USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 600 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 12 THR OG1 : rot 180:sc= -2.42! USER MOD Single : A 13 GLN : amide:sc= -0.227 X(o=-0.23,f=0) USER MOD Single : A 14 ASN : amide:sc= -4.2! C(o=-4.2!,f=-4.8!) USER MOD Single : A 17 LYS NZ :NH3+ 155:sc= -0.0503 (180deg=-0.99) USER MOD Single : A 24 ASN : amide:sc= -0.546 K(o=-0.55,f=-3.1!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.541 X(o=-0.54,f=-0.49) USER MOD Single : A 33 THR OG1 : rot -100:sc= -5.73! USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 21:sc= -11.3! USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -128:sc= -0.38 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -4.19! C(o=-4.2!,f=-5.6!) USER MOD Single : A 61 TYR OH : rot 180:sc= -7.26! USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -151:sc= -9.07! (180deg=-11.6!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -3.13! C(o=-3.1!,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 10 N GLU A 2 -9.462 8.404 -5.876 1.00 1.18 N ATOM 11 CA GLU A 2 -8.465 9.510 -5.809 1.00 0.97 C ATOM 12 C GLU A 2 -7.080 8.954 -5.465 1.00 0.84 C ATOM 13 O GLU A 2 -6.917 8.201 -4.526 1.00 0.80 O ATOM 14 CB GLU A 2 -8.966 10.427 -4.691 1.00 1.17 C ATOM 15 CG GLU A 2 -10.469 10.657 -4.855 1.00 1.49 C ATOM 16 CD GLU A 2 -10.811 12.098 -4.471 1.00 2.07 C ATOM 17 OE1 GLU A 2 -10.010 12.972 -4.761 1.00 2.42 O ATOM 18 OE2 GLU A 2 -11.865 12.303 -3.893 1.00 2.83 O ATOM 0 HA GLU A 2 -8.369 10.037 -6.758 1.00 0.97 H new ATOM 0 HB2 GLU A 2 -8.760 9.979 -3.719 1.00 1.17 H new ATOM 0 HB3 GLU A 2 -8.436 11.379 -4.722 1.00 1.17 H new ATOM 0 HG2 GLU A 2 -10.767 10.464 -5.886 1.00 1.49 H new ATOM 0 HG3 GLU A 2 -11.025 9.961 -4.227 1.00 1.49 H new ATOM 25 N TRP A 3 -6.081 9.320 -6.222 1.00 0.97 N ATOM 26 CA TRP A 3 -4.707 8.813 -5.938 1.00 0.89 C ATOM 27 C TRP A 3 -4.073 9.613 -4.797 1.00 0.97 C ATOM 28 O TRP A 3 -4.573 10.646 -4.400 1.00 1.26 O ATOM 29 CB TRP A 3 -3.931 9.023 -7.238 1.00 0.97 C ATOM 30 CG TRP A 3 -3.809 10.486 -7.515 1.00 1.39 C ATOM 31 CD1 TRP A 3 -2.914 11.316 -6.930 1.00 2.20 C ATOM 32 CD2 TRP A 3 -4.591 11.307 -8.431 1.00 1.90 C ATOM 33 NE1 TRP A 3 -3.096 12.593 -7.430 1.00 2.55 N ATOM 34 CE2 TRP A 3 -4.118 12.639 -8.358 1.00 2.32 C ATOM 35 CE3 TRP A 3 -5.653 11.029 -9.311 1.00 2.73 C ATOM 36 CZ2 TRP A 3 -4.679 13.658 -9.128 1.00 2.96 C ATOM 37 CZ3 TRP A 3 -6.219 12.052 -10.088 1.00 3.60 C ATOM 38 CH2 TRP A 3 -5.733 13.364 -9.997 1.00 3.54 C ATOM 0 H TRP A 3 -6.156 9.947 -7.023 1.00 0.97 H new ATOM 0 HA TRP A 3 -4.708 7.768 -5.629 1.00 0.89 H new ATOM 0 HB2 TRP A 3 -2.941 8.573 -7.160 1.00 0.97 H new ATOM 0 HB3 TRP A 3 -4.442 8.527 -8.063 1.00 0.97 H new ATOM 0 HD1 TRP A 3 -2.178 11.028 -6.194 1.00 2.20 H new ATOM 0 HE1 TRP A 3 -2.543 13.402 -7.148 1.00 2.55 H new ATOM 0 HE3 TRP A 3 -6.035 10.022 -9.389 1.00 2.73 H new ATOM 0 HZ2 TRP A 3 -4.301 14.667 -9.053 1.00 2.96 H new ATOM 0 HZ3 TRP A 3 -7.034 11.827 -10.760 1.00 3.60 H new ATOM 0 HH2 TRP A 3 -6.173 14.146 -10.598 1.00 3.54 H new ATOM 49 N GLU A 4 -2.976 9.144 -4.269 1.00 0.82 N ATOM 50 CA GLU A 4 -2.312 9.879 -3.155 1.00 0.97 C ATOM 51 C GLU A 4 -1.110 9.083 -2.640 1.00 0.83 C ATOM 52 O GLU A 4 -1.244 7.969 -2.177 1.00 1.04 O ATOM 53 CB GLU A 4 -3.382 10.001 -2.069 1.00 1.16 C ATOM 54 CG GLU A 4 -2.724 10.387 -0.743 1.00 1.74 C ATOM 55 CD GLU A 4 -3.361 11.672 -0.212 1.00 2.06 C ATOM 56 OE1 GLU A 4 -2.901 12.738 -0.589 1.00 2.72 O ATOM 57 OE2 GLU A 4 -4.298 11.571 0.563 1.00 2.30 O ATOM 0 H GLU A 4 -2.511 8.284 -4.560 1.00 0.82 H new ATOM 0 HA GLU A 4 -1.936 10.853 -3.467 1.00 0.97 H new ATOM 0 HB2 GLU A 4 -4.119 10.752 -2.353 1.00 1.16 H new ATOM 0 HB3 GLU A 4 -3.915 9.056 -1.961 1.00 1.16 H new ATOM 0 HG2 GLU A 4 -2.844 9.582 -0.018 1.00 1.74 H new ATOM 0 HG3 GLU A 4 -1.653 10.531 -0.885 1.00 1.74 H new ATOM 64 N ILE A 5 0.065 9.646 -2.719 1.00 0.67 N ATOM 65 CA ILE A 5 1.272 8.929 -2.241 1.00 0.56 C ATOM 66 C ILE A 5 1.390 9.039 -0.718 1.00 0.60 C ATOM 67 O ILE A 5 0.542 9.606 -0.058 1.00 0.77 O ATOM 68 CB ILE A 5 2.428 9.652 -2.923 1.00 0.62 C ATOM 69 CG1 ILE A 5 2.362 11.146 -2.594 1.00 1.10 C ATOM 70 CG2 ILE A 5 2.330 9.461 -4.437 1.00 1.20 C ATOM 71 CD1 ILE A 5 3.730 11.623 -2.107 1.00 1.37 C ATOM 0 H ILE A 5 0.237 10.578 -3.097 1.00 0.67 H new ATOM 0 HA ILE A 5 1.250 7.864 -2.473 1.00 0.56 H new ATOM 0 HB ILE A 5 3.372 9.241 -2.565 1.00 0.62 H new ATOM 0 HG12 ILE A 5 2.062 11.710 -3.477 1.00 1.10 H new ATOM 0 HG13 ILE A 5 1.608 11.327 -1.828 1.00 1.10 H new ATOM 0 HG21 ILE A 5 3.157 9.978 -4.923 1.00 1.20 H new ATOM 0 HG22 ILE A 5 2.378 8.398 -4.673 1.00 1.20 H new ATOM 0 HG23 ILE A 5 1.385 9.870 -4.795 1.00 1.20 H new ATOM 0 HD11 ILE A 5 3.682 12.687 -1.873 1.00 1.37 H new ATOM 0 HD12 ILE A 5 4.012 11.067 -1.213 1.00 1.37 H new ATOM 0 HD13 ILE A 5 4.473 11.456 -2.887 1.00 1.37 H new ATOM 83 N ILE A 6 2.441 8.505 -0.157 1.00 0.56 N ATOM 84 CA ILE A 6 2.618 8.583 1.327 1.00 0.69 C ATOM 85 C ILE A 6 3.808 9.488 1.663 1.00 0.87 C ATOM 86 O ILE A 6 4.268 10.248 0.834 1.00 1.24 O ATOM 87 CB ILE A 6 2.867 7.147 1.834 1.00 0.73 C ATOM 88 CG1 ILE A 6 3.544 6.275 0.749 1.00 1.30 C ATOM 89 CG2 ILE A 6 1.536 6.524 2.265 1.00 1.59 C ATOM 90 CD1 ILE A 6 2.505 5.676 -0.217 1.00 2.43 C ATOM 0 H ILE A 6 3.185 8.019 -0.658 1.00 0.56 H new ATOM 0 HA ILE A 6 1.734 9.006 1.805 1.00 0.69 H new ATOM 0 HB ILE A 6 3.544 7.192 2.687 1.00 0.73 H new ATOM 0 HG12 ILE A 6 4.259 6.878 0.189 1.00 1.30 H new ATOM 0 HG13 ILE A 6 4.107 5.472 1.224 1.00 1.30 H new ATOM 0 HG21 ILE A 6 1.708 5.509 2.624 1.00 1.59 H new ATOM 0 HG22 ILE A 6 1.096 7.121 3.064 1.00 1.59 H new ATOM 0 HG23 ILE A 6 0.855 6.497 1.415 1.00 1.59 H new ATOM 0 HD11 ILE A 6 3.013 5.069 -0.967 1.00 2.43 H new ATOM 0 HD12 ILE A 6 1.806 5.053 0.341 1.00 2.43 H new ATOM 0 HD13 ILE A 6 1.960 6.481 -0.710 1.00 2.43 H new ATOM 102 N ASP A 7 4.304 9.431 2.872 1.00 0.91 N ATOM 103 CA ASP A 7 5.453 10.312 3.236 1.00 1.37 C ATOM 104 C ASP A 7 6.420 9.610 4.199 1.00 1.08 C ATOM 105 O ASP A 7 6.620 10.053 5.312 1.00 1.66 O ATOM 106 CB ASP A 7 4.815 11.524 3.915 1.00 2.14 C ATOM 107 CG ASP A 7 5.841 12.655 4.011 1.00 2.93 C ATOM 108 OD1 ASP A 7 7.007 12.395 3.758 1.00 3.42 O ATOM 109 OD2 ASP A 7 5.446 13.761 4.338 1.00 3.50 O ATOM 0 H ASP A 7 3.967 8.819 3.616 1.00 0.91 H new ATOM 0 HA ASP A 7 6.042 10.582 2.360 1.00 1.37 H new ATOM 0 HB2 ASP A 7 3.945 11.855 3.348 1.00 2.14 H new ATOM 0 HB3 ASP A 7 4.463 11.253 4.910 1.00 2.14 H new ATOM 114 N ILE A 8 7.015 8.522 3.776 1.00 1.02 N ATOM 115 CA ILE A 8 7.977 7.785 4.649 1.00 0.97 C ATOM 116 C ILE A 8 7.457 7.747 6.078 1.00 0.87 C ATOM 117 O ILE A 8 8.173 7.988 7.031 1.00 1.05 O ATOM 118 CB ILE A 8 9.303 8.550 4.554 1.00 1.13 C ATOM 119 CG1 ILE A 8 10.400 7.744 5.251 1.00 1.58 C ATOM 120 CG2 ILE A 8 9.176 9.919 5.227 1.00 1.76 C ATOM 121 CD1 ILE A 8 11.737 8.474 5.115 1.00 1.57 C ATOM 0 H ILE A 8 6.873 8.110 2.854 1.00 1.02 H new ATOM 0 HA ILE A 8 8.107 6.749 4.335 1.00 0.97 H new ATOM 0 HB ILE A 8 9.556 8.694 3.504 1.00 1.13 H new ATOM 0 HG12 ILE A 8 10.153 7.609 6.304 1.00 1.58 H new ATOM 0 HG13 ILE A 8 10.471 6.750 4.810 1.00 1.58 H new ATOM 0 HG21 ILE A 8 10.125 10.451 5.152 1.00 1.76 H new ATOM 0 HG22 ILE A 8 8.396 10.497 4.732 1.00 1.76 H new ATOM 0 HG23 ILE A 8 8.917 9.785 6.277 1.00 1.76 H new ATOM 0 HD11 ILE A 8 12.518 7.899 5.612 1.00 1.57 H new ATOM 0 HD12 ILE A 8 11.985 8.586 4.059 1.00 1.57 H new ATOM 0 HD13 ILE A 8 11.662 9.459 5.576 1.00 1.57 H new ATOM 133 N GLY A 9 6.207 7.441 6.224 1.00 0.76 N ATOM 134 CA GLY A 9 5.606 7.378 7.587 1.00 0.86 C ATOM 135 C GLY A 9 4.667 6.168 7.732 1.00 0.77 C ATOM 136 O GLY A 9 4.918 5.278 8.525 1.00 0.76 O ATOM 0 H GLY A 9 5.567 7.230 5.458 1.00 0.76 H new ATOM 0 HA2 GLY A 9 6.398 7.317 8.333 1.00 0.86 H new ATOM 0 HA3 GLY A 9 5.052 8.296 7.785 1.00 0.86 H new ATOM 140 N PRO A 10 3.596 6.189 6.984 1.00 0.78 N ATOM 141 CA PRO A 10 2.591 5.108 7.067 1.00 0.82 C ATOM 142 C PRO A 10 3.004 3.897 6.232 1.00 0.74 C ATOM 143 O PRO A 10 3.372 2.870 6.766 1.00 0.76 O ATOM 144 CB PRO A 10 1.327 5.761 6.518 1.00 0.94 C ATOM 145 CG PRO A 10 1.795 6.879 5.634 1.00 0.91 C ATOM 146 CD PRO A 10 3.231 7.195 5.990 1.00 0.85 C ATOM 0 HA PRO A 10 2.464 4.723 8.079 1.00 0.82 H new ATOM 0 HB2 PRO A 10 0.728 5.043 5.957 1.00 0.94 H new ATOM 