USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 581 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 46 THR OG1 : rot -142:sc= 1.16 USER MOD Set 1.2: A 50 THR OG1 : rot -96:sc= 1.43 USER MOD Set 2.1: A 38 MET CE :methyl -167:sc= -0.96 (180deg=-1.22) USER MOD Set 2.2: A 44 MET CE :methyl 159:sc= -0.24 (180deg=-1.02) USER MOD Set 3.1: A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 36 MET CE :methyl -161:sc= -0.0535 (180deg=-0.511) USER MOD Set 4.1: A 26 MET CE :methyl -153:sc= -1.08 (180deg=-2.72) USER MOD Set 4.2: A 54 MET CE :methyl -170:sc= -0.403 (180deg=-0.529) USER MOD Set 5.1: A 9 THR OG1 : rot -102:sc= 1.27 USER MOD Set 5.2: A 19 HIS : no HD1:sc= -3.74! C(o=-2.5!,f=-14!) USER MOD Single : A 1 VAL N :NH3+ 156:sc= 1.11 (180deg=0.83) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -4.08! K(o=-4.1!,f=-0.49) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0.63 USER MOD Single : A 13 GLN : amide:sc= -1.43! K(o=-1.4!,f=-0.06) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0817 USER MOD Single : A 17 LYS NZ :NH3+ 178:sc= 1.1 (180deg=1.07) USER MOD Single : A 22 LYS NZ :NH3+ 173:sc= 1.24 (180deg=1.11) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -2.55! C(o=-2.6!,f=-12!) USER MOD Single : A 31 LYS NZ :NH3+ 152:sc= 1.21 (180deg=0.84) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.253 X(o=-0.25,f=-0.013) USER MOD Single : A 42 LYS NZ :NH3+ 171:sc= -0.0118 (180deg=-0.13) USER MOD Single : A 51 LYS NZ :NH3+ -164:sc= 0.734 (180deg=0.485) USER MOD Single : A 55 LYS NZ :NH3+ -159:sc= 1 (180deg=0.683) USER MOD Single : A 57 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.11) USER MOD Single : A 68 LYS NZ :NH3+ -171:sc= -0.0205 (180deg=-0.152) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 11.643 -1.987 4.862 1.00 2.42 N ATOM 2 CA VAL A 1 11.104 -0.649 5.188 1.00 1.98 C ATOM 3 C VAL A 1 11.497 -0.231 6.603 1.00 1.83 C ATOM 4 O VAL A 1 11.602 -1.068 7.505 1.00 2.26 O ATOM 5 CB VAL A 1 9.561 -0.621 5.044 1.00 1.77 C ATOM 6 CG1 VAL A 1 8.902 -1.667 5.933 1.00 2.46 C ATOM 7 CG2 VAL A 1 9.004 0.764 5.345 1.00 1.89 C ATOM 0 H1 VAL A 1 11.065 -2.421 4.114 1.00 2.42 H new ATOM 0 H2 VAL A 1 12.625 -1.895 4.531 1.00 2.42 H new ATOM 0 H3 VAL A 1 11.619 -2.587 5.711 1.00 2.42 H new ATOM 0 HA VAL A 1 11.535 0.059 4.480 1.00 1.98 H new ATOM 0 HB VAL A 1 9.327 -0.863 4.007 1.00 1.77 H new ATOM 0 HG11 VAL A 1 7.820 -1.621 5.808 1.00 2.46 H new ATOM 0 HG12 VAL A 1 9.258 -2.659 5.653 1.00 2.46 H new ATOM 0 HG13 VAL A 1 9.156 -1.471 6.975 1.00 2.46 H new ATOM 0 HG21 VAL A 1 7.920 0.752 5.236 1.00 1.89 H new ATOM 0 HG22 VAL A 1 9.263 1.046 6.366 1.00 1.89 H new ATOM 0 HG23 VAL A 1 9.431 1.487 4.650 1.00 1.89 H new ATOM 19 N ASP A 2 11.739 1.061 6.783 1.00 1.77 N ATOM 20 CA ASP A 2 12.020 1.620 8.095 1.00 1.63 C ATOM 21 C ASP A 2 10.707 1.963 8.778 1.00 1.22 C ATOM 22 O ASP A 2 9.837 2.591 8.174 1.00 1.60 O ATOM 23 CB ASP A 2 12.887 2.880 7.982 1.00 2.00 C ATOM 24 CG ASP A 2 14.158 2.649 7.193 1.00 2.77 C ATOM 25 OD1 ASP A 2 15.143 2.144 7.769 1.00 3.11 O ATOM 26 OD2 ASP A 2 14.175 2.973 5.983 1.00 3.48 O ATOM 0 H ASP A 2 11.746 1.746 6.027 1.00 1.77 H new ATOM 0 HA ASP A 2 12.568 0.882 8.681 1.00 1.63 H new ATOM 0 HB2 ASP A 2 12.309 3.672 7.506 1.00 2.00 H new ATOM 0 HB3 ASP A 2 13.144 3.229 8.982 1.00 2.00 H new ATOM 31 N MET A 3 10.569 1.570 10.033 1.00 0.96 N ATOM 32 CA MET A 3 9.301 1.707 10.743 1.00 0.96 C ATOM 33 C MET A 3 9.065 3.133 11.230 1.00 0.91 C ATOM 34 O MET A 3 8.004 3.448 11.765 1.00 1.26 O ATOM 35 CB MET A 3 9.258 0.742 11.927 1.00 1.43 C ATOM 36 CG MET A 3 9.203 -0.709 11.499 1.00 1.59 C ATOM 37 SD MET A 3 7.709 -1.086 10.563 1.00 2.01 S ATOM 38 CE MET A 3 8.206 -2.600 9.755 1.00 2.17 C ATOM 0 H MET A 3 11.318 1.153 10.585 1.00 0.96 H new ATOM 0 HA MET A 3 8.506 1.464 10.038 1.00 0.96 H new ATOM 0 HB2 MET A 3 10.138 0.899 12.550 1.00 1.43 H new ATOM 0 HB3 MET A 3 8.387 0.968 12.543 1.00 1.43 H new ATOM 0 HG2 MET A 3 10.078 -0.941 10.892 1.00 1.59 H new ATOM 0 HG3 MET A 3 9.248 -1.348 12.381 1.00 1.59 H new ATOM 0 HE1 MET A 3 7.389 -2.966 9.134 1.00 2.17 H new ATOM 0 HE2 MET A 3 9.079 -2.410 9.131 1.00 2.17 H new ATOM 0 HE3 MET A 3 8.454 -3.349 10.507 1.00 2.17 H new ATOM 48 N SER A 4 10.043 3.996 11.022 1.00 0.78 N ATOM 49 CA SER A 4 9.981 5.347 11.546 1.00 0.78 C ATOM 50 C SER A 4 9.270 6.285 10.577 1.00 0.72 C ATOM 51 O SER A 4 8.529 7.174 10.991 1.00 0.81 O ATOM 52 CB SER A 4 11.397 5.852 11.819 1.00 0.86 C ATOM 53 OG SER A 4 12.132 4.902 12.572 1.00 1.47 O ATOM 0 H SER A 4 10.890 3.785 10.494 1.00 0.78 H new ATOM 0 HA SER A 4 9.410 5.331 12.474 1.00 0.78 H new ATOM 0 HB2 SER A 4 11.906 6.048 10.876 1.00 0.86 H new ATOM 0 HB3 SER A 4 11.353 6.797 12.360 1.00 0.86 H new ATOM 0 HG SER A 4 13.036 5.243 12.735 1.00 1.47 H new ATOM 59 N ASN A 5 9.461 6.055 9.284 1.00 0.64 N ATOM 60 CA ASN A 5 9.031 7.017 8.280 1.00 0.64 C ATOM 61 C ASN A 5 7.780 6.551 7.548 1.00 0.57 C ATOM 62 O ASN A 5 7.309 7.203 6.617 1.00 0.68 O ATOM 63 CB ASN A 5 10.177 7.299 7.298 1.00 0.69 C ATOM 64 CG ASN A 5 10.814 6.051 6.695 1.00 1.19 C ATOM 65 OD1 ASN A 5 12.016 6.027 6.437 1.00 1.89 O ATOM 66 ND2 ASN A 5 10.026 5.020 6.441 1.00 1.24 N ATOM 0 H ASN A 5 9.907 5.218 8.909 1.00 0.64 H new ATOM 0 HA ASN A 5 8.770 7.944 8.790 1.00 0.64 H new ATOM 0 HB2 ASN A 5 9.800 7.926 6.490 1.00 0.69 H new ATOM 0 HB3 ASN A 5 10.948 7.872 7.813 1.00 0.69 H new ATOM 0 HD21 ASN A 5 10.412 4.175 6.020 1.00 1.24 H new ATOM 0 HD22 ASN A 5 9.032 5.070 6.666 1.00 1.24 H new ATOM 73 N VAL A 6 7.254 5.414 7.966 1.00 0.44 N ATOM 74 CA VAL A 6 6.063 4.855 7.350 1.00 0.40 C ATOM 75 C VAL A 6 4.838 5.010 8.255 1.00 0.40 C ATOM 76 O VAL A 6 4.923 4.805 9.465 1.00 0.47 O ATOM 77 CB VAL A 6 6.284 3.369 6.983 1.00 0.43 C ATOM 78 CG1 VAL A 6 6.582 2.523 8.212 1.00 0.98 C ATOM 79 CG2 VAL A 6 5.092 2.813 6.226 1.00 1.25 C ATOM 0 H VAL A 6 7.634 4.858 8.732 1.00 0.44 H new ATOM 0 HA VAL A 6 5.872 5.414 6.434 1.00 0.40 H new ATOM 0 HB VAL A 6 7.157 3.323 6.332 1.00 0.43 H new ATOM 0 HG11 VAL A 6 6.731 1.486 7.912 1.00 0.98 H new ATOM 0 HG12 VAL A 6 7.484 2.893 8.699 1.00 0.98 H new ATOM 0 HG13 VAL A 6 5.744 2.583 8.907 1.00 0.98 H new ATOM 0 HG21 VAL A 6 5.273 1.767 5.980 1.00 1.25 H new ATOM 0 HG22 VAL A 6 4.199 2.891 6.846 1.00 1.25 H new ATOM 0 HG23 VAL A 6 4.947 3.382 5.308 1.00 1.25 H new ATOM 89 N VAL A 7 3.713 5.417 7.667 1.00 0.38 N ATOM 90 CA VAL A 7 2.460 5.514 8.424 1.00 0.41 C ATOM 91 C VAL A 7 1.624 4.249 8.293 1.00 0.37 C ATOM 92 O VAL A 7 0.881 3.883 9.204 1.00 0.42 O ATOM 93 CB VAL A 7 1.576 6.716 8.015 1.00 0.52 C ATOM 94 CG1 VAL A 7 2.195 8.024 8.468 1.00 0.94 C ATOM 95 CG2 VAL A 7 1.308 6.744 6.516 1.00 1.03 C ATOM 0 H VAL A 7 3.640 5.682 6.685 1.00 0.38 H new ATOM 0 HA VAL A 7 2.778 5.657 9.457 1.00 0.41 H new ATOM 0 HB VAL A 7 0.617 6.592 8.518 1.00 0.52 H new ATOM 0 HG11 VAL A 7 1.554 8.853 8.168 1.00 0.94 H new ATOM 0 HG12 VAL A 7 2.300 8.020 9.553 1.00 0.94 H new ATOM 0 HG13 VAL A 7 3.177 8.140 8.009 1.00 0.94 H new ATOM 0 HG21 VAL A 7 0.684 7.604 6.274 1.00 1.03 H new ATOM 0 HG22 VAL A 7 2.253 6.819 5.979 1.00 1.03 H new ATOM 0 HG23 VAL A 7 0.795 5.829 6.221 1.00 1.03 H new ATOM 105 N LYS A 8 1.753 3.580 7.161 1.00 0.34 N ATOM 106 CA LYS A 8 0.975 2.380 6.895 1.00 0.35 C ATOM 107 C LYS A 8 1.658 1.511 5.856 1.00 0.31 C ATOM 108 O LYS A 8 2.194 2.001 4.863 1.00 0.35 O ATOM 109 CB LYS A 8 -0.437 2.742 6.423 1.00 0.44 C ATOM 110 CG LYS A 8 -1.375 1.549 6.288 1.00 0.50 C ATOM 111 CD LYS A 8 -1.692 0.942 7.646 1.00 0.57 C ATOM 112 CE LYS A 8 -2.692 -0.199 7.540 1.00 1.01 C ATOM 113 NZ LYS A 8 -3.023 -0.760 8.877 1.00 1.41 N ATOM 0 H LYS A 8 2.389 3.847 6.410 1.00 0.34 H new ATOM 0 HA LYS A 8 0.902 1.819 7.826 1.00 0.35 H new ATOM 0 HB2 LYS A 8 -0.871 3.454 7.125 1.00 0.44 H new ATOM 0 HB3 LYS A 8 -0.368 3.246 5.459 1.00 0.44 H new ATOM 0 HG2 LYS A 8 -2.299 1.863 5.802 1.00 0.50 H new ATOM 0 HG3 LYS A 8 -0.918 0.795 5.647 1.00 0.50 H new ATOM 0 HD2 LYS A 8 -0.773 0.577 8.104 1.00 0.57 H new ATOM 0 HD3 LYS A 8 -2.091 1.714 8.304 1.00 0.57 H new ATOM 0 HE2 LYS A 8 -3.603 0.157 7.058 