USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 588 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 GLN : amide:sc= -2.81! C(o=-2.8!,f=-7.7!) USER MOD Single : A 6 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.0155) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 29:sc= 0.347 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0168 USER MOD Single : A 14 LYS NZ :NH3+ 140:sc= -0.0981 (180deg=-1.21) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.036) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -167:sc= -0.0353 (180deg=-0.285) USER MOD Single : A 28 LYS NZ :NH3+ 162:sc= -2.97! (180deg=-3.84!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.35 K(o=-1.4,f=-3.1!) USER MOD Single : A 35 SER OG : rot 180:sc= -0.107 USER MOD Single : A 38 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.025) USER MOD Single : A 40 MET CE :methyl -177:sc= 0 (180deg=-0.00426) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -149:sc= -0.612 (180deg=-1.91!) USER MOD Single : A 45 ASN :FLIP amide:sc= 1.02 F(o=-0.47,f=1) USER MOD Single : A 49 TYR OH : rot -34:sc= -2.29! USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.162 USER MOD Single : A 58 LYS NZ :NH3+ -109:sc= 0.825 (180deg=0.311) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.0132 K(o=-0.013,f=-0.72) USER MOD Single : A 63 ASN : amide:sc=-0.00286 X(o=-0.0029,f=-0.088) USER MOD Single : A 65 TYR OH : rot -151:sc= 0.501 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.264 X(o=-0.26,f=-0.29) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.142 USER MOD Single : A 71 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000114) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 3 7.127 -18.974 -10.758 1.00 0.00 N ATOM 2 CA GLN A 3 7.149 -19.289 -9.302 1.00 0.00 C ATOM 3 C GLN A 3 7.553 -18.051 -8.496 1.00 0.00 C ATOM 4 O GLN A 3 8.701 -17.650 -8.505 1.00 0.00 O ATOM 5 CB GLN A 3 8.194 -20.394 -9.153 1.00 0.00 C ATOM 6 CG GLN A 3 7.494 -21.750 -9.058 1.00 0.00 C ATOM 7 CD GLN A 3 6.526 -21.905 -10.234 1.00 0.00 C ATOM 8 OE1 GLN A 3 5.593 -21.141 -10.373 1.00 0.00 O ATOM 9 NE2 GLN A 3 6.712 -22.872 -11.090 1.00 0.00 N ATOM 0 HA GLN A 3 6.172 -19.600 -8.932 1.00 0.00 H new ATOM 0 HB2 GLN A 3 8.874 -20.383 -10.005 1.00 0.00 H new ATOM 0 HB3 GLN A 3 8.797 -20.221 -8.262 1.00 0.00 H new ATOM 0 HG2 GLN A 3 8.230 -22.554 -9.070 1.00 0.00 H new ATOM 0 HG3 GLN A 3 6.953 -21.827 -8.115 1.00 0.00 H new ATOM 0 HE21 GLN A 3 7.496 -23.513 -10.972 1.00 0.00 H new ATOM 0 HE22 GLN A 3 6.073 -22.986 -11.877 1.00 0.00 H new ATOM 20 N PRO A 4 6.588 -17.487 -7.820 1.00 0.00 N ATOM 21 CA PRO A 4 6.839 -16.281 -6.995 1.00 0.00 C ATOM 22 C PRO A 4 7.617 -16.654 -5.730 1.00 0.00 C ATOM 23 O PRO A 4 7.392 -17.689 -5.134 1.00 0.00 O ATOM 24 CB PRO A 4 5.436 -15.791 -6.645 1.00 0.00 C ATOM 25 CG PRO A 4 4.567 -17.005 -6.737 1.00 0.00 C ATOM 26 CD PRO A 4 5.189 -17.919 -7.763 1.00 0.00 C ATOM 0 HA PRO A 4 7.435 -15.525 -7.507 1.00 0.00 H new ATOM 0 HB2 PRO A 4 5.407 -15.360 -5.644 1.00 0.00 H new ATOM 0 HB3 PRO A 4 5.105 -15.016 -7.336 1.00 0.00 H new ATOM 0 HG2 PRO A 4 4.497 -17.503 -5.770 1.00 0.00 H new ATOM 0 HG3 PRO A 4 3.553 -16.732 -7.029 1.00 0.00 H new ATOM 0 HD2 PRO A 4 5.106 -18.965 -7.468 1.00 0.00 H new ATOM 0 HD3 PRO A 4 4.701 -17.821 -8.733 1.00 0.00 H new ATOM 34 N ALA A 5 8.530 -15.818 -5.312 1.00 0.00 N ATOM 35 CA ALA A 5 9.317 -16.128 -4.085 1.00 0.00 C ATOM 36 C ALA A 5 9.164 -15.001 -3.060 1.00 0.00 C ATOM 37 O ALA A 5 8.407 -14.071 -3.255 1.00 0.00 O ATOM 38 CB ALA A 5 10.768 -16.229 -4.558 1.00 0.00 C ATOM 0 H ALA A 5 8.764 -14.936 -5.767 1.00 0.00 H new ATOM 0 HA ALA A 5 8.982 -17.045 -3.601 1.00 0.00 H new ATOM 0 HB1 ALA A 5 11.413 -16.456 -3.709 1.00 0.00 H new ATOM 0 HB2 ALA A 5 10.854 -17.022 -5.301 1.00 0.00 H new ATOM 0 HB3 ALA A 5 11.073 -15.281 -5.002 1.00 0.00 H new ATOM 44 N LYS A 6 9.878 -15.075 -1.970 1.00 0.00 N ATOM 45 CA LYS A 6 9.771 -14.008 -0.935 1.00 0.00 C ATOM 46 C LYS A 6 10.867 -12.959 -1.142 1.00 0.00 C ATOM 47 O LYS A 6 11.657 -12.691 -0.259 1.00 0.00 O ATOM 48 CB LYS A 6 9.962 -14.729 0.398 1.00 0.00 C ATOM 49 CG LYS A 6 8.706 -15.538 0.725 1.00 0.00 C ATOM 50 CD LYS A 6 8.996 -17.028 0.541 1.00 0.00 C ATOM 51 CE LYS A 6 8.015 -17.846 1.384 1.00 0.00 C ATOM 52 NZ LYS A 6 8.626 -17.900 2.740 1.00 0.00 N ATOM 0 H LYS A 6 10.531 -15.828 -1.752 1.00 0.00 H new ATOM 0 HA LYS A 6 8.817 -13.482 -0.980 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.829 -15.388 0.346 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.158 -14.006 1.190 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.391 -15.342 1.750 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.885 -15.234 0.076 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.904 -17.300 -0.510 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.021 -17.250 0.839 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.032 -17.376 1.412 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.879 -18.846 0.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.888 -18.099 3.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.343 -18.652 2.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.074 -16.987 2.956 1.00 0.00 H new ATOM 66 N LYS A 7 10.919 -12.364 -2.302 1.00 0.00 N ATOM 67 CA LYS A 7 11.964 -11.332 -2.565 1.00 0.00 C ATOM 68 C LYS A 7 11.596 -10.020 -1.868 1.00 0.00 C ATOM 69 O LYS A 7 10.452 -9.614 -1.855 1.00 0.00 O ATOM 70 CB LYS A 7 11.968 -11.152 -4.084 1.00 0.00 C ATOM 71 CG LYS A 7 13.389 -10.845 -4.560 1.00 0.00 C ATOM 72 CD LYS A 7 14.154 -12.154 -4.771 1.00 0.00 C ATOM 73 CE LYS A 7 15.188 -12.332 -3.655 1.00 0.00 C ATOM 74 NZ LYS A 7 15.507 -13.787 -3.652 1.00 0.00 N ATOM 0 H LYS A 7 10.284 -12.547 -3.079 1.00 0.00 H new ATOM 0 HA LYS A 7 12.943 -11.628 -2.188 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.599 -12.056 -4.569 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.296 -10.342 -4.366 1.00 0.00 H new ATOM 0 HG2 LYS A 7 13.357 -10.277 -5.490 1.00 0.00 H new ATOM 0 HG3 LYS A 7 13.904 -10.226 -3.825 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.461 -12.995 -4.775 1.00 0.00 H new ATOM 0 HD3 LYS A 7 14.650 -12.144 -5.742 1.00 0.00 H new ATOM 0 HE2 LYS A 7 16.079 -11.733 -3.844 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.788 -12.014 -2.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 16.210 -13.987 -2.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.641 -14.332 -3.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 15.892 -14.060 -4.579 1.00 0.00 H new ATOM 88 N THR A 8 12.557 -9.356 -1.286 1.00 0.00 N ATOM 89 CA THR A 8 12.259 -8.071 -0.588 1.00 0.00 C ATOM 90 C THR A 8 12.566 -6.882 -1.502 1.00 0.00 C ATOM 91 O THR A 8 13.655 -6.751 -2.023 1.00 0.00 O ATOM 92 CB THR A 8 13.184 -8.058 0.631 1.00 0.00 C ATOM 93 OG1 THR A 8 12.882 -9.167 1.466 1.00 0.00 O ATOM 94 CG2 THR A 8 12.987 -6.758 1.414 1.00 0.00 C ATOM 0 H THR A 8 13.535 -9.646 -1.263 1.00 0.00 H new ATOM 0 HA THR A 8 11.209 -7.992 -0.308 1.00 0.00 H new ATOM 0 HB THR A 8 14.220 -8.124 0.299 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.475 -9.160 2.246 1.00 0.00 H new ATOM 0 HG21 THR A 8 13.647 -6.752 2.281 1.00 0.00 H new ATOM 0 HG22 THR A 8 13.222 -5.908 0.773 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.951 -6.687 1.746 1.00 0.00 H new ATOM 102 N TYR A 9 11.615 -6.010 -1.692 1.00 0.00 N ATOM 103 CA TYR A 9 11.853 -4.823 -2.564 1.00 0.00 C ATOM 104 C TYR A 9 12.672 -3.775 -1.806 1.00 0.00 C ATOM 105 O TYR A 9 12.791 -3.823 -0.598 1.00 0.00 O ATOM 106 CB TYR A 9 10.468 -4.270 -2.870 1.00 0.00 C ATOM 107 CG TYR A 9 9.862 -4.985 -4.052 1.00 0.00 C ATOM 108 CD1 TYR A 9 10.148 -6.335 -4.285 1.00 0.00 C ATOM 109 CD2 TYR A 9 9.005 -4.290 -4.915 1.00 0.00 C ATOM 110 CE1 TYR A 9 9.577 -6.989 -5.384 1.00 0.00 C ATOM 111 CE2 TYR A 9 8.435 -4.943 -6.012 1.00 0.00 C ATOM 112 CZ TYR A 9 8.721 -6.294 -6.248 1.00 0.00 C ATOM 113 OH TYR A 9 8.159 -6.938 -7.331 1.00 0.00 O ATOM 0 H TYR A 9 10.683 -6.067 -1.282 1.00 0.00 H new ATOM 0 HA TYR A 9 12.403 -5.083 -3.469 1.00 0.00 H new ATOM 0 HB2 TYR A 9 9.823 -4.385 -1.999 1.00 0.00 H new ATOM 0 HB3 TYR A 9 10.534 -3.202 -3.079 1.00 0.00 H new ATOM 0 HD1 TYR A 9 10.808 -6.871 -3.619 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.784 -3.249 -4.733 1.00 0.00 H new ATOM 0 HE1 TYR A 9 9.797 -8.031 -5.566 1.00 0.00 H new ATOM 0 HE2 TYR A 9 7.775 -4.406 -6.677 1.00 0.00 H new ATOM 0 HH TYR A 9 7.590 -6.311 -7.825 1.00 0.00 H new ATOM 123 N THR A 10 13.229 -2.823 -2.502 1.00 0.00 N ATOM 124 CA THR A 10 14.031 -1.774 -1.811 1.00 0.00 C ATOM 125 C THR A 10 13.594 -0.379 -2.269 1.00 0.00 C ATOM 126 O THR A 10 13.461 -0.114 -3.447 1.00 0.00 O ATOM 127 CB THR A 10 15.476 -2.056 -2.217 1.00 0.00 C ATOM 128 OG1 THR A 10 15.600 -1.956 -3.630 1.00 0.00 O ATOM 129 CG2 THR A 10 15.855 -3.467 -1.766 1.00 0.00 