0 HB3 PRO A 10 0.699 6.138 7.325 1.00 0.94 H new ATOM 0 HG2 PRO A 10 1.718 6.592 4.585 1.00 0.91 H new ATOM 0 HG3 PRO A 10 1.167 7.760 5.770 1.00 0.91 H new ATOM 0 HD2 PRO A 10 3.878 7.139 5.114 1.00 0.85 H new ATOM 0 HD3 PRO A 10 3.326 8.203 6.393 1.00 0.85 H new ATOM 154 N PHE A 11 2.942 3.999 4.932 1.00 0.72 N ATOM 155 CA PHE A 11 3.335 2.836 4.087 1.00 0.71 C ATOM 156 C PHE A 11 4.630 2.228 4.623 1.00 0.65 C ATOM 157 O PHE A 11 4.837 1.033 4.564 1.00 0.68 O ATOM 158 CB PHE A 11 3.526 3.398 2.684 1.00 0.71 C ATOM 159 CG PHE A 11 2.255 3.198 1.896 1.00 0.85 C ATOM 160 CD1 PHE A 11 1.016 3.252 2.545 1.00 1.31 C ATOM 161 CD2 PHE A 11 2.313 2.951 0.519 1.00 1.21 C ATOM 162 CE1 PHE A 11 -0.165 3.061 1.819 1.00 1.53 C ATOM 163 CE2 PHE A 11 1.132 2.759 -0.207 1.00 1.34 C ATOM 164 CZ PHE A 11 -0.107 2.813 0.442 1.00 1.30 C ATOM 0 H PHE A 11 2.639 4.829 4.423 1.00 0.72 H new ATOM 0 HA PHE A 11 2.587 2.043 4.090 1.00 0.71 H new ATOM 0 HB2 PHE A 11 3.775 4.458 2.734 1.00 0.71 H new ATOM 0 HB3 PHE A 11 4.358 2.898 2.189 1.00 0.71 H new ATOM 0 HD1 PHE A 11 0.971 3.441 3.607 1.00 1.31 H new ATOM 0 HD2 PHE A 11 3.269 2.909 0.017 1.00 1.21 H new ATOM 0 HE1 PHE A 11 -1.121 3.105 2.320 1.00 1.53 H new ATOM 0 HE2 PHE A 11 1.177 2.569 -1.269 1.00 1.34 H new ATOM 0 HZ PHE A 11 -1.018 2.663 -0.119 1.00 1.30 H new ATOM 174 N THR A 12 5.489 3.035 5.185 1.00 0.62 N ATOM 175 CA THR A 12 6.738 2.492 5.761 1.00 0.62 C ATOM 176 C THR A 12 6.349 1.457 6.803 1.00 0.63 C ATOM 177 O THR A 12 6.707 0.295 6.731 1.00 0.62 O ATOM 178 CB THR A 12 7.413 3.689 6.437 1.00 0.67 C ATOM 179 OG1 THR A 12 6.691 4.041 7.612 1.00 0.90 O ATOM 180 CG2 THR A 12 7.450 4.885 5.486 1.00 0.69 C ATOM 0 H THR A 12 5.374 4.045 5.267 1.00 0.62 H new ATOM 0 HA THR A 12 7.395 2.026 5.026 1.00 0.62 H new ATOM 0 HB THR A 12 8.435 3.415 6.700 1.00 0.67 H new ATOM 0 HG1 THR A 12 7.124 4.806 8.045 1.00 0.90 H new ATOM 0 HG21 THR A 12 7.933 5.728 5.980 1.00 0.69 H new ATOM 0 HG22 THR A 12 8.011 4.620 4.590 1.00 0.69 H new ATOM 0 HG23 THR A 12 6.433 5.161 5.209 1.00 0.69 H new ATOM 188 N GLN A 13 5.587 1.887 7.761 1.00 0.66 N ATOM 189 CA GLN A 13 5.121 0.957 8.826 1.00 0.69 C ATOM 190 C GLN A 13 4.057 0.022 8.255 1.00 0.65 C ATOM 191 O GLN A 13 3.760 -1.021 8.805 1.00 0.68 O ATOM 192 CB GLN A 13 4.529 1.853 9.915 1.00 0.76 C ATOM 193 CG GLN A 13 4.993 1.366 11.289 1.00 1.35 C ATOM 194 CD GLN A 13 5.123 2.559 12.237 1.00 1.77 C ATOM 195 OE1 GLN A 13 5.988 2.580 13.090 1.00 2.28 O ATOM 196 NE2 GLN A 13 4.293 3.560 12.124 1.00 2.36 N ATOM 0 H GLN A 13 5.263 2.849 7.856 1.00 0.66 H new ATOM 0 HA GLN A 13 5.924 0.334 9.219 1.00 0.69 H new ATOM 0 HB2 GLN A 13 4.841 2.886 9.760 1.00 0.76 H new ATOM 0 HB3 GLN A 13 3.440 1.837 9.861 1.00 0.76 H new ATOM 0 HG2 GLN A 13 4.281 0.645 11.690 1.00 1.35 H new ATOM 0 HG3 GLN A 13 5.950 0.853 11.200 1.00 1.35 H new ATOM 0 HE21 GLN A 13 3.567 3.542 11.408 1.00 2.36 H new ATOM 0 HE22 GLN A 13 4.370 4.360 12.752 1.00 2.36 H new ATOM 205 N ASN A 14 3.493 0.389 7.140 1.00 0.63 N ATOM 206 CA ASN A 14 2.454 -0.469 6.501 1.00 0.62 C ATOM 207 C ASN A 14 3.131 -1.608 5.751 1.00 0.56 C ATOM 208 O ASN A 14 2.909 -2.771 6.023 1.00 0.57 O ATOM 209 CB ASN A 14 1.714 0.454 5.532 1.00 0.64 C ATOM 210 CG ASN A 14 0.213 0.166 5.600 1.00 0.87 C ATOM 211 OD1 ASN A 14 -0.196 -0.974 5.695 1.00 1.56 O ATOM 212 ND2 ASN A 14 -0.632 1.160 5.554 1.00 1.51 N ATOM 0 H ASN A 14 3.707 1.251 6.639 1.00 0.63 H new ATOM 0 HA ASN A 14 1.772 -0.916 7.225 1.00 0.62 H new ATOM 0 HB2 ASN A 14 1.907 1.496 5.786 1.00 0.64 H new ATOM 0 HB3 ASN A 14 2.079 0.301 4.516 1.00 0.64 H new ATOM 0 HD21 ASN A 14 -1.635 0.979 5.598 1.00 1.51 H new ATOM 0 HD22 ASN A 14 -0.289 2.117 5.474 1.00 1.51 H new ATOM 219 N LEU A 15 3.966 -1.267 4.821 1.00 0.53 N ATOM 220 CA LEU A 15 4.698 -2.303 4.040 1.00 0.50 C ATOM 221 C LEU A 15 5.172 -3.410 4.990 1.00 0.49 C ATOM 222 O LEU A 15 4.865 -4.571 4.812 1.00 0.61 O ATOM 223 CB LEU A 15 5.879 -1.534 3.415 1.00 0.53 C ATOM 224 CG LEU A 15 7.085 -2.457 3.204 1.00 0.89 C ATOM 225 CD1 LEU A 15 6.682 -3.634 2.317 1.00 1.29 C ATOM 226 CD2 LEU A 15 8.216 -1.673 2.533 1.00 2.05 C ATOM 0 H LEU A 15 4.179 -0.304 4.561 1.00 0.53 H new ATOM 0 HA LEU A 15 4.094 -2.792 3.276 1.00 0.50 H new ATOM 0 HB2 LEU A 15 5.574 -1.104 2.461 1.00 0.53 H new ATOM 0 HB3 LEU A 15 6.161 -0.704 4.063 1.00 0.53 H new ATOM 0 HG LEU A 15 7.426 -2.833 4.168 1.00 0.89 H new ATOM 0 HD11 LEU A 15 7.541 -4.289 2.169 1.00 1.29 H new ATOM 0 HD12 LEU A 15 5.879 -4.193 2.797 1.00 1.29 H new ATOM 0 HD13 LEU A 15 6.339 -3.261 1.352 1.00 1.29 H new ATOM 0 HD21 LEU A 15 9.074 -2.329 2.383 1.00 2.05 H new ATOM 0 HD22 LEU A 15 7.875 -1.295 1.569 1.00 2.05 H new ATOM 0 HD23 LEU A 15 8.506 -0.836 3.169 1.00 2.05 H new ATOM 238 N GLY A 16 5.914 -3.051 5.999 1.00 0.54 N ATOM 239 CA GLY A 16 6.405 -4.076 6.963 1.00 0.57 C ATOM 240 C GLY A 16 5.236 -4.953 7.417 1.00 0.58 C ATOM 241 O GLY A 16 5.256 -6.157 7.267 1.00 0.56 O ATOM 0 H GLY A 16 6.202 -2.093 6.199 1.00 0.54 H new ATOM 0 HA2 GLY A 16 7.174 -4.691 6.496 1.00 0.57 H new ATOM 0 HA3 GLY A 16 6.864 -3.590 7.824 1.00 0.57 H new ATOM 245 N LYS A 17 4.217 -4.356 7.974 1.00 0.65 N ATOM 246 CA LYS A 17 3.047 -5.155 8.440 1.00 0.71 C ATOM 247 C LYS A 17 2.285 -5.738 7.252 1.00 0.67 C ATOM 248 O LYS A 17 2.389 -6.909 6.943 1.00 0.71 O ATOM 249 CB LYS A 17 2.169 -4.159 9.198 1.00 0.80 C ATOM 250 CG LYS A 17 2.550 -4.167 10.680 1.00 1.13 C ATOM 251 CD LYS A 17 3.533 -3.027 10.960 1.00 1.42 C ATOM 252 CE LYS A 17 3.664 -2.825 12.471 1.00 1.91 C ATOM 253 NZ LYS A 17 4.056 -4.159 13.005 1.00 2.45 N ATOM 0 H LYS A 17 4.144 -3.350 8.126 1.00 0.65 H new ATOM 0 HA LYS A 17 3.349 -5.998 9.062 1.00 0.71 H new ATOM 0 HB2 LYS A 17 2.296 -3.158 8.785 1.00 0.80 H new ATOM 0 HB3 LYS A 17 1.118 -4.422 9.080 1.00 0.80 H new ATOM 0 HG2 LYS A 17 1.658 -4.052 11.296 1.00 1.13 H new ATOM 0 HG3 LYS A 17 3.000 -5.123 10.946 1.00 1.13 H new ATOM 0 HD2 LYS A 17 4.507 -3.258 10.528 1.00 1.42 H new ATOM 0 HD3 LYS A 17 3.184 -2.108 10.488 1.00 1.42 H new ATOM 0 HE2 LYS A 17 4.415 -2.070 12.705 1.00 1.91 H new ATOM 0 HE3 LYS A 17 2.724 -2.486 12.907 1.00 1.91 H new ATOM 0 HZ1 LYS A 17 4.563 -4.037 13.905 1.00 2.45 H new ATOM 0 HZ2 LYS A 17 3.204 -4.734 13.163 1.00 2.45 H new ATOM 0 HZ3 LYS A 17 4.675 -4.639 12.321 1.00 2.45 H new ATOM 267 N PHE A 18 1.518 -4.922 6.600 1.00 0.66 N ATOM 268 CA PHE A 18 0.719 -5.387 5.425 1.00 0.68 C ATOM 269 C PHE A 18 1.501 -6.396 4.590 1.00 0.62 C ATOM 270 O PHE A 18 1.210 -7.576 4.586 1.00 0.73 O ATOM 271 CB PHE A 18 0.446 -4.121 4.611 1.00 0.72 C ATOM 272 CG PHE A 18 -0.869 -3.517 5.045 1.00 0.95 C ATOM 273 CD1 PHE A 18 -1.139 -3.336 6.407 1.00 1.45 C ATOM 274 CD2 PHE A 18 -1.815 -3.138 4.086 1.00 1.57 C ATOM 275 CE1 PHE A 18 -2.358 -2.776 6.809 1.00 2.06 C ATOM 276 CE2 PHE A 18 -3.033 -2.578 4.489 1.00 2.14 C ATOM 277 CZ PHE A 18 -3.305 -2.397 5.850 1.00 2.28 C ATOM 0 H PHE A 18 1.404 -3.935 6.829 1.00 0.66 H new ATOM 0 HA PHE A 18 -0.197 -5.890 5.735 1.00 0.68 H new ATOM 0 HB2 PHE A 18 1.253 -3.403 4.754 1.00 0.72 H new ATOM 0 HB3 PHE A 18 0.416 -4.359 3.548 1.00 0.72 H new ATOM 0 HD1 PHE A 18 -0.408 -3.628 7.147 1.00 1.45 H new ATOM 0 HD2 PHE A 18 -1.606 -3.277 3.036 1.00 1.57 H new ATOM 0 HE1 PHE A 18 -2.568 -2.636 7.859 1.00 2.06 H new ATOM 0 HE2 PHE A 18 -3.763 -2.285 3.749 1.00 2.14 H new ATOM 0 HZ PHE A 18 -4.245 -1.965 6.160 1.00 2.28 H new ATOM 287 N ALA A 19 2.481 -5.934 3.882 1.00 0.56 N ATOM 288 CA ALA A 19 3.293 -6.848 3.027 1.00 0.51 C ATOM 289 C ALA A 19 3.576 -8.157 3.767 1.00 0.48 C ATOM 290 O ALA A 19 3.063 -9.196 3.414 1.00 0.47 O ATOM 291 CB ALA A 19 4.592 -6.091 2.754 1.00 0.54 C ATOM 0 H ALA A 19 2.763 -4.954 3.854 1.00 0.56 H new ATOM 0 HA ALA A 19 2.777 -7.113 2.104 1.00 0.51 H new ATOM 0 HB1 ALA A 19 5.244 -6.701 2.129 1.00 0.54 H new ATOM 0 HB2 ALA A 19 4.367 -5.156 2.240 1.00 0.54 H new ATOM 0 HB3 ALA A 19 5.093 -5.875 3.698 1.00 0.54 H new ATOM 297 N VAL A 20 4.385 -8.114 4.791 1.00 0.50 N ATOM 298 CA VAL A 20 4.695 -9.364 5.548 1.00 0.51 C ATOM 299 C VAL A 20 3.423 -10.192 5.753 1.00 0.50 C ATOM 300 O VAL A 20 3.469 -11.401 5.863 1.00 0.49 O ATOM 301 CB VAL A 20 5.246 -8.886 6.890 1.00 0.61 C ATOM 302 CG1 VAL A 20 5.360 -10.074 7.848 1.00 1.39 C ATOM 303 CG2 VAL A 20 6.629 -8.266 6.682 1.00 1.43 C ATOM 0 H VAL A 