.452 2.270 1.00 7.13 C ATOM 799 CG LEU A 50 2.639 4.641 3.401 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.364 3.376 2.819 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.630 5.336 4.298 1.00 9.11 C ATOM 0 H LEU A 50 0.647 5.891 4.124 1.00 6.51 H new ATOM 0 HA LEU A 50 2.128 7.687 2.649 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.298 4.835 1.796 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.860 5.589 1.540 1.00 7.13 H new ATOM 0 HG LEU A 50 1.772 4.413 4.020 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.782 2.788 3.636 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.648 2.769 2.265 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.166 3.691 2.151 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.969 4.645 5.070 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.484 5.668 3.708 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.155 6.198 4.766 1.00 9.11 H new ATOM 813 N GLU A 51 1.028 8.520 0.686 1.00 9.43 N ATOM 814 CA GLU A 51 0.359 9.221 -0.343 1.00 11.90 C ATOM 815 C GLU A 51 0.663 8.631 -1.706 1.00 11.49 C ATOM 816 O GLU A 51 1.823 8.237 -1.922 1.00 9.88 O ATOM 817 CB GLU A 51 0.723 10.741 -0.379 1.00 16.56 C ATOM 818 CG GLU A 51 0.553 11.370 0.991 1.00 26.06 C ATOM 819 CD GLU A 51 0.675 12.929 1.044 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.829 13.426 0.915 1.00 33.44 O ATOM 821 OE2 GLU A 51 -0.317 13.604 1.351 1.00 32.13 O ATOM 0 H GLU A 51 1.860 9.018 1.002 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.702 9.119 -0.116 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.752 10.865 -0.715 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.088 11.254 -1.101 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.425 11.087 1.381 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.299 10.943 1.661 1.00 26.06 H new ATOM 828 N ASP A 52 -0.309 8.563 -2.647 1.00 12.71 N ATOM 829 CA ASP A 52 -0.271 7.964 -3.919 1.00 16.56 C ATOM 830 C ASP A 52 1.001 8.198 -4.787 1.00 15.83 C ATOM 831 O ASP A 52 1.488 7.266 -5.349 1.00 17.21 O ATOM 832 CB ASP A 52 -1.585 8.449 -4.629 1.00 21.05 C ATOM 833 CG ASP A 52 -2.822 8.433 -3.782 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.895 9.210 -2.778 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.686 7.541 -4.038 1.00 25.82 O ATOM 0 H ASP A 52 -1.221 8.985 -2.472 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.213 6.883 -3.791 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.427 9.465 -4.991 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.757 7.822 -5.504 1.00 21.05 H new ATOM 840 N GLY A 53 1.512 9.454 -4.952 1.00 15.00 N ATOM 841 CA GLY A 53 2.712 9.715 -5.841 1.00 11.77 C ATOM 842 C GLY A 53 4.068 9.643 -5.256 1.00 11.10 C ATOM 843 O GLY A 53 5.088 9.636 -5.962 1.00 11.25 O ATOM 0 H GLY A 53 1.133 10.287 -4.501 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.671 9.003 -6.666 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.592 10.709 -6.272 1.00 11.77 H new ATOM 847 N ARG A 54 4.085 9.442 -3.995 1.00 8.53 N ATOM 848 CA ARG A 54 5.281 9.051 -3.297 1.00 9.05 C ATOM 849 C ARG A 54 5.817 7.648 -3.664 1.00 8.96 C ATOM 850 O ARG A 54 5.007 6.753 -4.048 1.00 11.60 O ATOM 851 CB ARG A 54 5.070 9.119 -1.742 1.00 7.97 C ATOM 852 CG ARG A 54 4.446 10.391 -1.071 1.00 9.62 C ATOM 853 CD ARG A 54 5.372 11.616 -1.032 1.00 12.20 C ATOM 854 NE ARG A 54 4.644 12.599 -0.190 1.00 18.23 N ATOM 855 CZ ARG A 54 5.131 13.784 0.221 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.311 14.225 -0.087 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.262 14.564 0.897 1.00 23.38 N ATOM 0 H ARG A 54 3.266 9.541 -3.396 1.00 8.53 H new ATOM 0 HA ARG A 54 6.033 9.770 -3.622 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.442 8.271 -1.467 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.044 8.958 -1.279 1.00 7.97 H new ATOM 0 HG2 ARG A 54 3.535 10.658 -1.607 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.154 10.141 -0.051 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.343 11.367 -0.604 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.556 12.008 -2.032 1.00 12.20 H new ATOM 0 HE ARG A 54 3.697 12.356 0.101 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.928 13.663 -0.673 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.622 15.134 0.257 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.309 14.240 1.064 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.558 15.478 1.241 1.00 23.38 H new ATOM 871 N THR A 55 7.140 7.313 -3.560 1.00 9.05 N ATOM 872 CA THR A 55 7.679 6.016 -3.856 1.00 