C ATOM 0 H THR A 10 13.164 -2.726 -3.515 1.00 0.00 H new ATOM 0 HA THR A 10 13.902 -1.797 -0.729 1.00 0.00 H new ATOM 0 HB THR A 10 16.140 -1.331 -1.747 1.00 0.00 H new ATOM 0 HG1 THR A 10 14.933 -1.325 -3.973 1.00 0.00 H new ATOM 0 HG21 THR A 10 16.886 -3.676 -2.052 1.00 0.00 H new ATOM 0 HG22 THR A 10 15.757 -3.541 -0.683 1.00 0.00 H new ATOM 0 HG23 THR A 10 15.193 -4.191 -2.241 1.00 0.00 H new ATOM 137 N TRP A 11 13.370 0.516 -1.342 1.00 0.00 N ATOM 138 CA TRP A 11 12.940 1.893 -1.721 1.00 0.00 C ATOM 139 C TRP A 11 13.925 2.925 -1.166 1.00 0.00 C ATOM 140 O TRP A 11 14.303 2.879 -0.013 1.00 0.00 O ATOM 141 CB TRP A 11 11.563 2.071 -1.081 1.00 0.00 C ATOM 142 CG TRP A 11 10.527 1.429 -1.941 1.00 0.00 C ATOM 143 CD1 TRP A 11 9.896 2.030 -2.975 1.00 0.00 C ATOM 144 CD2 TRP A 11 9.992 0.078 -1.861 1.00 0.00 C ATOM 145 NE1 TRP A 11 8.999 1.135 -3.528 1.00 0.00 N ATOM 146 CE2 TRP A 11 9.026 -0.082 -2.881 1.00 0.00 C ATOM 147 CE3 TRP A 11 10.247 -1.011 -1.013 1.00 0.00 C ATOM 148 CZ2 TRP A 11 8.338 -1.282 -3.052 1.00 0.00 C ATOM 149 CZ3 TRP A 11 9.557 -2.219 -1.184 1.00 0.00 C ATOM 150 CH2 TRP A 11 8.605 -2.353 -2.202 1.00 0.00 C ATOM 0 H TRP A 11 13.466 0.352 -0.340 1.00 0.00 H new ATOM 0 HA TRP A 11 12.908 2.031 -2.802 1.00 0.00 H new ATOM 0 HB2 TRP A 11 11.552 1.625 -0.086 1.00 0.00 H new ATOM 0 HB3 TRP A 11 11.342 3.131 -0.957 1.00 0.00 H new ATOM 0 HD1 TRP A 11 10.065 3.042 -3.313 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.391 1.349 -4.319 1.00 0.00 H new ATOM 0 HE3 TRP A 11 10.979 -0.918 -0.224 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 7.603 -1.381 -3.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 9.761 -3.051 -0.527 1.00 0.00 H new ATOM 0 HH2 TRP A 11 8.078 -3.287 -2.328 1.00 0.00 H new ATOM 161 N ASN A 12 14.341 3.857 -1.981 1.00 0.00 N ATOM 162 CA ASN A 12 15.300 4.895 -1.502 1.00 0.00 C ATOM 163 C ASN A 12 14.570 6.220 -1.266 1.00 0.00 C ATOM 164 O ASN A 12 14.966 7.020 -0.441 1.00 0.00 O ATOM 165 CB ASN A 12 16.323 5.042 -2.629 1.00 0.00 C ATOM 166 CG ASN A 12 17.692 5.373 -2.035 1.00 0.00 C ATOM 167 OD1 ASN A 12 18.053 6.526 -1.916 1.00 0.00 O ATOM 168 ND2 ASN A 12 18.475 4.402 -1.653 1.00 0.00 N ATOM 0 H ASN A 12 14.059 3.945 -2.957 1.00 0.00 H new ATOM 0 HA ASN A 12 15.770 4.617 -0.559 1.00 0.00 H new ATOM 0 HB2 ASN A 12 16.379 4.119 -3.206 1.00 0.00 H new ATOM 0 HB3 ASN A 12 16.013 5.830 -3.316 1.00 0.00 H new ATOM 0 HD21 ASN A 12 19.390 4.612 -1.254 1.00 0.00 H new ATOM 0 HD22 ASN A 12 18.172 3.433 -1.753 1.00 0.00 H new ATOM 175 N THR A 13 13.507 6.458 -1.983 1.00 0.00 N ATOM 176 CA THR A 13 12.753 7.731 -1.799 1.00 0.00 C ATOM 177 C THR A 13 11.341 7.440 -1.282 1.00 0.00 C ATOM 178 O THR A 13 10.769 6.405 -1.563 1.00 0.00 O ATOM 179 CB THR A 13 12.698 8.362 -3.192 1.00 0.00 C ATOM 180 OG1 THR A 13 11.733 9.404 -3.200 1.00 0.00 O ATOM 181 CG2 THR A 13 12.312 7.298 -4.220 1.00 0.00 C ATOM 0 H THR A 13 13.127 5.827 -2.688 1.00 0.00 H new ATOM 0 HA THR A 13 13.226 8.391 -1.071 1.00 0.00 H new ATOM 0 HB THR A 13 13.676 8.771 -3.446 1.00 0.00 H new ATOM 0 HG1 THR A 13 11.698 9.810 -4.091 1.00 0.00 H new ATOM 0 HG21 THR A 13 12.273 7.748 -5.212 1.00 0.00 H new ATOM 0 HG22 THR A 13 13.054 6.499 -4.213 1.00 0.00 H new ATOM 0 HG23 THR A 13 11.334 6.887 -3.969 1.00 0.00 H new ATOM 189 N LYS A 14 10.777 8.343 -0.527 1.00 0.00 N ATOM 190 CA LYS A 14 9.403 8.114 0.007 1.00 0.00 C ATOM 191 C LYS A 14 8.394 8.047 -1.142 1.00 0.00 C ATOM 192 O LYS A 14 7.350 7.435 -1.029 1.00 0.00 O ATOM 193 CB LYS A 14 9.119 9.319 0.904 1.00 0.00 C ATOM 194 CG LYS A 14 8.947 8.851 2.350 1.00 0.00 C ATOM 195 CD LYS A 14 7.930 7.709 2.401 1.00 0.00 C ATOM 196 CE LYS A 14 8.612 6.441 2.916 1.00 0.00 C ATOM 197 NZ LYS A 14 9.060 6.782 4.295 1.00 0.00 N ATOM 0 H LYS A 14 11.207 9.228 -0.257 1.00 0.00 H new ATOM 0 HA LYS A 14 9.323 7.174 0.553 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.938 10.036 0.838 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.218 9.832 0.567 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.904 8.518 2.751 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.611 9.679 2.974 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.098 7.977 3.052 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.514 7.534 1.409 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.923 5.596 2.922 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.455 6.161 2.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.900 5.969 4.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.073 7.016 4.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.520 7.600 4.643 1.00 0.00 H new ATOM 211 N GLU A 15 8.696 8.670 -2.249 1.00 0.00 N ATOM 212 CA GLU A 15 7.751 8.637 -3.402 1.00 0.00 C ATOM 213 C GLU A 15 7.642 7.215 -3.947 1.00 0.00 C ATOM 214 O GLU A 15 6.562 6.702 -4.163 1.00 0.00 O ATOM 215 CB GLU A 15 8.366 9.566 -4.451 1.00 0.00 C ATOM 216 CG GLU A 15 7.727 9.290 -5.816 1.00 0.00 C ATOM 217 CD GLU A 15 7.838 10.537 -6.694 1.00 0.00 C ATOM 218 OE1 GLU A 15 7.142 11.500 -6.413 1.00 0.00 O ATOM 219 OE2 GLU A 15 8.617 10.510 -7.633 1.00 0.00 O ATOM 0 H GLU A 15 9.554 9.199 -2.405 1.00 0.00 H new ATOM 0 HA GLU A 15 6.746 8.952 -3.121 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.208 10.607 -4.168 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.443 9.410 -4.504 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.224 8.448 -6.298 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.680 9.013 -5.690 1.00 0.00 H new ATOM 226 N GLU A 16 8.753 6.576 -4.168 1.00 0.00 N ATOM 227 CA GLU A 16 8.720 5.185 -4.700 1.00 0.00 C ATOM 228 C GLU A 16 8.076 4.252 -3.676 1.00 0.00 C ATOM 229 O GLU A 16 7.225 3.448 -4.000 1.00 0.00 O ATOM 230 CB GLU A 16 10.185 4.810 -4.925 1.00 0.00 C ATOM 231 CG GLU A 16 10.773 5.690 -6.030 1.00 0.00 C ATOM 232 CD GLU A 16 10.322 5.169 -7.395 1.00 0.00 C ATOM 233 OE1 GLU A 16 9.153 5.324 -7.709 1.00 0.00 O ATOM 234 OE2 GLU A 16 11.153 4.627 -8.104 1.00 0.00 O ATOM 0 H GLU A 16 9.685 6.956 -4.004 1.00 0.00 H new ATOM 0 HA GLU A 16 8.137 5.104 -5.618 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.751 4.940 -4.002 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.264 3.759 -5.202 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.449 6.722 -5.898 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.861 5.688 -5.970 1.00 0.00 H new ATOM 241 N ALA A 17 8.472 4.360 -2.441 1.00 0.00 N ATOM 242 CA ALA A 17 7.878 3.485 -1.392 1.00 0.00 C ATOM 243 C ALA A 17 6.370 3.731 -1.309 1.00 0.00 C ATOM 244 O ALA A 17 5.574 2.808 -1.307 1.00 0.00 O ATOM 245 CB ALA A 17 8.566 3.908 -0.095 1.00 0.00 C ATOM 0 H ALA A 17 9.181 5.015 -2.111 1.00 0.00 H new ATOM 0 HA ALA A 17 8.019 2.424 -1.598 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.184 3.309 0.732 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.641 3.755 -0.187 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.364 4.962 0.097 1.00 0.00 H new ATOM 251 N LYS A 18 5.968 4.972 -1.266 1.00 0.00 N ATOM 252 CA LYS A 18 4.512 5.279 -1.204 1.00 0.00 C ATOM 253 C LYS A 18 3.847 4.836 -2.505 1.00 0.00 C ATOM 254 O LYS A 18 2.741 4.335 -2.512 1.00 0.00 O ATOM 255 CB LYS A 18 4.431 6.798 -1.048 1.00 0.00 C ATOM 256 CG LYS A 18 3.171 7.166 -0.262 1.00 0.00 C ATOM 257 CD LYS A 18 2.840 8.642 -0.485 1.00 0.00 C ATOM 258 CE LYS A 18 1.843 8.774 -1.639 1.00 0.00 C ATOM 259 NZ LYS A 18 0.512 8.914 -0.984 1.00 0.00 N ATOM 0 H LYS A 18 6.584 5.785 -1.271 1.00 0.00 H new ATOM 0 HA LYS A 18 4.007 4.765 -0.386 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.316 7.168 -0.530 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.412 7.274 -2.028 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.336 6.543 -0.582 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.323 6.974 0.800 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.419 9.072 0.424 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.749 9.199 -0.711 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.070 9.640 -2.260 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.873 7.899 -2.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.225 9.009 -1.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.320 8.072 -0.