20 4.844 -7.271 5.136 1.00 0.50 H new ATOM 0 HA VAL A 20 5.404 -10.001 5.019 1.00 0.51 H new ATOM 0 HB VAL A 20 4.573 -8.141 7.313 1.00 0.61 H new ATOM 0 HG11 VAL A 20 5.753 -9.733 8.806 1.00 1.39 H new ATOM 0 HG12 VAL A 20 4.375 -10.517 7.997 1.00 1.39 H new ATOM 0 HG13 VAL A 20 6.033 -10.820 7.424 1.00 1.39 H new ATOM 0 HG21 VAL A 20 7.022 -7.925 7.640 1.00 1.43 H new ATOM 0 HG22 VAL A 20 7.302 -9.011 6.258 1.00 1.43 H new ATOM 0 HG23 VAL A 20 6.549 -7.419 6.000 1.00 1.43 H new ATOM 313 N ASP A 21 2.287 -9.551 5.799 1.00 0.53 N ATOM 314 CA ASP A 21 1.014 -10.304 5.995 1.00 0.58 C ATOM 315 C ASP A 21 0.379 -10.637 4.643 1.00 0.55 C ATOM 316 O ASP A 21 0.225 -11.788 4.292 1.00 0.56 O ATOM 317 CB ASP A 21 0.113 -9.363 6.794 1.00 0.66 C ATOM 318 CG ASP A 21 0.061 -9.823 8.252 1.00 1.15 C ATOM 319 OD1 ASP A 21 0.874 -10.654 8.620 1.00 1.66 O ATOM 320 OD2 ASP A 21 -0.793 -9.337 8.976 1.00 1.91 O ATOM 0 H ASP A 21 2.185 -8.540 5.710 1.00 0.53 H new ATOM 0 HA ASP A 21 1.173 -11.251 6.511 1.00 0.58 H new ATOM 0 HB2 ASP A 21 0.493 -8.343 6.737 1.00 0.66 H new ATOM 0 HB3 ASP A 21 -0.890 -9.354 6.368 1.00 0.66 H new ATOM 325 N GLU A 22 0.009 -9.646 3.879 1.00 0.57 N ATOM 326 CA GLU A 22 -0.611 -9.936 2.555 1.00 0.57 C ATOM 327 C GLU A 22 0.380 -10.685 1.674 1.00 0.50 C ATOM 328 O GLU A 22 0.005 -11.518 0.876 1.00 0.54 O ATOM 329 CB GLU A 22 -0.979 -8.572 1.965 1.00 0.62 C ATOM 330 CG GLU A 22 -1.649 -7.715 3.041 1.00 1.02 C ATOM 331 CD GLU A 22 -3.046 -7.304 2.570 1.00 1.35 C ATOM 332 OE1 GLU A 22 -3.682 -8.101 1.901 1.00 1.80 O ATOM 333 OE2 GLU A 22 -3.454 -6.199 2.886 1.00 2.17 O ATOM 0 H GLU A 22 0.108 -8.658 4.111 1.00 0.57 H new ATOM 0 HA GLU A 22 -1.494 -10.570 2.636 1.00 0.57 H new ATOM 0 HB2 GLU A 22 -0.085 -8.072 1.591 1.00 0.62 H new ATOM 0 HB3 GLU A 22 -1.651 -8.700 1.116 1.00 0.62 H new ATOM 0 HG2 GLU A 22 -1.718 -8.273 3.975 1.00 1.02 H new ATOM 0 HG3 GLU A 22 -1.047 -6.829 3.243 1.00 1.02 H new ATOM 340 N GLU A 23 1.641 -10.425 1.838 1.00 0.44 N ATOM 341 CA GLU A 23 2.659 -11.160 1.032 1.00 0.40 C ATOM 342 C GLU A 23 2.792 -12.568 1.603 1.00 0.40 C ATOM 343 O GLU A 23 2.523 -13.544 0.932 1.00 0.41 O ATOM 344 CB GLU A 23 3.968 -10.369 1.176 1.00 0.39 C ATOM 345 CG GLU A 23 5.095 -10.954 0.290 1.00 0.76 C ATOM 346 CD GLU A 23 4.546 -11.665 -0.957 1.00 0.95 C ATOM 347 OE1 GLU A 23 3.751 -12.577 -0.803 1.00 1.64 O ATOM 348 OE2 GLU A 23 4.952 -11.297 -2.045 1.00 1.48 O ATOM 0 H GLU A 23 2.016 -9.738 2.492 1.00 0.44 H new ATOM 0 HA GLU A 23 2.391 -11.248 -0.021 1.00 0.40 H new ATOM 0 HB2 GLU A 23 3.795 -9.328 0.904 1.00 0.39 H new ATOM 0 HB3 GLU A 23 4.285 -10.377 2.219 1.00 0.39 H new ATOM 0 HG2 GLU A 23 5.766 -10.152 -0.018 1.00 0.76 H new ATOM 0 HG3 GLU A 23 5.687 -11.657 0.876 1.00 0.76 H new ATOM 355 N ASN A 24 3.158 -12.688 2.850 1.00 0.42 N ATOM 356 CA ASN A 24 3.244 -14.046 3.442 1.00 0.46 C ATOM 357 C ASN A 24 1.905 -14.730 3.198 1.00 0.52 C ATOM 358 O ASN A 24 1.841 -15.852 2.736 1.00 0.58 O ATOM 359 CB ASN A 24 3.492 -13.828 4.936 1.00 0.46 C ATOM 360 CG ASN A 24 3.750 -15.175 5.614 1.00 1.26 C ATOM 361 OD1 ASN A 24 3.009 -16.118 5.418 1.00 2.27 O ATOM 362 ND2 ASN A 24 4.776 -15.305 6.408 1.00 1.60 N ATOM 0 H ASN A 24 3.397 -11.917 3.473 1.00 0.42 H new ATOM 0 HA ASN A 24 4.033 -14.666 3.017 1.00 0.46 H new ATOM 0 HB2 ASN A 24 4.346 -13.167 5.081 1.00 0.46 H new ATOM 0 HB3 ASN A 24 2.630 -13.339 5.391 1.00 0.46 H new ATOM 0 HD21 ASN A 24 4.957 -16.199 6.865 1.00 1.60 H new ATOM 0 HD22 ASN A 24 5.398 -14.513 6.572 1.00 1.60 H new ATOM 369 N LYS A 25 0.830 -14.038 3.464 1.00 0.56 N ATOM 370 CA LYS A 25 -0.504 -14.629 3.198 1.00 0.67 C ATOM 371 C LYS A 25 -0.571 -14.984 1.720 1.00 0.74 C ATOM 372 O LYS A 25 -0.930 -16.080 1.339 1.00 0.91 O ATOM 373 CB LYS A 25 -1.514 -13.535 3.546 1.00 0.74 C ATOM 374 CG LYS A 25 -2.932 -14.099 3.452 1.00 1.11 C ATOM 375 CD LYS A 25 -3.810 -13.457 4.529 1.00 1.69 C ATOM 376 CE LYS A 25 -4.840 -14.475 5.022 1.00 2.20 C ATOM 377 NZ LYS A 25 -5.786 -13.688 5.861 1.00 2.88 N ATOM 0 H LYS A 25 0.822 -13.095 3.852 1.00 0.56 H new ATOM 0 HA LYS A 25 -0.704 -15.531 3.776 1.00 0.67 H new ATOM 0 HB2 LYS A 25 -1.327 -13.160 4.552 1.00 0.74 H new ATOM 0 HB3 LYS A 25 -1.401 -12.692 2.865 1.00 0.74 H new ATOM 0 HG2 LYS A 25 -3.348 -13.902 2.464 1.00 1.11 H new ATOM 0 HG3 LYS A 25 -2.913 -15.181 3.580 1.00 1.11 H new ATOM 0 HD2 LYS A 25 -3.193 -13.116 5.361 1.00 1.69 H new ATOM 0 HD3 LYS A 25 -4.315 -12.579 4.126 1.00 1.69 H new ATOM 0 HE2 LYS A 25 -5.355 -14.952 4.188 1.00 2.20 H new ATOM 0 HE3 LYS A 25 -4.366 -15.269 5.600 1.00 2.20 H new ATOM 0 HZ1 LYS A 25 -6.524 -14.318 6.236 1.00 2.88 H new ATOM 0 HZ2 LYS A 25 -5.269 -13.251 6.651 1.00 2.88 H new ATOM 0 HZ3 LYS A 25 -6.227 -12.945 5.283 1.00 2.88 H new ATOM 391 N ILE A 26 -0.195 -14.058 0.888 1.00 0.67 N ATOM 392 CA ILE A 26 -0.197 -14.330 -0.578 1.00 0.78 C ATOM 393 C ILE A 26 0.506 -15.671 -0.826 1.00 0.78 C ATOM 394 O ILE A 26 0.256 -16.352 -1.800 1.00 0.88 O ATOM 395 CB ILE A 26 0.564 -13.136 -1.219 1.00 0.79 C ATOM 396 CG1 ILE A 26 -0.443 -12.132 -1.791 1.00 0.93 C ATOM 397 CG2 ILE A 26 1.491 -13.587 -2.362 1.00 0.73 C ATOM 398 CD1 ILE A 26 -1.443 -12.855 -2.697 1.00 1.63 C ATOM 0 H ILE A 26 0.114 -13.124 1.157 1.00 0.67 H new ATOM 0 HA ILE A 26 -1.195 -14.411 -1.008 1.00 0.78 H new ATOM 0 HB ILE A 26 1.171 -12.683 -0.435 1.00 0.79 H new ATOM 0 HG12 ILE A 26 -0.971 -11.631 -0.980 1.00 0.93 H new ATOM 0 HG13 ILE A 26 0.080 -11.360 -2.356 1.00 0.93 H new ATOM 0 HG21 ILE A 26 2.002 -12.720 -2.780 1.00 0.73 H new ATOM 0 HG22 ILE A 26 2.228 -14.291 -1.976 1.00 0.73 H new ATOM 0 HG23 ILE A 26 0.900 -14.070 -3.140 1.00 0.73 H new ATOM 0 HD11 ILE A 26 -2.155 -12.135 -3.100 1.00 1.63 H new ATOM 0 HD12 ILE A 26 -0.910 -13.335 -3.517 1.00 1.63 H new ATOM 0 HD13 ILE A 26 -1.977 -13.610 -2.120 1.00 1.63 H new ATOM 410 N GLY A 27 1.388 -16.036 0.056 1.00 0.71 N ATOM 411 CA GLY A 27 2.128 -17.319 -0.107 1.00 0.76 C ATOM 412 C GLY A 27 3.629 -17.029 -0.182 1.00 0.77 C ATOM 413 O GLY A 27 4.385 -17.763 -0.786 1.00 1.01 O ATOM 0 H GLY A 27 1.632 -15.500 0.889 1.00 0.71 H new ATOM 0 HA2 GLY A 27 1.915 -17.984 0.730 1.00 0.76 H new ATOM 0 HA3 GLY A 27 1.799 -17.830 -1.012 1.00 0.76 H new ATOM 417 N GLN A 28 4.062 -15.960 0.430 1.00 0.75 N ATOM 418 CA GLN A 28 5.512 -15.614 0.402 1.00 0.92 C ATOM 419 C GLN A 28 6.008 -15.359 1.826 1.00 1.20 C ATOM 420 O GLN A 28 6.339 -14.249 2.192 1.00 1.87 O ATOM 421 CB GLN A 28 5.599 -14.339 -0.436 1.00 0.79 C ATOM 422 CG GLN A 28 6.968 -14.267 -1.115 1.00 1.08 C ATOM 423 CD GLN A 28 7.202 -15.540 -1.930 1.00 1.58 C ATOM 424 OE1 GLN A 28 6.508 -15.793 -2.895 1.00 2.35 O ATOM 425 NE2 GLN A 28 8.157 -16.358 -1.582 1.00 2.10 N ATOM 0 H GLN A 28 3.472 -15.310 0.949 1.00 0.75 H new ATOM 0 HA GLN A 28 6.126 -16.412 -0.015 1.00 0.92 H new ATOM 0 HB2 GLN A 28 4.808 -14.330 -1.186 1.00 0.79 H new ATOM 0 HB3 GLN A 28 5.449 -13.464 0.197 1.00 0.79 H new ATOM 0 HG2 GLN A 28 7.018 -13.393 -1.764 1.00 1.08 H new ATOM 0 HG3 GLN A 28 7.752 -14.153 -0.366 1.00 1.08 H new ATOM 0 HE21 GLN A 28 8.740 -16.146 -0.772 1.00 2.10 H new ATOM 0 HE22 GLN A 28 8.321 -17.209 -2.120 1.00 2.10 H new ATOM 486 N LEU A 32 10.795 -11.610 5.638 1.00 1.04 N ATOM 487 CA LEU A 32 10.082 -10.344 5.964 1.00 1.00 C ATOM 488 C LEU A 32 9.836 -9.543 4.687 1.00 0.89 C ATOM 489 O LEU A 32 10.171 -9.969 3.600 1.00 1.22 O ATOM 490 CB LEU A 32 11.022 -9.583 6.897 1.00 1.23 C ATOM 491 CG LEU A 32 11.456 -10.499 8.040 1.00 1.66 C ATOM 492 CD1 LEU A 32 12.777 -11.177 7.676 1.00 2.60 C ATOM 493 CD2 LEU A 32 11.639 -9.668 9.311 1.00 1.93 C ATOM 0 HA LEU A 32 9.111 -10.523 6.426 1.00 1.00 H new ATOM 0 HB2 LEU A 32 11.895 -9.233 6.345 1.00 1.23 H new ATOM 0 HB3 LEU A 32 10.521 -8.700 7.294 1.00 1.23 H new ATOM 0 HG LEU A 32 10.694 -11.260 8.209 1.00 1.66 H new ATOM 0 HD11 LEU A 32 13.087 -11.831 8.491 1.00 2.60 H new ATOM 0 HD12 LEU A 32 12.646 -11.766 6.768 1.00 2.60 H new ATOM 0 HD13 LEU A 32 13.541 -10.418 7.509 1.00 2.60 H new ATOM 0 HD21 LEU A 32 11.949 -10.318 10.129 1.00 1.93 H new ATOM 0 HD22 LEU A 32 12.402 -8.908 9.142 1.00 1.93 H new ATOM 0 HD23 LEU A 32 10.697 -9.185 9.568 1.00 1.93 H new ATOM 505 N THR A 33 9.251 -8.388 4.810 1.00 0.83 N ATOM 506 CA THR A 33 8.982 -7.561 3.604 1.00 0.70 C ATOM 507 C THR A 33 9.138 -6.078 3.948 1.00 0.77 C