1.00 1.01 H new ATOM 0 HE3 LYS A 8 -2.283 -0.985 6.906 1.00 1.01 H new ATOM 0 HZ1 LYS A 8 -3.707 -1.536 8.768 1.00 1.41 H new ATOM 0 HZ2 LYS A 8 -2.157 -1.122 9.326 1.00 1.41 H new ATOM 0 HZ3 LYS A 8 -3.436 -0.015 9.473 1.00 1.41 H new ATOM 127 N THR A 9 1.642 0.225 6.104 1.00 0.33 N ATOM 128 CA THR A 9 2.171 -0.749 5.173 1.00 0.32 C ATOM 129 C THR A 9 1.067 -1.713 4.738 1.00 0.35 C ATOM 130 O THR A 9 0.232 -2.122 5.541 1.00 0.39 O ATOM 131 CB THR A 9 3.378 -1.502 5.785 1.00 0.33 C ATOM 132 OG1 THR A 9 4.568 -0.726 5.615 1.00 0.40 O ATOM 133 CG2 THR A 9 3.567 -2.882 5.175 1.00 0.33 C ATOM 0 H THR A 9 1.261 -0.180 6.959 1.00 0.33 H new ATOM 0 HA THR A 9 2.533 -0.227 4.287 1.00 0.32 H new ATOM 0 HB THR A 9 3.173 -1.642 6.846 1.00 0.33 H new ATOM 0 HG1 THR A 9 5.091 -1.088 4.870 1.00 0.40 H new ATOM 0 HG21 THR A 9 4.425 -3.370 5.637 1.00 0.33 H new ATOM 0 HG22 THR A 9 2.673 -3.481 5.347 1.00 0.33 H new ATOM 0 HG23 THR A 9 3.738 -2.786 4.103 1.00 0.33 H new ATOM 141 N TYR A 10 1.053 -2.034 3.453 1.00 0.37 N ATOM 142 CA TYR A 10 0.056 -2.908 2.880 1.00 0.42 C ATOM 143 C TYR A 10 0.639 -4.236 2.509 1.00 0.38 C ATOM 144 O TYR A 10 1.623 -4.329 1.775 1.00 0.35 O ATOM 145 CB TYR A 10 -0.605 -2.248 1.683 1.00 0.47 C ATOM 146 CG TYR A 10 -1.561 -1.189 2.130 1.00 0.60 C ATOM 147 CD1 TYR A 10 -2.536 -1.509 3.050 1.00 0.70 C ATOM 148 CD2 TYR A 10 -1.479 0.117 1.674 1.00 0.68 C ATOM 149 CE1 TYR A 10 -3.413 -0.570 3.514 1.00 0.84 C ATOM 150 CE2 TYR A 10 -2.356 1.079 2.135 1.00 0.82 C ATOM 151 CZ TYR A 10 -3.327 0.732 3.055 1.00 0.91 C ATOM 152 OH TYR A 10 -4.213 1.686 3.509 1.00 1.06 O ATOM 0 H TYR A 10 1.739 -1.691 2.780 1.00 0.37 H new ATOM 0 HA TYR A 10 -0.707 -3.089 3.637 1.00 0.42 H new ATOM 0 HB2 TYR A 10 0.155 -1.810 1.036 1.00 0.47 H new ATOM 0 HB3 TYR A 10 -1.133 -2.997 1.093 1.00 0.47 H new ATOM 0 HD1 TYR A 10 -2.608 -2.524 3.412 1.00 0.70 H new ATOM 0 HD2 TYR A 10 -0.722 0.385 0.951 1.00 0.68 H new ATOM 0 HE1 TYR A 10 -4.169 -0.843 4.235 1.00 0.84 H new ATOM 0 HE2 TYR A 10 -2.283 2.096 1.779 1.00 0.82 H new ATOM 0 HH TYR A 10 -4.012 2.547 3.086 1.00 1.06 H new ATOM 162 N ASP A 11 0.013 -5.257 3.032 1.00 0.42 N ATOM 163 CA ASP A 11 0.481 -6.608 2.840 1.00 0.42 C ATOM 164 C ASP A 11 -0.296 -7.286 1.730 1.00 0.39 C ATOM 165 O ASP A 11 -1.498 -7.531 1.851 1.00 0.40 O ATOM 166 CB ASP A 11 0.357 -7.412 4.128 1.00 0.52 C ATOM 167 CG ASP A 11 1.290 -6.921 5.217 1.00 1.25 C ATOM 168 OD1 ASP A 11 2.485 -6.695 4.931 1.00 1.69 O ATOM 169 OD2 ASP A 11 0.833 -6.762 6.370 1.00 1.94 O ATOM 0 H ASP A 11 -0.831 -5.179 3.600 1.00 0.42 H new ATOM 0 HA ASP A 11 1.533 -6.564 2.558 1.00 0.42 H new ATOM 0 HB2 ASP A 11 -0.671 -7.360 4.486 1.00 0.52 H new ATOM 0 HB3 ASP A 11 0.570 -8.460 3.919 1.00 0.52 H new ATOM 174 N LEU A 12 0.407 -7.612 0.665 1.00 0.38 N ATOM 175 CA LEU A 12 -0.216 -8.278 -0.472 1.00 0.41 C ATOM 176 C LEU A 12 -0.325 -9.762 -0.167 1.00 0.54 C ATOM 177 O LEU A 12 0.494 -10.303 0.575 1.00 1.50 O ATOM 178 CB LEU A 12 0.567 -8.058 -1.773 1.00 0.40 C ATOM 179 CG LEU A 12 0.783 -6.594 -2.187 1.00 0.46 C ATOM 180 CD1 LEU A 12 1.104 -6.503 -3.672 1.00 1.04 C ATOM 181 CD2 LEU A 12 -0.435 -5.745 -1.854 1.00 1.04 C ATOM 0 H LEU A 12 1.405 -7.430 0.558 1.00 0.38 H new ATOM 0 HA LEU A 12 -1.206 -7.847 -0.624 1.00 0.41 H new ATOM 0 HB2 LEU A 12 1.542 -8.535 -1.672 1.00 0.40 H new ATOM 0 HB3 LEU A 12 0.044 -8.570 -2.580 1.00 0.40 H new ATOM 0 HG LEU A 12 1.630 -6.205 -1.622 1.00 0.46 H new ATOM 0 HD11 LEU A 12 1.254 -5.459 -3.949 1.00 1.04 H new ATOM 0 HD12 LEU A 12 2.012 -7.068 -3.883 1.00 1.04 H new ATOM 0 HD13 LEU A 12 0.277 -6.916 -4.249 1.00 1.04 H new ATOM 0 HD21 LEU A 12 -0.254 -4.714 -2.158 1.00 1.04 H new ATOM 0 HD22 LEU A 12 -1.305 -6.132 -2.385 1.00 1.04 H new ATOM 0 HD23 LEU A 12 -0.620 -5.780 -0.780 1.00 1.04 H new ATOM 193 N GLN A 13 -1.342 -10.413 -0.716 1.00 0.65 N ATOM 194 CA GLN A 13 -1.621 -11.816 -0.414 1.00 0.62 C ATOM 195 C GLN A 13 -0.466 -12.747 -0.798 1.00 0.62 C ATOM 196 O GLN A 13 -0.369 -13.866 -0.291 1.00 0.74 O ATOM 197 CB GLN A 13 -2.902 -12.234 -1.132 1.00 0.69 C ATOM 198 CG GLN A 13 -3.463 -13.568 -0.678 1.00 0.89 C ATOM 199 CD GLN A 13 -4.807 -13.866 -1.304 1.00 1.08 C ATOM 200 OE1 GLN A 13 -5.147 -15.022 -1.552 1.00 1.68 O ATOM 201 NE2 GLN A 13 -5.593 -12.827 -1.544 1.00 1.61 N ATOM 0 H GLN A 13 -1.993 -9.991 -1.378 1.00 0.65 H new ATOM 0 HA GLN A 13 -1.744 -11.907 0.665 1.00 0.62 H new ATOM 0 HB2 GLN A 13 -3.658 -11.464 -0.980 1.00 0.69 H new ATOM 0 HB3 GLN A 13 -2.706 -12.281 -2.203 1.00 0.69 H new ATOM 0 HG2 GLN A 13 -2.761 -14.361 -0.934 1.00 0.89 H new ATOM 0 HG3 GLN A 13 -3.562 -13.568 0.408 1.00 0.89 H new ATOM 0 HE21 GLN A 13 -5.273 -11.884 -1.324 1.00 1.61 H new ATOM 0 HE22 GLN A 13 -6.518 -12.970 -1.949 1.00 1.61 H new ATOM 210 N ASP A 14 0.416 -12.282 -1.675 1.00 0.55 N ATOM 211 CA ASP A 14 1.557 -13.080 -2.108 1.00 0.64 C ATOM 212 C ASP A 14 2.720 -12.868 -1.154 1.00 0.54 C ATOM 213 O ASP A 14 3.569 -13.740 -0.973 1.00 0.70 O ATOM 214 CB ASP A 14 1.974 -12.701 -3.537 1.00 0.80 C ATOM 215 CG ASP A 14 3.282 -13.354 -3.957 1.00 1.46 C ATOM 216 OD1 ASP A 14 3.303 -14.588 -4.164 1.00 1.98 O ATOM 217 OD2 ASP A 14 4.299 -12.636 -4.073 1.00 2.11 O ATOM 0 H ASP A 14 0.363 -11.356 -2.100 1.00 0.55 H new ATOM 0 HA ASP A 14 1.270 -14.132 -2.102 1.00 0.64 H new ATOM 0 HB2 ASP A 14 1.186 -12.994 -4.231 1.00 0.80 H new ATOM 0 HB3 ASP A 14 2.074 -11.618 -3.607 1.00 0.80 H new ATOM 222 N GLY A 15 2.724 -11.712 -0.519 1.00 0.55 N ATOM 223 CA GLY A 15 3.776 -11.383 0.408 1.00 0.73 C ATOM 224 C GLY A 15 4.418 -10.057 0.096 1.00 0.75 C ATOM 225 O GLY A 15 5.144 -9.508 0.926 1.00 1.28 O ATOM 0 H GLY A 15 2.011 -10.991 -0.631 1.00 0.55 H new ATOM 0 HA2 GLY A 15 3.371 -11.359 1.420 1.00 0.73 H new ATOM 0 HA3 GLY A 15 4.534 -12.166 0.386 1.00 0.73 H new ATOM 229 N SER A 16 4.176 -9.550 -1.107 1.00 0.37 N ATOM 230 CA SER A 16 4.686 -8.245 -1.481 1.00 0.35 C ATOM 231 C SER A 16 4.162 -7.213 -0.498 1.00 0.29 C ATOM 232 O SER A 16 3.013 -7.281 -0.064 1.00 0.33 O ATOM 233 CB SER A 16 4.260 -7.889 -2.899 1.00 0.44 C ATOM 234 OG SER A 16 4.036 -9.060 -3.667 1.00 1.07 O ATOM 0 H SER A 16 3.634 -10.021 -1.832 1.00 0.37 H new ATOM 0 HA SER A 16 5.776 -8.260 -1.452 1.00 0.35 H new ATOM 0 HB2 SER A 16 3.351 -7.288 -2.870 1.00 0.44 H new ATOM 0 HB3 SER A 16 5.030 -7.280 -3.373 1.00 0.44 H new ATOM 0 HG SER A 16 3.762 -8.809 -4.574 1.00 1.07 H new ATOM 240 N LYS A 17 4.997 -6.282 -0.129 1.00 0.26 N ATOM 241 CA LYS A 17 4.662 -5.371 0.928 1.00 0.28 C ATOM 242 C LYS A 17 4.798 -3.928 0.456 1.00 0.30 C ATOM 243 O LYS A 17 5.854 -3.510 0.003 1.00 0.43 O ATOM 244 CB LYS A 17 5.593 -5.678 2.099 1.00 0.31 C ATOM 245 CG LYS A 17 5.316 -4.893 3.355 1.00 0.71 C ATOM 246 CD LYS A 17 6.311 -5.261 4.445 1.00 0.66 C ATOM 247 CE LYS A 17 6.276 -6.754 4.758 1.00 0.84 C ATOM 248 NZ LYS A 17 5.013 -7.166 5.430 1.00 1.84 N ATOM 0 H LYS A 17 5.916 -6.134 -0.546 1.00 0.26 H new ATOM 0 HA LYS A 17 3.625 -5.494 1.239 1.00 0.28 H new ATOM 0 HB2 LYS A 17 5.523 -6.741 2.330 1.00 0.31 H new ATOM 0 HB3 LYS A 17 6.620 -5.486 1.787 1.00 0.31 H new ATOM 0 HG2 LYS A 17 5.377 -3.825 3.144 1.00 0.71 H new ATOM 0 HG3 LYS A 17 4.301 -5.092 3.699 1.00 0.71 H new ATOM 0 HD2 LYS A 17 7.316 -4.978 4.132 1.00 0.66 H new ATOM 0 HD3 LYS A 17 6.088 -4.694 5.349 1.00 0.66 H new ATOM 0 HE2 LYS A 17 6.393 -7.319 3.833 1.00 0.84 H new ATOM 0 HE3 LYS A 17 7.123 -7.008 5.396 1.00 0.84 H new ATOM 0 HZ1 LYS A 17 5.024 -8.193 5.590 1.00 1.84 H new ATOM 0 HZ2 LYS A 17 4.929 -6.674 6.342 1.00 1.84 H new ATOM 0 HZ3 LYS A 17 4.202 -6.919 4.827 1.00 1.84 H new ATOM 262 N VAL A 18 3.729 -3.169 0.586 1.00 0.28 N ATOM 263 CA VAL A 18 3.700 -1.782 0.146 1.00 0.30 C ATOM 264 C VAL A 18 3.674 -0.881 1.362 1.00 0.31 C ATOM 265 O VAL A 18 3.242 -1.303 2.418 1.00 0.41 O ATOM 266 CB VAL A 18 2.454 -1.515 -0.731 1.00 0.35 C ATOM 267 CG1 VAL A 18 2.446 -0.091 -1.266 1.00 0.39 C ATOM 268 CG2 VAL A 18 2.380 -2.517 -1.876 1.00 0.36 C ATOM 0 H VAL A 18 2.854 -3.493 0.999 1.00 0.28 H new ATOM 0 HA VAL A 18 4.589 -1.577 -0.451 1.00 0.30 H new ATOM 0 HB VAL A 18 1.573 -1.639 -0.102 1.00 0.35 H new ATOM 0 HG11 VAL A 18 1.557 0.063 -1.878 1.00 0.39 H new ATOM 0 HG12 VAL A 18 2.438 0.611 -0.432 1.00 0.39 H new ATOM 0 HG13 VAL A 18 3.337 0.075 -1.872 1.00 0.39 H new ATOM 0 HG21 VAL A 18 1.497 -2.313 -2.482 1.00 0.36 H new ATOM 0 HG22 VAL A 18 3.273 -2.429 -2.495 1.00 0.36 H new ATOM 0 HG23 VAL A 18 2.317 -3.527 -1.472 1.00 0.36 H new ATOM 278 N HIS A 19 4.193 0.326 1.257 1.00 0.29 N ATOM 279 CA HIS A 19 4.147 1.241 2.385 1.00 0.29 C ATOM 280 C HIS A 19 3.876 2.648 1.925 1.00 0.30 C ATOM 281 O HIS A 19 4.443 3.103 0.939 1.00 0.34 O ATOM 282 CB HIS A 19 5.454 1.223 3.191 1.00 0.32 C ATOM 283 CG HIS A 19 6.348 0.051 2.939 1.00 0.32 C ATOM 284 ND1 HIS A 19 6.010 -1.249 3.237 1.00 0.67 N ATOM 285 CD2 HIS A 19 7.570 0.002 2.397 1.00 0.37 C ATOM 286 CE1 HIS A 19 6.995 -2.046 2.874 1.00 0.66 C ATOM 287 NE2 HIS A 19 7.956 -1.311 2.360 1.00 0.41 N ATOM 0 H HIS A 19 4.644 0.694 0.419 1.00 0.29 H new ATOM 0 HA HIS A 19 3.335 0.902 3.029 1.00 0.29 H new ATOM 0 HB2 HIS A 19 6.009 2.135 2.971 1.00 0.32 H new ATOM 0 HB3 HIS A 19 5.207 1.248 4.252 1.00 0.32 H new ATOM 0 HD2 HIS A 19 8.148 0.846 2.051 1.00 0.37 H new ATOM 0 HE1 HIS A 19 7.010 -3.121 2.981 1.00 0.66 H new ATOM 0 HE2 HIS A 19 8.842 -1.661 1.994 1.00 0.41 H new ATOM 296 N VAL A 20 3.015 3.327 2.650 1.00 0.31 N ATOM 297 CA VAL A 20 2.794 4.733 2.430 1.00 0.33 C ATOM 298 C VAL A 20 3.525 5.500 3.519 1.00 0.32 C ATOM 299 O VAL A 20 3.370 5.229 4.715 1.00 0.33 O ATOM 300 CB VAL A 20 1.291 5.102 2.373 1.00 0.40 C ATOM 301 CG1 VAL A 20 0.563 4.662 3.625 1.00 0.56 C ATOM 302 CG2 VAL A 20 1.104 6.594 2.133 1.00 0.81 C ATOM 0 H VAL A 20 2.455 2.922 3.400 1.00 0.31 H new ATOM 0 HA VAL A 20 3.189 5.007 1.452 1.00 0.33 H new ATOM 0 HB VAL A 20 0.854 4.565 1.531 1.00 0.40 H new ATOM 0 HG11 VAL A 20 -0.489 4.937 3.550 1.00 0.56 H new ATOM 0 HG12 VAL A 20 0.648 3.581 3.734 1.00 0.56 H new ATOM 0 HG13 VAL A 20 1.005 5.151 4.493 1.00 0.56 H new ATOM 0 HG21 VAL A 20 0.040 6.826 2.097 1.00 0.81 H new ATOM 0 HG22 VAL A 20 1.571 7.154 2.943 1.00 0.81 H new ATOM 0 HG23 VAL A 20 1.568 6.871 1.186 1.00 0.81 H new ATOM 312 N PHE A 21 4.363 6.409 3.092 1.00 0.34 N ATOM 313 CA PHE A 21 5.318 7.055 3.959 1.00 0.37 C ATOM 314 C PHE A 21 4.775 8.357 4.531 1.00 0.39 C ATOM 315 O PHE A 21 3.826 8.933 4.002 1.00 0.40 O ATOM 316 CB PHE A 21 6.593 7.298 3.153 1.00 0.40 C ATOM 317 CG PHE A 21 7.385 6.043 2.897 1.00 0.41 C ATOM 318 CD1 PHE A 21 7.101 5.211 1.815 1.00 0.37 C ATOM 319 CD2 PHE A 21 8.423 5.695 3.741 1.00 0.58 C ATOM 320 CE1 PHE A 21 7.841 4.066 1.597 1.00 0.39 C ATOM 321 CE2 PHE A 21 9.163 4.551 3.520 1.00 0.64 C ATOM 322 CZ PHE A 21 8.873 3.735 2.448 1.00 0.51 C ATOM 0 H PHE A 21 4.403 6.726 2.123 1.00 0.34 H new ATOM 0 HA PHE A 21 5.527 6.412 4.814 1.00 0.37 H new ATOM 0 HB2 PHE A 21 6.330 7.754 2.199 1.00 0.40 H new ATOM 0 HB3 PHE A 21 7.220 8.013 3.686 1.00 0.40 H new ATOM 0 HD1 PHE A 21 6.295 5.464 1.142 1.00 0.37 H new ATOM 0 HD2 PHE A 21 8.658 6.327 4.585 1.00 0.58 H new ATOM 0 HE1 PHE A 21 7.610 3.428 0.757 1.00 0.39 H new ATOM 0 HE2 PHE A 21 9.971 4.295 4.189 1.00 0.64 H new ATOM 0 HZ PHE A 21 9.452 2.840 2.276 1.00 0.51 H new ATOM 332 N LYS A 22 5.402 8.817 5.606 1.00 0.44 N ATOM 333 CA LYS A 22 5.004 10.047 6.284 1.00 0.50 C ATOM 334 C LYS A 22 5.259 11.265 5.400 1.00 0.52 C ATOM 335 O LYS A 22 4.687 12.333 5.605 1.00 0.57 O ATOM 336 CB LYS A 22 5.793 10.189 7.589 1.00 0.61 C ATOM 337 CG LYS A 22 5.293 9.305 8.717 1.00 1.37 C ATOM 338 CD LYS A 22 6.251 9.296 9.898 1.00 1.46 C ATOM 339 CE LYS A 22 6.520 10.692 10.440 1.00 2.02 C ATOM 340 NZ LYS A 22 5.303 11.321 11.017 1.00 2.87 N ATOM 0 H LYS A 22 6.201 8.349 6.034 1.00 0.44 H new ATOM 0 HA LYS A 22 3.937 9.993 6.498 1.00 0.50 H new ATOM 0 HB2 LYS A 22 6.840 9.954 7.395 1.00 0.61 H new ATOM 0 HB3 LYS A 22 5.754 11.229 7.913 1.00 0.61 H new ATOM 0 HG2 LYS A 22 4.315 9.655 9.046 1.00 1.37 H new ATOM 0 HG3 LYS A 22 5.161 8.287 8.349 1.00 1.37 H new ATOM 0 HD2 LYS A 22 5.838 8.675 10.692 1.00 1.46 H new ATOM 0 HD3 LYS A 22 7.193 8.840 9.594 1.00 1.46 H new ATOM 0 HE2 LYS A 22 7.295 10.639 11.204 1.00 2.02 H new ATOM 0 HE3 LYS A 22 6.906 11.322 9.638 1.00 2.02 H new ATOM 0 HZ1 LYS A 22 5.561 12.217 11.478 1.00 2.87 H new ATOM 0 HZ2 LYS A 22 4.615 11.506 10.259 1.00 2.87 H new ATOM 0 HZ3 LYS A 22 4.880 10.680 11.719 1.00 2.87 H new ATOM 354 N ASP A 23 6.136 11.089 4.426 1.00 0.54 N ATOM 355 CA ASP A 23 6.520 12.141 3.508 1.00 0.61 C ATOM 356 C ASP A 23 5.498 12.206 2.398 1.00 0.59 C ATOM 357 O ASP A 23 5.502 13.102 1.557 1.00 0.67 O ATOM 358 CB ASP A 23 7.922 11.832 2.969 1.00 0.68 C ATOM 359 CG ASP A 23 8.414 12.808 1.920 1.00 1.29 C ATOM 360 OD1 ASP A 23 8.738 13.952 2.288 1.00 1.91 O ATOM 361 OD2 ASP A 23 8.433 12.450 0.725 1.00 1.97 O ATOM 0 H ASP A 23 6.605 10.200 4.251 1.00 0.54 H new ATOM 0 HA ASP A 23 6.550 13.111 4.004 1.00 0.61 H new ATOM 0 HB2 ASP A 23 8.626 11.826 3.801 1.00 0.68 H new ATOM 0 HB3 ASP A 23 7.922 10.828 2.544 1.00 0.68 H new ATOM 366 N GLY A 24 4.591 11.245 2.437 1.00 0.53 N ATOM 367 CA GLY A 24 3.529 11.201 1.485 1.00 0.53 C ATOM 368 C GLY A 24 3.858 10.351 0.285 1.00 0.53 C ATOM 369 O GLY A 24 3.062 10.237 -0.650 1.00 0.58 O ATOM 0 H GLY A 24 4.581 10.491 3.124 1.00 0.53 H new ATOM 0 HA2 GLY A 24 2.632 10.812 1.966 1.00 0.53 H new ATOM 0 HA3 GLY A 24 3.300 12.214 1.155 1.00 0.53 H new ATOM 373 N LYS A 25 5.044 9.768 0.298 1.00 0.50 N ATOM 374 CA LYS A 25 5.470 8.880 -0.762 1.00 0.51 C ATOM 375 C LYS A 25 5.110 7.441 -0.431 1.00 0.42 C ATOM 376 O LYS A 25 4.540 7.174 0.620 1.00 0.41 O ATOM 377 CB LYS A 25 6.953 9.037 -0.982 1.00 0.62 C ATOM 378 CG LYS A 25 7.778 8.698 0.214 1.00 0.94 C ATOM 379 CD LYS A 25 9.109 9.383 0.084 1.00 1.49 C ATOM 380 CE LYS A 25 9.915 9.334 1.369 1.00 1.50 C ATOM 381 NZ LYS A 25 11.063 10.279 1.328 1.00 1.74 N ATOM 0 H LYS A 25 5.732 9.897 1.039 1.00 0.50 H new ATOM 0 HA LYS A 25 4.951 9.142 -1.684 1.00 0.51 H new ATOM 0 HB2 LYS A 25 7.257 8.401 -1.814 1.00 0.62 H new ATOM 0 HB3 LYS A 25 7.161 10.066 -1.275 1.00 0.62 H new ATOM 0 HG2 LYS A 25 7.274 9.019 1.125 1.00 0.94 H new ATOM 0 HG3 LYS A 25 7.913 7.619 0.288 1.00 0.94 H new ATOM 0 HD2 LYS A 25 9.679 8.913 -0.717 1.00 1.49 H new ATOM 0 HD3 LYS A 25 8.953 10.423 -0.204 1.00 1.49 H new ATOM 0 HE2 LYS A 25 9.271 9.579 2.214 1.00 1.50 H new ATOM 0 HE3 LYS A 25 10.282 8.321 1.531 1.00 1.50 H new ATOM 0 HZ1 LYS A 25 11.593 10.221 2.221 1.00 1.74 H new ATOM 0 HZ2 LYS A 25 11.690 10.030 0.537 1.00 1.74 H new ATOM 0 HZ3 LYS A 25 10.710 11.249 1.198 1.00 1.74 H new ATOM 395 N MET A 26 5.436 6.518 -1.317 1.00 0.42 N ATOM 396 CA MET A 26 5.148 5.112 -1.098 1.00 0.41 C ATOM 397 C MET A 26 6.294 4.255 -1.613 1.00 0.42 C ATOM 398 O MET A 26 7.046 4.673 -2.493 1.00 0.49 O ATOM 399 CB MET A 26 3.840 4.694 -1.779 1.00 0.47 C ATOM 400 CG MET A 26 2.601 5.390 -1.233 1.00 0.73 C ATOM 401 SD MET A 26 1.080 4.668 -1.865 1.00 1.07 S ATOM 402 CE MET A 26 1.463 4.567 -3.611 1.00 0.76 C ATOM 0 H MET A 26 5.904 6.719 -2.201 1.00 0.42 H new ATOM 0 HA MET A 26 5.035 4.960 -0.025 1.00 0.41 H new ATOM 0 HB2 MET A 26 3.918 4.900 -2.847 1.00 0.47 H new ATOM 0 HB3 MET A 26 3.715 3.617 -1.670 1.00 0.47 H new ATOM 0 HG2 MET A 26 2.604 5.331 -0.145 1.00 0.73 H new ATOM 0 HG3 MET A 26 2.635 6.447 -1.495 1.00 0.73 H new ATOM 0 HE1 MET A 26 0.540 4.609 -4.189 1.00 0.76 H new ATOM 0 HE2 MET A 26 2.105 5.402 -3.891 1.00 0.76 H new ATOM 0 HE3 MET A 26 1.977 3.628 -3.817 1.00 0.76 H new ATOM 412 N GLY A 27 6.440 3.074 -1.036 1.00 0.39 N ATOM 413 CA GLY A 27 7.476 2.156 -1.457 1.00 0.39 C ATOM 414 C GLY A 27 6.982 0.727 -1.466 1.00 0.32 C ATOM 415 O GLY A 27 6.140 0.357 -0.643 1.00 0.33 O ATOM 0 H GLY A 27 5.853 2.732 -0.275 1.00 0.39 H new ATOM 0 HA2 GLY A 27 7.821 2.429 -2.454 1.00 0.39 H new ATOM 0 HA3 GLY A 27 8.333 2.241 -0.788 1.00 0.39 H new ATOM 419 N MET A 28 7.492 -0.079 -2.385 1.00 0.28 N ATOM 420 CA MET A 28 7.046 -1.458 -2.508 1.00 0.27 C ATOM 421 C MET A 28 8.200 -2.432 -2.285 1.00 0.26 C ATOM 422 O MET A 28 9.325 -2.201 -2.725 1.00 0.31 O ATOM 423 CB MET A 28 6.415 -1.694 -3.885 1.00 