9.03 C ATOM 873 C THR A 55 7.967 5.165 -2.582 1.00 8.15 C ATOM 874 O THR A 55 8.002 5.659 -1.441 1.00 5.91 O ATOM 875 CB THR A 55 8.986 5.959 -4.654 1.00 11.15 C ATOM 876 OG1 THR A 55 9.972 6.774 -4.047 1.00 11.95 O ATOM 877 CG2 THR A 55 8.694 6.440 -6.119 1.00 11.71 C ATOM 0 H THR A 55 7.850 7.980 -3.257 1.00 9.05 H new ATOM 0 HA THR A 55 6.869 5.624 -4.471 1.00 9.03 H new ATOM 0 HB THR A 55 9.367 4.938 -4.672 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.771 6.238 -3.863 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.614 6.406 -6.703 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.950 5.787 -6.575 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.315 7.462 -6.098 1.00 11.71 H new ATOM 885 N LEU A 56 8.227 3.794 -2.690 1.00 6.91 N ATOM 886 CA LEU A 56 8.551 2.906 -1.568 1.00 8.29 C ATOM 887 C LEU A 56 9.860 3.265 -0.921 1.00 8.05 C ATOM 888 O LEU A 56 9.921 3.312 0.316 1.00 10.17 O ATOM 889 CB LEU A 56 8.601 1.437 -2.076 1.00 6.60 C ATOM 890 CG LEU A 56 7.266 0.713 -2.377 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.440 -0.722 -2.851 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.332 0.743 -1.168 1.00 8.64 C ATOM 0 H LEU A 56 8.207 3.307 -3.586 1.00 6.91 H new ATOM 0 HA LEU A 56 7.773 3.021 -0.813 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.199 1.422 -2.987 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.137 0.847 -1.333 1.00 6.60 H new ATOM 0 HG LEU A 56 6.820 1.270 -3.201 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.462 -1.163 -3.042 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.028 -0.733 -3.769 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.955 -1.299 -2.083 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.404 0.226 -1.412 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.812 0.247 -0.325 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.113 1.777 -0.903 1.00 8.64 H new ATOM 904 N SER A 57 10.939 3.578 -1.718 1.00 8.92 N ATOM 905 CA SER A 57 12.219 4.073 -1.333 1.00 9.00 C ATOM 906 C SER A 57 12.181 5.356 -0.452 1.00 9.44 C ATOM 907 O SER A 57 12.902 5.362 0.527 1.00 10.91 O ATOM 908 CB SER A 57 13.145 4.285 -2.546 1.00 10.32 C ATOM 909 OG SER A 57 12.613 5.248 -3.436 1.00 13.59 O ATOM 0 H SER A 57 10.881 3.463 -2.730 1.00 8.92 H new ATOM 0 HA SER A 57 12.631 3.285 -0.703 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.128 4.607 -2.204 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.284 3.339 -3.070 1.00 10.32 H new ATOM 0 HG SER A 57 13.222 5.363 -4.195 1.00 13.59 H new ATOM 915 N ASP A 58 11.391 6.342 -0.836 1.00 9.11 N ATOM 916 CA ASP A 58 11.189 7.570 -0.139 1.00 7.91 C ATOM 917 C ASP A 58 10.640 7.344 1.243 1.00 9.12 C ATOM 918 O ASP A 58 11.158 7.979 2.141 1.00 8.61 O ATOM 919 CB ASP A 58 10.101 8.457 -0.915 1.00 8.41 C ATOM 920 CG ASP A 58 10.147 9.872 -0.460 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.258 10.352 -0.137 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.086 10.567 -0.549 1.00 10.05 O ATOM 0 H ASP A 58 10.847 6.290 -1.697 1.00 9.11 H new ATOM 0 HA ASP A 58 12.159 8.063 -0.081 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.286 8.410 -1.988 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.105 8.048 -0.745 1.00 8.41 H new ATOM 927 N TYR A 59 9.733 6.409 1.406 1.00 7.97 N ATOM 928 CA TYR A 59 9.169 6.111 2.737 1.00 8.45 C ATOM 929 C TYR A 59 9.989 5.101 3.486 1.00 10.98 C ATOM 930 O TYR A 59 9.616 4.672 4.558 1.00 12.95 O ATOM 931 CB TYR A 59 7.737 5.603 2.669 1.00 7.94 C ATOM 932 CG TYR A 59 6.725 6.716 2.641 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.476 7.422 3.849 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.914 6.925 1.519 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.488 8.440 3.899 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.809 7.771 1.607 1.00 6.52 C ATOM 937 CZ TYR A 59 4.699 8.557 2.739 1.00 6.76 C ATOM 938 OH TYR A 59 3.729 9.537 2.699 1.00 7.63 O ATOM 0 H TYR A 59 9.360 5.835 0.649 1.00 7.97 H new ATOM 0 HA TYR A 59 9.185 7.064 3.267 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.617 4.986 1.778 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.542 4.962 3.529 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.043 7.182 4.736 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.144 6.431 0.586 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.352 9.076 4.761 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.068 7.811 0.822 1.00 6.52 H new ATOM 0 HH TYR A 59 4.062 10.306 2.191 1.00 7.63 H new ATOM 948 N ASN A 60 11.144 4.683 2.948 1.00 