ATOM 508 O THR A 33 8.278 -5.268 3.667 1.00 0.95 O ATOM 509 CB THR A 33 7.534 -7.881 3.208 1.00 0.67 C ATOM 510 OG1 THR A 33 6.968 -8.804 4.131 1.00 0.82 O ATOM 511 CG2 THR A 33 7.509 -8.489 1.803 1.00 0.53 C ATOM 0 H THR A 33 8.947 -7.980 5.694 1.00 0.83 H new ATOM 0 HA THR A 33 9.674 -7.775 2.789 1.00 0.70 H new ATOM 0 HB THR A 33 6.952 -6.960 3.220 1.00 0.67 H new ATOM 0 HG1 THR A 33 6.992 -9.706 3.748 1.00 0.82 H new ATOM 0 HG21 THR A 33 6.480 -8.716 1.523 1.00 0.53 H new ATOM 0 HG22 THR A 33 7.931 -7.779 1.092 1.00 0.53 H new ATOM 0 HG23 THR A 33 8.098 -9.406 1.793 1.00 0.53 H new ATOM 519 N PHE A 34 10.238 -5.721 4.555 1.00 0.74 N ATOM 520 CA PHE A 34 10.464 -4.292 4.921 1.00 0.84 C ATOM 521 C PHE A 34 11.819 -4.130 5.616 1.00 0.84 C ATOM 522 O PHE A 34 11.893 -3.942 6.814 1.00 1.31 O ATOM 523 CB PHE A 34 9.327 -3.945 5.881 1.00 0.95 C ATOM 524 CG PHE A 34 9.596 -2.604 6.518 1.00 1.50 C ATOM 525 CD1 PHE A 34 10.038 -1.532 5.733 1.00 2.32 C ATOM 526 CD2 PHE A 34 9.404 -2.431 7.893 1.00 2.11 C ATOM 527 CE1 PHE A 34 10.288 -0.288 6.324 1.00 3.27 C ATOM 528 CE2 PHE A 34 9.654 -1.186 8.484 1.00 3.00 C ATOM 529 CZ PHE A 34 10.096 -0.115 7.699 1.00 3.48 C ATOM 0 H PHE A 34 10.991 -6.358 4.814 1.00 0.74 H new ATOM 0 HA PHE A 34 10.475 -3.640 4.048 1.00 0.84 H new ATOM 0 HB2 PHE A 34 8.379 -3.921 5.344 1.00 0.95 H new ATOM 0 HB3 PHE A 34 9.239 -4.713 6.649 1.00 0.95 H new ATOM 0 HD1 PHE A 34 10.186 -1.665 4.671 1.00 2.32 H new ATOM 0 HD2 PHE A 34 9.063 -3.258 8.499 1.00 2.11 H new ATOM 0 HE1 PHE A 34 10.629 0.539 5.718 1.00 3.27 H new ATOM 0 HE2 PHE A 34 9.506 -1.053 9.545 1.00 3.00 H new ATOM 0 HZ PHE A 34 10.289 0.845 8.155 1.00 3.48 H new ATOM 539 N ASN A 35 12.891 -4.203 4.875 1.00 0.77 N ATOM 540 CA ASN A 35 14.238 -4.055 5.496 1.00 0.94 C ATOM 541 C ASN A 35 15.005 -2.898 4.848 1.00 0.80 C ATOM 542 O ASN A 35 15.608 -2.088 5.524 1.00 0.88 O ATOM 543 CB ASN A 35 14.946 -5.385 5.226 1.00 1.37 C ATOM 544 CG ASN A 35 16.343 -5.355 5.846 1.00 1.93 C ATOM 545 OD1 ASN A 35 16.487 -5.405 7.051 1.00 2.40 O ATOM 546 ND2 ASN A 35 17.388 -5.275 5.068 1.00 2.52 N ATOM 0 H ASN A 35 12.892 -4.359 3.867 1.00 0.77 H new ATOM 0 HA ASN A 35 14.176 -3.832 6.561 1.00 0.94 H new ATOM 0 HB2 ASN A 35 14.368 -6.208 5.646 1.00 1.37 H new ATOM 0 HB3 ASN A 35 15.017 -5.560 4.152 1.00 1.37 H new ATOM 0 HD21 ASN A 35 18.324 -5.255 5.472 1.00 2.52 H new ATOM 0 HD22 ASN A 35 17.268 -5.233 4.056 1.00 2.52 H new ATOM 553 N LYS A 36 15.000 -2.819 3.544 1.00 0.78 N ATOM 554 CA LYS A 36 15.745 -1.720 2.863 1.00 0.80 C ATOM 555 C LYS A 36 15.073 -0.360 3.115 1.00 0.70 C ATOM 556 O LYS A 36 15.342 0.287 4.107 1.00 0.77 O ATOM 557 CB LYS A 36 15.719 -2.082 1.378 1.00 0.96 C ATOM 558 CG LYS A 36 17.038 -2.757 1.000 1.00 1.68 C ATOM 559 CD LYS A 36 17.950 -1.744 0.304 1.00 2.22 C ATOM 560 CE LYS A 36 18.829 -1.048 1.346 1.00 2.89 C ATOM 561 NZ LYS A 36 20.207 -1.101 0.783 1.00 3.51 N ATOM 0 H LYS A 36 14.514 -3.466 2.923 1.00 0.78 H new ATOM 0 HA LYS A 36 16.764 -1.625 3.238 1.00 0.80 H new ATOM 0 HB2 LYS A 36 14.883 -2.749 1.169 1.00 0.96 H new ATOM 0 HB3 LYS A 36 15.570 -1.186 0.776 1.00 0.96 H new ATOM 0 HG2 LYS A 36 17.527 -3.149 1.892 1.00 1.68 H new ATOM 0 HG3 LYS A 36 16.849 -3.605 0.341 1.00 1.68 H new ATOM 0 HD2 LYS A 36 18.573 -2.247 -0.435 1.00 2.22 H new ATOM 0 HD3 LYS A 36 17.351 -1.008 -0.232 1.00 2.22 H new ATOM 0 HE2 LYS A 36 18.508 -0.019 1.509 1.00 2.89 H new ATOM 0 HE3 LYS A 36 18.776 -1.555 2.309 1.00 2.89 H new ATOM 0 HZ1 LYS A 36 20.869 -0.643 1.441 1.00 3.51 H new ATOM 0 HZ2 LYS A 36 20.488 -2.093 0.645 1.00 3.51 H new ATOM 0 HZ3 LYS A 36 20.228 -0.605 -0.131 1.00 3.51 H new ATOM 575 N VAL A 37 14.221 0.097 2.228 1.00 0.64 N ATOM 576 CA VAL A 37 13.579 1.430 2.449 1.00 0.66 C ATOM 577 C VAL A 37 12.273 1.570 1.648 1.00 0.52 C ATOM 578 O VAL A 37 11.940 0.743 0.824 1.00 0.48 O ATOM 579 CB VAL A 37 14.623 2.433 1.950 1.00 0.85 C ATOM 580 CG1 VAL A 37 13.975 3.800 1.722 1.00 0.92 C ATOM 581 CG2 VAL A 37 15.737 2.569 2.989 1.00 1.12 C ATOM 0 H VAL A 37 13.946 -0.387 1.373 1.00 0.64 H new ATOM 0 HA VAL A 37 13.304 1.582 3.493 1.00 0.66 H new ATOM 0 HB VAL A 37 15.038 2.073 1.008 1.00 0.85 H new ATOM 0 HG11 VAL A 37 14.727 4.505 1.367 1.00 0.92 H new ATOM 0 HG12 VAL A 37 13.184 3.708 0.977 1.00 0.92 H new ATOM 0 HG13 VAL A 37 13.551 4.163 2.659 1.00 0.92 H new ATOM 0 HG21 VAL A 37 16.480 3.283 2.634 1.00 1.12 H new ATOM 0 HG22 VAL A 37 15.316 2.922 3.930 1.00 1.12 H new ATOM 0 HG23 VAL A 37 16.210 1.599 3.144 1.00 1.12 H new ATOM 591 N ILE A 38 11.546 2.634 1.888 1.00 0.56 N ATOM 592 CA ILE A 38 10.265 2.874 1.153 1.00 0.50 C ATOM 593 C ILE A 38 10.212 4.332 0.688 1.00 0.52 C ATOM 594 O ILE A 38 9.662 5.186 1.353 1.00 0.67 O ATOM 595 CB ILE A 38 9.151 2.590 2.173 1.00 0.62 C ATOM 596 CG1 ILE A 38 7.781 2.945 1.523 1.00 0.91 C ATOM 597 CG2 ILE A 38 9.414 3.399 3.460 1.00 1.20 C ATOM 598 CD1 ILE A 38 6.860 3.737 2.459 1.00 1.66 C ATOM 0 H ILE A 38 11.788 3.354 2.569 1.00 0.56 H new ATOM 0 HA ILE A 38 10.165 2.244 0.269 1.00 0.50 H new ATOM 0 HB ILE A 38 9.133 1.536 2.451 1.00 0.62 H new ATOM 0 HG12 ILE A 38 7.955 3.525 0.617 1.00 0.91 H new ATOM 0 HG13 ILE A 38 7.279 2.026 1.221 1.00 0.91 H new ATOM 0 HG21 ILE A 38 8.624 3.198 4.184 1.00 1.20 H new ATOM 0 HG22 ILE A 38 10.376 3.108 3.882 1.00 1.20 H new ATOM 0 HG23 ILE A 38 9.428 4.463 3.224 1.00 1.20 H new ATOM 0 HD11 ILE A 38 5.922 3.954 1.948 1.00 1.66 H new ATOM 0 HD12 ILE A 38 6.658 3.149 3.354 1.00 1.66 H new ATOM 0 HD13 ILE A 38 7.344 4.672 2.740 1.00 1.66 H new ATOM 610 N ARG A 39 10.789 4.626 -0.448 1.00 0.52 N ATOM 611 CA ARG A 39 10.774 6.034 -0.943 1.00 0.54 C ATOM 612 C ARG A 39 9.741 6.207 -2.062 1.00 0.53 C ATOM 613 O ARG A 39 8.885 7.066 -1.975 1.00 0.57 O ATOM 614 CB ARG A 39 12.190 6.297 -1.459 1.00 0.57 C ATOM 615 CG ARG A 39 12.756 7.547 -0.782 1.00 1.04 C ATOM 616 CD ARG A 39 14.143 7.852 -1.352 1.00 1.50 C ATOM 617 NE ARG A 39 14.166 9.329 -1.538 1.00 1.89 N ATOM 618 CZ ARG A 39 15.225 9.909 -2.031 1.00 2.39 C ATOM 619 NH1 ARG A 39 15.994 9.263 -2.864 1.00 2.75 N ATOM 620 NH2 ARG A 39 15.516 11.135 -1.692 1.00 3.03 N ATOM 0 H ARG A 39 11.267 3.956 -1.051 1.00 0.52 H new ATOM 0 HA ARG A 39 10.495 6.737 -0.158 1.00 0.54 H new ATOM 0 HB2 ARG A 39 12.829 5.438 -1.253 1.00 0.57 H new ATOM 0 HB3 ARG A 39 12.175 6.431 -2.541 1.00 0.57 H new ATOM 0 HG2 ARG A 39 12.090 8.395 -0.944 1.00 1.04 H new ATOM 0 HG3 ARG A 39 12.820 7.393 0.295 1.00 1.04 H new ATOM 0 HD2 ARG A 39 14.930 7.528 -0.671 1.00 1.50 H new ATOM 0 HD3 ARG A 39 14.305 7.333 -2.297 1.00 1.50 H new ATOM 0 HE ARG A 39 13.353 9.888 -1.280 1.00 1.89 H new ATOM 0 HH11 ARG A 39 15.767 8.305 -3.129 1.00 2.75 H new ATOM 0 HH12 ARG A 39 16.822 9.716 -3.250 1.00 2.75 H new ATOM 0 HH21 ARG A 39 14.915 11.640 -1.041 1.00 3.03 H new ATOM 0 HH22 ARG A 39 16.344 11.588 -2.078 1.00 3.03 H new ATOM 634 N PRO A 40 9.841 5.390 -3.083 1.00 0.51 N ATOM 635 CA PRO A 40 8.889 5.481 -4.205 1.00 0.53 C ATOM 636 C PRO A 40 7.605 4.709 -3.878 1.00 0.51 C ATOM 637 O PRO A 40 7.145 3.873 -4.634 1.00 0.55 O ATOM 638 CB PRO A 40 9.651 4.857 -5.369 1.00 0.57 C ATOM 639 CG PRO A 40 10.679 3.952 -4.754 1.00 0.56 C ATOM 640 CD PRO A 40 10.826 4.323 -3.294 1.00 0.51 C ATOM 0 HA PRO A 40 8.567 6.499 -4.425 1.00 0.53 H new ATOM 0 HB2 PRO A 40 8.979 4.298 -6.020 1.00 0.57 H new ATOM 0 HB3 PRO A 40 10.124 5.624 -5.982 1.00 0.57 H new ATOM 0 HG2 PRO A 40 10.375 2.910 -4.852 1.00 0.56 H new ATOM 0 HG3 PRO A 40 11.633 4.056 -5.270 1.00 0.56 H new ATOM 0 HD2 PRO A 40 10.630 3.469 -2.646 1.00 0.51 H new ATOM 0 HD3 PRO A 40 11.836 4.666 -3.072 1.00 0.51 H new ATOM 648 N CYS A 41 7.024 4.994 -2.749 1.00 0.49 N ATOM 649 CA CYS A 41 5.766 4.294 -2.354 1.00 0.51 C ATOM 650 C CYS A 41 4.556 5.216 -2.552 1.00 0.50 C ATOM 651 O CYS A 41 4.400 6.214 -1.872 1.00 0.71 O ATOM 652 CB CYS A 41 5.944 3.944 -0.874 1.00 0.61 C ATOM 653 SG CYS A 41 6.322 5.441 0.073 1.00 1.64 S ATOM 0 H CYS A 41 7.365 5.683 -2.078 1.00 0.49 H new ATOM 0 HA CYS A 41 5.586 3.405 -2.959 1.00 0.51 H new ATOM 0 HB2 CYS A 41 5.036 3.480 -0.489 1.00 0.61 H new ATOM 0 HB3 CYS A 41 6.748 3.217 -0.757 1.00 0.61 H new ATOM 0 HG CYS A 41 5.923 6.486 -0.590 1.00 1.64 H new ATOM 659 N MET A 42 3.696 4.883 -3.478 1.00 0.48 N ATOM 660 CA MET A 42 2.490 5.728 -3.725 1.00 0.53 C ATOM 661 