0.34 C ATOM 424 CG MET A 28 5.770 -3.063 -4.033 1.00 0.45 C ATOM 425 SD MET A 28 5.012 -3.310 -5.651 1.00 0.87 S ATOM 426 CE MET A 28 4.323 -4.948 -5.446 1.00 0.72 C ATOM 0 H MET A 28 8.212 0.196 -3.053 1.00 0.28 H new ATOM 0 HA MET A 28 6.295 -1.638 -1.738 1.00 0.27 H new ATOM 0 HB2 MET A 28 5.663 -0.926 -4.067 1.00 0.34 H new ATOM 0 HB3 MET A 28 7.182 -1.578 -4.651 1.00 0.34 H new ATOM 0 HG2 MET A 28 6.523 -3.834 -3.869 1.00 0.45 H new ATOM 0 HG3 MET A 28 5.012 -3.188 -3.259 1.00 0.45 H new ATOM 0 HE1 MET A 28 3.818 -5.248 -6.364 1.00 0.72 H new ATOM 0 HE2 MET A 28 5.123 -5.654 -5.225 1.00 0.72 H new ATOM 0 HE3 MET A 28 3.607 -4.941 -4.624 1.00 0.72 H new ATOM 436 N GLU A 29 7.903 -3.513 -1.584 1.00 0.24 N ATOM 437 CA GLU A 29 8.843 -4.601 -1.358 1.00 0.26 C ATOM 438 C GLU A 29 8.179 -5.912 -1.751 1.00 0.27 C ATOM 439 O GLU A 29 6.957 -5.989 -1.814 1.00 0.29 O ATOM 440 CB GLU A 29 9.271 -4.655 0.117 1.00 0.34 C ATOM 441 CG GLU A 29 10.269 -3.578 0.503 1.00 0.47 C ATOM 442 CD GLU A 29 10.524 -3.520 1.995 1.00 0.56 C ATOM 443 OE1 GLU A 29 10.987 -4.522 2.571 1.00 1.14 O ATOM 444 OE2 GLU A 29 10.261 -2.463 2.605 1.00 0.68 O ATOM 0 H GLU A 29 6.992 -3.663 -1.150 1.00 0.24 H new ATOM 0 HA GLU A 29 9.734 -4.435 -1.963 1.00 0.26 H new ATOM 0 HB2 GLU A 29 8.386 -4.560 0.747 1.00 0.34 H new ATOM 0 HB3 GLU A 29 9.707 -5.633 0.324 1.00 0.34 H new ATOM 0 HG2 GLU A 29 11.211 -3.760 -0.015 1.00 0.47 H new ATOM 0 HG3 GLU A 29 9.901 -2.610 0.164 1.00 0.47 H new ATOM 451 N ASN A 30 8.966 -6.921 -2.059 1.00 0.32 N ATOM 452 CA ASN A 30 8.417 -8.244 -2.329 1.00 0.39 C ATOM 453 C ASN A 30 8.372 -9.065 -1.044 1.00 0.42 C ATOM 454 O ASN A 30 8.855 -8.622 0.000 1.00 0.42 O ATOM 455 CB ASN A 30 9.251 -8.963 -3.399 1.00 0.47 C ATOM 456 CG ASN A 30 10.615 -9.394 -2.894 1.00 0.79 C ATOM 457 OD1 ASN A 30 11.142 -8.844 -1.932 1.00 1.41 O ATOM 458 ND2 ASN A 30 11.206 -10.371 -3.549 1.00 1.12 N ATOM 0 H ASN A 30 9.982 -6.857 -2.130 1.00 0.32 H new ATOM 0 HA ASN A 30 7.401 -8.131 -2.706 1.00 0.39 H new ATOM 0 HB2 ASN A 30 8.705 -9.839 -3.749 1.00 0.47 H new ATOM 0 HB3 ASN A 30 9.379 -8.303 -4.257 1.00 0.47 H new ATOM 0 HD21 ASN A 30 12.130 -10.692 -3.261 1.00 1.12 H new ATOM 0 HD22 ASN A 30 10.740 -10.807 -4.345 1.00 1.12 H new ATOM 465 N LYS A 31 7.761 -10.244 -1.119 1.00 0.48 N ATOM 466 CA LYS A 31 7.713 -11.200 0.000 1.00 0.54 C ATOM 467 C LYS A 31 9.094 -11.602 0.554 1.00 0.58 C ATOM 468 O LYS A 31 9.186 -12.456 1.432 1.00 0.69 O ATOM 469 CB LYS A 31 6.954 -12.447 -0.443 1.00 0.62 C ATOM 470 CG LYS A 31 7.495 -13.091 -1.707 1.00 0.66 C ATOM 471 CD LYS A 31 6.540 -14.156 -2.221 1.00 0.78 C ATOM 472 CE LYS A 31 6.890 -14.605 -3.628 1.00 1.32 C ATOM 473 NZ LYS A 31 5.856 -15.515 -4.189 1.00 1.77 N ATOM 0 H LYS A 31 7.281 -10.571 -1.958 1.00 0.48 H new ATOM 0 HA LYS A 31 7.203 -10.692 0.818 1.00 0.54 H new ATOM 0 HB2 LYS A 31 6.980 -13.180 0.364 1.00 0.62 H new ATOM 0 HB3 LYS A 31 5.908 -12.184 -0.602 1.00 0.62 H new ATOM 0 HG2 LYS A 31 7.645 -12.330 -2.473 1.00 0.66 H new ATOM 0 HG3 LYS A 31 8.469 -13.536 -1.505 1.00 0.66 H new ATOM 0 HD2 LYS A 31 6.561 -15.015 -1.551 1.00 0.78 H new ATOM 0 HD3 LYS A 31 5.522 -13.766 -2.208 1.00 0.78 H new ATOM 0 HE2 LYS A 31 6.995 -13.732 -4.273 1.00 1.32 H new ATOM 0 HE3 LYS A 31 7.855 -15.112 -3.619 1.00 1.32 H new ATOM 0 HZ1 LYS A 31 5.844 -15.429 -5.225 1.00 1.77 H new ATOM 0 HZ2 LYS A 31 6.077 -16.496 -3.925 1.00 1.77 H new ATOM 0 HZ3 LYS A 31 4.923 -15.256 -3.809 1.00 1.77 H new ATOM 487 N PHE A 32 10.154 -10.987 0.060 1.00 0.58 N ATOM 488 CA PHE A 32 11.497 -11.279 0.535 1.00 0.63 C ATOM 489 C PHE A 32 12.098 -10.050 1.198 1.00 0.56 C ATOM 490 O PHE A 32 13.239 -10.073 1.662 1.00 0.62 O ATOM 491 CB PHE A 32 12.383 -11.759 -0.616 1.00 0.69 C ATOM 492 CG PHE A 32 11.966 -13.087 -1.185 1.00 0.80 C ATOM 493 CD1 PHE A 32 12.436 -14.272 -0.641 1.00 0.95 C ATOM 494 CD2 PHE A 32 11.106 -13.150 -2.268 1.00 0.83 C ATOM 495 CE1 PHE A 32 12.051 -15.492 -1.161 1.00 1.08 C ATOM 496 CE2 PHE A 32 10.718 -14.366 -2.792 1.00 0.96 C ATOM 497 CZ PHE A 32 11.190 -15.542 -2.233 1.00 1.07 C ATOM 0 H PHE A 32 10.111 -10.279 -0.673 1.00 0.58 H new ATOM 0 HA PHE A 32 11.438 -12.078 1.274 1.00 0.63 H new ATOM 0 HB2 PHE A 32 12.368 -11.012 -1.410 1.00 0.69 H new ATOM 0 HB3 PHE A 32 13.412 -11.831 -0.265 1.00 0.69 H new ATOM 0 HD1 PHE A 32 13.112 -14.241 0.201 1.00 0.95 H new ATOM 0 HD2 PHE A 32 10.734 -12.236 -2.708 1.00 0.83 H new ATOM 0 HE1 PHE A 32 12.426 -16.407 -0.726 1.00 1.08 H new ATOM 0 HE2 PHE A 32 10.047 -14.401 -3.637 1.00 0.96 H new ATOM 0 HZ PHE A 32 10.883 -16.495 -2.637 1.00 1.07 H new ATOM 507 N GLY A 33 11.318 -8.975 1.250 1.00 0.49 N ATOM 508 CA GLY A 33 11.780 -7.759 1.885 1.00 0.49 C ATOM 509 C GLY A 33 12.662 -6.951 0.965 1.00 0.45 C ATOM 510 O GLY A 33 13.474 -6.142 1.408 1.00 0.54 O ATOM 0 H GLY A 33 10.375 -8.926 0.863 1.00 0.49 H new ATOM 0 HA2 GLY A 33 10.923 -7.158 2.188 1.00 0.49 H new ATOM 0 HA3 GLY A 33 12.331 -8.008 2.792 1.00 0.49 H new ATOM 514 N LYS A 34 12.521 -7.199 -0.321 1.00 0.42 N ATOM 515 CA LYS A 34 13.328 -6.516 -1.316 1.00 0.52 C ATOM 516 C LYS A 34 12.527 -5.447 -2.008 1.00 0.38 C ATOM 517 O LYS A 34 11.409 -5.679 -2.464 1.00 0.72 O ATOM 518 CB LYS A 34 13.881 -7.500 -2.339 1.00 0.85 C ATOM 519 CG LYS A 34 14.710 -8.590 -1.707 1.00 1.17 C ATOM 520 CD LYS A 34 16.138 -8.144 -1.451 1.00 1.92 C ATOM 521 CE LYS A 34 16.937 -9.239 -0.764 1.00 2.73 C ATOM 522 NZ LYS A 34 18.365 -8.869 -0.595 1.00 3.25 N ATOM 0 H LYS A 34 11.854 -7.869 -0.704 1.00 0.42 H new ATOM 0 HA LYS A 34 14.166 -6.047 -0.800 1.00 0.52 H new ATOM 0 HB2 LYS A 34 13.054 -7.950 -2.888 1.00 0.85 H new ATOM 0 HB3 LYS A 34 14.490 -6.960 -3.065 1.00 0.85 H new ATOM 0 HG2 LYS A 34 14.251 -8.895 -0.766 1.00 1.17 H new ATOM 0 HG3 LYS A 34 14.715 -9.465 -2.357 1.00 1.17 H new ATOM 0 HD2 LYS A 34 16.615 -7.879 -2.395 1.00 1.92 H new ATOM 0 HD3 LYS A 34 16.137 -7.247 -0.832 1.00 1.92 H new ATOM 0 HE2 LYS A 34 16.499 -9.448 0.212 1.00 2.73 H new ATOM 0 HE3 LYS A 34 16.868 -10.157 -1.347 1.00 2.73 H new ATOM 0 HZ1 LYS A 34 18.871 -9.645 -0.122 1.00 3.25 H new ATOM 0 HZ2 LYS A 34 18.791 -8.695 -1.528 1.00 3.25 H new ATOM 0 HZ3 LYS A 34 18.434 -8.008 -0.017 1.00 3.25 H new ATOM 536 N SER A 35 13.125 -4.286 -2.083 1.00 0.46 N ATOM 537 CA SER A 35 12.480 -3.127 -2.671 1.00 0.48 C ATOM 538 C SER A 35 12.282 -3.326 -4.169 1.00 0.58 C ATOM 539 O SER A 35 13.190 -3.778 -4.876 1.00 0.74 O ATOM 540 CB SER A 35 13.300 -1.865 -2.389 1.00 0.69 C ATOM 541 OG SER A 35 12.683 -0.707 -2.937 1.00 1.55 O ATOM 0 H SER A 35 14.070 -4.111 -1.741 1.00 0.46 H new ATOM 0 HA SER A 35 11.497 -3.005 -2.216 1.00 0.48 H new ATOM 0 HB2 SER A 35 13.418 -1.740 -1.313 1.00 0.69 H new ATOM 0 HB3 SER A 35 14.300 -1.979 -2.809 1.00 0.69 H new ATOM 0 HG SER A 35 13.231 0.081 -2.738 1.00 1.55 H new ATOM 547 N MET A 36 11.088 -3.012 -4.641 1.00 0.58 N ATOM 548 CA MET A 36 10.748 -3.167 -6.044 1.00 0.76 C ATOM 549 C MET A 36 9.838 -2.033 -6.496 1.00 0.87 C ATOM 550 O MET A 36 9.219 -1.359 -5.671 1.00 0.94 O ATOM 551 CB MET A 36 10.075 -4.524 -6.286 1.00 0.81 C ATOM 552 CG MET A 36 8.879 -4.784 -5.384 1.00 1.07 C ATOM 553 SD MET A 36 8.053 -6.345 -5.746 1.00 1.38 S ATOM 554 CE MET A 36 7.380 -5.993 -7.366 1.00 1.15 C ATOM 0 H MET A 36 10.330 -2.644 -4.065 1.00 0.58 H new ATOM 0 HA MET A 36 11.666 -3.129 -6.630 1.00 0.76 H new ATOM 0 HB2 MET A 36 9.753 -4.579 -7.326 1.00 0.81 H new ATOM 0 HB3 MET A 36 10.810 -5.315 -6.137 1.00 0.81 H new ATOM 0 HG2 MET A 36 9.208 -4.785 -4.345 1.00 1.07 H new ATOM 0 HG3 MET A 36 8.165 -3.967 -5.492 1.00 1.07 H new ATOM 0 HE1 MET A 36 6.578 -6.697 -7.588 1.00 1.15 H new ATOM 0 HE2 MET A 36 6.985 -4.977 -7.383 1.00 1.15 H new ATOM 0 HE3 MET A 36 8.166 -6.090 -8.115 1.00 1.15 H new ATOM 564 N ASN A 37 9.780 -1.815 -7.800 1.00 1.03 N ATOM 565 CA ASN A 37 8.930 -0.780 -8.374 1.00 1.17 C ATOM 566 C ASN A 37 7.474 -1.230 -8.366 1.00 0.99 C ATOM 567 O ASN A 37 7.177 -2.421 -8.492 1.00 1.03 O ATOM 568 CB ASN A 37 9.385 -0.439 -9.800 1.00 1.55 C ATOM 569 CG ASN A 37 9.209 -1.594 -10.770 1.00 2.18 C ATOM 570 OD1 ASN A 