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.511 9.759 -0.377 1.00 0.00 H new ATOM 273 N GLN A 19 4.524 5.010 -3.608 1.00 0.00 N ATOM 274 CA GLN A 19 3.943 4.591 -4.911 1.00 0.00 C ATOM 275 C GLN A 19 3.797 3.069 -4.945 1.00 0.00 C ATOM 276 O GLN A 19 2.809 2.545 -5.418 1.00 0.00 O ATOM 277 CB GLN A 19 4.942 5.061 -5.967 1.00 0.00 C ATOM 278 CG GLN A 19 4.251 5.122 -7.332 1.00 0.00 C ATOM 279 CD GLN A 19 5.285 4.896 -8.435 1.00 0.00 C ATOM 280 OE1 GLN A 19 5.411 5.698 -9.340 1.00 0.00 O ATOM 281 NE2 GLN A 19 6.032 3.829 -8.399 1.00 0.00 N ATOM 0 H GLN A 19 5.454 5.425 -3.661 1.00 0.00 H new ATOM 0 HA GLN A 19 2.953 5.014 -5.081 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.333 6.043 -5.701 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.792 4.380 -6.008 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.469 4.365 -7.390 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.768 6.090 -7.464 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.925 3.157 -7.639 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.724 3.666 -9.131 1.00 0.00 H new ATOM 290 N ALA A 20 4.764 2.352 -4.436 1.00 0.00 N ATOM 291 CA ALA A 20 4.653 0.867 -4.436 1.00 0.00 C ATOM 292 C ALA A 20 3.505 0.450 -3.517 1.00 0.00 C ATOM 293 O ALA A 20 2.833 -0.534 -3.751 1.00 0.00 O ATOM 294 CB ALA A 20 5.993 0.346 -3.909 1.00 0.00 C ATOM 0 H ALA A 20 5.618 2.728 -4.024 1.00 0.00 H new ATOM 0 HA ALA A 20 4.445 0.464 -5.427 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.976 -0.744 -3.885 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.797 0.681 -4.564 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.162 0.729 -2.902 1.00 0.00 H new ATOM 300 N PHE A 21 3.272 1.199 -2.472 1.00 0.00 N ATOM 301 CA PHE A 21 2.162 0.850 -1.541 1.00 0.00 C ATOM 302 C PHE A 21 0.804 1.089 -2.211 1.00 0.00 C ATOM 303 O PHE A 21 -0.086 0.260 -2.149 1.00 0.00 O ATOM 304 CB PHE A 21 2.332 1.780 -0.343 1.00 0.00 C ATOM 305 CG PHE A 21 1.477 1.275 0.792 1.00 0.00 C ATOM 306 CD1 PHE A 21 0.130 1.643 0.865 1.00 0.00 C ATOM 307 CD2 PHE A 21 2.029 0.431 1.765 1.00 0.00 C ATOM 308 CE1 PHE A 21 -0.668 1.170 1.911 1.00 0.00 C ATOM 309 CE2 PHE A 21 1.230 -0.042 2.812 1.00 0.00 C ATOM 310 CZ PHE A 21 -0.118 0.328 2.884 1.00 0.00 C ATOM 0 H PHE A 21 3.801 2.035 -2.224 1.00 0.00 H new ATOM 0 HA PHE A 21 2.193 -0.200 -1.250 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.378 1.817 -0.040 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.042 2.796 -0.610 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.294 2.293 0.113 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.069 0.146 1.707 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.708 1.454 1.968 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.653 -0.692 3.564 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.735 -0.037 3.692 1.00 0.00 H new ATOM 320 N LYS A 22 0.633 2.202 -2.873 1.00 0.00 N ATOM 321 CA LYS A 22 -0.663 2.451 -3.549 1.00 0.00 C ATOM 322 C LYS A 22 -0.737 1.531 -4.771 1.00 0.00 C ATOM 323 O LYS A 22 -1.744 0.902 -5.032 1.00 0.00 O ATOM 324 CB LYS A 22 -0.636 3.948 -3.915 1.00 0.00 C ATOM 325 CG LYS A 22 -0.817 4.140 -5.420 1.00 0.00 C ATOM 326 CD LYS A 22 -0.940 5.632 -5.741 1.00 0.00 C ATOM 327 CE LYS A 22 0.386 6.146 -6.302 1.00 0.00 C ATOM 328 NZ LYS A 22 0.297 7.629 -6.200 1.00 0.00 N ATOM 0 H LYS A 22 1.330 2.940 -2.972 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.544 2.239 -2.943 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.427 4.473 -3.379 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.310 4.388 -3.599 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.031 3.712 -5.955 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.708 3.611 -5.759 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.740 5.794 -6.464 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.206 6.187 -4.841 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.232 5.761 -5.732 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.527 5.829 -7.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.172 8.055 -6.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.513 7.967 -6.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.170 7.901 -5.204 1.00 0.00 H new ATOM 342 N GLU A 23 0.345 1.420 -5.498 1.00 0.00 N ATOM 343 CA GLU A 23 0.360 0.509 -6.673 1.00 0.00 C ATOM 344 C GLU A 23 0.092 -0.909 -6.174 1.00 0.00 C ATOM 345 O GLU A 23 -0.523 -1.717 -6.840 1.00 0.00 O ATOM 346 CB GLU A 23 1.771 0.628 -7.256 1.00 0.00 C ATOM 347 CG GLU A 23 1.813 -0.026 -8.638 1.00 0.00 C ATOM 348 CD GLU A 23 1.286 0.957 -9.684 1.00 0.00 C ATOM 349 OE1 GLU A 23 0.430 1.755 -9.340 1.00 0.00 O ATOM 350 OE2 GLU A 23 1.747 0.895 -10.813 1.00 0.00 O ATOM 0 H GLU A 23 1.216 1.922 -5.326 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.391 0.752 -7.425 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.057 1.677 -7.330 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.491 0.147 -6.593 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.834 -0.320 -8.882 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.210 -0.934 -8.641 1.00 0.00 H new ATOM 357 N LEU A 24 0.535 -1.198 -4.978 1.00 0.00 N ATOM 358 CA LEU A 24 0.296 -2.543 -4.388 1.00 0.00 C ATOM 359 C LEU A 24 -1.211 -2.741 -4.225 1.00 0.00 C ATOM 360 O LEU A 24 -1.761 -3.753 -4.612 1.00 0.00 O ATOM 361 CB LEU A 24 1.004 -2.495 -3.031 1.00 0.00 C ATOM 362 CG LEU A 24 0.695 -3.754 -2.221 1.00 0.00 C ATOM 363 CD1 LEU A 24 0.962 -4.993 -3.075 1.00 0.00 C ATOM 364 CD2 LEU A 24 1.598 -3.785 -0.984 1.00 0.00 C ATOM 0 H LEU A 24 1.055 -0.553 -4.383 1.00 0.00 H new ATOM 0 HA LEU A 24 0.667 -3.367 -4.998 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.080 -2.406 -3.179 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.684 -1.612 -2.478 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.352 -3.746 -1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.741 -5.889 -2.495 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.327 -4.968 -3.961 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.009 -5.007 -3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.384 -4.680 -0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.642 -3.796 -1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.411 -2.901 -0.375 1.00 0.00 H new ATOM 376 N LEU A 25 -1.889 -1.766 -3.679 1.00 0.00 N ATOM 377 CA LEU A 25 -3.367 -1.891 -3.521 1.00 0.00 C ATOM 378 C LEU A 25 -4.020 -2.074 -4.896 1.00 0.00 C ATOM 379 O LEU A 25 -4.941 -2.852 -5.059 1.00 0.00 O ATOM 380 CB LEU A 25 -3.817 -0.576 -2.884 1.00 0.00 C ATOM 381 CG LEU A 25 -3.809 -0.712 -1.362 1.00 0.00 C ATOM 382 CD1 LEU A 25 -2.950 0.395 -0.752 1.00 0.00 C ATOM 383 CD2 LEU A 25 -5.239 -0.588 -0.835 1.00 0.00 C ATOM 0 H LEU A 25 -1.486 -0.894 -3.338 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.649 -2.749 -2.911 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.154 0.233 -3.190 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.817 -0.317 -3.230 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.398 -1.684 -1.088 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.946 0.296 0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.930 0.313 -1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.361 1.367 -1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.236 -0.685 0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.646 0.385 -1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.856 -1.376 -1.268 1.00 0.00 H new ATOM 395 N LYS A 26 -3.544 -1.367 -5.890 1.00 0.00 N ATOM 396 CA LYS A 26 -4.132 -1.511 -7.255 1.00 0.00 C ATOM 397 C LYS A 26 -3.951 -2.948 -7.741 1.00 0.00 C ATOM 398 O LYS A 26 -4.866 -3.561 -8.253 1.00 0.00 O ATOM 399 CB LYS A 26 -3.339 -0.543 -8.135 1.00 0.00 C ATOM 400 CG LYS A 26 -4.162 -0.185 -9.375 1.00 0.00 C ATOM 401 CD LYS A 26 -3.382 -0.567 -10.636 1.00 0.00 C ATOM 402 CE LYS A 26 -2.779 0.691 -11.267 1.00 0.00 C ATOM 403 NZ LYS A 26 -1.356 0.341 -11.538 1.00 0.00 N ATOM 0 H LYS A 26 -2.777 -0.699 -5.815 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.200 -1.292 -7.277 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.097 0.359 -7.574 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.394 -0.997 -8.432 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.118 -0.709 -9.353 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.384 0.882 -9.381 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.592 -1.276 -10.387 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.042 -1.063 -11.348 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.301 0.961 -12.185 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.854 1.545 -10.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.823 1.205 -11.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.944 -0.112 -10.