C MET A 42 1.224 4.951 -3.352 1.00 0.51 C ATOM 662 O MET A 42 1.284 3.798 -2.975 1.00 0.63 O ATOM 663 CB MET A 42 2.513 6.023 -5.224 1.00 0.60 C ATOM 664 CG MET A 42 3.629 7.023 -5.532 1.00 0.77 C ATOM 665 SD MET A 42 3.145 8.053 -6.938 1.00 1.65 S ATOM 666 CE MET A 42 4.145 7.213 -8.191 1.00 2.10 C ATOM 0 H MET A 42 3.777 4.060 -4.076 1.00 0.48 H new ATOM 0 HA MET A 42 2.494 6.642 -3.131 1.00 0.53 H new ATOM 0 HB2 MET A 42 2.672 5.101 -5.784 1.00 0.60 H new ATOM 0 HB3 MET A 42 1.551 6.427 -5.540 1.00 0.60 H new ATOM 0 HG2 MET A 42 3.823 7.647 -4.660 1.00 0.77 H new ATOM 0 HG3 MET A 42 4.555 6.493 -5.757 1.00 0.77 H new ATOM 0 HE1 MET A 42 3.997 7.694 -9.158 1.00 2.10 H new ATOM 0 HE2 MET A 42 5.198 7.270 -7.915 1.00 2.10 H new ATOM 0 HE3 MET A 42 3.843 6.168 -8.256 1.00 2.10 H new ATOM 676 N LYS A 43 0.077 5.569 -3.451 1.00 0.49 N ATOM 677 CA LYS A 43 -1.178 4.846 -3.096 1.00 0.49 C ATOM 678 C LYS A 43 -2.387 5.468 -3.800 1.00 0.56 C ATOM 679 O LYS A 43 -2.358 6.606 -4.225 1.00 0.80 O ATOM 680 CB LYS A 43 -1.306 5.000 -1.580 1.00 0.64 C ATOM 681 CG LYS A 43 -2.594 4.326 -1.104 1.00 0.77 C ATOM 682 CD LYS A 43 -3.713 5.365 -1.020 1.00 0.93 C ATOM 683 CE LYS A 43 -4.546 5.116 0.241 1.00 1.28 C ATOM 684 NZ LYS A 43 -4.887 6.474 0.749 1.00 1.63 N ATOM 0 H LYS A 43 -0.045 6.534 -3.759 1.00 0.49 H new ATOM 0 HA LYS A 43 -1.145 3.801 -3.405 1.00 0.49 H new ATOM 0 HB2 LYS A 43 -0.445 4.552 -1.085 1.00 0.64 H new ATOM 0 HB3 LYS A 43 -1.315 6.056 -1.311 1.00 0.64 H new ATOM 0 HG2 LYS A 43 -2.875 3.528 -1.792 1.00 0.77 H new ATOM 0 HG3 LYS A 43 -2.437 3.866 -0.129 1.00 0.77 H new ATOM 0 HD2 LYS A 43 -3.290 6.369 -0.997 1.00 0.93 H new ATOM 0 HD3 LYS A 43 -4.346 5.306 -1.905 1.00 0.93 H new ATOM 0 HE2 LYS A 43 -5.444 4.542 0.014 1.00 1.28 H new ATOM 0 HE3 LYS A 43 -3.983 4.547 0.981 1.00 1.28 H new ATOM 0 HZ1 LYS A 43 -5.458 6.388 1.614 1.00 1.63 H new ATOM 0 HZ2 LYS A 43 -4.012 6.995 0.963 1.00 1.63 H new ATOM 0 HZ3 LYS A 43 -5.429 6.989 0.026 1.00 1.63 H new ATOM 698 N LYS A 44 -3.451 4.721 -3.922 1.00 0.52 N ATOM 699 CA LYS A 44 -4.671 5.252 -4.592 1.00 0.65 C ATOM 700 C LYS A 44 -5.912 4.519 -4.074 1.00 0.59 C ATOM 701 O LYS A 44 -5.966 3.304 -4.053 1.00 0.74 O ATOM 702 CB LYS A 44 -4.463 4.968 -6.081 1.00 0.76 C ATOM 703 CG LYS A 44 -5.434 5.817 -6.904 1.00 1.30 C ATOM 704 CD LYS A 44 -6.036 4.966 -8.023 1.00 1.50 C ATOM 705 CE LYS A 44 -5.635 5.548 -9.380 1.00 1.99 C ATOM 706 NZ LYS A 44 -4.564 4.644 -9.884 1.00 2.51 N ATOM 0 H LYS A 44 -3.527 3.761 -3.585 1.00 0.52 H new ATOM 0 HA LYS A 44 -4.821 6.314 -4.399 1.00 0.65 H new ATOM 0 HB2 LYS A 44 -3.435 5.194 -6.365 1.00 0.76 H new ATOM 0 HB3 LYS A 44 -4.625 3.910 -6.286 1.00 0.76 H new ATOM 0 HG2 LYS A 44 -6.225 6.207 -6.264 1.00 1.30 H new ATOM 0 HG3 LYS A 44 -4.914 6.677 -7.327 1.00 1.30 H new ATOM 0 HD2 LYS A 44 -5.687 3.937 -7.939 1.00 1.50 H new ATOM 0 HD3 LYS A 44 -7.122 4.943 -7.932 1.00 1.50 H new ATOM 0 HE2 LYS A 44 -6.483 5.575 -10.064 1.00 1.99 H new ATOM 0 HE3 LYS A 44 -5.273 6.571 -9.280 1.00 1.99 H new ATOM 0 HZ1 LYS A 44 -4.236 4.978 -10.813 1.00 2.51 H new ATOM 0 HZ2 LYS A 44 -3.767 4.643 -9.216 1.00 2.51 H new ATOM 0 HZ3 LYS A 44 -4.939 3.679 -9.976 1.00 2.51 H new ATOM 720 N THR A 45 -6.908 5.246 -3.649 1.00 0.60 N ATOM 721 CA THR A 45 -8.142 4.589 -3.128 1.00 0.54 C ATOM 722 C THR A 45 -9.348 4.979 -3.987 1.00 0.56 C ATOM 723 O THR A 45 -9.419 6.069 -4.519 1.00 0.58 O ATOM 724 CB THR A 45 -8.293 5.121 -1.694 1.00 0.56 C ATOM 725 OG1 THR A 45 -7.423 4.400 -0.835 1.00 0.62 O ATOM 726 CG2 THR A 45 -9.738 4.951 -1.209 1.00 0.55 C ATOM 0 H THR A 45 -6.922 6.266 -3.639 1.00 0.60 H new ATOM 0 HA THR A 45 -8.081 3.501 -3.152 1.00 0.54 H new ATOM 0 HB THR A 45 -8.039 6.181 -1.681 1.00 0.56 H new ATOM 0 HG1 THR A 45 -7.931 4.052 -0.072 1.00 0.62 H new ATOM 0 HG21 THR A 45 -9.828 5.333 -0.192 1.00 0.55 H new ATOM 0 HG22 THR A 45 -10.410 5.505 -1.865 1.00 0.55 H new ATOM 0 HG23 THR A 45 -10.005 3.894 -1.225 1.00 0.55 H new ATOM 734 N ILE A 46 -10.306 4.101 -4.106 1.00 0.60 N ATOM 735 CA ILE A 46 -11.517 4.424 -4.905 1.00 0.68 C ATOM 736 C ILE A 46 -12.718 4.449 -3.969 1.00 0.64 C ATOM 737 O ILE A 46 -13.770 3.918 -4.260 1.00 0.95 O ATOM 738 CB ILE A 46 -11.647 3.293 -5.918 1.00 0.78 C ATOM 739 CG1 ILE A 46 -12.876 3.544 -6.793 1.00 1.51 C ATOM 740 CG2 ILE A 46 -11.810 1.968 -5.174 1.00 1.33 C ATOM 741 CD1 ILE A 46 -12.429 4.074 -8.157 1.00 2.00 C ATOM 0 H ILE A 46 -10.300 3.173 -3.683 1.00 0.60 H new ATOM 0 HA ILE A 46 -11.456 5.391 -5.405 1.00 0.68 H new ATOM 0 HB ILE A 46 -10.756 3.251 -6.544 1.00 0.78 H new ATOM 0 HG12 ILE A 46 -13.442 2.621 -6.917 1.00 1.51 H new ATOM 0 HG13 ILE A 46 -13.539 4.262 -6.311 1.00 1.51 H new ATOM 0 HG21 ILE A 46 -11.903 1.155 -5.894 1.00 1.33 H new ATOM 0 HG22 ILE A 46 -10.938 1.795 -4.543 1.00 1.33 H new ATOM 0 HG23 ILE A 46 -12.705 2.007 -4.553 1.00 1.33 H new ATOM 0 HD11 ILE A 46 -13.304 4.253 -8.782 1.00 2.00 H new ATOM 0 HD12 ILE A 46 -11.881 5.007 -8.023 1.00 2.00 H new ATOM 0 HD13 ILE A 46 -11.783 3.340 -8.639 1.00 2.00 H new ATOM 898 N GLY A 55 -13.275 1.574 -2.000 1.00 0.50 N ATOM 899 CA GLY A 55 -12.105 0.684 -2.250 1.00 0.61 C ATOM 900 C GLY A 55 -10.837 1.279 -1.642 1.00 0.53 C ATOM 901 O GLY A 55 -10.784 2.443 -1.303 1.00 0.58 O ATOM 0 HA2 GLY A 55 -12.292 -0.301 -1.822 1.00 0.61 H new ATOM 0 HA3 GLY A 55 -11.970 0.545 -3.323 1.00 0.61 H new ATOM 905 N TYR A 56 -9.811 0.481 -1.501 1.00 0.64 N ATOM 906 CA TYR A 56 -8.541 0.994 -0.915 1.00 0.62 C ATOM 907 C TYR A 56 -7.359 0.125 -1.357 1.00 0.67 C ATOM 908 O TYR A 56 -7.031 -0.863 -0.730 1.00 0.93 O ATOM 909 CB TYR A 56 -8.738 0.901 0.599 1.00 0.75 C ATOM 910 CG TYR A 56 -7.574 1.561 1.299 1.00 1.14 C ATOM 911 CD1 TYR A 56 -6.373 0.862 1.471 1.00 1.99 C ATOM 912 CD2 TYR A 56 -7.697 2.871 1.778 1.00 1.67 C ATOM 913 CE1 TYR A 56 -5.294 1.474 2.121 1.00 2.87 C ATOM 914 CE2 TYR A 56 -6.618 3.483 2.427 1.00 2.43 C ATOM 915 CZ TYR A 56 -5.416 2.784 2.599 1.00 2.95 C ATOM 916 OH TYR A 56 -4.353 3.388 3.238 1.00 3.91 O ATOM 0 H TYR A 56 -9.799 -0.504 -1.767 1.00 0.64 H new ATOM 0 HA TYR A 56 -8.321 2.012 -1.237 1.00 0.62 H new ATOM 0 HB2 TYR A 56 -9.671 1.386 0.886 1.00 0.75 H new ATOM 0 HB3 TYR A 56 -8.815 -0.143 0.903 1.00 0.75 H new ATOM 0 HD1 TYR A 56 -6.279 -0.149 1.103 1.00 1.99 H new ATOM 0 HD2 TYR A 56 -8.624 3.409 1.647 1.00 1.67 H new ATOM 0 HE1 TYR A 56 -4.367 0.935 2.254 1.00 2.87 H new ATOM 0 HE2 TYR A 56 -6.712 4.494 2.795 1.00 2.43 H new ATOM 0 HH TYR A 56 -4.605 4.296 3.505 1.00 3.91 H new ATOM 926 N GLU A 57 -6.711 0.495 -2.427 1.00 0.65 N ATOM 927 CA GLU A 57 -5.541 -0.294 -2.910 1.00 0.68 C ATOM 928 C GLU A 57 -4.345 0.644 -3.070 1.00 0.62 C ATOM 929 O GLU A 57 -4.483 1.845 -2.960 1.00 0.77 O ATOM 930 CB GLU A 57 -5.971 -0.856 -4.266 1.00 0.75 C ATOM 931 CG GLU A 57 -6.423 0.289 -5.174 1.00 1.49 C ATOM 932 CD GLU A 57 -6.697 -0.250 -6.578 1.00 2.08 C ATOM 933 OE1 GLU A 57 -5.919 -1.069 -7.040 1.00 2.59 O ATOM 934 OE2 GLU A 57 -7.680 0.165 -7.170 1.00 2.63 O ATOM 0 H GLU A 57 -6.942 1.313 -2.990 1.00 0.65 H new ATOM 0 HA GLU A 57 -5.250 -1.090 -2.225 1.00 0.68 H new ATOM 0 HB2 GLU A 57 -5.143 -1.395 -4.727 1.00 0.75 H new ATOM 0 HB3 GLU A 57 -6.783 -1.571 -4.134 1.00 0.75 H new ATOM 0 HG2 GLU A 57 -7.322 0.754 -4.770 1.00 1.49 H new ATOM 0 HG3 GLU A 57 -5.655 1.061 -5.213 1.00 1.49 H new ATOM 941 N TYR A 58 -3.173 0.130 -3.329 1.00 0.54 N ATOM 942 CA TYR A 58 -2.015 1.069 -3.486 1.00 0.61 C ATOM 943 C TYR A 58 -0.812 0.437 -4.175 1.00 0.50 C ATOM 944 O TYR A 58 -0.682 -0.768 -4.284 1.00 0.50 O ATOM 945 CB TYR A 58 -1.631 1.512 -2.064 1.00 0.85 C ATOM 946 CG TYR A 58 -0.843 0.438 -1.323 1.00 0.58 C ATOM 947 CD1 TYR A 58 0.456 0.064 -1.724 1.00 1.32 C ATOM 948 CD2 TYR A 58 -1.414 -0.166 -0.201 1.00 1.21 C ATOM 949 CE1 TYR A 58 1.157 -0.909 -1.000 1.00 1.60 C ATOM 950 CE2 TYR A 58 -0.712 -1.140 0.517 1.00 1.42 C ATOM 951 CZ TYR A 58 0.574 -1.510 0.118 1.00 1.30 C ATOM 952 OH TYR A 58 1.267 -2.468 0.828 1.00 1.82 O ATOM 0 H TYR A 58 -2.966 -0.863 -3.436 1.00 0.54 H new ATOM 0 HA TYR A 58 -2.310 1.902 -4.124 1.00 0.61 H new ATOM 0 HB2 TYR A 58 -1.038 2.425 -2.117 1.00 0.85 H new ATOM 0 HB3 TYR A 58 -2.534 1.751 -1.503 1.00 0.85 H new ATOM 0 HD1 TYR A 58 0.910 0.527 -2.588 1.00 1.32 H new ATOM 0 HD2 TYR A 58 -2.406 0.121 0.115 1.00 1.21 H new ATOM 