37 8.178 -1.714 -11.433 1.00 2.78 O ATOM 571 ND2 ASN A 37 10.213 -2.450 -10.866 1.00 2.51 N ATOM 0 H ASN A 37 10.316 -2.345 -8.487 1.00 1.03 H new ATOM 0 HA ASN A 37 9.017 0.120 -7.765 1.00 1.17 H new ATOM 0 HB2 ASN A 37 8.820 0.420 -10.160 1.00 1.55 H new ATOM 0 HB3 ASN A 37 10.434 -0.145 -9.780 1.00 1.55 H new ATOM 0 HD21 ASN A 37 10.149 -3.242 -11.506 1.00 2.51 H new ATOM 0 HD22 ASN A 37 11.052 -2.318 -10.301 1.00 2.51 H new ATOM 578 N MET A 38 6.570 -0.272 -8.208 1.00 1.01 N ATOM 579 CA MET A 38 5.152 -0.573 -8.088 1.00 0.99 C ATOM 580 C MET A 38 4.395 -0.106 -9.329 1.00 0.86 C ATOM 581 O MET A 38 4.568 1.031 -9.780 1.00 0.81 O ATOM 582 CB MET A 38 4.580 0.087 -6.828 1.00 1.23 C ATOM 583 CG MET A 38 3.132 -0.274 -6.555 1.00 0.95 C ATOM 584 SD MET A 38 2.540 0.383 -4.984 1.00 1.15 S ATOM 585 CE MET A 38 0.863 -0.240 -4.974 1.00 1.32 C ATOM 0 H MET A 38 6.795 0.722 -8.160 1.00 1.01 H new ATOM 0 HA MET A 38 5.031 -1.653 -8.004 1.00 0.99 H new ATOM 0 HB2 MET A 38 5.186 -0.203 -5.970 1.00 1.23 H new ATOM 0 HB3 MET A 38 4.663 1.169 -6.926 1.00 1.23 H new ATOM 0 HG2 MET A 38 2.507 0.107 -7.363 1.00 0.95 H new ATOM 0 HG3 MET A 38 3.025 -1.359 -6.555 1.00 0.95 H new ATOM 0 HE1 MET A 38 0.293 0.262 -4.192 1.00 1.32 H new ATOM 0 HE2 MET A 38 0.398 -0.050 -5.941 1.00 1.32 H new ATOM 0 HE3 MET A 38 0.875 -1.313 -4.782 1.00 1.32 H new ATOM 595 N PRO A 39 3.562 -0.984 -9.907 1.00 0.92 N ATOM 596 CA PRO A 39 2.778 -0.669 -11.106 1.00 0.91 C ATOM 597 C PRO A 39 1.539 0.175 -10.804 1.00 0.76 C ATOM 598 O PRO A 39 1.065 0.219 -9.666 1.00 0.83 O ATOM 599 CB PRO A 39 2.372 -2.047 -11.617 1.00 1.16 C ATOM 600 CG PRO A 39 2.287 -2.890 -10.392 1.00 1.24 C ATOM 601 CD PRO A 39 3.330 -2.367 -9.445 1.00 1.13 C ATOM 0 HA PRO A 39 3.347 -0.074 -11.820 1.00 0.91 H new ATOM 0 HB2 PRO A 39 1.417 -2.010 -12.140 1.00 1.16 H new ATOM 0 HB3 PRO A 39 3.106 -2.441 -12.320 1.00 1.16 H new ATOM 0 HG2 PRO A 39 1.294 -2.830 -9.947 1.00 1.24 H new ATOM 0 HG3 PRO A 39 2.468 -3.939 -10.629 1.00 1.24 H new ATOM 0 HD2 PRO A 39 2.981 -2.391 -8.413 1.00 1.13 H new ATOM 0 HD3 PRO A 39 4.243 -2.961 -9.487 1.00 1.13 H new ATOM 609 N GLU A 40 1.017 0.837 -11.827 1.00 0.77 N ATOM 610 CA GLU A 40 -0.169 1.672 -11.679 1.00 0.69 C ATOM 611 C GLU A 40 -1.302 1.155 -12.562 1.00 0.73 C ATOM 612 O GLU A 40 -1.061 0.644 -13.656 1.00 1.09 O ATOM 613 CB GLU A 40 0.146 3.125 -12.050 1.00 0.76 C ATOM 614 CG GLU A 40 -1.042 4.059 -11.885 1.00 0.72 C ATOM 615 CD GLU A 40 -0.795 5.442 -12.436 1.00 0.94 C ATOM 616 OE1 GLU A 40 -1.033 5.663 -13.639 1.00 1.15 O ATOM 617 OE2 GLU A 40 -0.338 6.314 -11.670 1.00 1.09 O ATOM 0 H GLU A 40 1.398 0.812 -12.773 1.00 0.77 H new ATOM 0 HA GLU A 40 -0.482 1.630 -10.636 1.00 0.69 H new ATOM 0 HB2 GLU A 40 0.968 3.481 -11.429 1.00 0.76 H new ATOM 0 HB3 GLU A 40 0.488 3.163 -13.084 1.00 0.76 H new ATOM 0 HG2 GLU A 40 -1.908 3.626 -12.385 1.00 0.72 H new ATOM 0 HG3 GLU A 40 -1.290 4.136 -10.826 1.00 0.72 H new ATOM 624 N GLY A 41 -2.535 1.288 -12.081 1.00 0.64 N ATOM 625 CA GLY A 41 -3.685 0.910 -12.880 1.00 0.66 C ATOM 626 C GLY A 41 -4.114 -0.525 -12.658 1.00 0.62 C ATOM 627 O GLY A 41 -5.021 -1.017 -13.326 1.00 0.68 O ATOM 0 H GLY A 41 -2.757 1.650 -11.154 1.00 0.64 H new ATOM 0 HA2 GLY A 41 -4.518 1.573 -12.645 1.00 0.66 H new ATOM 0 HA3 GLY A 41 -3.451 1.054 -13.935 1.00 0.66 H new ATOM 631 N LYS A 42 -3.460 -1.199 -11.727 1.00 0.59 N ATOM 632 CA LYS A 42 -3.776 -2.587 -11.425 1.00 0.59 C ATOM 633 C LYS A 42 -4.392 -2.710 -10.045 1.00 0.52 C ATOM 634 O LYS A 42 -3.946 -2.056 -9.105 1.00 0.54 O ATOM 635 CB LYS A 42 -2.515 -3.440 -11.471 1.00 0.67 C ATOM 636 CG LYS A 42 -1.891 -3.543 -12.854 1.00 0.85 C ATOM 637 CD LYS A 42 -0.596 -4.342 -12.830 1.00 1.45 C ATOM 638 CE LYS A 42 -0.807 -5.773 -12.347 1.00 1.85 C ATOM 639 NZ LYS A 42 -1.748 -6.526 -13.219 1.00 2.30 N ATOM 0 H LYS A 42 -2.704 -0.807 -11.165 1.00 0.59 H new ATOM 0 HA LYS A 42 -4.487 -2.935 -12.174 1.00 0.59 H new ATOM 0 HB2 LYS A 42 -1.781 -3.023 -10.782 1.00 0.67 H new ATOM 0 HB3 LYS A 42 -2.753 -4.442 -11.115 1.00 0.67 H new ATOM 0 HG2 LYS A 42 -2.597 -4.015 -13.537 1.00 0.85 H new ATOM 0 HG3 LYS A 42 -1.694 -2.543 -13.240 1.00 0.85 H new ATOM 0 HD2 LYS A 42 -0.164 -4.359 -13.830 1.00 1.45 H new ATOM 0 HD3 LYS A 42 0.123 -3.844 -12.180 1.00 1.45 H new ATOM 0 HE2 LYS A 42 0.152 -6.290 -12.318 1.00 1.85 H new ATOM 0 HE3 LYS A 42 -1.192 -5.758 -11.327 1.00 1.85 H new ATOM 0 HZ1 LYS A 42 -1.745 -7.530 -12.947 1.00 2.30 H new ATOM 0 HZ2 LYS A 42 -2.707 -6.140 -13.109 1.00 2.30 H new ATOM 0 HZ3 LYS A 42 -1.450 -6.435 -14.211 1.00 2.30 H new ATOM 653 N VAL A 43 -5.416 -3.539 -9.928 1.00 0.48 N ATOM 654 CA VAL A 43 -5.984 -3.853 -8.628 1.00 0.45 C ATOM 655 C VAL A 43 -5.244 -5.037 -8.012 1.00 0.39 C ATOM 656 O VAL A 43 -5.196 -6.126 -8.590 1.00 0.46 O ATOM 657 CB VAL A 43 -7.495 -4.170 -8.707 1.00 0.54 C ATOM 658 CG1 VAL A 43 -8.054 -4.495 -7.326 1.00 0.69 C ATOM 659 CG2 VAL A 43 -8.253 -3.007 -9.325 1.00 0.93 C ATOM 0 H VAL A 43 -5.869 -4.005 -10.714 1.00 0.48 H new ATOM 0 HA VAL A 43 -5.867 -2.969 -8.001 1.00 0.45 H new ATOM 0 HB VAL A 43 -7.625 -5.046 -9.343 1.00 0.54 H new ATOM 0 HG11 VAL A 43 -9.119 -4.715 -7.407 1.00 0.69 H new ATOM 0 HG12 VAL A 43 -7.535 -5.362 -6.918 1.00 0.69 H new ATOM 0 HG13 VAL A 43 -7.909 -3.641 -6.665 1.00 0.69 H new ATOM 0 HG21 VAL A 43 -9.315 -3.249 -9.372 1.00 0.93 H new ATOM 0 HG22 VAL A 43 -8.111 -2.115 -8.715 1.00 0.93 H new ATOM 0 HG23 VAL A 43 -7.878 -2.822 -10.332 1.00 0.93 H new ATOM 669 N MET A 44 -4.658 -4.806 -6.847 1.00 0.35 N ATOM 670 CA MET A 44 -3.931 -5.838 -6.122 1.00 0.36 C ATOM 671 C MET A 44 -4.737 -6.285 -4.921 1.00 0.34 C ATOM 672 O MET A 44 -5.505 -5.505 -4.358 1.00 0.39 O ATOM 673 CB MET A 44 -2.562 -5.338 -5.651 1.00 0.46 C ATOM 674 CG MET A 44 -1.493 -5.318 -6.731 1.00 0.76 C ATOM 675 SD MET A 44 -1.708 -3.994 -7.938 1.00 1.31 S ATOM 676 CE MET A 44 -1.566 -2.550 -6.887 1.00 1.20 C ATOM 0 H MET A 44 -4.673 -3.900 -6.378 1.00 0.35 H new ATOM 0 HA MET A 44 -3.775 -6.674 -6.803 1.00 0.36 H new ATOM 0 HB2 MET A 44 -2.675 -4.330 -5.251 1.00 0.46 H new ATOM 0 HB3 MET A 44 -2.221 -5.970 -4.831 1.00 0.46 H new ATOM 0 HG2 MET A 44 -0.515 -5.214 -6.261 1.00 0.76 H new ATOM 0 HG3 MET A 44 -1.496 -6.276 -7.251 1.00 0.76 H new ATOM 0 HE1 MET A 44 -1.305 -1.683 -7.493 1.00 1.20 H new ATOM 0 HE2 MET A 44 -2.517 -2.369 -6.386 1.00 1.20 H new ATOM 0 HE3 MET A 44 -0.790 -2.718 -6.141 1.00 1.20 H new ATOM 686 N GLU A 45 -4.579 -7.536 -4.531 1.00 0.31 N ATOM 687 CA GLU A 45 -5.257 -8.033 -3.352 1.00 0.34 C ATOM 688 C GLU A 45 -4.295 -8.293 -2.202 1.00 0.30 C ATOM 689 O GLU A 45 -3.129 -8.661 -2.390 1.00 0.35 O ATOM 690 CB GLU A 45 -6.083 -9.276 -3.676 1.00 0.47 C ATOM 691 CG GLU A 45 -7.426 -8.926 -4.288 1.00 0.99 C ATOM 692 CD GLU A 45 -8.239 -10.137 -4.681 1.00 1.17 C ATOM 693 OE1 GLU A 45 -7.965 -10.729 -5.741 1.00 1.43 O ATOM 694 OE2 GLU A 45 -9.175 -10.493 -3.938 1.00 1.64 O ATOM 0 H GLU A 45 -3.992 -8.220 -5.009 1.00 0.31 H new ATOM 0 HA GLU A 45 -5.940 -7.250 -3.022 1.00 0.34 H new ATOM 0 HB2 GLU A 45 -5.526 -9.911 -4.365 1.00 0.47 H new ATOM 0 HB3 GLU A 45 -6.240 -9.854 -2.765 1.00 0.47 H new ATOM 0 HG2 GLU A 45 -7.997 -8.329 -3.577 1.00 0.99 H new ATOM 0 HG3 GLU A 45 -7.265 -8.304 -5.169 1.00 0.99 H new ATOM 701 N THR A 46 -4.823 -8.102 -1.013 1.00 0.29 N ATOM 702 CA THR A 46 -4.052 -8.206 0.207 1.00 0.31 C ATOM 703 C THR A 46 -4.247 -9.580 0.829 1.00 0.39 C ATOM 704 O THR A 46 -5.120 -10.337 0.400 1.00 0.49 O ATOM 705 CB THR A 46 -4.481 -7.137 1.227 1.00 0.42 C ATOM 706 OG1 THR A 46 -5.821 -7.397 1.658 1.00 0.53 O ATOM 707 CG2 THR A 46 -4.406 -5.744 0.624 1.00 0.50 C ATOM 0 H THR A 46 -5.805 -7.869 -0.864 1.00 0.29 H new ATOM 0 HA THR A 46 -3.003 -8.053 -0.048 1.00 0.31 H new ATOM 0 HB THR A 46 -3.800 -7.182 2.077 1.00 0.42 H new ATOM 0 HG1 THR A 46 -6.297 -6.549 1.775 1.00 0.53 H new ATOM 0 HG21 THR A 46 -4.715 -5.009 1.367 1.00 0.50 H new ATOM 0 HG22 THR A 46 -3.382 -5.537 0.312 1.00 0.50 H new ATOM 0 HG23 THR A 46 -5.067 -5.686 -0.241 1.00 0.50 H new ATOM 715 N ARG A 47 -3.430 -9.917 1.822 1.00 0.39 