12.38 N ATOM 949 CA ASN A 60 12.164 3.827 3.546 1.00 13.94 C ATOM 950 C ASN A 60 11.744 2.320 3.612 1.00 14.16 C ATOM 951 O ASN A 60 12.176 1.602 4.465 1.00 14.26 O ATOM 952 CB ASN A 60 12.643 4.325 4.993 1.00 19.23 C ATOM 953 CG ASN A 60 13.437 5.670 4.952 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.507 5.781 4.349 1.00 25.45 O ATOM 955 ND2 ASN A 60 12.893 6.709 5.612 1.00 24.09 N ATOM 0 H ASN A 60 11.405 4.962 2.002 1.00 12.38 H new ATOM 0 HA ASN A 60 13.013 3.910 2.867 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.771 4.446 5.635 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.268 3.556 5.446 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.367 7.612 5.621 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.007 6.593 6.104 1.00 24.09 H new ATOM 962 N ILE A 61 10.934 1.921 2.654 1.00 11.08 N ATOM 963 CA ILE A 61 10.348 0.554 2.660 1.00 11.78 C ATOM 964 C ILE A 61 11.331 -0.443 2.065 1.00 13.74 C ATOM 965 O ILE A 61 11.992 -0.177 1.098 1.00 14.60 O ATOM 966 CB ILE A 61 8.949 0.447 1.961 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.144 1.580 2.652 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.317 -0.918 2.172 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.743 1.820 2.127 1.00 11.42 C ATOM 0 H ILE A 61 10.656 2.499 1.861 1.00 11.08 H new ATOM 0 HA ILE A 61 10.164 0.311 3.707 1.00 11.78 H new ATOM 0 HB ILE A 61 8.993 0.553 0.877 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.077 1.353 3.716 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.709 2.508 2.559 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.349 -0.952 1.672 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.967 -1.688 1.757 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.181 -1.095 3.239 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.280 2.633 2.685 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.791 2.086 1.071 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.149 0.914 2.246 1.00 11.42 H new ATOM 981 N GLN A 62 11.626 -1.520 2.829 1.00 13.97 N ATOM 982 CA GLN A 62 12.704 -2.479 2.548 1.00 15.52 C ATOM 983 C GLN A 62 12.152 -3.851 2.399 1.00 13.94 C ATOM 984 O GLN A 62 10.999 -4.123 2.775 1.00 12.15 O ATOM 985 CB GLN A 62 13.764 -2.430 3.656 1.00 19.53 C ATOM 986 CG GLN A 62 14.532 -1.132 3.655 1.00 26.38 C ATOM 987 CD GLN A 62 15.425 -1.108 4.939 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.116 -0.407 5.901 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.502 -1.908 4.926 1.00 32.71 N ATOM 0 H GLN A 62 11.105 -1.746 3.676 1.00 13.97 H new ATOM 0 HA GLN A 62 13.182 -2.203 1.608 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.281 -2.563 4.624 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.458 -3.261 3.529 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.148 -1.052 2.759 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.848 -0.283 3.648 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.711 -2.469 4.100 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.112 -1.956 5.742 1.00 32.71 H new ATOM 998 N LYS A 63 12.853 -4.841 1.779 1.00 11.73 N ATOM 999 CA LYS A 63 12.325 -6.136 1.341 1.00 11.97 C ATOM 1000 C LYS A 63 11.760 -6.989 2.511 1.00 10.41 C ATOM 1001 O LYS A 63 12.395 -7.151 3.543 1.00 9.59 O ATOM 1002 CB LYS A 63 13.409 -6.797 0.478 1.00 13.73 C ATOM 1003 CG LYS A 63 14.627 -7.440 1.183 1.00 16.98 C ATOM 1004 CD LYS A 63 15.671 -8.206 0.323 1.00 20.19 C ATOM 1005 CE LYS A 63 16.859 -7.376 -0.002 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.637 -6.272 -0.965 1.00 25.97 N ATOM 0 H LYS A 63 13.846 -4.739 1.568 1.00 11.73 H new ATOM 0 HA LYS A 63 11.436 -6.015 0.722 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.929 -7.569 -0.123 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.786 -6.044 -0.214 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.155 -6.650 1.716 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.246 -8.132 1.934 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.992 -9.100 0.858 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.201 -8.539 -0.602 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.245 -6.951 0.925 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.635 -8.029 -0.401 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.529 -5.760 -1.118 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.302 -6.662 -1.869 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.924 -5.618 -0.585 1.00 25.97 H new ATOM 1020 N GLU A 64 10.554 -7.443 2.311 1.00 10.04 N ATOM 1021 CA GLU A 64 9.790 -8.278 3.161 1.00 10.94 