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.307 -0.315 -12.344 1.00 0.00 H new ATOM 417 N GLU A 27 -2.781 -3.497 -7.565 1.00 0.00 N ATOM 418 CA GLU A 27 -2.553 -4.901 -7.998 1.00 0.00 C ATOM 419 C GLU A 27 -3.426 -5.825 -7.151 1.00 0.00 C ATOM 420 O GLU A 27 -3.829 -6.888 -7.578 1.00 0.00 O ATOM 421 CB GLU A 27 -1.068 -5.160 -7.740 1.00 0.00 C ATOM 422 CG GLU A 27 -0.454 -5.864 -8.953 1.00 0.00 C ATOM 423 CD GLU A 27 1.030 -5.509 -9.053 1.00 0.00 C ATOM 424 OE1 GLU A 27 1.326 -4.363 -9.344 1.00 0.00 O ATOM 425 OE2 GLU A 27 1.845 -6.391 -8.836 1.00 0.00 O ATOM 0 H GLU A 27 -1.976 -3.035 -7.141 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.807 -5.076 -9.043 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.551 -4.219 -7.552 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.945 -5.775 -6.848 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.575 -6.943 -8.860 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.973 -5.562 -9.863 1.00 0.00 H new ATOM 432 N LYS A 28 -3.734 -5.409 -5.953 1.00 0.00 N ATOM 433 CA LYS A 28 -4.599 -6.239 -5.069 1.00 0.00 C ATOM 434 C LYS A 28 -6.072 -5.943 -5.361 1.00 0.00 C ATOM 435 O LYS A 28 -6.961 -6.443 -4.701 1.00 0.00 O ATOM 436 CB LYS A 28 -4.241 -5.808 -3.646 1.00 0.00 C ATOM 437 CG LYS A 28 -3.118 -6.693 -3.107 1.00 0.00 C ATOM 438 CD LYS A 28 -1.786 -6.272 -3.727 1.00 0.00 C ATOM 439 CE LYS A 28 -0.884 -7.499 -3.887 1.00 0.00 C ATOM 440 NZ LYS A 28 -0.785 -8.089 -2.523 1.00 0.00 N ATOM 0 H LYS A 28 -3.422 -4.527 -5.547 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.446 -7.308 -5.220 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.929 -4.764 -3.640 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.117 -5.883 -3.002 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.067 -6.611 -2.021 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.323 -7.738 -3.338 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.956 -5.804 -4.697 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.298 -5.529 -3.096 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.309 -8.211 -4.594 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.098 -7.219 -4.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.453 -9.072 -2.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.113 -7.536 -1.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.720 -8.071 -2.068 1.00 0.00 H new ATOM 454 N ARG A 29 -6.335 -5.132 -6.350 1.00 0.00 N ATOM 455 CA ARG A 29 -7.745 -4.798 -6.691 1.00 0.00 C ATOM 456 C ARG A 29 -8.519 -4.389 -5.434 1.00 0.00 C ATOM 457 O ARG A 29 -9.683 -4.700 -5.283 1.00 0.00 O ATOM 458 CB ARG A 29 -8.317 -6.086 -7.283 1.00 0.00 C ATOM 459 CG ARG A 29 -7.762 -6.291 -8.694 1.00 0.00 C ATOM 460 CD ARG A 29 -8.862 -6.837 -9.605 1.00 0.00 C ATOM 461 NE ARG A 29 -8.147 -7.359 -10.802 1.00 0.00 N ATOM 462 CZ ARG A 29 -8.753 -8.172 -11.624 1.00 0.00 C ATOM 463 NH1 ARG A 29 -9.889 -7.827 -12.166 1.00 0.00 N ATOM 464 NH2 ARG A 29 -8.222 -9.331 -11.905 1.00 0.00 N ATOM 0 H ARG A 29 -5.631 -4.686 -6.938 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.816 -3.960 -7.385 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -8.057 -6.936 -6.652 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.405 -6.033 -7.313 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.385 -5.347 -9.088 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.921 -6.984 -8.667 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.430 -7.625 -9.110 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.572 -6.056 -9.878 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.182 -7.081 -10.980 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.304 -6.921 -11.947 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.362 -8.463 -12.808 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.334 -9.601 -11.482 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.695 -9.967 -12.547 1.00 0.00 H new ATOM 478 N VAL A 30 -7.883 -3.690 -4.531 1.00 0.00 N ATOM 479 CA VAL A 30 -8.592 -3.261 -3.289 1.00 0.00 C ATOM 480 C VAL A 30 -9.708 -2.270 -3.638 1.00 0.00 C ATOM 481 O VAL A 30 -9.491 -1.327 -4.374 1.00 0.00 O ATOM 482 CB VAL A 30 -7.526 -2.580 -2.430 1.00 0.00 C ATOM 483 CG1 VAL A 30 -8.174 -2.028 -1.157 1.00 0.00 C ATOM 484 CG2 VAL A 30 -6.448 -3.593 -2.049 1.00 0.00 C ATOM 0 H VAL A 30 -6.908 -3.399 -4.599 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.055 -4.100 -2.770 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.074 -1.765 -2.995 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.415 -1.542 -0.544 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.943 -1.303 -1.425 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.626 -2.845 -0.595 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.690 -3.105 -1.437 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.899 -4.409 -1.485 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.985 -3.989 -2.953 1.00 0.00 H new ATOM 494 N PRO A 31 -10.868 -2.515 -3.096 1.00 0.00 N ATOM 495 CA PRO A 31 -12.027 -1.628 -3.354 1.00 0.00 C ATOM 496 C PRO A 31 -11.865 -0.316 -2.584 1.00 0.00 C ATOM 497 O PRO A 31 -11.071 -0.215 -1.670 1.00 0.00 O ATOM 498 CB PRO A 31 -13.213 -2.420 -2.818 1.00 0.00 C ATOM 499 CG PRO A 31 -12.632 -3.330 -1.785 1.00 0.00 C ATOM 500 CD PRO A 31 -11.212 -3.626 -2.202 1.00 0.00 C ATOM 0 HA PRO A 31 -12.139 -1.362 -4.405 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -13.965 -1.761 -2.385 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.702 -2.985 -3.612 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -12.655 -2.860 -0.802 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.212 -4.250 -1.712 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.544 -3.668 -1.342 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.137 -4.587 -2.712 1.00 0.00 H new ATOM 508 N SER A 32 -12.613 0.688 -2.941 1.00 0.00 N ATOM 509 CA SER A 32 -12.506 1.989 -2.226 1.00 0.00 C ATOM 510 C SER A 32 -13.187 1.892 -0.857 1.00 0.00 C ATOM 511 O SER A 32 -13.098 2.790 -0.043 1.00 0.00 O ATOM 512 CB SER A 32 -13.232 2.994 -3.120 1.00 0.00 C ATOM 513 OG SER A 32 -14.132 3.764 -2.333 1.00 0.00 O ATOM 0 H SER A 32 -13.296 0.664 -3.699 1.00 0.00 H new ATOM 0 HA SER A 32 -11.471 2.281 -2.047 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.511 3.647 -3.611 1.00 0.00 H new ATOM 0 HB3 SER A 32 -13.776 2.471 -3.907 1.00 0.00 H new ATOM 0 HG SER A 32 -14.597 4.410 -2.905 1.00 0.00 H new ATOM 519 N ASN A 33 -13.869 0.808 -0.599 1.00 0.00 N ATOM 520 CA ASN A 33 -14.559 0.655 0.715 1.00 0.00 C ATOM 521 C ASN A 33 -13.881 -0.433 1.549 1.00 0.00 C ATOM 522 O ASN A 33 -14.468 -0.989 2.455 1.00 0.00 O ATOM 523 CB ASN A 33 -15.991 0.248 0.367 1.00 0.00 C ATOM 524 CG ASN A 33 -15.970 -1.036 -0.466 1.00 0.00 C ATOM 525 OD1 ASN A 33 -15.905 -0.987 -1.678 1.00 0.00 O ATOM 526 ND2 ASN A 33 -16.026 -2.192 0.138 1.00 0.00 N ATOM 0 H ASN A 33 -13.978 0.023 -1.241 1.00 0.00 H new ATOM 0 HA ASN A 33 -14.527 1.571 1.304 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -16.568 0.093 1.279 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -16.482 1.047 -0.189 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -16.015 -3.054 -0.408 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -16.081 -2.234 1.156 1.00 0.00 H new ATOM 533 N ALA A 34 -12.649 -0.740 1.252 1.00 0.00 N ATOM 534 CA ALA A 34 -11.939 -1.792 2.032 1.00 0.00 C ATOM 535 C ALA A 34 -11.457 -1.223 3.367 1.00 0.00 C ATOM 536 O ALA A 34 -11.087 -0.070 3.465 1.00 0.00 O ATOM 537 CB ALA A 34 -10.742 -2.199 1.166 1.00 0.00 C ATOM 0 H ALA A 34 -12.104 -0.309 0.505 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.586 -2.640 2.257 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -10.170 -2.973 1.677 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -11.098 -2.583 0.210 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -10.105 -1.331 0.994 1.00 0.00 H new ATOM 543 N SER A 35 -11.447 -2.026 4.394 1.00 0.00 N ATOM 544 CA SER A 35 -10.970 -1.533 5.716 1.00 0.00 C ATOM 545 C SER A 35 -9.452 -1.689 5.779 1.00 0.00 C ATOM 546 O SER A 35 -8.884 -2.519 5.099 1.00 0.00 O ATOM 547 CB SER A 35 -11.644 -2.435 6.748 1.00 0.00 C ATOM 548 OG SER A 35 -11.014 -3.710 6.738 1.00 0.00 O ATOM 0 H SER A 35 -11.748 -3.000 4.375 1.00 0.00 H new ATOM 0 HA SER A 35 -11.208 -0.484 5.891 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.573 -1.989 7.740 1.00 0.00 H new ATOM 0 HB3 SER A 35 -12.705 -2.539 6.520 1.00 0.00 H new ATOM 0 HG SER A 35 -11.442 -4.292 7.400 1.00 0.00 H new ATOM 554 N TRP A 36 -8.780 -0.908 6.578 1.00 0.00 N ATOM 555 CA TRP A 36 -7.302 -1.051 6.642 1.00 0.00 C ATOM 556 C TRP A 36 -6.932 -2.520 6.847 1.00 0.00 C ATOM 557 O TRP A 36 -5.933 -2.989 6.351 1.00 0.00 O ATOM 558 CB TRP A 36 -6.842 -0.225 7.839 1.00 0.00 C ATOM 559 CG TRP A 36 -5.398 -0.524 8.090 1.00 0.00 C ATOM 560 CD1 TRP A 36 -4.853 -0.806 9.295 1.00 0.00 C ATOM 561 CD2 TRP A 36 -4.310 -0.595 7.122 1.00 0.00 C ATOM 562 NE1 TRP A 36 -3.498 -1.042 9.129 1.00 0.00 N ATOM 563 CE2 TRP A 36 -3.117 -0.923 7.807 1.00 0.00 C ATOM 564 CE3 TRP A 36 -4.246 -0.407 5.731 1.00 0.00 C ATOM 565 CZ2 TRP A 36 -1.901 -1.059 7.132 1.00 0.00 C ATOM 566 CZ3 TRP A 36 -3.026 -0.544 5.051 1.00 0.00 C ATOM 567 CH2 TRP A 36 -1.857 -0.870 5.752 1.00 0.00 C ATOM 0 H TRP A 36 -9.183 -0.189 7.179 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.828 -0.711 5.721 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.981 0.838 7.642 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.438 -0.467 8.719 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.387 -0.841 10.233 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -2.860 -1.275 9.890 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -5.141 -0.156 5.