N ATOM 716 CA ARG A 47 -3.659 -11.116 2.626 1.00 0.51 C ATOM 717 C ARG A 47 -5.002 -11.053 3.323 1.00 0.72 C ATOM 718 O ARG A 47 -5.581 -12.066 3.715 1.00 0.92 O ATOM 719 CB ARG A 47 -2.589 -11.258 3.692 1.00 0.54 C ATOM 720 CG ARG A 47 -2.216 -9.972 4.395 1.00 0.95 C ATOM 721 CD ARG A 47 -1.520 -10.284 5.704 1.00 1.27 C ATOM 722 NE ARG A 47 -1.113 -9.080 6.427 1.00 2.09 N ATOM 723 CZ ARG A 47 -1.537 -8.758 7.649 1.00 2.77 C ATOM 724 NH1 ARG A 47 -2.445 -9.512 8.263 1.00 2.94 N ATOM 725 NH2 ARG A 47 -1.061 -7.670 8.244 1.00 3.73 N ATOM 0 H ARG A 47 -2.605 -9.380 2.090 1.00 0.39 H new ATOM 0 HA ARG A 47 -3.631 -11.968 1.946 1.00 0.51 H new ATOM 0 HB2 ARG A 47 -2.932 -11.976 4.437 1.00 0.54 H new ATOM 0 HB3 ARG A 47 -1.693 -11.677 3.234 1.00 0.54 H new ATOM 0 HG2 ARG A 47 -1.562 -9.376 3.758 1.00 0.95 H new ATOM 0 HG3 ARG A 47 -3.110 -9.376 4.581 1.00 0.95 H new ATOM 0 HD2 ARG A 47 -2.186 -10.873 6.334 1.00 1.27 H new ATOM 0 HD3 ARG A 47 -0.642 -10.899 5.506 1.00 1.27 H new ATOM 0 HE ARG A 47 -0.462 -8.445 5.966 1.00 2.09 H new ATOM 0 HH11 ARG A 47 -2.819 -10.340 7.799 1.00 2.94 H new ATOM 0 HH12 ARG A 47 -2.767 -9.263 9.198 1.00 2.94 H new ATOM 0 HH21 ARG A 47 -0.375 -7.086 7.766 1.00 3.73 H new ATOM 0 HH22 ARG A 47 -1.382 -7.418 9.179 1.00 3.73 H new ATOM 739 N ASP A 48 -5.473 -9.842 3.462 1.00 0.78 N ATOM 740 CA ASP A 48 -6.655 -9.541 4.231 1.00 1.06 C ATOM 741 C ASP A 48 -7.915 -9.720 3.389 1.00 1.04 C ATOM 742 O ASP A 48 -9.027 -9.792 3.913 1.00 1.45 O ATOM 743 CB ASP A 48 -6.502 -8.115 4.743 1.00 1.30 C ATOM 744 CG ASP A 48 -7.690 -7.613 5.532 1.00 1.83 C ATOM 745 OD1 ASP A 48 -7.736 -7.846 6.756 1.00 2.70 O ATOM 746 OD2 ASP A 48 -8.569 -6.959 4.932 1.00 1.79 O ATOM 0 H ASP A 48 -5.040 -9.022 3.037 1.00 0.78 H new ATOM 0 HA ASP A 48 -6.761 -10.226 5.072 1.00 1.06 H new ATOM 0 HB2 ASP A 48 -5.612 -8.059 5.370 1.00 1.30 H new ATOM 0 HB3 ASP A 48 -6.336 -7.451 3.894 1.00 1.30 H new ATOM 751 N GLY A 49 -7.731 -9.829 2.080 1.00 0.68 N ATOM 752 CA GLY A 49 -8.853 -10.040 1.192 1.00 0.72 C ATOM 753 C GLY A 49 -9.438 -8.739 0.702 1.00 0.70 C ATOM 754 O GLY A 49 -10.565 -8.698 0.211 1.00 0.77 O ATOM 0 H GLY A 49 -6.823 -9.775 1.619 1.00 0.68 H new ATOM 0 HA2 GLY A 49 -8.533 -10.638 0.339 1.00 0.72 H new ATOM 0 HA3 GLY A 49 -9.623 -10.611 1.710 1.00 0.72 H new ATOM 758 N THR A 50 -8.669 -7.674 0.839 1.00 0.65 N ATOM 759 CA THR A 50 -9.086 -6.372 0.368 1.00 0.69 C ATOM 760 C THR A 50 -8.416 -6.062 -0.963 1.00 0.55 C ATOM 761 O THR A 50 -7.343 -6.589 -1.268 1.00 0.52 O ATOM 762 CB THR A 50 -8.773 -5.273 1.406 1.00 0.83 C ATOM 763 OG1 THR A 50 -7.689 -5.683 2.252 1.00 1.25 O ATOM 764 CG2 THR A 50 -9.991 -4.973 2.260 1.00 1.35 C ATOM 0 H THR A 50 -7.747 -7.689 1.276 1.00 0.65 H new ATOM 0 HA THR A 50 -10.166 -6.390 0.225 1.00 0.69 H new ATOM 0 HB THR A 50 -8.491 -4.370 0.864 1.00 0.83 H new ATOM 0 HG1 THR A 50 -8.047 -6.073 3.076 1.00 1.25 H new ATOM 0 HG21 THR A 50 -9.745 -4.196 2.984 1.00 1.35 H new ATOM 0 HG22 THR A 50 -10.807 -4.631 1.623 1.00 1.35 H new ATOM 0 HG23 THR A 50 -10.297 -5.876 2.788 1.00 1.35 H new ATOM 772 N LYS A 51 -9.063 -5.225 -1.756 1.00 0.53 N ATOM 773 CA LYS A 51 -8.605 -4.937 -3.108 1.00 0.52 C ATOM 774 C LYS A 51 -8.128 -3.495 -3.193 1.00 0.51 C ATOM 775 O LYS A 51 -8.825 -2.581 -2.759 1.00 0.56 O ATOM 776 CB LYS A 51 -9.742 -5.199 -4.098 1.00 0.59 C ATOM 777 CG LYS A 51 -10.325 -6.600 -3.972 1.00 0.67 C ATOM 778 CD LYS A 51 -11.612 -6.754 -4.766 1.00 1.19 C ATOM 779 CE LYS A 51 -12.309 -8.074 -4.457 1.00 1.26 C ATOM 780 NZ LYS A 51 -11.552 -9.252 -4.964 1.00 1.84 N ATOM 0 H LYS A 51 -9.913 -4.729 -1.486 1.00 0.53 H new ATOM 0 HA LYS A 51 -7.768 -5.588 -3.362 1.00 0.52 H new ATOM 0 HB2 LYS A 51 -10.533 -4.466 -3.938 1.00 0.59 H new ATOM 0 HB3 LYS A 51 -9.374 -5.054 -5.114 1.00 0.59 H new ATOM 0 HG2 LYS A 51 -9.594 -7.330 -4.321 1.00 0.67 H new ATOM 0 HG3 LYS A 51 -10.518 -6.819 -2.922 1.00 0.67 H new ATOM 0 HD2 LYS A 51 -12.283 -5.926 -4.537 1.00 1.19 H new ATOM 0 HD3 LYS A 51 -11.391 -6.700 -5.832 1.00 1.19 H new ATOM 0 HE2 LYS A 51 -12.441 -8.168 -3.379 1.00 1.26 H new ATOM 0 HE3 LYS A 51 -13.305 -8.068 -4.901 1.00 1.26 H new ATOM 0 HZ1 LYS A 51 -12.174 -10.085 -4.977 1.00 1.84 H new ATOM 0 HZ2 LYS A 51 -11.213 -9.058 -5.928 1.00 1.84 H new ATOM 0 HZ3 LYS A 51 -10.739 -9.436 -4.342 1.00 1.84 H new ATOM 794 N ILE A 52 -6.929 -3.303 -3.722 1.00 0.47 N ATOM 795 CA ILE A 52 -6.265 -2.006 -3.710 1.00 0.46 C ATOM 796 C ILE A 52 -5.770 -1.655 -5.118 1.00 0.46 C ATOM 797 O ILE A 52 -5.708 -2.523 -5.980 1.00 0.52 O ATOM 798 CB ILE A 52 -5.047 -2.026 -2.743 1.00 0.48 C ATOM 799 CG1 ILE A 52 -3.780 -2.535 -3.449 1.00 0.49 C ATOM 800 CG2 ILE A 52 -5.346 -2.919 -1.550 1.00 0.66 C ATOM 801 CD1 ILE A 52 -2.551 -2.560 -2.555 1.00 0.51 C ATOM 0 H ILE A 52 -6.388 -4.041 -4.172 1.00 0.47 H new ATOM 0 HA ILE A 52 -6.985 -1.260 -3.373 1.00 0.46 H new ATOM 0 HB ILE A 52 -4.871 -1.003 -2.409 1.00 0.48 H new ATOM 0 HG12 ILE A 52 -3.964 -3.541 -3.827 1.00 0.49 H new ATOM 0 HG13 ILE A 52 -3.577 -1.902 -4.313 1.00 0.49 H new ATOM 0 HG21 ILE A 52 -4.488 -2.927 -0.878 1.00 0.66 H new ATOM 0 HG22 ILE A 52 -6.219 -2.538 -1.020 1.00 0.66 H new ATOM 0 HG23 ILE A 52 -5.546 -3.933 -1.896 1.00 0.66 H new ATOM 0 HD11 ILE A 52 -1.696 -2.930 -3.121 1.00 0.51 H new ATOM 0 HD12 ILE A 52 -2.340 -1.552 -2.198 1.00 0.51 H new ATOM 0 HD13 ILE A 52 -2.734 -3.216 -1.704 1.00 0.51 H new ATOM 813 N ILE A 53 -5.421 -0.393 -5.347 1.00 0.42 N ATOM 814 CA ILE A 53 -4.800 0.022 -6.620 1.00 0.41 C ATOM 815 C ILE A 53 -4.158 1.403 -6.501 1.00 0.42 C ATOM 816 O ILE A 53 -4.678 2.286 -5.830 1.00 0.44 O ATOM 817 CB ILE A 53 -5.797 -0.041 -7.829 1.00 0.40 C ATOM 818 CG1 ILE A 53 -5.302 0.764 -9.052 1.00 0.43 C ATOM 819 CG2 ILE A 53 -7.190 0.414 -7.420 1.00 0.42 C ATOM 820 CD1 ILE A 53 -5.787 2.205 -9.112 1.00 0.98 C ATOM 0 H ILE A 53 -5.553 0.364 -4.677 1.00 0.42 H new ATOM 0 HA ILE A 53 -4.011 -0.700 -6.830 1.00 0.41 H new ATOM 0 HB ILE A 53 -5.846 -1.087 -8.131 1.00 0.40 H new ATOM 0 HG12 ILE A 53 -4.212 0.763 -9.052 1.00 0.43 H new ATOM 0 HG13 ILE A 53 -5.621 0.251 -9.959 1.00 0.43 H new ATOM 0 HG21 ILE A 53 -7.858 0.359 -8.280 1.00 0.42 H new ATOM 0 HG22 ILE A 53 -7.566 -0.232 -6.627 1.00 0.42 H new ATOM 0 HG23 ILE A 53 -7.146 1.442 -7.060 1.00 0.42 H new ATOM 0 HD11 ILE A 53 -5.387 2.687 -10.004 1.00 0.98 H new ATOM 0 HD12 ILE A 53 -6.876 2.221 -9.148 1.00 0.98 H new ATOM 0 HD13 ILE A 53 -5.445 2.741 -8.227 1.00 0.98 H new ATOM 832 N MET A 54 -3.023 1.574 -7.168 1.00 0.44 N ATOM 833 CA MET A 54 -2.254 2.814 -7.106 1.00 0.47 C ATOM 834 C MET A 54 -2.534 3.665 -8.335 1.00 0.48 C ATOM 835 O MET A 54 -2.563 3.153 -9.455 1.00 0.54 O ATOM 836 CB MET A 54 -0.758 2.493 -7.029 1.00 0.52 C ATOM 837 CG MET A 54 0.142 3.718 -7.051 1.00 0.60 C ATOM 838 SD MET A 54 1.889 3.289 -7.160 1.00 1.08 S ATOM 839 CE MET A 54 2.648 4.911 -7.115 1.00 1.50 C ATOM 0 H MET A 54 -2.609 0.859 -7.767 1.00 0.44 H new ATOM 0 HA MET A 54 -2.550 3.369 -6.216 1.00 0.47 H new ATOM 0 HB2 MET A 54 -0.565 1.930 -6.116 1.00 0.52 H new ATOM 0 HB3 MET A 54 -0.493 1.846 -7.865 1.00 0.52 H new ATOM 0 HG2 MET A 54 -0.128 4.348 -7.899 1.00 0.60 H new ATOM 0 HG3 MET A 54 -0.029 4.307 -6.150 1.00 0.60 H new ATOM 0 HE1 MET A 54 3.708 4.823 -7.351 1.00 1.50 H new ATOM 0 HE2 MET A 54 2.166 5.559 -7.847 1.00 1.50 H new ATOM 0 HE3 MET A 54 2.532 5.339 -6.119 1.00 1.50 H new ATOM 849 N LYS A 55 -2.768 4.951 -8.122 1.00 0.52 N ATOM 850 CA LYS A 55 -2.972 5.880 -9.217 1.00 0.58 C ATOM 851 C LYS A 55 -2.393 7.243 -8.852 1.00 0.66 C ATOM 852 O LYS A 55 -2.781 7.832 -7.845 1.00 0.70 O ATOM 853 CB LYS A 55 -4.463 6.018 -9.543 1.00 0.72 C ATOM 854 CG LYS A 55 -4.730 6.559 -10.940 1.00 0.95 C ATOM 855 CD LYS A 55 -4.378 5.530 -12.005 1.00 0.94 C ATOM 856 CE LYS A 55 -4.468 6.114 -13.408 1.00 1.11 C ATOM 857 NZ LYS A 55 -3.375 7.085 -13.688 1.00 1.69 N ATOM 0 H LYS A 55 -2.821 5.374 -7.195 1.00 0.52 H new ATOM 0 HA LYS A 55 -2.461 5.493 -10.099 1.00 0.58 H new ATOM 0 HB2 LYS A 55 -4.941 5.044 -9.442 1.00 0.72 H new ATOM 0 HB3 LYS A 55 -4.928 6.679 -8.811 1.00 0.72 H new ATOM 