C ATOM 1022 C GLU A 64 9.095 -7.512 4.334 1.00 9.74 C ATOM 1023 O GLU A 64 8.491 -7.983 5.309 1.00 9.42 O ATOM 1024 CB GLU A 64 10.477 -9.598 3.663 1.00 18.31 C ATOM 1025 CG GLU A 64 10.918 -10.560 2.500 1.00 24.16 C ATOM 1026 CD GLU A 64 11.651 -11.721 3.051 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.765 -11.922 4.282 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.185 -12.496 2.242 1.00 32.61 O ATOM 0 H GLU A 64 10.042 -7.207 1.461 1.00 10.04 H new ATOM 0 HA GLU A 64 9.015 -8.626 2.478 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.351 -9.338 4.260 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.788 -10.129 4.321 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.042 -10.902 1.948 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.550 -10.023 1.793 1.00 24.16 H new ATOM 1035 N SER A 65 9.056 -6.192 4.244 1.00 6.85 N ATOM 1036 CA SER A 65 8.476 -5.418 5.262 1.00 6.90 C ATOM 1037 C SER A 65 7.003 -5.254 5.029 1.00 4.72 C ATOM 1038 O SER A 65 6.476 -5.498 3.944 1.00 3.91 O ATOM 1039 CB SER A 65 9.094 -3.933 5.199 1.00 7.28 C ATOM 1040 OG SER A 65 8.814 -3.107 6.345 1.00 10.56 O ATOM 0 H SER A 65 9.429 -5.657 3.460 1.00 6.85 H new ATOM 0 HA SER A 65 8.667 -5.915 6.213 1.00 6.90 H new ATOM 0 HB2 SER A 65 10.175 -4.010 5.081 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.711 -3.434 4.309 1.00 7.28 H new ATOM 0 HG SER A 65 9.227 -2.227 6.223 1.00 10.56 H new ATOM 1046 N THR A 66 6.217 -4.923 6.045 1.00 4.48 N ATOM 1047 CA THR A 66 4.703 -5.117 6.037 1.00 3.80 C ATOM 1048 C THR A 66 4.133 -3.779 6.033 1.00 4.60 C ATOM 1049 O THR A 66 4.408 -2.881 6.828 1.00 5.33 O ATOM 1050 CB THR A 66 4.219 -5.954 7.204 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.755 -7.292 7.228 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.700 -6.071 7.253 1.00 3.40 C ATOM 0 H THR A 66 6.570 -4.513 6.909 1.00 4.48 H new ATOM 0 HA THR A 66 4.384 -5.679 5.159 1.00 3.80 H new ATOM 0 HB THR A 66 4.587 -5.409 8.073 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.402 -7.772 8.006 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.409 -6.681 8.108 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.262 -5.078 7.350 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.341 -6.538 6.336 1.00 3.40 H new ATOM 1060 N LEU A 67 3.100 -3.526 5.190 1.00 4.17 N ATOM 1061 CA LEU A 67 2.252 -2.305 5.303 1.00 3.85 C ATOM 1062 C LEU A 67 0.869 -2.615 5.883 1.00 3.80 C ATOM 1063 O LEU A 67 0.543 -3.823 6.069 1.00 5.54 O ATOM 1064 CB LEU A 67 1.854 -1.592 3.969 1.00 7.18 C ATOM 1065 CG LEU A 67 3.174 -1.498 3.143 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.898 -1.130 1.710 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.150 -0.545 3.771 1.00 11.66 C ATOM 0 H LEU A 67 2.832 -4.147 4.426 1.00 4.17 H new ATOM 0 HA LEU A 67 2.904 -1.679 5.912 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.093 -2.159 3.432 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.439 -0.603 4.161 1.00 7.18 H new ATOM 0 HG LEU A 67 3.632 -2.487 3.148 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.838 -1.073 1.162 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.259 -1.888 1.256 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.397 -0.163 1.673 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.058 -0.505 3.169 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.705 0.449 3.824 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.396 -0.886 4.776 1.00 11.66 H new ATOM 1079 N HIS A 68 0.060 -1.663 6.247 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.278 -1.901 6.661 1.00 4.17 C ATOM 1081 C HIS A 68 -2.228 -1.146 5.722 1.00 5.32 C ATOM 1082 O HIS A 68 -1.789 -0.098 5.179 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.489 -1.417 8.158 1.00 5.57 C ATOM 1084 CG HIS A 68 -2.657 -2.143 8.804 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -4.022 -2.016 8.466 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -2.622 -3.117 9.668 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -4.717 -2.873 9.243 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -3.894 -3.627 9.993 1.00 16.30 N ATOM 0 H HIS A 68 0.326 -0.678 6.262 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.488 -2.970 6.617 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.581 -1.597 8.734 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -1.670 -0.342 8.175 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.705 -3.497 10.094 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -5.795 -2.944 9.260 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -4.132 -4.381 10.637 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.472 -1.678 5.492 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.421 -1.178 4.508 1.00 3.97 C ATOM 1098 C LEU A 69 -5.714 -0.942 5.214 1.00 5.07 C ATOM 1099 O LEU A 69 -6.160 -1.801 5.988 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.763 -2.277 3.417 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.941 -1.892 2.470 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.646 -0.628 1.684 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.200 -3.023 1.524 1.00 9.96 C ATOM 0 H LEU A 69 -3.825 -2.483 6.010 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.987 -0.293 4.043 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.874 -2.464 2.815 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.008 -3.211 3.923 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.821 -1.700 3.085 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.492 -0.396 1.037 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.479 0.199 2.374 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.754 -0.778 1.075 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.023 -2.760 0.859 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.304 -3.216 0.934 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.462 -3.917 2.089 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.257 0.169 4.881 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.509 0.643 5.448 1.00 6.26 C ATOM 1117 C VAL A 70 -8.279 1.293 4.236 1.00 9.22 C ATOM 1118 O VAL A 70 -7.681 1.521 3.135 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.299 1.664 6.594 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.717 0.941 7.806 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.274 2.724 6.218 1.00 8.54 C ATOM 0 H VAL A 70 -5.852 0.804 4.193 1.00 4.29 H new ATOM 0 HA VAL A 70 -8.066 -0.174 5.907 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.267 2.123 6.797 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.566 1.654 8.617 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.407 0.162 8.131 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.762 0.490 7.537 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.153 3.423 7.046 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.318 2.246 6.004 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.616 3.264 5.335 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.620 1.526 4.404 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.448 2.029 3.374 1.00 16.06 C ATOM 1133 C LEU A 71 -11.125 3.350 3.618 1.00 18.09 C ATOM 1134 O LEU A 71 -11.550 3.586 4.753 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.578 1.049 2.848 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.090 -0.369 2.606 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.265 -1.323 2.345 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.120 -0.396 1.437 1.00 19.57 C ATOM 0 H LEU A 71 -10.112 1.353 5.280 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.670 2.158 2.621 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.392 1.025 3.572 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.988 1.446 1.920 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.574 -0.708 3.504 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.885 -2.330 2.175 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.930 -1.327 3.209 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.816 -0.990 1.465 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.777 -1.417 1.273 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.621 -0.033 0.540 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.265 0.243 1.659 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.137 4.262 2.619 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.689 5.636 2.766 1.00 25.83 C ATOM 1152 C ARG A 72 -12.519 6.256 1.623 1.00 27.74 C ATOM 1153 O ARG A 72 -12.096 6.229 0.453 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.511 6.539 3.142 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.811 7.857 3.846 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.136 7.730 5.390 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.167 9.149 5.844 1.00 35.08 N ATOM 1158 CZ ARG A 72 -12.174 10.052 5.631 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -13.350 9.708 5.093 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -12.114 11.325 5.930 1.00 35.02 N ATOM 0 H ARG A 72 -10.766 4.070 1.688 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.462 5.548 3.529 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.842 