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.002 -1.309 7.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.988 -0.397 3.982 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.922 -0.975 5.222 1.00 0.00 H new ATOM 578 N GLU A 37 -7.725 -3.249 7.582 1.00 0.00 N ATOM 579 CA GLU A 37 -7.405 -4.686 7.818 1.00 0.00 C ATOM 580 C GLU A 37 -7.488 -5.474 6.507 1.00 0.00 C ATOM 581 O GLU A 37 -6.602 -6.236 6.176 1.00 0.00 O ATOM 582 CB GLU A 37 -8.461 -5.172 8.808 1.00 0.00 C ATOM 583 CG GLU A 37 -8.022 -4.823 10.232 1.00 0.00 C ATOM 584 CD GLU A 37 -8.866 -5.612 11.233 1.00 0.00 C ATOM 585 OE1 GLU A 37 -9.919 -5.121 11.606 1.00 0.00 O ATOM 586 OE2 GLU A 37 -8.445 -6.692 11.612 1.00 0.00 O ATOM 0 H GLU A 37 -8.579 -2.914 8.029 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.395 -4.824 8.203 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.422 -4.708 8.588 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.597 -6.249 8.711 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.966 -5.057 10.366 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.136 -3.753 10.407 1.00 0.00 H new ATOM 593 N GLN A 38 -8.545 -5.301 5.760 1.00 0.00 N ATOM 594 CA GLN A 38 -8.676 -6.048 4.476 1.00 0.00 C ATOM 595 C GLN A 38 -7.665 -5.526 3.451 1.00 0.00 C ATOM 596 O GLN A 38 -6.991 -6.288 2.783 1.00 0.00 O ATOM 597 CB GLN A 38 -10.103 -5.774 4.006 1.00 0.00 C ATOM 598 CG GLN A 38 -11.091 -6.336 5.028 1.00 0.00 C ATOM 599 CD GLN A 38 -11.957 -7.409 4.365 1.00 0.00 C ATOM 600 OE1 GLN A 38 -12.102 -8.498 4.887 1.00 0.00 O ATOM 601 NE2 GLN A 38 -12.543 -7.146 3.230 1.00 0.00 N ATOM 0 H GLN A 38 -9.321 -4.677 5.982 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.482 -7.114 4.597 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.258 -4.702 3.885 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.271 -6.232 3.031 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.552 -6.761 5.875 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.720 -5.536 5.419 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -12.421 -6.233 2.793 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -13.123 -7.854 2.780 1.00 0.00 H new ATOM 610 N ALA A 39 -7.555 -4.234 3.325 1.00 0.00 N ATOM 611 CA ALA A 39 -6.592 -3.659 2.345 1.00 0.00 C ATOM 612 C ALA A 39 -5.152 -3.927 2.789 1.00 0.00 C ATOM 613 O ALA A 39 -4.294 -4.227 1.985 1.00 0.00 O ATOM 614 CB ALA A 39 -6.884 -2.159 2.344 1.00 0.00 C ATOM 0 H ALA A 39 -8.091 -3.550 3.859 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.700 -4.099 1.354 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.214 -1.658 1.645 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.917 -1.990 2.041 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.729 -1.757 3.345 1.00 0.00 H new ATOM 620 N MET A 40 -4.880 -3.816 4.063 1.00 0.00 N ATOM 621 CA MET A 40 -3.490 -4.057 4.552 1.00 0.00 C ATOM 622 C MET A 40 -3.086 -5.514 4.339 1.00 0.00 C ATOM 623 O MET A 40 -2.025 -5.797 3.833 1.00 0.00 O ATOM 624 CB MET A 40 -3.519 -3.740 6.047 1.00 0.00 C ATOM 625 CG MET A 40 -2.179 -4.140 6.667 1.00 0.00 C ATOM 626 SD MET A 40 -2.179 -3.725 8.429 1.00 0.00 S ATOM 627 CE MET A 40 -2.221 -5.421 9.059 1.00 0.00 C ATOM 0 H MET A 40 -5.558 -3.570 4.784 1.00 0.00 H new ATOM 0 HA MET A 40 -2.769 -3.441 4.014 1.00 0.00 H new ATOM 0 HB2 MET A 40 -3.704 -2.677 6.203 1.00 0.00 H new ATOM 0 HB3 MET A 40 -4.334 -4.279 6.531 1.00 0.00 H new ATOM 0 HG2 MET A 40 -2.010 -5.209 6.535 1.00 0.00 H new ATOM 0 HG3 MET A 40 -1.364 -3.623 6.161 1.00 0.00 H new ATOM 0 HE1 MET A 40 -2.280 -5.404 10.147 1.00 0.00 H new ATOM 0 HE2 MET A 40 -3.092 -5.937 8.656 1.00 0.00 H new ATOM 0 HE3 MET A 40 -1.315 -5.945 8.753 1.00 0.00 H new ATOM 637 N LYS A 41 -3.914 -6.442 4.728 1.00 0.00 N ATOM 638 CA LYS A 41 -3.551 -7.878 4.547 1.00 0.00 C ATOM 639 C LYS A 41 -3.402 -8.204 3.059 1.00 0.00 C ATOM 640 O LYS A 41 -2.434 -8.820 2.638 1.00 0.00 O ATOM 641 CB LYS A 41 -4.717 -8.662 5.151 1.00 0.00 C ATOM 642 CG LYS A 41 -4.630 -8.615 6.679 1.00 0.00 C ATOM 643 CD LYS A 41 -5.983 -9.002 7.279 1.00 0.00 C ATOM 644 CE LYS A 41 -5.968 -10.484 7.660 1.00 0.00 C ATOM 645 NZ LYS A 41 -6.772 -11.161 6.604 1.00 0.00 N ATOM 0 H LYS A 41 -4.822 -6.272 5.161 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.602 -8.125 5.023 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.665 -8.239 4.817 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.691 -9.696 4.807 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.856 -9.297 7.031 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.347 -7.615 7.007 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.191 -8.392 8.158 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.780 -8.808 6.561 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.950 -10.873 7.692 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.401 -10.642 8.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.808 -12.182 6.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.738 -10.775 6.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.332 -10.999 5.676 1.00 0.00 H new ATOM 659 N MET A 42 -4.349 -7.791 2.260 1.00 0.00 N ATOM 660 CA MET A 42 -4.264 -8.076 0.800 1.00 0.00 C ATOM 661 C MET A 42 -2.963 -7.510 0.230 1.00 0.00 C ATOM 662 O MET A 42 -2.403 -8.044 -0.708 1.00 0.00 O ATOM 663 CB MET A 42 -5.474 -7.368 0.186 1.00 0.00 C ATOM 664 CG MET A 42 -6.761 -8.068 0.628 1.00 0.00 C ATOM 665 SD MET A 42 -7.458 -8.985 -0.769 1.00 0.00 S ATOM 666 CE MET A 42 -7.732 -7.564 -1.857 1.00 0.00 C ATOM 0 H MET A 42 -5.175 -7.270 2.555 1.00 0.00 H new ATOM 0 HA MET A 42 -4.267 -9.145 0.585 1.00 0.00 H new ATOM 0 HB2 MET A 42 -5.492 -6.323 0.496 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.399 -7.376 -0.901 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.553 -8.747 1.455 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.481 -7.334 0.991 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.597 -7.754 -2.492 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.912 -6.674 -1.254 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.852 -7.408 -2.481 1.00 0.00 H new ATOM 676 N ILE A 43 -2.473 -6.436 0.787 1.00 0.00 N ATOM 677 CA ILE A 43 -1.206 -5.847 0.267 1.00 0.00 C ATOM 678 C ILE A 43 -0.003 -6.365 1.062 1.00 0.00 C ATOM 679 O ILE A 43 1.111 -6.378 0.579 1.00 0.00 O ATOM 680 CB ILE A 43 -1.363 -4.336 0.437 1.00 0.00 C ATOM 681 CG1 ILE A 43 -1.352 -3.970 1.922 1.00 0.00 C ATOM 682 CG2 ILE A 43 -2.686 -3.887 -0.180 1.00 0.00 C ATOM 683 CD1 ILE A 43 -1.251 -2.448 2.065 1.00 0.00 C ATOM 0 H ILE A 43 -2.892 -5.943 1.575 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.028 -6.118 -0.774 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.533 -3.837 -0.063 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.259 -4.333 2.405 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.511 -4.451 2.421 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.797 -2.810 -0.058 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.695 -4.135 -1.241 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.511 -4.395 0.319 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.243 -2.182 3.122 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.331 -2.099 1.596 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.107 -1.979 1.579 1.00 0.00 H new ATOM 695 N ILE A 44 -0.213 -6.803 2.273 1.00 0.00 N ATOM 696 CA ILE A 44 0.931 -7.319 3.073 1.00 0.00 C ATOM 697 C ILE A 44 1.464 -8.586 2.407 1.00 0.00 C ATOM 698 O ILE A 44 2.655 -8.816 2.340 1.00 0.00 O ATOM 699 CB ILE A 44 0.359 -7.603 4.475 1.00 0.00 C ATOM 700 CG1 ILE A 44 1.367 -7.150 5.528 1.00 0.00 C ATOM 701 CG2 ILE A 44 0.083 -9.098 4.664 1.00 0.00 C ATOM 702 CD1 ILE A 44 0.619 -6.615 6.750 1.00 0.00 C ATOM 0 H ILE A 44 -1.120 -6.826 2.739 1.00 0.00 H new ATOM 0 HA ILE A 44 1.763 -6.618 3.140 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.579 -7.058 4.582 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.008 -7.983 5.816 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.016 -6.376 5.117 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.320 -9.270 5.662 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.639 -9.432 3.919 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.011 -9.657 4.546 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.337 -6.291 7.503 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.003 -5.770 6.455 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.011 -7.402 7.164 1.00 0.00 H new ATOM 714 N ASN A 45 0.583 -9.403 1.899 1.00 0.00 N ATOM 715 CA ASN A 45 1.041 -10.646 1.220 1.00 0.00 C ATOM 716 C ASN A 45 2.132 -10.300 0.201 1.00 0.00 C ATOM 717 O ASN A 45 2.927 -11.133 -0.183 1.00 0.00 O ATOM 718 CB ASN A 45 -0.200 -11.195 0.517 1.00 0.00 C ATOM 719 CG ASN A 45 -1.086 -11.915 1.536 1.00 0.00 C ATOM 720 OD1 ASN A 45 -0.918 -13.193 1.737 1.00 0.00 O flip ATOM 721 ND2 ASN A 45 -1.938 -11.310 2.153 1.00 0.00 N flip ATOM 0 H ASN A 45 -0.427 -9.265 1.924 1.00 0.00 H new ATOM 0 HA ASN A 45 1.464 -11.373 1.913 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.754 -10.383 0.047 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.093 -11.882 -0.277 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.069 -10.311 1.995 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.523 -11.801 2.829 1.00 0.00 H new ATOM 728 N ASP A 46 2.171 -9.068 -0.234 1.00 0.00 N ATOM 729 CA ASP A 46 3.205 -8.648 -1.224 1.00 0.00 C ATOM 730 C ASP A 46 4.315 -7.863 -0.518 1.00 0.00 C ATOM 731 O ASP A 46 4.057 -7.139 0.425 1.00 0.00 O ATOM 732 CB ASP A 46 2.456 -7.756 -2.216 1.00 0.00 C ATOM 733 CG ASP A 46 3.338 -7.487 -3.435 1.00 0.00 C ATOM 734 OD1 ASP A 46 3.279 -8.270 -4.369 1.00 0.00 O ATOM 735 OD2 ASP A 46 4.060 -6.503 -3.415 1.00 0.00 O ATOM 0 H ASP A 46 1.528 -8.331 0.056 1.00 0.00 H new ATOM 0 HA ASP A 46 3.681 -9.494 -1.719 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.529 -8.238 -2.525 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.182 -6.815 -1.739 1.00 0.00 H new ATOM 740 N PRO A 47 5.519 -8.034 -0.993 1.00 0.00 N ATOM 741 CA PRO A 47 6.677 -7.332 -0.387 1.00 0.00 C ATOM 742 C PRO A 47 6.530 -5.819 -0.555 1.00 0.00 C ATOM 743 O PRO A 47 7.190 -5.044 0.107 1.00 0.00 O ATOM 744 CB PRO A 47 7.876 -7.880 -1.163 1.00 0.00 C ATOM 745 CG PRO A 47 7.300 -8.353 -2.456 1.00 0.00 C ATOM 746 CD PRO A 47 5.920 -8.864 -2.133 1.00 0.00 C ATOM 0 HA PRO A 47 6.774 -7.497 0.686 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.631 -7.110 -1.323 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.360 -8.694 -0.623 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.256 -7.542 -3.183 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.915 -9.140 -2.893 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.239 -8.748 -2.976 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.932 -9.923 -1.877 1.00 0.00 H new ATOM 754 N ARG A 48 5.653 -5.393 -1.423 1.00 0.00 N ATOM 755 CA ARG A 48 5.449 -3.935 -1.615 1.00 0.00 C ATOM 756 C ARG A 48 5.020 -3.297 -0.297 1.00 0.00 C ATOM 757 O ARG A 48 5.228 -2.124 -0.070 1.00 0.00 O ATOM 758 CB ARG A 48 4.363 -3.832 -2.673 1.00 0.00 C ATOM 759 CG ARG A 48 5.002 -4.071 -4.039 1.00 0.00 C ATOM 760 CD ARG A 48 5.099 -2.746 -4.787 1.00 0.00 C ATOM 761 NE ARG A 48 3.754 -2.571 -5.388 1.00 0.00 N ATOM 762 CZ ARG A 48 3.638 -2.116 -6.606 1.00 0.00 C ATOM 763 NH1 ARG A 48 4.473 -1.216 -7.049 1.00 0.00 N ATOM 764 NH2 ARG A 48 2.694 -2.570 -7.383 1.00 0.00 N ATOM 0 H ARG A 48 5.071 -5.994 -2.006 1.00 0.00 H new ATOM 0 HA ARG A 48 6.353 -3.412 -1.928 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.580 -4.567 -2.486 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.893 -2.849 -2.640 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.994 -4.507 -3.918 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.408 -4.783 -4.612 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.345 -1.925 -4.113 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.876 -2.775 -5.551 1.00 0.00 H new ATOM 0 HE ARG A 48 2.920 -2.806 -4.850 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.216 -0.868 -6.443 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.382 -0.861 -8.001 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.047 -3.280 -7.039 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.602 -2.215 -8.335 1.00 0.00 H new ATOM 778 N TYR A 49 4.437 -4.065 0.582 1.00 0.00 N ATOM 779 CA TYR A 49 4.021 -3.496 1.892 1.00 0.00 C ATOM 780 C TYR A 49 5.260 -2.950 2.606 1.00 0.00 C ATOM 781 O TYR A 49 5.204 -1.980 3.342 1.00 0.00 O ATOM 782 CB TYR A 49 3.419 -4.676 2.663 1.00 0.00 C ATOM 783 CG TYR A 49 2.598 -4.156 3.814 1.00 0.00 C ATOM 784 CD1 TYR A 49 1.370 -3.539 3.569 1.00 0.00 C ATOM 785 CD2 TYR A 49 3.061 -4.296 5.127 1.00 0.00 C ATOM 786 CE1 TYR A 49 0.602 -3.062 4.628 1.00 0.00 C ATOM 787 CE2 TYR A 49 2.294 -3.816 6.190 1.00 0.00 C ATOM 788 CZ TYR A 49 1.064 -3.198 5.944 1.00 0.00 C ATOM 789 OH TYR A 49 0.311 -2.728 6.996 1.00 0.00 O ATOM 0 H TYR A 49 4.232 -5.055 0.450 1.00 0.00 H new ATOM 0 HA TYR A 49 3.306 -2.679 1.801 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.797 -5.278 2.001 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.212 -5.326 3.032 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.015 -3.431 2.555 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.010 -4.775 5.318 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.349 -2.588 4.435 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.651 -3.922 7.204 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.168 -1.919 6.720 1.00 0.00 H new ATOM 799 N SER A 50 6.394 -3.550 2.365 1.00 0.00 N ATOM 800 CA SER A 50 7.641 -3.060 3.010 1.00 0.00 C ATOM 801 C SER A 50 8.032 -1.716 2.398 1.00 0.00 C ATOM 802 O SER A 50 8.943 -1.055 2.854 1.00 0.00 O ATOM 803 CB SER A 50 8.697 -4.123 2.704 1.00 0.00 C ATOM 804 OG SER A 50 9.697 -4.096 3.714 1.00 0.00 O ATOM 0 H SER A 50 6.509 -4.356 1.751 1.00 0.00 H new ATOM 0 HA SER A 50 7.529 -2.910 4.084 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.235 -5.109 2.660 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.145 -3.937 1.728 1.00 0.00 H new ATOM 0 HG SER A 50 10.375 -4.777 3.522 1.00 0.00 H new ATOM 810 N ALA A 51 7.322 -1.291 1.387 1.00 0.00 N ATOM 811 CA ALA A 51 7.625 0.025 0.769 1.00 0.00 C ATOM 812 C ALA A 51 7.437 1.108 1.831 1.00 0.00 C ATOM 813 O ALA A 51 7.985 2.189 1.738 1.00 0.00 O ATOM 814 CB ALA A 51 6.599 0.183 -0.352 1.00 0.00 C ATOM 0 H ALA A 51 6.546 -1.801 0.965 1.00 0.00 H new ATOM 0 HA ALA A 51 8.642 0.101 0.385 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.757 1.135 -0.859 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.713 -0.632 -1.067 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.594 0.159 0.069 1.00 0.00 H new ATOM 820 N LEU A 52 6.671 0.814 2.854 1.00 0.00 N ATOM 821 CA LEU A 52 6.459 1.819 3.937 1.00 0.00 C ATOM 822 C LEU A 52 6.810 1.202 5.293 1.00 0.00 C ATOM 823 O LEU A 52 6.240 0.210 5.703 1.00 0.00 O ATOM 824 CB LEU A 52 4.973 2.181 3.883 1.00 0.00 C ATOM 825 CG LEU A 52 4.697 3.082 2.677 1.00 0.00 C ATOM 826 CD1 LEU A 52 3.290 3.664 2.794 1.00 0.00 C ATOM 827 CD2 LEU A 52 5.711 4.228 2.645 1.00 0.00 C ATOM 0 H LEU A 52 6.187 -0.074 2.984 1.00 0.00 H new ATOM 0 HA LEU A 52 7.088 2.700 3.806 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.372 1.274 3.815 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.681 2.689 4.802 1.00 0.00 H new ATOM 0 HG LEU A 52 4.782 2.495 1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.090 4.307 1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.562 2.853 2.818 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.213 4.248 3.711 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.511 4.867 1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.627 4.814 3.560 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.719 3.820 2.567 1.00 0.00 H new ATOM 839 N ALA A 53 7.750 1.778 5.986 1.00 0.00 N ATOM 840 CA ALA A 53 8.146 1.223 7.313 1.00 0.00 C ATOM 841 C ALA A 53 7.123 1.608 8.384 1.00 0.00 C ATOM 842 O ALA A 53 6.852 0.854 9.297 1.00 0.00 O ATOM 843 CB ALA A 53 9.502 1.857 7.618 1.00 0.00 C ATOM 0 H ALA A 53 8.263 2.610 5.693 1.00 0.00 H new ATOM 0 HA ALA A 53 8.195 0.134 7.302 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.863 1.498 8.582 1.00 0.00 H new ATOM 0 HB2 ALA A 53 10.214 1.585 6.839 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.397 2.941 7.651 1.00 0.00 H new ATOM 849 N LYS A 54 6.561 2.781 8.286 1.00 0.00 N ATOM 850 CA LYS A 54 5.567 3.216 9.308 1.00 0.00 C ATOM 851 C LYS A 54 4.147 2.827 8.883 1.00 0.00 C ATOM 852 O LYS A 54 3.753 2.996 7.745 1.00 0.00 O ATOM 853 CB LYS A 54 5.711 4.736 9.370 1.00 0.00 C ATOM 854 CG LYS A 54 6.698 5.110 10.477 1.00 0.00 C ATOM 855 CD LYS A 54 5.955 5.833 11.603 1.00 0.00 C ATOM 856 CE LYS A 54 6.193 7.342 11.486 1.00 0.00 C ATOM 857 NZ LYS A 54 6.197 7.849 12.888 1.00 0.00 N ATOM 0 H LYS A 54 6.746 3.456 7.544 1.00 0.00 H new ATOM 0 HA LYS A 54 5.741 2.745 10.276 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.061 5.118 8.411 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.742 5.196 9.562 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.183 4.214 10.864 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.484 5.750 10.076 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.888 5.617 11.546 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.302 5.473 12.572 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.139 7.554 10.988 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.410 7.819 10.