0 HE1 TYR A 58 2.152 -1.196 -1.307 1.00 1.60 H new ATOM 0 HE2 TYR A 58 -1.165 -1.606 1.380 1.00 1.42 H new ATOM 0 HH TYR A 58 0.717 -2.782 1.576 1.00 1.82 H new ATOM 962 N GLN A 59 0.097 1.283 -4.585 1.00 0.49 N ATOM 963 CA GLN A 59 1.353 0.823 -5.223 1.00 0.43 C ATOM 964 C GLN A 59 2.520 1.317 -4.365 1.00 0.40 C ATOM 965 O GLN A 59 2.825 2.493 -4.333 1.00 0.47 O ATOM 966 CB GLN A 59 1.371 1.479 -6.604 1.00 0.52 C ATOM 967 CG GLN A 59 0.218 0.932 -7.446 1.00 1.35 C ATOM 968 CD GLN A 59 0.108 1.731 -8.746 1.00 1.51 C ATOM 969 OE1 GLN A 59 0.695 2.786 -8.874 1.00 2.17 O ATOM 970 NE2 GLN A 59 -0.626 1.270 -9.721 1.00 1.81 N ATOM 0 H GLN A 59 0.013 2.296 -4.499 1.00 0.49 H new ATOM 0 HA GLN A 59 1.428 -0.261 -5.313 1.00 0.43 H new ATOM 0 HB2 GLN A 59 1.281 2.561 -6.505 1.00 0.52 H new ATOM 0 HB3 GLN A 59 2.322 1.282 -7.099 1.00 0.52 H new ATOM 0 HG2 GLN A 59 0.385 -0.122 -7.668 1.00 1.35 H new ATOM 0 HG3 GLN A 59 -0.716 0.996 -6.888 1.00 1.35 H new ATOM 0 HE21 GLN A 59 -1.119 0.384 -9.613 1.00 1.81 H new ATOM 0 HE22 GLN A 59 -0.707 1.796 -10.591 1.00 1.81 H new ATOM 979 N LEU A 60 3.161 0.434 -3.659 1.00 0.38 N ATOM 980 CA LEU A 60 4.292 0.847 -2.787 1.00 0.41 C ATOM 981 C LEU A 60 5.598 0.417 -3.429 1.00 0.35 C ATOM 982 O LEU A 60 6.243 -0.516 -2.996 1.00 0.32 O ATOM 983 CB LEU A 60 4.068 0.110 -1.464 1.00 0.47 C ATOM 984 CG LEU A 60 5.256 0.336 -0.526 1.00 0.55 C ATOM 985 CD1 LEU A 60 4.787 1.073 0.731 1.00 0.68 C ATOM 986 CD2 LEU A 60 5.848 -1.015 -0.121 1.00 0.71 C ATOM 0 H LEU A 60 2.949 -0.564 -3.648 1.00 0.38 H new ATOM 0 HA LEU A 60 4.340 1.925 -2.637 1.00 0.41 H new ATOM 0 HB2 LEU A 60 3.151 0.464 -0.993 1.00 0.47 H new ATOM 0 HB3 LEU A 60 3.940 -0.956 -1.650 1.00 0.47 H new ATOM 0 HG LEU A 60 6.011 0.932 -1.039 1.00 0.55 H new ATOM 0 HD11 LEU A 60 5.635 1.232 1.397 1.00 0.68 H new ATOM 0 HD12 LEU A 60 4.360 2.036 0.450 1.00 0.68 H new ATOM 0 HD13 LEU A 60 4.032 0.476 1.242 1.00 0.68 H new ATOM 0 HD21 LEU A 60 6.694 -0.856 0.547 1.00 0.71 H new ATOM 0 HD22 LEU A 60 5.088 -1.607 0.390 1.00 0.71 H new ATOM 0 HD23 LEU A 60 6.184 -1.547 -1.011 1.00 0.71 H new ATOM 998 N TYR A 61 5.993 1.097 -4.460 1.00 0.38 N ATOM 999 CA TYR A 61 7.253 0.737 -5.136 1.00 0.37 C ATOM 1000 C TYR A 61 8.409 1.092 -4.202 1.00 0.35 C ATOM 1001 O TYR A 61 8.640 2.241 -3.888 1.00 0.38 O ATOM 1002 CB TYR A 61 7.212 1.563 -6.415 1.00 0.43 C ATOM 1003 CG TYR A 61 8.599 1.734 -6.996 1.00 0.60 C ATOM 1004 CD1 TYR A 61 9.602 0.796 -6.723 1.00 0.67 C ATOM 1005 CD2 TYR A 61 8.875 2.834 -7.817 1.00 1.39 C ATOM 1006 CE1 TYR A 61 10.881 0.961 -7.270 1.00 0.79 C ATOM 1007 CE2 TYR A 61 10.153 2.998 -8.362 1.00 1.73 C ATOM 1008 CZ TYR A 61 11.156 2.062 -8.089 1.00 1.27 C ATOM 1009 OH TYR A 61 12.416 2.227 -8.627 1.00 1.63 O ATOM 0 H TYR A 61 5.493 1.890 -4.863 1.00 0.38 H new ATOM 0 HA TYR A 61 7.382 -0.319 -5.374 1.00 0.37 H new ATOM 0 HB2 TYR A 61 6.565 1.077 -7.145 1.00 0.43 H new ATOM 0 HB3 TYR A 61 6.778 2.541 -6.207 1.00 0.43 H new ATOM 0 HD1 TYR A 61 9.390 -0.054 -6.091 1.00 0.67 H new ATOM 0 HD2 TYR A 61 8.101 3.556 -8.030 1.00 1.39 H new ATOM 0 HE1 TYR A 61 11.655 0.238 -7.060 1.00 0.79 H new ATOM 0 HE2 TYR A 61 10.365 3.848 -8.994 1.00 1.73 H new ATOM 0 HH TYR A 61 12.435 3.042 -9.171 1.00 1.63 H new ATOM 1019 N VAL A 62 9.093 0.094 -3.711 1.00 0.32 N ATOM 1020 CA VAL A 62 10.199 0.326 -2.745 1.00 0.33 C ATOM 1021 C VAL A 62 11.146 -0.866 -2.761 1.00 0.34 C ATOM 1022 O VAL A 62 11.234 -1.601 -3.726 1.00 0.36 O ATOM 1023 CB VAL A 62 9.500 0.397 -1.389 1.00 0.35 C ATOM 1024 CG1 VAL A 62 8.442 1.499 -1.406 1.00 0.42 C ATOM 1025 CG2 VAL A 62 8.827 -0.943 -1.097 1.00 0.36 C ATOM 0 H VAL A 62 8.928 -0.885 -3.943 1.00 0.32 H new ATOM 0 HA VAL A 62 10.780 1.220 -2.973 1.00 0.33 H new ATOM 0 HB VAL A 62 10.237 0.618 -0.617 1.00 0.35 H new ATOM 0 HG11 VAL A 62 7.948 1.544 -0.436 1.00 0.42 H new ATOM 0 HG12 VAL A 62 8.918 2.457 -1.615 1.00 0.42 H new ATOM 0 HG13 VAL A 62 7.705 1.284 -2.179 1.00 0.42 H new ATOM 0 HG21 VAL A 62 8.327 -0.896 -0.130 1.00 0.36 H new ATOM 0 HG22 VAL A 62 8.094 -1.159 -1.874 1.00 0.36 H new ATOM 0 HG23 VAL A 62 9.579 -1.732 -1.079 1.00 0.36 H new ATOM 1035 N TYR A 63 11.824 -1.077 -1.679 1.00 0.38 N ATOM 1036 CA TYR A 63 12.744 -2.238 -1.585 1.00 0.44 C ATOM 1037 C TYR A 63 12.808 -2.713 -0.139 1.00 0.52 C ATOM 1038 O TYR A 63 13.016 -1.937 0.773 1.00 0.65 O ATOM 1039 CB TYR A 63 14.111 -1.732 -2.044 1.00 0.52 C ATOM 1040 CG TYR A 63 15.112 -2.870 -2.019 1.00 0.61 C ATOM 1041 CD1 TYR A 63 14.679 -4.207 -2.068 1.00 0.85 C ATOM 1042 CD2 TYR A 63 16.479 -2.585 -1.954 1.00 1.11 C ATOM 1043 CE1 TYR A 63 15.616 -5.247 -2.051 1.00 0.84 C ATOM 1044 CE2 TYR A 63 17.416 -3.627 -1.939 1.00 1.28 C ATOM 1045 CZ TYR A 63 16.983 -4.957 -1.986 1.00 0.90 C ATOM 1046 OH TYR A 63 17.907 -5.983 -1.971 1.00 1.05 O ATOM 0 H TYR A 63 11.782 -0.491 -0.845 1.00 0.38 H new ATOM 0 HA TYR A 63 12.413 -3.076 -2.198 1.00 0.44 H new ATOM 0 HB2 TYR A 63 14.038 -1.321 -3.051 1.00 0.52 H new ATOM 0 HB3 TYR A 63 14.448 -0.924 -1.394 1.00 0.52 H new ATOM 0 HD1 TYR A 63 13.624 -4.431 -2.119 1.00 0.85 H new ATOM 0 HD2 TYR A 63 16.814 -1.559 -1.915 1.00 1.11 H new ATOM 0 HE1 TYR A 63 15.283 -6.274 -2.088 1.00 0.84 H new ATOM 0 HE2 TYR A 63 18.472 -3.404 -1.891 1.00 1.28 H new ATOM 0 HH TYR A 63 18.811 -5.608 -1.925 1.00 1.05 H new ATOM 1056 N ALA A 64 12.622 -3.979 0.081 1.00 0.57 N ATOM 1057 CA ALA A 64 12.664 -4.505 1.469 1.00 0.69 C ATOM 1058 C ALA A 64 13.718 -5.617 1.569 1.00 0.72 C ATOM 1059 O ALA A 64 14.887 -5.382 1.337 1.00 0.77 O ATOM 1060 CB ALA A 64 11.253 -5.032 1.708 1.00 0.67 C ATOM 0 H ALA A 64 12.442 -4.675 -0.642 1.00 0.57 H new ATOM 0 HA ALA A 64 12.943 -3.758 2.213 1.00 0.69 H new ATOM 0 HB1 ALA A 64 11.184 -5.444 2.715 1.00 0.67 H new ATOM 0 HB2 ALA A 64 10.537 -4.217 1.600 1.00 0.67 H new ATOM 0 HB3 ALA A 64 11.028 -5.812 0.981 1.00 0.67 H new ATOM 1066 N SER A 65 13.329 -6.826 1.895 1.00 0.78 N ATOM 1067 CA SER A 65 14.325 -7.930 1.978 1.00 0.87 C ATOM 1068 C SER A 65 14.216 -8.788 0.717 1.00 0.82 C ATOM 1069 O SER A 65 15.155 -9.439 0.306 1.00 0.97 O ATOM 1070 CB SER A 65 13.931 -8.733 3.216 1.00 0.88 C ATOM 1071 OG SER A 65 14.779 -9.868 3.329 1.00 1.41 O ATOM 0 H SER A 65 12.367 -7.092 2.106 1.00 0.78 H new ATOM 0 HA SER A 65 15.353 -7.574 2.050 1.00 0.87 H new ATOM 0 HB2 SER A 65 14.014 -8.112 4.108 1.00 0.88 H new ATOM 0 HB3 SER A 65 12.890 -9.048 3.143 1.00 0.88 H new ATOM 0 HG SER A 65 14.530 -10.385 4.124 1.00 1.41 H new ATOM 1077 N ASP A 66 13.065 -8.779 0.100 1.00 0.72 N ATOM 1078 CA ASP A 66 12.865 -9.576 -1.144 1.00 0.78 C ATOM 1079 C ASP A 66 11.854 -8.867 -2.052 1.00 0.66 C ATOM 1080 O ASP A 66 11.311 -9.449 -2.971 1.00 0.75 O ATOM 1081 CB ASP A 66 12.314 -10.921 -0.671 1.00 0.86 C ATOM 1082 CG ASP A 66 12.944 -12.048 -1.492 1.00 1.30 C ATOM 1083 OD1 ASP A 66 14.158 -12.064 -1.608 1.00 1.99 O ATOM 1084 OD2 ASP A 66 12.200 -12.876 -1.993 1.00 1.97 O ATOM 0 H ASP A 66 12.249 -8.250 0.407 1.00 0.72 H new ATOM 0 HA ASP A 66 13.785 -9.698 -1.716 1.00 0.78 H new ATOM 0 HB2 ASP A 66 12.531 -11.063 0.388 1.00 0.86 H new ATOM 0 HB3 ASP A 66 11.230 -10.940 -0.779 1.00 0.86 H new ATOM 1089 N LYS A 67 11.597 -7.611 -1.797 1.00 0.58 N ATOM 1090 CA LYS A 67 10.623 -6.854 -2.636 1.00 0.50 C ATOM 1091 C LYS A 67 11.336 -5.751 -3.411 1.00 0.48 C ATOM 1092 O LYS A 67 11.270 -4.589 -3.066 1.00 0.50 O ATOM 1093 CB LYS A 67 9.639 -6.244 -1.648 1.00 0.51 C ATOM 1094 CG LYS A 67 8.804 -5.166 -2.346 1.00 0.47 C ATOM 1095 CD LYS A 67 9.003 -3.831 -1.633 1.00 0.57 C ATOM 1096 CE LYS A 67 8.119 -3.791 -0.387 1.00 0.85 C ATOM 1097 NZ LYS A 67 6.725 -3.928 -0.897 1.00 1.37 N ATOM 0 H LYS A 67 12.022 -7.075 -1.040 1.00 0.58 H new ATOM 0 HA LYS A 67 10.130 -7.495 -3.367 1.00 0.50 H new ATOM 0 HB2 LYS A 67 8.986 -7.019 -1.245 1.00 0.51 H new ATOM 0 HB3 LYS A 67 10.177 -5.811 -0.805 1.00 0.51 H new ATOM 0 HG2 LYS A 67 9.101 -5.080 -3.391 1.00 0.47 H new ATOM 0 HG3 LYS A 67 7.750 -5.443 -2.335 1.00 0.47 H new ATOM 0 HD2 LYS A 67 10.050 -3.706 -1.355 1.00 0.57 H new ATOM 0 HD3 LYS A 67 8.749 -3.007 -2.300 1.00 0.57 H new ATOM 0 HE2 LYS A 67 8.369 -4.599 0.300 1.00 0.85 H new ATOM 0 HE3 LYS A 67 8.249 -2.857 0.159 1.00 0.85 H new ATOM 0 HZ1 LYS A 67 6.070 -3.443 -0.251 1.00 1.37 H new ATOM 0 HZ2 LYS A 67 6.658 -3.501 -1.843 1.00 1.37 H new ATOM 