5.964 3.782 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -9.961 6.767 2.229 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -9.955 8.521 3.723 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.657 8.333 3.350 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -12.089 7.230 5.562 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.375 7.154 5.917 1.00 34.05 H new ATOM 0 HE ARG A 72 -10.356 9.481 6.366 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -13.524 8.740 4.824 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -14.072 10.414 4.952 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.270 11.710 6.355 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -12.911 11.932 5.738 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.688 6.870 1.946 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.532 7.344 0.879 1.00 30.76 C ATOM 1176 C LEU A 73 -14.304 8.802 0.657 1.00 32.18 C ATOM 1177 O LEU A 73 -13.738 9.490 1.532 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.046 7.177 1.229 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.359 5.638 1.245 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.567 5.188 1.992 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.285 4.877 -0.125 1.00 29.11 C ATOM 0 H LEU A 73 -14.033 7.031 2.892 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.283 6.757 -0.005 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.267 7.623 2.199 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.668 7.687 0.494 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.490 5.341 1.833 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -17.658 4.104 1.917 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.474 5.473 3.040 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.454 5.657 1.566 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.523 3.825 0.030 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.001 5.312 -0.822 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.279 4.965 -0.536 1.00 29.11 H new ATOM 1193 N ARG A 74 -14.573 9.306 -0.557 1.00 33.82 N ATOM 1194 CA ARG A 74 -14.280 10.661 -0.895 1.00 35.33 C ATOM 1195 C ARG A 74 -15.349 11.690 -0.344 1.00 36.22 C ATOM 1196 O ARG A 74 -16.529 11.405 -0.090 1.00 36.70 O ATOM 1197 CB ARG A 74 -14.152 10.879 -2.464 1.00 36.91 C ATOM 1198 CG ARG A 74 -12.734 10.620 -2.980 1.00 38.62 C ATOM 1199 CD ARG A 74 -12.407 11.191 -4.390 1.00 39.75 C ATOM 1200 NE ARG A 74 -10.984 10.978 -4.623 1.00 41.13 N ATOM 1201 CZ ARG A 74 -10.020 11.908 -4.589 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -10.202 13.202 -4.364 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -8.769 11.492 -4.795 1.00 41.93 N ATOM 0 H ARG A 74 -14.998 8.768 -1.312 1.00 33.82 H new ATOM 0 HA ARG A 74 -13.322 10.855 -0.413 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -14.848 10.216 -2.977 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -14.444 11.900 -2.710 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -12.026 11.041 -2.266 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -12.566 9.543 -2.998 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -13.001 10.691 -5.155 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -12.650 12.252 -4.441 1.00 39.75 H new ATOM 0 HE ARG A 74 -10.692 10.024 -4.833 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -11.141 13.564 -4.197 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -9.403 13.836 -4.357 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -8.582 10.504 -4.968 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -8.000 12.162 -4.779 1.00 41.93 H new ATOM 1217 N GLY A 75 -14.945 12.977 -0.264 1.00 36.31 N ATOM 1218 CA GLY A 75 -15.833 14.096 0.025 1.00 36.07 C ATOM 1219 C GLY A 75 -16.088 14.418 1.452 1.00 36.16 C ATOM 1220 O GLY A 75 -16.880 15.251 1.781 1.00 36.26 O ATOM 0 H GLY A 75 -13.975 13.259 -0.403 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -15.420 14.985 -0.452 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -16.793 13.896 -0.451 1.00 36.07 H new ATOM 1224 N GLY A 76 -15.353 13.785 2.391 1.00 36.05 N ATOM 1225 CA GLY A 76 -15.581 13.918 3.815 1.00 36.19 C ATOM 1226 C GLY A 76 -14.774 12.811 4.503 1.00 36.20 C ATOM 1227 O GLY A 76 -13.927 13.137 5.346 1.00 0.00 O ATOM 1228 OXT GLY A 76 -15.014 11.593 4.210 1.00 0.00 O ATOM 0 H GLY A 76 -14.578 13.163 2.161 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -15.265 14.900 4.166 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -16.642 13.823 4.046 1.00 36.19 H new TER 1232 GLY A 76