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.355 8.877 12.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.281 7.641 13.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.957 7.383 13.423 1.00 0.00 H new ATOM 871 N LEU A 55 3.368 2.313 9.792 1.00 0.00 N ATOM 872 CA LEU A 55 1.976 1.930 9.437 1.00 0.00 C ATOM 873 C LEU A 55 1.137 3.188 9.203 1.00 0.00 C ATOM 874 O LEU A 55 0.221 3.194 8.405 1.00 0.00 O ATOM 875 CB LEU A 55 1.451 1.138 10.633 1.00 0.00 C ATOM 876 CG LEU A 55 0.654 -0.065 10.127 1.00 0.00 C ATOM 877 CD1 LEU A 55 -0.428 0.415 9.156 1.00 0.00 C ATOM 878 CD2 LEU A 55 1.593 -1.030 9.399 1.00 0.00 C ATOM 0 H LEU A 55 3.634 2.142 10.762 1.00 0.00 H new ATOM 0 HA LEU A 55 1.929 1.339 8.522 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.281 0.804 11.256 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.820 1.772 11.256 1.00 0.00 H new ATOM 0 HG LEU A 55 0.190 -0.574 10.972 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.998 -0.441 8.794 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.097 1.105 9.669 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.040 0.923 8.312 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.025 -1.888 9.038 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.056 -0.520 8.554 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.368 -1.371 10.085 1.00 0.00 H new ATOM 890 N SER A 56 1.447 4.257 9.888 1.00 0.00 N ATOM 891 CA SER A 56 0.665 5.513 9.694 1.00 0.00 C ATOM 892 C SER A 56 0.737 5.930 8.226 1.00 0.00 C ATOM 893 O SER A 56 -0.258 6.270 7.615 1.00 0.00 O ATOM 894 CB SER A 56 1.351 6.550 10.583 1.00 0.00 C ATOM 895 OG SER A 56 2.031 5.887 11.641 1.00 0.00 O ATOM 0 H SER A 56 2.204 4.315 10.570 1.00 0.00 H new ATOM 0 HA SER A 56 -0.388 5.400 9.951 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.055 7.140 9.996 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.614 7.244 10.988 1.00 0.00 H new ATOM 0 HG SER A 56 2.473 6.550 12.212 1.00 0.00 H new ATOM 901 N GLU A 57 1.904 5.875 7.644 1.00 0.00 N ATOM 902 CA GLU A 57 2.028 6.236 6.207 1.00 0.00 C ATOM 903 C GLU A 57 1.386 5.131 5.371 1.00 0.00 C ATOM 904 O GLU A 57 0.772 5.383 4.354 1.00 0.00 O ATOM 905 CB GLU A 57 3.530 6.347 5.929 1.00 0.00 C ATOM 906 CG GLU A 57 4.229 5.054 6.344 1.00 0.00 C ATOM 907 CD GLU A 57 5.641 5.029 5.760 1.00 0.00 C ATOM 908 OE1 GLU A 57 6.060 6.046 5.232 1.00 0.00 O ATOM 909 OE2 GLU A 57 6.280 3.994 5.851 1.00 0.00 O ATOM 0 H GLU A 57 2.772 5.597 8.101 1.00 0.00 H new ATOM 0 HA GLU A 57 1.528 7.172 5.958 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.700 6.539 4.870 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.949 7.190 6.477 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.272 4.984 7.431 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.663 4.192 5.991 1.00 0.00 H new ATOM 916 N LYS A 58 1.509 3.904 5.807 1.00 0.00 N ATOM 917 CA LYS A 58 0.884 2.785 5.051 1.00 0.00 C ATOM 918 C LYS A 58 -0.622 3.030 4.951 1.00 0.00 C ATOM 919 O LYS A 58 -1.227 2.846 3.913 1.00 0.00 O ATOM 920 CB LYS A 58 1.167 1.536 5.887 1.00 0.00 C ATOM 921 CG LYS A 58 2.556 0.997 5.549 1.00 0.00 C ATOM 922 CD LYS A 58 2.707 -0.414 6.118 1.00 0.00 C ATOM 923 CE LYS A 58 3.539 -1.259 5.156 1.00 0.00 C ATOM 924 NZ LYS A 58 4.610 -1.862 5.998 1.00 0.00 N ATOM 0 H LYS A 58 2.014 3.632 6.651 1.00 0.00 H new ATOM 0 HA LYS A 58 1.273 2.687 4.038 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.107 1.775 6.949 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.412 0.775 5.689 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.699 0.982 4.469 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.323 1.652 5.963 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.188 -0.375 7.095 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.726 -0.867 6.263 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.931 -2.029 4.680 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.961 -0.648 4.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.523 -1.420 5.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.393 -1.703 7.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.663 -2.884 5.813 1.00 0.00 H new ATOM 938 N LYS A 59 -1.227 3.461 6.026 1.00 0.00 N ATOM 939 CA LYS A 59 -2.691 3.738 6.002 1.00 0.00 C ATOM 940 C LYS A 59 -2.964 4.968 5.135 1.00 0.00 C ATOM 941 O LYS A 59 -3.921 5.013 4.388 1.00 0.00 O ATOM 942 CB LYS A 59 -3.066 4.019 7.457 1.00 0.00 C ATOM 943 CG LYS A 59 -3.367 2.702 8.177 1.00 0.00 C ATOM 944 CD LYS A 59 -3.871 3.004 9.590 1.00 0.00 C ATOM 945 CE LYS A 59 -3.408 1.904 10.548 1.00 0.00 C ATOM 946 NZ LYS A 59 -4.450 1.862 11.611 1.00 0.00 N ATOM 0 H LYS A 59 -0.769 3.633 6.921 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.267 2.910 5.588 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.251 4.540 7.958 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.936 4.674 7.498 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.116 2.135 7.624 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.469 2.085 8.222 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.494 3.971 9.922 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.959 3.068 9.593 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.325 0.944 10.038 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.426 2.130 10.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.205 1.131 12.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.502 2.787 12.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.372 1.639 11.185 1.00 0.00 H new ATOM 960 N GLN A 60 -2.122 5.963 5.222 1.00 0.00 N ATOM 961 CA GLN A 60 -2.332 7.184 4.395 1.00 0.00 C ATOM 962 C GLN A 60 -2.275 6.812 2.912 1.00 0.00 C ATOM 963 O GLN A 60 -3.033 7.315 2.108 1.00 0.00 O ATOM 964 CB GLN A 60 -1.180 8.120 4.761 1.00 0.00 C ATOM 965 CG GLN A 60 -1.503 8.845 6.069 1.00 0.00 C ATOM 966 CD GLN A 60 -0.897 10.249 6.036 1.00 0.00 C ATOM 967 OE1 GLN A 60 0.096 10.478 5.375 1.00 0.00 O ATOM 968 NE2 GLN A 60 -1.457 11.206 6.724 1.00 0.00 N ATOM 0 H GLN A 60 -1.301 5.982 5.828 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.300 7.652 4.576 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.256 7.552 4.867 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -1.019 8.844 3.962 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.583 8.906 6.206 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.105 8.285 6.915 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.291 11.014 7.279 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.061 12.146 6.707 1.00 0.00 H new ATOM 977 N ALA A 61 -1.392 5.923 2.548 1.00 0.00 N ATOM 978 CA ALA A 61 -1.301 5.509 1.120 1.00 0.00 C ATOM 979 C ALA A 61 -2.549 4.710 0.745 1.00 0.00 C ATOM 980 O ALA A 61 -3.146 4.915 -0.293 1.00 0.00 O ATOM 981 CB ALA A 61 -0.052 4.632 1.032 1.00 0.00 C ATOM 0 H ALA A 61 -0.731 5.466 3.176 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.238 6.358 0.440 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.080 4.289 0.006 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.821 5.210 1.336 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.165 3.771 1.691 1.00 0.00 H new ATOM 987 N PHE A 62 -2.955 3.806 1.596 1.00 0.00 N ATOM 988 CA PHE A 62 -4.173 3.003 1.304 1.00 0.00 C ATOM 989 C PHE A 62 -5.370 3.942 1.138 1.00 0.00 C ATOM 990 O PHE A 62 -6.160 3.807 0.224 1.00 0.00 O ATOM 991 CB PHE A 62 -4.349 2.104 2.527 1.00 0.00 C ATOM 992 CG PHE A 62 -5.724 1.486 2.509 1.00 0.00 C ATOM 993 CD1 PHE A 62 -6.337 1.169 1.291 1.00 0.00 C ATOM 994 CD2 PHE A 62 -6.386 1.228 3.713 1.00 0.00 C ATOM 995 CE1 PHE A 62 -7.610 0.598 1.275 1.00 0.00 C ATOM 996 CE2 PHE A 62 -7.664 0.656 3.700 1.00 0.00 C ATOM 997 CZ PHE A 62 -8.275 0.341 2.480 1.00 0.00 C ATOM 0 H PHE A 62 -2.494 3.590 2.480 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.092 2.420 0.387 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.589 1.323 2.529 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -4.212 2.684 3.440 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.823 1.367 0.362 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.912 1.470 4.653 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.082 0.355 0.334 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.178 0.458 4.629 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.260 -0.101 2.469 1.00 0.00 H new ATOM 1007 N ASN A 63 -5.497 4.908 2.004 1.00 0.00 N ATOM 1008 CA ASN A 63 -6.627 5.869 1.880 1.00 0.00 C ATOM 1009 C ASN A 63 -6.530 6.583 0.532 1.00 0.00 C ATOM 1010 O ASN A 63 -7.487 6.667 -0.211 1.00 0.00 O ATOM 1011 CB ASN A 63 -6.442 6.856 3.033 1.00 0.00 C ATOM 1012 CG ASN A 63 -7.533 6.631 4.080 1.00 0.00 C ATOM 1013 OD1 ASN A 63 -8.707 6.712 3.779 1.00 0.00 O ATOM 1014 ND2 ASN A 63 -7.192 6.351 5.309 1.00 0.00 N ATOM 0 H ASN A 63 -4.869 5.073 2.790 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.603 5.386 1.926 