0 HZ3 LYS A 67 6.473 -4.936 -0.953 1.00 1.37 H new ATOM 1111 N LEU A 68 11.985 -6.105 -4.468 1.00 0.53 N ATOM 1112 CA LEU A 68 12.679 -5.081 -5.297 1.00 0.55 C ATOM 1113 C LEU A 68 11.681 -4.510 -6.295 1.00 0.54 C ATOM 1114 O LEU A 68 11.835 -4.663 -7.490 1.00 0.64 O ATOM 1115 CB LEU A 68 13.789 -5.832 -6.028 1.00 0.66 C ATOM 1116 CG LEU A 68 14.837 -6.305 -5.021 1.00 1.04 C ATOM 1117 CD1 LEU A 68 15.496 -7.588 -5.533 1.00 1.66 C ATOM 1118 CD2 LEU A 68 15.902 -5.220 -4.848 1.00 1.79 C ATOM 0 H LEU A 68 12.071 -7.064 -4.803 1.00 0.53 H new ATOM 0 HA LEU A 68 13.082 -4.258 -4.706 1.00 0.55 H new ATOM 0 HB2 LEU A 68 13.373 -6.686 -6.563 1.00 0.66 H new ATOM 0 HB3 LEU A 68 14.252 -5.184 -6.772 1.00 0.66 H new ATOM 0 HG LEU A 68 14.357 -6.501 -4.062 1.00 1.04 H new ATOM 0 HD11 LEU A 68 16.243 -7.925 -4.815 1.00 1.66 H new ATOM 0 HD12 LEU A 68 14.738 -8.361 -5.658 1.00 1.66 H new ATOM 0 HD13 LEU A 68 15.977 -7.393 -6.492 1.00 1.66 H new ATOM 0 HD21 LEU A 68 16.650 -5.556 -4.130 1.00 1.79 H new ATOM 0 HD22 LEU A 68 16.381 -5.025 -5.807 1.00 1.79 H new ATOM 0 HD23 LEU A 68 15.434 -4.306 -4.483 1.00 1.79 H new ATOM 1130 N PHE A 69 10.650 -3.866 -5.820 1.00 0.47 N ATOM 1131 CA PHE A 69 9.641 -3.311 -6.754 1.00 0.53 C ATOM 1132 C PHE A 69 8.480 -2.688 -5.961 1.00 0.43 C ATOM 1133 O PHE A 69 8.703 -1.811 -5.163 1.00 0.51 O ATOM 1134 CB PHE A 69 9.206 -4.500 -7.628 1.00 0.67 C ATOM 1135 CG PHE A 69 9.078 -5.773 -6.808 1.00 0.90 C ATOM 1136 CD1 PHE A 69 8.491 -5.754 -5.533 1.00 1.20 C ATOM 1137 CD2 PHE A 69 9.553 -6.980 -7.337 1.00 1.14 C ATOM 1138 CE1 PHE A 69 8.382 -6.940 -4.795 1.00 1.70 C ATOM 1139 CE2 PHE A 69 9.443 -8.163 -6.598 1.00 1.62 C ATOM 1140 CZ PHE A 69 8.857 -8.143 -5.328 1.00 1.88 C ATOM 0 H PHE A 69 10.467 -3.703 -4.830 1.00 0.47 H new ATOM 0 HA PHE A 69 10.028 -2.507 -7.380 1.00 0.53 H new ATOM 0 HB2 PHE A 69 8.252 -4.274 -8.103 1.00 0.67 H new ATOM 0 HB3 PHE A 69 9.932 -4.651 -8.427 1.00 0.67 H new ATOM 0 HD1 PHE A 69 8.124 -4.826 -5.121 1.00 1.20 H new ATOM 0 HD2 PHE A 69 10.005 -6.997 -8.318 1.00 1.14 H new ATOM 0 HE1 PHE A 69 7.931 -6.925 -3.814 1.00 1.70 H new ATOM 0 HE2 PHE A 69 9.811 -9.092 -7.008 1.00 1.62 H new ATOM 0 HZ PHE A 69 8.771 -9.057 -4.759 1.00 1.88 H new ATOM 1150 N ARG A 70 7.252 -3.107 -6.154 1.00 0.38 N ATOM 1151 CA ARG A 70 6.141 -2.469 -5.380 1.00 0.33 C ATOM 1152 C ARG A 70 5.186 -3.495 -4.781 1.00 0.36 C ATOM 1153 O ARG A 70 4.849 -4.492 -5.388 1.00 0.51 O ATOM 1154 CB ARG A 70 5.384 -1.614 -6.407 1.00 0.36 C ATOM 1155 CG ARG A 70 4.002 -1.191 -5.857 1.00 0.39 C ATOM 1156 CD ARG A 70 2.910 -1.740 -6.778 1.00 0.93 C ATOM 1157 NE ARG A 70 2.876 -0.803 -7.934 1.00 1.01 N ATOM 1158 CZ ARG A 70 2.115 -1.060 -8.962 1.00 1.31 C ATOM 1159 NH1 ARG A 70 1.697 -2.279 -9.175 1.00 1.88 N ATOM 1160 NH2 ARG A 70 1.770 -0.102 -9.777 1.00 1.80 N ATOM 0 H ARG A 70 6.975 -3.847 -6.799 1.00 0.38 H new ATOM 0 HA ARG A 70 6.539 -1.896 -4.543 1.00 0.33 H new ATOM 0 HB2 ARG A 70 5.970 -0.728 -6.652 1.00 0.36 H new ATOM 0 HB3 ARG A 70 5.256 -2.177 -7.332 1.00 0.36 H new ATOM 0 HG2 ARG A 70 3.867 -1.572 -4.845 1.00 0.39 H new ATOM 0 HG3 ARG A 70 3.936 -0.104 -5.800 1.00 0.39 H new ATOM 0 HD2 ARG A 70 3.139 -2.756 -7.100 1.00 0.93 H new ATOM 0 HD3 ARG A 70 1.946 -1.776 -6.270 1.00 0.93 H new ATOM 0 HE ARG A 70 3.448 0.041 -7.922 1.00 1.01 H new ATOM 0 HH11 ARG A 70 1.966 -3.029 -8.538 1.00 1.88 H new ATOM 0 HH12 ARG A 70 1.102 -2.481 -9.978 1.00 1.88 H new ATOM 0 HH21 ARG A 70 2.095 0.850 -9.611 1.00 1.80 H new ATOM 0 HH22 ARG A 70 1.175 -0.305 -10.580 1.00 1.80 H new ATOM 1174 N ALA A 71 4.689 -3.195 -3.616 1.00 0.38 N ATOM 1175 CA ALA A 71 3.681 -4.073 -2.984 1.00 0.42 C ATOM 1176 C ALA A 71 2.316 -3.534 -3.412 1.00 0.43 C ATOM 1177 O ALA A 71 1.782 -2.627 -2.807 1.00 0.48 O ATOM 1178 CB ALA A 71 3.887 -3.920 -1.477 1.00 0.48 C ATOM 0 H ALA A 71 4.943 -2.370 -3.073 1.00 0.38 H new ATOM 0 HA ALA A 71 3.758 -5.124 -3.264 1.00 0.42 H new ATOM 0 HB1 ALA A 71 3.170 -4.546 -0.946 1.00 0.48 H new ATOM 0 HB2 ALA A 71 4.900 -4.227 -1.215 1.00 0.48 H new ATOM 0 HB3 ALA A 71 3.739 -2.878 -1.193 1.00 0.48 H new ATOM 1184 N ASP A 72 1.772 -4.041 -4.482 1.00 0.47 N ATOM 1185 CA ASP A 72 0.469 -3.507 -4.968 1.00 0.53 C ATOM 1186 C ASP A 72 -0.688 -4.110 -4.182 1.00 0.56 C ATOM 1187 O ASP A 72 -1.311 -5.053 -4.616 1.00 0.97 O ATOM 1188 CB ASP A 72 0.393 -3.924 -6.438 1.00 0.57 C ATOM 1189 CG ASP A 72 -0.250 -2.802 -7.254 1.00 0.95 C ATOM 1190 OD1 ASP A 72 -0.483 -1.744 -6.691 1.00 1.42 O ATOM 1191 OD2 ASP A 72 -0.498 -3.018 -8.429 1.00 1.73 O ATOM 0 H ASP A 72 2.170 -4.798 -5.039 1.00 0.47 H new ATOM 0 HA ASP A 72 0.400 -2.426 -4.843 1.00 0.53 H new ATOM 0 HB2 ASP A 72 1.392 -4.138 -6.818 1.00 0.57 H new ATOM 0 HB3 ASP A 72 -0.189 -4.840 -6.538 1.00 0.57 H new ATOM 1196 N ILE A 73 -0.986 -3.566 -3.034 1.00 0.47 N ATOM 1197 CA ILE A 73 -2.113 -4.115 -2.227 1.00 0.46 C ATOM 1198 C ILE A 73 -3.446 -3.668 -2.836 1.00 0.48 C ATOM 1199 O ILE A 73 -3.604 -2.537 -3.251 1.00 0.58 O ATOM 1200 CB ILE A 73 -1.878 -3.577 -0.789 1.00 0.52 C ATOM 1201 CG1 ILE A 73 -1.869 -4.758 0.185 1.00 0.83 C ATOM 1202 CG2 ILE A 73 -2.965 -2.579 -0.346 1.00 0.61 C ATOM 1203 CD1 ILE A 73 -3.205 -5.499 0.101 1.00 1.18 C ATOM 0 H ILE A 73 -0.501 -2.769 -2.621 1.00 0.47 H new ATOM 0 HA ILE A 73 -2.153 -5.204 -2.213 1.00 0.46 H new ATOM 0 HB ILE A 73 -0.924 -3.050 -0.787 1.00 0.52 H new ATOM 0 HG12 ILE A 73 -1.050 -5.435 -0.056 1.00 0.83 H new ATOM 0 HG13 ILE A 73 -1.701 -4.403 1.202 1.00 0.83 H new ATOM 0 HG21 ILE A 73 -2.752 -2.235 0.666 1.00 0.61 H new ATOM 0 HG22 ILE A 73 -2.975 -1.726 -1.025 1.00 0.61 H new ATOM 0 HG23 ILE A 73 -3.938 -3.069 -0.365 1.00 0.61 H new ATOM 0 HD11 ILE A 73 -3.199 -6.340 0.794 1.00 1.18 H new ATOM 0 HD12 ILE A 73 -4.015 -4.819 0.363 1.00 1.18 H new ATOM 0 HD13 ILE A 73 -3.354 -5.867 -0.914 1.00 1.18 H new ATOM 1215 N SER A 74 -4.402 -4.546 -2.885 1.00 0.62 N ATOM 1216 CA SER A 74 -5.717 -4.169 -3.458 1.00 0.69 C ATOM 1217 C SER A 74 -6.836 -4.611 -2.507 1.00 0.68 C ATOM 1218 O SER A 74 -6.957 -5.776 -2.185 1.00 0.78 O ATOM 1219 CB SER A 74 -5.804 -4.935 -4.777 1.00 0.84 C ATOM 1220 OG SER A 74 -6.037 -4.020 -5.839 1.00 1.26 O ATOM 0 H SER A 74 -4.330 -5.508 -2.553 1.00 0.62 H new ATOM 0 HA SER A 74 -5.820 -3.094 -3.605 1.00 0.69 H new ATOM 0 HB2 SER A 74 -4.880 -5.485 -4.952 1.00 0.84 H new ATOM 0 HB3 SER A 74 -6.608 -5.669 -4.732 1.00 0.84 H new ATOM 0 HG SER A 74 -6.091 -4.509 -6.686 1.00 1.26 H new ATOM 1226 N GLU A 75 -7.649 -3.700 -2.047 1.00 0.67 N ATOM 1227 CA GLU A 75 -8.742 -4.095 -1.110 1.00 0.69 C ATOM 1228 C GLU A 75 -9.926 -3.139 -1.237 1.00 0.68 C ATOM 1229 O GLU A 75 -9.807 -1.955 -0.994 1.00 0.79 O ATOM 1230 CB GLU A 75 -8.121 -3.981 0.283 1.00 0.80 C ATOM 1231 CG GLU A 75 -7.984 -5.370 0.903 1.00 1.12 C ATOM 1232 CD GLU A 75 -7.994 -5.252 2.428 1.00 1.61 C ATOM 1233 OE1 GLU A 75 -8.982 -4.773 2.959 1.00 2.30 O ATOM 1234 OE2 GLU A 75 -7.013 -5.642 3.040 1.00 1.98 O ATOM 0 H GLU A 75 -7.606 -2.707 -2.276 1.00 0.67 H new ATOM 0 HA GLU A 75 -9.119 -5.097 -1.318 1.00 0.69 H new ATOM 0 HB2 GLU A 75 -7.143 -3.504 0.217 1.00 0.80 H new ATOM 0 HB3 GLU A 75 -8.742 -3.349 0.918 1.00 0.80 H new ATOM 0 HG2 GLU A 75 -8.802 -6.010 0.572 1.00 1.12 H new ATOM 0 HG3 GLU A 75 -7.058 -5.839 0.570 1.00 1.12 H new ATOM 1241 N ASP A 76 -11.071 -3.640 -1.607 1.00 0.74 N ATOM 1242 CA ASP A 76 -12.257 -2.752 -1.736 1.00 0.86 C ATOM 1243 C ASP A 76 -12.584 -2.117 -0.378 1.00 0.84 C ATOM 1244 O ASP A 76 -11.703 -1.693 0.343 1.00 1.02 O ATOM 1245 CB ASP A 76 -13.380 -3.672 -2.188 1.00 1.22 C ATOM 1246 CG ASP A 76 -14.308 -2.917 -3.141 1.00 1.58 C ATOM 1247 OD1 ASP A 76 -13.804 -2.141 -3.937 1.00 2.26 O ATOM 1248 OD2 ASP A 76 -15.507 -3.127 -3.059 1.00 1.96 O ATOM 0 H ASP A 76 -11.236 -4.623 -1.825 1.00 0.74 H new ATOM 0 HA ASP A 76 -12.097 -1.933 -2.437 1.00 0.86 H new ATOM 0 HB2 ASP A 76 -12.967 -4.550 -2.685 1.00 1.22 H new ATOM 0 HB3 ASP A 76 -13.941 -4.029 -1.325 1.00 1.22 H new ATOM 1365 N LYS A 83 -9.314 -8.774 -1.357 1.00 1.20 N ATOM 1366 CA LYS A 83 -8.212 -8.503 -0.392 1.00 1.01 C ATOM 1367 C LYS A 83 -6.944 -9.221 -0.857 1.00 1.03 C ATOM 1368 O LYS A 83 -6.828 -10.426 -0.750 1.00 1.30 O ATOM 1369 CB LYS A 83 -8.697 -9.071 0.942 1.00 1.39 C ATOM 1370 CG LYS A 83 -9.788 -8.166 1.520 1.00 1.59 C ATOM 1371 CD