0 HG2 LYS A 55 -5.780 6.836 -11.031 1.00 0.95 H new ATOM 0 HG3 LYS A 55 -4.146 7.466 -11.099 1.00 0.95 H new ATOM 0 HD2 LYS A 55 -3.369 5.157 -11.831 1.00 0.94 H new ATOM 0 HD3 LYS A 55 -5.051 4.677 -11.923 1.00 0.94 H new ATOM 0 HE2 LYS A 55 -4.429 5.306 -14.138 1.00 1.11 H new ATOM 0 HE3 LYS A 55 -5.431 6.609 -13.532 1.00 1.11 H new ATOM 0 HZ1 LYS A 55 -3.656 7.707 -14.473 1.00 1.69 H new ATOM 0 HZ2 LYS A 55 -3.194 7.658 -12.839 1.00 1.69 H new ATOM 0 HZ3 LYS A 55 -2.510 6.569 -13.948 1.00 1.69 H new ATOM 871 N GLY A 56 -1.461 7.729 -9.660 1.00 0.77 N ATOM 872 CA GLY A 56 -0.883 9.045 -9.438 1.00 0.93 C ATOM 873 C GLY A 56 -0.198 9.187 -8.089 1.00 0.94 C ATOM 874 O GLY A 56 -0.515 10.108 -7.331 1.00 1.21 O ATOM 0 H GLY A 56 -1.091 7.234 -10.471 1.00 0.77 H new ATOM 0 HA2 GLY A 56 -0.161 9.253 -10.227 1.00 0.93 H new ATOM 0 HA3 GLY A 56 -1.669 9.796 -9.518 1.00 0.93 H new ATOM 878 N ASN A 57 0.718 8.262 -7.783 1.00 0.99 N ATOM 879 CA ASN A 57 1.496 8.291 -6.529 1.00 1.05 C ATOM 880 C ASN A 57 0.629 7.958 -5.304 1.00 0.97 C ATOM 881 O ASN A 57 1.144 7.673 -4.226 1.00 1.15 O ATOM 882 CB ASN A 57 2.188 9.657 -6.366 1.00 1.30 C ATOM 883 CG ASN A 57 2.938 9.809 -5.055 1.00 1.96 C ATOM 884 OD1 ASN A 57 4.101 9.413 -4.937 1.00 2.10 O ATOM 885 ND2 ASN A 57 2.290 10.412 -4.070 1.00 2.90 N ATOM 0 H ASN A 57 0.944 7.474 -8.390 1.00 0.99 H new ATOM 0 HA ASN A 57 2.260 7.516 -6.592 1.00 1.05 H new ATOM 0 HB2 ASN A 57 2.885 9.802 -7.192 1.00 1.30 H new ATOM 0 HB3 ASN A 57 1.438 10.445 -6.439 1.00 1.30 H new ATOM 0 HD21 ASN A 57 2.752 10.564 -3.173 1.00 2.90 H new ATOM 0 HD22 ASN A 57 1.329 10.725 -4.208 1.00 2.90 H new ATOM 892 N GLU A 58 -0.680 7.967 -5.483 1.00 0.86 N ATOM 893 CA GLU A 58 -1.600 7.642 -4.404 1.00 0.84 C ATOM 894 C GLU A 58 -2.022 6.192 -4.496 1.00 0.69 C ATOM 895 O GLU A 58 -2.096 5.629 -5.588 1.00 0.75 O ATOM 896 CB GLU A 58 -2.835 8.543 -4.426 1.00 0.88 C ATOM 897 CG GLU A 58 -2.528 9.992 -4.084 1.00 1.05 C ATOM 898 CD GLU A 58 -3.774 10.835 -3.892 1.00 1.30 C ATOM 899 OE1 GLU A 58 -4.297 11.370 -4.893 1.00 1.63 O ATOM 900 OE2 GLU A 58 -4.247 10.948 -2.742 1.00 1.66 O ATOM 0 H GLU A 58 -1.132 8.196 -6.368 1.00 0.86 H new ATOM 0 HA GLU A 58 -1.077 7.810 -3.463 1.00 0.84 H new ATOM 0 HB2 GLU A 58 -3.291 8.499 -5.415 1.00 0.88 H new ATOM 0 HB3 GLU A 58 -3.570 8.158 -3.719 1.00 0.88 H new ATOM 0 HG2 GLU A 58 -1.930 10.025 -3.173 1.00 1.05 H new ATOM 0 HG3 GLU A 58 -1.922 10.426 -4.879 1.00 1.05 H new ATOM 907 N ILE A 59 -2.291 5.586 -3.358 1.00 0.64 N ATOM 908 CA ILE A 59 -2.719 4.207 -3.332 1.00 0.56 C ATOM 909 C ILE A 59 -4.140 4.120 -2.784 1.00 0.55 C ATOM 910 O ILE A 59 -4.453 4.646 -1.710 1.00 0.63 O ATOM 911 CB ILE A 59 -1.727 3.316 -2.522 1.00 0.62 C ATOM 912 CG1 ILE A 59 -1.471 1.986 -3.244 1.00 0.79 C ATOM 913 CG2 ILE A 59 -2.206 3.053 -1.097 1.00 0.58 C ATOM 914 CD1 ILE A 59 -2.669 1.066 -3.296 1.00 0.92 C ATOM 0 H ILE A 59 -2.220 6.028 -2.441 1.00 0.64 H new ATOM 0 HA ILE A 59 -2.720 3.820 -4.351 1.00 0.56 H new ATOM 0 HB ILE A 59 -0.793 3.874 -2.455 1.00 0.62 H new ATOM 0 HG12 ILE A 59 -1.144 2.196 -4.262 1.00 0.79 H new ATOM 0 HG13 ILE A 59 -0.651 1.468 -2.747 1.00 0.79 H new ATOM 0 HG21 ILE A 59 -1.479 2.428 -0.578 1.00 0.58 H new ATOM 0 HG22 ILE A 59 -2.313 4.000 -0.569 1.00 0.58 H new ATOM 0 HG23 ILE A 59 -3.168 2.542 -1.125 1.00 0.58 H new ATOM 0 HD11 ILE A 59 -2.402 0.150 -3.823 1.00 0.92 H new ATOM 0 HD12 ILE A 59 -2.985 0.822 -2.282 1.00 0.92 H new ATOM 0 HD13 ILE A 59 -3.486 1.561 -3.821 1.00 0.92 H new ATOM 926 N PHE A 60 -5.012 3.515 -3.558 1.00 0.48 N ATOM 927 CA PHE A 60 -6.339 3.209 -3.091 1.00 0.48 C ATOM 928 C PHE A 60 -6.310 1.893 -2.344 1.00 0.48 C ATOM 929 O PHE A 60 -5.790 0.888 -2.822 1.00 0.45 O ATOM 930 CB PHE A 60 -7.346 3.153 -4.251 1.00 0.50 C ATOM 931 CG PHE A 60 -8.424 2.107 -4.079 1.00 0.48 C ATOM 932 CD1 PHE A 60 -9.594 2.441 -3.436 1.00 0.69 C ATOM 933 CD2 PHE A 60 -8.283 0.816 -4.566 1.00 0.44 C ATOM 934 CE1 PHE A 60 -10.606 1.530 -3.268 1.00 0.71 C ATOM 935 CE2 PHE A 60 -9.303 -0.111 -4.406 1.00 0.47 C ATOM 936 CZ PHE A 60 -10.340 0.118 -3.774 1.00 0.54 C ATOM 0 H PHE A 60 -4.822 3.225 -4.517 1.00 0.48 H new ATOM 0 HA PHE A 60 -6.666 4.003 -2.420 1.00 0.48 H new ATOM 0 HB2 PHE A 60 -7.816 4.131 -4.358 1.00 0.50 H new ATOM 0 HB3 PHE A 60 -6.807 2.956 -5.178 1.00 0.50 H new ATOM 0 HD1 PHE A 60 -9.718 3.444 -3.055 1.00 0.69 H new ATOM 0 HD2 PHE A 60 -7.373 0.530 -5.073 1.00 0.44 H new ATOM 0 HE1 PHE A 60 -11.542 1.800 -2.802 1.00 0.71 H new ATOM 0 HE2 PHE A 60 -9.184 -1.085 -4.858 1.00 0.47 H new ATOM 0 HZ PHE A 60 -11.049 -0.674 -3.583 1.00 0.54 H new ATOM 946 N ARG A 61 -6.847 1.942 -1.164 1.00 0.60 N ATOM 947 CA ARG A 61 -7.099 0.777 -0.355 1.00 0.70 C ATOM 948 C ARG A 61 -8.164 1.224 0.595 1.00 0.69 C ATOM 949 O ARG A 61 -7.836 1.978 1.518 1.00 0.88 O ATOM 950 CB ARG A 61 -5.844 0.330 0.415 1.00 1.03 C ATOM 951 CG ARG A 61 -5.972 -1.028 1.111 1.00 1.21 C ATOM 952 CD ARG A 61 -6.915 -1.009 2.306 1.00 1.51 C ATOM 953 NE ARG A 61 -6.454 -0.114 3.365 1.00 2.25 N ATOM 954 CZ ARG A 61 -6.875 -0.170 4.624 1.00 2.70 C ATOM 955 NH1 ARG A 61 -7.777 -1.076 4.988 1.00 2.72 N ATOM 956 NH2 ARG A 61 -6.388 0.673 5.521 1.00 3.56 N ATOM 0 H ARG A 61 -7.132 2.815 -0.720 1.00 0.60 H new ATOM 0 HA ARG A 61 -7.392 -0.082 -0.959 1.00 0.70 H new ATOM 0 HB2 ARG A 61 -5.004 0.290 -0.278 1.00 1.03 H new ATOM 0 HB3 ARG A 61 -5.605 1.086 1.163 1.00 1.03 H new ATOM 0 HG2 ARG A 61 -6.326 -1.765 0.390 1.00 1.21 H new ATOM 0 HG3 ARG A 61 -4.985 -1.353 1.441 1.00 1.21 H new ATOM 0 HD2 ARG A 61 -7.907 -0.698 1.978 1.00 1.51 H new ATOM 0 HD3 ARG A 61 -7.013 -2.019 2.704 1.00 1.51 H new ATOM 0 HE ARG A 61 -5.766 0.599 3.123 1.00 2.25 H new ATOM 0 HH11 ARG A 61 -8.148 -1.731 4.300 1.00 2.72 H new ATOM 0 HH12 ARG A 61 -8.098 -1.116 5.955 1.00 2.72 H new ATOM 0 HH21 ARG A 61 -5.691 1.364 5.245 1.00 3.56 H new ATOM 0 HH22 ARG A 61 -6.710 0.631 6.488 1.00 3.56 H new ATOM 970 N LEU A 62 -9.423 0.856 0.381 1.00 0.78 N ATOM 971 CA LEU A 62 -10.505 1.324 1.256 1.00 1.07 C ATOM 972 C LEU A 62 -10.855 2.774 0.955 1.00 1.19 C ATOM 973 O LEU A 62 -12.022 3.100 0.753 1.00 1.40 O ATOM 974 CB LEU A 62 -10.162 1.172 2.740 1.00 1.26 C ATOM 975 CG LEU A 62 -10.832 -0.002 3.437 1.00 1.08 C ATOM 976 CD1 LEU A 62 -12.341 0.174 3.417 1.00 1.36 C ATOM 977 CD2 LEU A 62 -10.432 -1.311 2.769 1.00 1.32 C ATOM 0 H LEU A 62 -9.722 0.244 -0.378 1.00 0.78 H new ATOM 0 HA LEU A 62 -11.369 0.692 1.048 1.00 1.07 H new ATOM 0 HB2 LEU A 62 -9.082 1.066 2.839 1.00 1.26 H new ATOM 0 HB3 LEU A 62 -10.441 2.090 3.258 1.00 1.26 H new ATOM 0 HG LEU A 62 -10.501 -0.034 4.475 1.00 1.08 H new ATOM 0 HD11 LEU A 62 -12.813 -0.671 3.918 1.00 1.36 H new ATOM 0 HD12 LEU A 62 -12.607 1.096 3.933 1.00 1.36 H new ATOM 0 HD13 LEU A 62 -12.688 0.223 2.385 1.00 1.36 H new ATOM 0 HD21 LEU A 62 -10.919 -2.143 3.278 1.00 1.32 H new ATOM 0 HD22 LEU A 62 -10.740 -1.295 1.724 1.00 1.32 H new ATOM 0 HD23 LEU A 62 -9.350 -1.433 2.827 1.00 1.32 H new ATOM 989 N ASP A 63 -9.830 3.627 0.953 1.00 1.20 N ATOM 990 CA ASP A 63 -9.965 5.057 0.681 1.00 1.33 C ATOM 991 C ASP A 63 -10.619 5.773 1.850 1.00 1.52 C ATOM 992 O ASP A 63 -10.120 6.777 2.329 1.00 2.14 O ATOM 993 CB ASP A 63 -10.734 5.308 -0.619 1.00 1.34 C ATOM 994 CG ASP A 63 -10.955 6.787 -0.889 1.00 1.60 C ATOM 995 OD1 ASP A 63 -10.047 7.439 -1.446 1.00 1.69 O ATOM 996 OD2 ASP A 63 -12.036 7.309 -0.535 1.00 1.88 O ATOM 0 H ASP A 63 -8.870 3.339 1.143 1.00 1.20 H new ATOM 0 HA ASP A 63 -8.963 5.466 0.554 1.00 1.33 H new ATOM 0 HB2 ASP A 63 -10.186 4.868 -1.452 1.00 1.34 H new ATOM 0 HB3 ASP A 63 -11.699 4.803 -0.570 1.00 1.34 H new ATOM 1001 N GLU A 64 -11.712 5.220 2.323 1.00 1.62 N ATOM 1002 CA GLU A 64 -12.420 5.749 3.477 1.00 1.93 C ATOM 1003 C GLU A 64 -11.603 5.537 4.755 1.00 1.82 C ATOM 1004 O GLU A 64 -11.755 6.276 5.727 1.00 2.06 O ATOM 1005 CB GLU A 64 -13.793 5.080 3.593 1.00 2.31 C ATOM 1006 CG GLU A 64 -14.629 5.592 4.752 1.00 2.80 C ATOM 1007 CD GLU A 64 -16.035 5.032 4.750 1.00 3.36 C ATOM 1008 OE1 GLU A 64 -16.237 3.924 5.286 1.00 3.80 O ATOM 1009 OE2 GLU A 64 -16.945 5.691 4.204 1.00 3.77 O ATOM 0 H GLU A 64 -12.141 4.387 1.920 1.00 1.62 H new ATOM 0 HA GLU A 64 -12.562 6.822 3.344 1.00 1.93 H new ATOM 0 HB2 GLU A 64 -14.342 5.236 2.664 1.00 2.31 H new ATOM 0 HB3 GLU A 64 -13.654 4.005 3.705 1.00 2.31 H new ATOM 0 HG2 GLU A 64 -14.140 5.331 5.691 1.00 2.80 H new ATOM 0 HG3 GLU A 64 -14.676 6.680 4.708 1.00 2.80 H new ATOM 1016 N ALA A 65 -10.727 4.533 4.736 1.00 1.56 N ATOM 1017 CA ALA A 65 -9.856 4.241 5.875 1.00 1.58 C ATOM 1018 C ALA A 65 -9.011 5.459 6.241 1.00 1.62 C ATOM 1019 O ALA A 65 -9.162 6.040 7.315 1.00 1.76 O ATOM 1020 CB ALA A 65 -8.946 3.056 5.558 1.00 1.52 C ATOM 0 H ALA A 65 -10.601 3.906 3.941 1.00 1.56 H new ATOM 0 HA ALA A 65 -10.488 3.988 6.726 1.00 1.58 H new ATOM 0 HB1 ALA A 65 -8.304 2.851 6.415 1.00 1.52 H new ATOM 0 HB2 ALA A 65 -9.554 2.178 5.342 1.00 1.52 H new ATOM 0 HB3 ALA A 65 -8.329 3.293 4.691 1.00 1.52 H new ATOM 1026 N LEU A 66 -8.144 5.846 5.321 1.00 1.64 N ATOM 1027 CA LEU A 66 -7.224 6.953 5.537 1.00 1.88 C ATOM 1028 C LEU A 66 -7.824 8.271 5.047 1.00 2.10 C ATOM 1029 O LEU A 66 -7.346 9.345 5.403 1.00 2.36 O ATOM 1030 CB LEU A 66 -5.846 6.644 4.896 1.00 2.16 C ATOM 1031 CG LEU A 66 -5.741 6.572 3.352 1.00 1.52 C ATOM 1032 CD1 LEU A 66 -6.789 5.666 2.716 1.00 1.76 C ATOM 1033 CD2 LEU A 66 -5.806 7.959 2.758 1.00 1.84 C ATOM 0 H LEU A 66 -8.057 5.404 4.406 1.00 1.64 H new ATOM 0 HA LEU A 66 -7.059 7.072 6.608 1.00 1.88 H new ATOM 0 HB2 LEU A 66 -5.144 7.404 5.240 1.00 2.16 H new ATOM 0 HB3 LEU A 66 -5.503 5.690 5.295 1.00 2.16 H new ATOM 0 HG LEU A 66 -4.774 6.123 3.127 1.00 1.52 H new ATOM 0 HD11 LEU A 66 -6.658 5.662 1.634 1.00 1.76 H new ATOM 0 HD12 LEU A 66 -6.674 4.652 3.099 1.00 1.76 H new ATOM 0 HD13 LEU A 66 -7.785 6.035 2.959 1.00 1.76 H new ATOM 0 HD21 LEU A 66 -5.731 7.894 1.673 1.00 1.84 H new ATOM 0 HD22 LEU A 66 -6.752 8.427 3.029 1.00 1.84 H new ATOM 0 HD23 LEU A 66 -4.981 8.559 3.143 1.00 1.84 H new ATOM 1045 N ARG A 67 -8.878 8.152 4.240 1.00 2.14 N ATOM 1046 CA ARG A 67 -9.649 9.282 3.711 1.00 2.52 C ATOM 1047 C ARG A 67 -8.769 10.451 3.269 1.00 2.72 C ATOM 1048 O ARG A 67 -8.578 11.414 4.017 1.00 3.05 O ATOM 1049 CB ARG A 67 -10.686 9.738 4.735 1.00 2.77 C ATOM 1050 CG ARG A 67 -11.815 10.534 4.125 1.00 3.00 C ATOM 1051 CD ARG A 67 -12.912 10.794 5.135 1.00 3.22 C ATOM 1052 NE ARG A 67 -14.101 11.375 4.516 1.00 3.39 N ATOM 1053 CZ ARG A 67 -15.093 11.946 5.194 1.00 3.94 C ATOM 1054 NH1 ARG A 67 -15.026 12.061 6.517 1.00 4.45 N ATOM 1055 NH2 ARG A 67 -16.149 12.411 4.548 1.00 4.37 N ATOM 0 H ARG A 67 -9.229 7.247 3.927 1.00 2.14 H new ATOM 0 HA ARG A 67 -10.159 8.928 2.815 1.00 2.52 H new ATOM 0 HB2 ARG A 67 -11.098 8.864 5.239 1.00 2.77 H new ATOM 0 HB3 ARG A 67 -10.194 10.343 5.496 1.00 2.77 H new ATOM 0 HG2 ARG A 67 -11.432 11.482 3.748 1.00 3.00 H new ATOM 0 HG3 ARG A 67 -12.224 9.994 3.271 1.00 3.00 H new ATOM 0 HD2 ARG A 67 -13.180 9.859 5.627 1.00 3.22 H new ATOM 0 HD3 ARG A 67 -12.541 11.467 5.908 1.00 3.22 H new ATOM 0 HE ARG A 67 -14.175 11.341 3.499 1.00 3.39 H new ATOM 0 HH11 ARG A 67 -14.210 11.710 7.019 1.00 4.45 H new ATOM 0 HH12 ARG A 67 -15.790 12.500 7.030 1.00 4.45 H new ATOM 0 HH21 ARG A 67 -16.201 12.331 3.532 1.00 4.37 H new ATOM 0 HH22 ARG A 67 -16.911 12.849 5.065 1.00 4.37 H new ATOM 1069 N LYS A 68 -8.235 10.335 2.050 1.00 2.79 N ATOM 1070 CA LYS A 68 -7.395 11.361 1.417 1.00 3.26 C ATOM 1071 C LYS A 68 -6.386 11.981 2.387 1.00 3.31 C ATOM 1072 O LYS A 68 -6.244 13.206 2.479 1.00 3.49 O ATOM 1073 CB LYS A 68 -8.241 12.446 0.735 1.00 3.73 C ATOM 1074 CG LYS A 68 -9.146 13.241 1.664 1.00 4.12 C ATOM 1075 CD LYS A 68 -10.029 14.201 0.887 1.00 4.65 C ATOM 1076 CE LYS A 68 -10.820 15.107 1.814 1.00 5.37 C ATOM 1077 NZ LYS A 68 -11.601 14.344 2.822 1.00 5.92 N ATOM 0 H LYS A 68 -8.375 9.512 1.464 1.00 2.79 H new ATOM 0 HA LYS A 68 -6.819 10.848 0.647 1.00 3.26 H new ATOM 0 HB2 LYS A 68 -7.572 13.139 0.225 1.00 3.73 H new ATOM 0 HB3 LYS A 68 -8.857 11.976 -0.031 1.00 3.73 H new ATOM 0 HG2 LYS A 68 -9.769 12.557 2.241 1.00 4.12 H new ATOM 0 HG3 LYS A 68 -8.539 13.798 2.377 1.00 4.12 H new ATOM 0 HD2 LYS A 68 -9.413 14.807 0.223 1.00 4.65 H new ATOM 0 HD3 LYS A 68 -10.715 13.636 0.257 1.00 4.65 H new ATOM 0 HE2 LYS A 68 -10.136 15.785 2.325 1.00 5.37 H new ATOM 0 HE3 LYS A 68 -11.498 15.723 1.224 1.00 5.37 H new ATOM 0 HZ1 LYS A 68 -12.238 14.991 3.329 1.00 5.92 H new ATOM 0 HZ2 LYS A 68 -12.161 13.610 2.344 1.00 5.92 H new ATOM 0 HZ3 LYS A 68 -10.951 13.897 3.499 1.00 5.92 H new ATOM 1091 N GLY A 69 -5.678 11.120 3.095 1.00 3.64 N ATOM 1092 CA GLY A 69 -4.591 11.555 3.949 1.00 4.05 C ATOM 1093 C GLY A 69 -3.350 11.835 3.132 1.00 4.58 C ATOM 1094 O GLY A 69 -2.313 11.201 3.312 1.00 5.06 O ATOM 0 H GLY A 69 -5.838 10.113 3.094 1.00 3.64 H new ATOM 0 HA2 GLY A 69 -4.885 12.453 4.492 1.00 4.05 H new ATOM 0 HA3 GLY A 69 -4.377 10.788 4.693 1.00 4.05 H new ATOM 1098 N HIS A 70 -3.474 12.781 2.218 1.00 4.87 N ATOM 1099 CA HIS A 70 -2.418 13.086 1.276 1.00 5.68 C ATOM 1100 C HIS A 70 -1.470 14.123 1.866 1.00 6.44 C ATOM 1101 O HIS A 70 -1.880 15.249 2.158 1.00 6.88 O ATOM 1102 CB HIS A 70 -3.030 13.593 -0.033 1.00 5.88 C ATOM 1103 CG HIS A 70 -2.051 13.725 -1.153 1.00 5.93 C ATOM 1104 ND1 HIS A 70 -1.642 14.940 -1.650 1.00 6.60 N ATOM 1105 CD2 HIS A 70 -1.417 12.785 -1.891 1.00 5.65 C ATOM 1106 CE1 HIS A 70 -0.803 14.744 -2.647 1.00 6.67 C ATOM 1107 NE2 HIS A 70 -0.647 13.443 -2.815 1.00 6.10 N ATOM 0 H HIS A 70 -4.309 13.357 2.110 1.00 4.87 H new ATOM 0 HA HIS A 70 -1.846 12.182 1.069 1.00 5.68 H new ATOM 0 HB2 HIS A 70 -3.825 12.912 -0.338 1.00 5.88 H new ATOM 0 HB3 HIS A 70 -3.493 14.563 0.147 1.00 5.88 H new ATOM 0 HD2 HIS A 70 -1.502 11.715 -1.774 1.00 5.65 H new ATOM 0 HE1 HIS A 70 -0.323 15.517 -3.229 1.00 6.67 H new ATOM 0 HE2 HIS A 70 -0.052 13.001 -3.516 1.00 6.10 H new ATOM 1116 N SER A 71 -0.212 13.715 2.045 1.00 6.86 N ATOM 1117 CA SER A 71 0.830 14.554 2.643 1.00 7.78 C ATOM 1118 C SER A 71 0.608 14.701 4.148 1.00 8.28 C ATOM 1119 O SER A 71 -0.484 14.441 4.660 1.00 8.52 O ATOM 1120 CB SER A 71 0.894 15.930 1.968 1.00 8.22 C ATOM 1121 OG SER A 71 1.053 15.800 0.563 1.00 8.32 O ATOM 0 H SER A 71 0.115 12.787 1.777 1.00 6.86 H new ATOM 0 HA SER A 71 1.788 14.059 2.482 1.00 7.78 H new ATOM 0 HB2 SER A 71 -0.017 16.488 2.185 1.00 8.22 H new ATOM 0 HB3 SER A 71 1.725 16.503 2.380 1.00 8.22 H new ATOM 0 HG SER A 71 1.090 16.690 0.154 1.00 8.32 H new ATOM 1127 N GLU A 72 1.652 15.105 4.853 1.00 8.69 N ATOM 1128 CA GLU A 72 1.591 15.253 6.298 1.00 9.41 C ATOM 1129 C GLU A 72 1.929 16.685 6.689 1.00 10.13 C ATOM 1130 O GLU A 72 2.767 17.326 6.052 1.00 10.75 O ATOM 1131 CB GLU A 72 2.570 14.283 6.965 1.00 9.75 C ATOM 1132 CG GLU A 72 2.536 14.314 8.483 1.00 9.88 C ATOM 1133 CD GLU A 72 3.670 13.528 9.100 1.00 10.01 C ATOM 1134 OE1 GLU A 72 4.752 14.115 9.320 1.00 10.45 O ATOM 1135 OE2 GLU A 72 3.489 12.323 9.369 1.00 9.88 O ATOM 0 H GLU A 72 2.557 15.338 4.445 1.00 8.69 H new ATOM 0 HA GLU A 72 0.580 15.023 6.635 1.00 9.41 H new ATOM 0 HB2 GLU A 72 2.348 13.270 6.628 1.00 9.75 H new ATOM 0 HB3 GLU A 72 3.581 14.516 6.630 1.00 9.75 H new ATOM 0 HG2 GLU A 72 2.586 15.348 8.824 1.00 9.88 H new ATOM 0 HG3 GLU A 72 1.585 13.910 8.831 1.00 9.88 H new ATOM 1142 N GLY A 73 1.272 17.187 7.722 1.00 10.25 N ATOM 1143 CA GLY A 73 1.572 18.515 8.202 1.00 11.09 C ATOM 1144 C GLY A 73 0.375 19.438 8.145 1.00 11.37 C ATOM 1145 O GLY A 73 -0.766 19.004 8.325 1.00 11.62 O ATOM 0 H GLY A 73 0.538 16.698 8.235 1.00 10.25 H new ATOM 0 HA2 GLY A 73 1.930 18.454 9.230 1.00 11.09 H new ATOM 0 HA3 GLY A 73 2.381 18.938 7.607 1.00 11.09 H new ATOM 1149 N GLY A 74 0.640 20.712 7.907 1.00 11.55 N ATOM 1150 CA GLY A 74 -0.415 21.697 7.851 1.00 12.06 C ATOM 1151 C GLY A 74 0.133 23.098 7.993 1.00 12.56 C ATOM 1152 O GLY A 74 1.277 23.332 7.550 1.00 12.99 O ATOM 1153 OXT GLY A 74 -0.561 23.966 8.560 1.00 12.71 O ATOM 0 H GLY A 74 1.577 21.083 7.750 1.00 11.55 H new ATOM 0 HA2 GLY A 74 -0.949 21.607 6.905 1.00 12.06 H new ATOM 0 HA3 GLY A 74 -1.137 21.505 8.644 1.00 12.06 H new TER 1157 GLY A 74