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.458 6.724 3.484 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.487 7.879 2.660 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.911 6.200 6.016 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.206 6.283 5.562 1.00 0.00 H new ATOM 1021 N ALA A 64 -5.368 7.079 0.209 1.00 0.00 N ATOM 1022 CA ALA A 64 -5.191 7.772 -1.098 1.00 0.00 C ATOM 1023 C ALA A 64 -5.525 6.804 -2.233 1.00 0.00 C ATOM 1024 O ALA A 64 -6.077 7.183 -3.246 1.00 0.00 O ATOM 1025 CB ALA A 64 -3.716 8.172 -1.146 1.00 0.00 C ATOM 0 H ALA A 64 -4.533 7.035 0.793 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.842 8.640 -1.205 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.510 8.689 -2.083 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.491 8.833 -0.309 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.095 7.279 -1.080 1.00 0.00 H new ATOM 1031 N TYR A 65 -5.200 5.549 -2.064 1.00 0.00 N ATOM 1032 CA TYR A 65 -5.506 4.555 -3.125 1.00 0.00 C ATOM 1033 C TYR A 65 -7.018 4.495 -3.350 1.00 0.00 C ATOM 1034 O TYR A 65 -7.489 4.461 -4.470 1.00 0.00 O ATOM 1035 CB TYR A 65 -4.997 3.223 -2.570 1.00 0.00 C ATOM 1036 CG TYR A 65 -5.647 2.085 -3.316 1.00 0.00 C ATOM 1037 CD1 TYR A 65 -5.070 1.613 -4.497 1.00 0.00 C ATOM 1038 CD2 TYR A 65 -6.830 1.508 -2.831 1.00 0.00 C ATOM 1039 CE1 TYR A 65 -5.669 0.563 -5.196 1.00 0.00 C ATOM 1040 CE2 TYR A 65 -7.428 0.455 -3.530 1.00 0.00 C ATOM 1041 CZ TYR A 65 -6.846 -0.019 -4.715 1.00 0.00 C ATOM 1042 OH TYR A 65 -7.433 -1.058 -5.407 1.00 0.00 O ATOM 0 H TYR A 65 -4.736 5.173 -1.237 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.044 4.802 -4.081 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.913 3.166 -2.671 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.223 3.150 -1.506 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.160 2.060 -4.870 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.278 1.876 -1.920 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.222 0.200 -6.110 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.337 0.007 -3.158 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.401 -1.048 -5.253 1.00 0.00 H new ATOM 1052 N LYS A 66 -7.782 4.488 -2.293 1.00 0.00 N ATOM 1053 CA LYS A 66 -9.261 4.436 -2.452 1.00 0.00 C ATOM 1054 C LYS A 66 -9.769 5.748 -3.052 1.00 0.00 C ATOM 1055 O LYS A 66 -10.727 5.770 -3.799 1.00 0.00 O ATOM 1056 CB LYS A 66 -9.807 4.246 -1.038 1.00 0.00 C ATOM 1057 CG LYS A 66 -9.158 3.023 -0.392 1.00 0.00 C ATOM 1058 CD LYS A 66 -9.886 2.689 0.913 1.00 0.00 C ATOM 1059 CE LYS A 66 -9.377 3.600 2.033 1.00 0.00 C ATOM 1060 NZ LYS A 66 -10.269 3.321 3.196 1.00 0.00 N ATOM 0 H LYS A 66 -7.447 4.516 -1.330 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.578 3.635 -3.120 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.607 5.134 -0.439 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.889 4.120 -1.070 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.201 2.173 -1.073 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.104 3.219 -0.193 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.961 2.819 0.785 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.720 1.644 1.177 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -8.336 3.385 2.274 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.426 4.649 1.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -9.981 3.910 4.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.253 3.542 2.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.196 2.317 3.456 1.00 0.00 H new ATOM 1074 N VAL A 67 -9.135 6.844 -2.732 1.00 0.00 N ATOM 1075 CA VAL A 67 -9.586 8.151 -3.287 1.00 0.00 C ATOM 1076 C VAL A 67 -9.440 8.156 -4.810 1.00 0.00 C ATOM 1077 O VAL A 67 -10.186 8.806 -5.514 1.00 0.00 O ATOM 1078 CB VAL A 67 -8.662 9.192 -2.656 1.00 0.00 C ATOM 1079 CG1 VAL A 67 -8.897 10.550 -3.319 1.00 0.00 C ATOM 1080 CG2 VAL A 67 -8.963 9.294 -1.160 1.00 0.00 C ATOM 0 H VAL A 67 -8.326 6.890 -2.112 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.634 8.353 -3.067 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.623 8.895 -2.799 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.238 11.293 -2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.686 10.476 -4.386 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.935 10.851 -3.175 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.306 10.036 -0.706 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.001 9.594 -1.017 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.797 8.325 -0.689 1.00 0.00 H new ATOM 1090 N GLN A 68 -8.485 7.433 -5.323 1.00 0.00 N ATOM 1091 CA GLN A 68 -8.292 7.393 -6.801 1.00 0.00 C ATOM 1092 C GLN A 68 -9.372 6.526 -7.450 1.00 0.00 C ATOM 1093 O GLN A 68 -9.765 6.746 -8.579 1.00 0.00 O ATOM 1094 CB GLN A 68 -6.909 6.771 -7.000 1.00 0.00 C ATOM 1095 CG GLN A 68 -5.834 7.801 -6.648 1.00 0.00 C ATOM 1096 CD GLN A 68 -5.895 8.962 -7.643 1.00 0.00 C ATOM 1097 OE1 GLN A 68 -6.303 10.052 -7.298 1.00 0.00 O ATOM 1098 NE2 GLN A 68 -5.505 8.770 -8.874 1.00 0.00 N ATOM 0 H GLN A 68 -7.829 6.868 -4.784 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.364 8.381 -7.257 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.802 5.887 -6.371 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.790 6.444 -8.033 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.986 8.169 -5.633 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -4.848 7.337 -6.674 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.162 7.854 -9.163 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.543 9.536 -9.546 1.00 0.00 H new ATOM 1107 N THR A 69 -9.857 5.545 -6.743 1.00 0.00 N ATOM 1108 CA THR A 69 -10.915 4.662 -7.313 1.00 0.00 C ATOM 1109 C THR A 69 -12.297 5.126 -6.850 1.00 0.00 C ATOM 1110 O THR A 69 -13.309 4.572 -7.232 1.00 0.00 O ATOM 1111 CB THR A 69 -10.606 3.269 -6.763 1.00 0.00 C ATOM 1112 OG1 THR A 69 -10.497 3.337 -5.348 1.00 0.00 O ATOM 1113 CG2 THR A 69 -9.289 2.766 -7.356 1.00 0.00 C ATOM 0 H THR A 69 -9.567 5.315 -5.793 1.00 0.00 H new ATOM 0 HA THR A 69 -10.923 4.678 -8.403 1.00 0.00 H new ATOM 0 HB THR A 69 -11.408 2.582 -7.034 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.300 2.445 -4.992 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.069 1.773 -6.964 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.374 2.717 -8.442 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.484 3.449 -7.086 1.00 0.00 H new ATOM 1121 N GLU A 70 -12.349 6.138 -6.027 1.00 0.00 N ATOM 1122 CA GLU A 70 -13.666 6.636 -5.538 1.00 0.00 C ATOM 1123 C GLU A 70 -14.609 6.891 -6.718 1.00 0.00 C ATOM 1124 O GLU A 70 -14.652 7.973 -7.268 1.00 0.00 O ATOM 1125 CB GLU A 70 -13.350 7.943 -4.811 1.00 0.00 C ATOM 1126 CG GLU A 70 -13.480 7.728 -3.301 1.00 0.00 C ATOM 1127 CD GLU A 70 -14.099 8.972 -2.660 1.00 0.00 C ATOM 1128 OE1 GLU A 70 -13.966 10.039 -3.235 1.00 0.00 O ATOM 1129 OE2 GLU A 70 -14.696 8.834 -1.605 1.00 0.00 O ATOM 0 H GLU A 70 -11.536 6.641 -5.672 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.163 5.917 -4.887 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.341 8.274 -5.057 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.032 8.728 -5.138 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.101 6.855 -3.099 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -12.501 7.530 -2.865 1.00 0.00 H new ATOM 1136 N LYS A 71 -15.365 5.902 -7.108 1.00 0.00 N ATOM 1137 CA LYS A 71 -16.304 6.090 -8.251 1.00 0.00 C ATOM 1138 C LYS A 71 -17.085 7.396 -8.086 1.00 0.00 C ATOM 1139 O LYS A 71 -18.041 7.400 -7.329 1.00 0.00 O ATOM 1140 CB LYS A 71 -17.248 4.889 -8.191 1.00 0.00 C ATOM 1141 CG LYS A 71 -17.049 4.020 -9.434 1.00 0.00 C ATOM 1142 CD LYS A 71 -16.440 2.677 -9.025 1.00 0.00 C ATOM 1143 CE LYS A 71 -17.548 1.746 -8.528 1.00 0.00 C ATOM 1144 NZ LYS A 71 -17.167 1.408 -7.128 1.00 0.00 N ATOM 1145 OXT LYS A 71 -16.714 8.369 -8.722 1.00 0.00 O ATOM 0 H LYS A 71 -15.374 4.973 -6.686 1.00 0.00 H new ATOM 0 HA LYS A 71 -15.783 6.151 -9.207 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -17.054 4.305 -7.291 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -18.282 5.229 -8.134 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -18.003 3.861 -9.936 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -16.396 4.527 -10.144 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -15.924 2.226 -9.873 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -15.697 2.826 -8.242 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -18.521 2.235 -8.565 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -17.618 0.850 -9.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -17.871 0.758 -6.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -16.232 0.953 -7.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -17.132 2.277 -6.558 1.00 0.00 H new TER 1159 LYS A 71