LYS A 83 -10.474 -8.876 2.689 1.00 2.12 C ATOM 1372 CE LYS A 83 -10.292 -8.051 3.965 1.00 2.81 C ATOM 1373 NZ LYS A 83 -10.338 -9.045 5.073 1.00 3.53 N ATOM 0 HA LYS A 83 -7.976 -7.442 -0.310 1.00 1.01 H new ATOM 0 HB2 LYS A 83 -9.085 -10.080 0.800 1.00 1.39 H new ATOM 0 HB3 LYS A 83 -7.864 -9.146 1.641 1.00 1.39 H new ATOM 0 HG2 LYS A 83 -9.354 -7.225 1.857 1.00 1.59 H new ATOM 0 HG3 LYS A 83 -10.519 -7.922 0.749 1.00 1.59 H new ATOM 0 HD2 LYS A 83 -11.535 -9.007 2.476 1.00 2.12 H new ATOM 0 HD3 LYS A 83 -10.050 -9.871 2.823 1.00 2.12 H new ATOM 0 HE2 LYS A 83 -9.344 -7.513 3.956 1.00 2.81 H new ATOM 0 HE3 LYS A 83 -11.081 -7.306 4.070 1.00 2.81 H new ATOM 0 HZ1 LYS A 83 -10.220 -8.556 5.983 1.00 3.53 H new ATOM 0 HZ2 LYS A 83 -11.254 -9.537 5.060 1.00 3.53 H new ATOM 0 HZ3 LYS A 83 -9.572 -9.737 4.950 1.00 3.53 H new ATOM 1387 N LEU A 84 -6.000 -8.495 -1.387 1.00 0.87 N ATOM 1388 CA LEU A 84 -4.749 -9.142 -1.874 1.00 1.01 C ATOM 1389 C LEU A 84 -3.709 -8.078 -2.220 1.00 0.79 C ATOM 1390 O LEU A 84 -3.963 -6.894 -2.117 1.00 0.83 O ATOM 1391 CB LEU A 84 -5.173 -9.893 -3.136 1.00 1.27 C ATOM 1392 CG LEU A 84 -4.330 -11.160 -3.292 1.00 1.68 C ATOM 1393 CD1 LEU A 84 -4.427 -12.002 -2.018 1.00 2.41 C ATOM 1394 CD2 LEU A 84 -4.852 -11.974 -4.478 1.00 2.30 C ATOM 0 H LEU A 84 -6.040 -7.483 -1.504 1.00 0.87 H new ATOM 0 HA LEU A 84 -4.301 -9.799 -1.129 1.00 1.01 H new ATOM 0 HB2 LEU A 84 -6.230 -10.153 -3.078 1.00 1.27 H new ATOM 0 HB3 LEU A 84 -5.050 -9.253 -4.010 1.00 1.27 H new ATOM 0 HG LEU A 84 -3.290 -10.884 -3.466 1.00 1.68 H new ATOM 0 HD11 LEU A 84 -3.826 -12.904 -2.131 1.00 2.41 H new ATOM 0 HD12 LEU A 84 -4.058 -11.424 -1.171 1.00 2.41 H new ATOM 0 HD13 LEU A 84 -5.467 -12.279 -1.843 1.00 2.41 H new ATOM 0 HD21 LEU A 84 -4.253 -12.877 -4.591 1.00 2.30 H new ATOM 0 HD22 LEU A 84 -5.892 -12.248 -4.301 1.00 2.30 H new ATOM 0 HD23 LEU A 84 -4.784 -11.377 -5.387 1.00 2.30 H new ATOM 1406 N LEU A 85 -2.545 -8.485 -2.647 1.00 0.79 N ATOM 1407 CA LEU A 85 -1.510 -7.481 -3.013 1.00 0.64 C ATOM 1408 C LEU A 85 -0.539 -8.063 -4.050 1.00 0.65 C ATOM 1409 O LEU A 85 -0.676 -9.191 -4.480 1.00 0.81 O ATOM 1410 CB LEU A 85 -0.809 -7.111 -1.689 1.00 0.72 C ATOM 1411 CG LEU A 85 0.413 -8.002 -1.434 1.00 0.91 C ATOM 1412 CD1 LEU A 85 1.199 -7.457 -0.241 1.00 1.24 C ATOM 1413 CD2 LEU A 85 -0.049 -9.428 -1.127 1.00 1.24 C ATOM 0 H LEU A 85 -2.269 -9.461 -2.757 1.00 0.79 H new ATOM 0 HA LEU A 85 -1.936 -6.593 -3.480 1.00 0.64 H new ATOM 0 HB2 LEU A 85 -0.499 -6.066 -1.719 1.00 0.72 H new ATOM 0 HB3 LEU A 85 -1.513 -7.211 -0.863 1.00 0.72 H new ATOM 0 HG LEU A 85 1.049 -8.008 -2.319 1.00 0.91 H new ATOM 0 HD11 LEU A 85 2.068 -8.089 -0.058 1.00 1.24 H new ATOM 0 HD12 LEU A 85 1.529 -6.441 -0.456 1.00 1.24 H new ATOM 0 HD13 LEU A 85 0.562 -7.452 0.643 1.00 1.24 H new ATOM 0 HD21 LEU A 85 0.820 -10.061 -0.946 1.00 1.24 H new ATOM 0 HD22 LEU A 85 -0.684 -9.422 -0.241 1.00 1.24 H new ATOM 0 HD23 LEU A 85 -0.612 -9.819 -1.975 1.00 1.24 H new ATOM 1425 N ARG A 86 0.438 -7.299 -4.457 1.00 0.55 N ATOM 1426 CA ARG A 86 1.409 -7.807 -5.468 1.00 0.60 C ATOM 1427 C ARG A 86 2.843 -7.469 -5.051 1.00 0.59 C ATOM 1428 O ARG A 86 3.079 -6.919 -3.997 1.00 0.99 O ATOM 1429 CB ARG A 86 1.047 -7.082 -6.765 1.00 0.73 C ATOM 1430 CG ARG A 86 -0.470 -7.107 -6.960 1.00 0.94 C ATOM 1431 CD ARG A 86 -0.819 -6.537 -8.336 1.00 1.33 C ATOM 1432 NE ARG A 86 -1.571 -7.624 -9.022 1.00 1.77 N ATOM 1433 CZ ARG A 86 -1.905 -7.495 -10.278 1.00 2.12 C ATOM 1434 NH1 ARG A 86 -0.982 -7.485 -11.200 1.00 2.71 N ATOM 1435 NH2 ARG A 86 -3.161 -7.375 -10.609 1.00 2.42 N ATOM 0 H ARG A 86 0.606 -6.346 -4.134 1.00 0.55 H new ATOM 0 HA ARG A 86 1.358 -8.891 -5.575 1.00 0.60 H new ATOM 0 HB2 ARG A 86 1.402 -6.052 -6.729 1.00 0.73 H new ATOM 0 HB3 ARG A 86 1.541 -7.560 -7.611 1.00 0.73 H new ATOM 0 HG2 ARG A 86 -0.841 -8.128 -6.873 1.00 0.94 H new ATOM 0 HG3 ARG A 86 -0.957 -6.523 -6.179 1.00 0.94 H new ATOM 0 HD2 ARG A 86 -1.423 -5.634 -8.248 1.00 1.33 H new ATOM 0 HD3 ARG A 86 0.079 -6.267 -8.891 1.00 1.33 H new ATOM 0 HE ARG A 86 -1.825 -8.469 -8.511 1.00 1.77 H new ATOM 0 HH11 ARG A 86 -0.000 -7.578 -10.940 1.00 2.71 H new ATOM 0 HH12 ARG A 86 -1.242 -7.384 -12.181 1.00 2.71 H new ATOM 0 HH21 ARG A 86 -3.882 -7.382 -9.887 1.00 2.42 H new ATOM 0 HH22 ARG A 86 -3.423 -7.274 -11.590 1.00 2.42 H new ATOM 1449 N PHE A 87 3.797 -7.803 -5.875 1.00 0.43 N ATOM 1450 CA PHE A 87 5.227 -7.513 -5.550 1.00 0.42 C ATOM 1451 C PHE A 87 6.021 -7.395 -6.852 1.00 0.49 C ATOM 1452 O PHE A 87 6.919 -8.171 -7.109 1.00 0.64 O ATOM 1453 CB PHE A 87 5.710 -8.721 -4.737 1.00 0.50 C ATOM 1454 CG PHE A 87 4.806 -8.922 -3.543 1.00 0.49 C ATOM 1455 CD1 PHE A 87 5.083 -8.273 -2.331 1.00 0.68 C ATOM 1456 CD2 PHE A 87 3.681 -9.751 -3.651 1.00 0.49 C ATOM 1457 CE1 PHE A 87 4.235 -8.455 -1.235 1.00 0.76 C ATOM 1458 CE2 PHE A 87 2.834 -9.927 -2.554 1.00 0.54 C ATOM 1459 CZ PHE A 87 3.112 -9.279 -1.347 1.00 0.67 C ATOM 0 H PHE A 87 3.648 -8.269 -6.770 1.00 0.43 H new ATOM 0 HA PHE A 87 5.353 -6.583 -4.996 1.00 0.42 H new ATOM 0 HB2 PHE A 87 5.710 -9.615 -5.360 1.00 0.50 H new ATOM 0 HB3 PHE A 87 6.736 -8.563 -4.406 1.00 0.50 H new ATOM 0 HD1 PHE A 87 5.949 -7.634 -2.245 1.00 0.68 H new ATOM 0 HD2 PHE A 87 3.469 -10.254 -4.583 1.00 0.49 H new ATOM 0 HE1 PHE A 87 4.448 -7.958 -0.300 1.00 0.76 H new ATOM 0 HE2 PHE A 87 1.965 -10.563 -2.638 1.00 0.54 H new ATOM 0 HZ PHE A 87 2.457 -9.416 -0.499 1.00 0.67 H new ATOM 1469 N ASN A 88 5.700 -6.435 -7.685 1.00 0.51 N ATOM 1470 CA ASN A 88 6.456 -6.301 -8.964 1.00 0.65 C ATOM 1471 C ASN A 88 6.462 -4.862 -9.460 1.00 0.69 C ATOM 1472 O ASN A 88 6.318 -3.924 -8.700 1.00 0.84 O ATOM 1473 CB ASN A 88 5.753 -7.182 -9.987 1.00 1.07 C ATOM 1474 CG ASN A 88 5.270 -8.481 -9.334 1.00 1.23 C ATOM 1475 OD1 ASN A 88 6.039 -9.403 -9.147 1.00 1.65 O ATOM 1476 ND2 ASN A 88 4.020 -8.591 -8.976 1.00 1.91 N ATOM 0 H ASN A 88 4.959 -5.750 -7.537 1.00 0.51 H new ATOM 0 HA ASN A 88 7.494 -6.599 -8.813 1.00 0.65 H new ATOM 0 HB2 ASN A 88 4.906 -6.647 -10.416 1.00 1.07 H new ATOM 0 HB3 ASN A 88 6.433 -7.411 -10.807 1.00 1.07 H new ATOM 0 HD21 ASN A 88 3.688 -9.451 -8.539 1.00 1.91 H new ATOM 0 HD22 ASN A 88 3.375 -7.817 -9.133 1.00 1.91 H new ATOM 1483 N GLY A 89 6.671 -4.680 -10.735 1.00 0.86 N ATOM 1484 CA GLY A 89 6.756 -3.300 -11.267 1.00 1.18 C ATOM 1485 C GLY A 89 8.021 -2.724 -10.655 1.00 1.21 C ATOM 1486 O GLY A 89 7.999 -1.697 -10.004 1.00 1.21 O ATOM 0 H GLY A 89 6.785 -5.424 -11.423 1.00 0.86 H new ATOM 0 HA2 GLY A 89 6.807 -3.299 -12.356 1.00 1.18 H new ATOM 0 HA3 GLY A 89 5.880 -2.714 -10.989 1.00 1.18 H new ATOM 1490 N PRO A 90 9.085 -3.466 -10.834 1.00 1.30 N ATOM 1491 CA PRO A 90 10.384 -3.098 -10.236 1.00 1.41 C ATOM 1492 C PRO A 90 10.962 -1.829 -10.864 1.00 1.65 C ATOM 1493 O PRO A 90 10.312 -1.142 -11.627 1.00 2.15 O ATOM 1494 CB PRO A 90 11.274 -4.307 -10.520 1.00 1.61 C ATOM 1495 CG PRO A 90 10.659 -4.958 -11.714 1.00 1.69 C ATOM 1496 CD PRO A 90 9.178 -4.705 -11.620 1.00 1.41 C ATOM 0 HA PRO A 90 10.298 -2.874 -9.173 1.00 1.41 H new ATOM 0 HB2 PRO A 90 12.302 -4.004 -10.720 1.00 1.61 H new ATOM 0 HB3 PRO A 90 11.302 -4.987 -9.669 1.00 1.61 H new ATOM 0 HG2 PRO A 90 11.066 -4.543 -12.636 1.00 1.69 H new ATOM 0 HG3 PRO A 90 10.870 -6.027 -11.725 1.00 1.69 H new ATOM 0 HD2 PRO A 90 8.728 -4.588 -12.606 1.00 1.41 H new ATOM 0 HD3 PRO A 90 8.661 -5.530 -11.130 1.00 1.41 H new ATOM 1504 N VAL A 91 12.185 -1.516 -10.535 1.00 1.39 N ATOM 1505 CA VAL A 91 12.832 -0.302 -11.087 1.00 1.66 C ATOM 1506 C VAL A 91 13.116 -0.481 -12.582 1.00 1.96 C ATOM 1507 O VAL A 91 13.095 -1.612 -13.036 1.00 2.29 O ATOM 1508 CB VAL A 91 14.132 -0.197 -10.297 1.00 1.44 C ATOM 1509 CG1 VAL A 91 13.817 0.078 -8.826 1.00 1.49 C ATOM 1510 CG2 VAL A 91 14.904 -1.513 -10.411 1.00 1.66 C ATOM 0 H VAL A 91 12.768 -2.060 -9.898 1.00 1.39 H new ATOM 0 HA VAL A 91 12.213 0.591 -10.999 1.00 1.66 H new ATOM 0 HB VAL A 91 14.734 0.618 -10.699 1.00 1.44 H new ATOM 0 HG11 VAL A 91 14.747 0.153 -8.263 1.00 1.49 H new ATOM 0 HG12 VAL A 91 13.265 1.014 -8.741 1.00 1.49 H new ATOM 0 HG13 VAL A 91 13.214 -0.737 -8.425 1.00 1.49 H new ATOM 0 HG21 VAL A 91 15.834 -1.440 -9.847 1.00 1.66 H new ATOM 0 HG22 VAL A 91 14.299 -2.326 -10.009 1.00 1.66 H new ATOM 0 HG23 VAL A 91 15.130 -1.713 -11.458 1.00 1.66 H new