USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 445 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 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 7 LYS NZ :NH3+ -146:sc= -0.0703 (180deg=-1.05) USER MOD Single : A 9 ASN : amide:sc= -2.72 K(o=-2.7,f=-4.7!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot -118:sc= 0.327 USER MOD Single : A 14 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.68) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.469 USER MOD Single : A 24 GLN : amide:sc= -3.62! K(o=-3.6!,f=-0.47) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -125:sc= -2.48 (180deg=-5.45!) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0336 USER MOD Single : A 51 GLN : amide:sc= -3.01! K(o=-3!,f=-0.29) USER MOD Single : A 53 ASN : amide:sc= -4.47! K(o=-4.5!,f=-0.96) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -15.856 7.357 -8.747 1.00 0.00 N ATOM 2 CA GLU A 1 -15.932 6.094 -7.955 1.00 0.00 C ATOM 3 C GLU A 1 -16.132 6.432 -6.475 1.00 0.00 C ATOM 4 O GLU A 1 -17.158 6.130 -5.900 1.00 0.00 O ATOM 5 CB GLU A 1 -14.650 5.278 -8.116 1.00 0.00 C ATOM 6 CG GLU A 1 -14.965 3.800 -7.879 1.00 0.00 C ATOM 7 CD GLU A 1 -15.384 3.154 -9.201 1.00 0.00 C ATOM 8 OE1 GLU A 1 -14.600 3.265 -10.130 1.00 0.00 O ATOM 9 OE2 GLU A 1 -16.465 2.588 -9.209 1.00 0.00 O ATOM 0 H1 GLU A 1 -15.720 7.129 -9.752 1.00 0.00 H new ATOM 0 H2 GLU A 1 -16.739 7.894 -8.630 1.00 0.00 H new ATOM 0 H3 GLU A 1 -15.056 7.930 -8.411 1.00 0.00 H new ATOM 0 HA GLU A 1 -16.772 5.504 -8.321 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -14.237 5.419 -9.115 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -13.895 5.620 -7.408 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -14.091 3.291 -7.473 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -15.763 3.700 -7.143 1.00 0.00 H new ATOM 18 N ALA A 2 -15.144 7.051 -5.889 1.00 0.00 N ATOM 19 CA ALA A 2 -15.256 7.417 -4.447 1.00 0.00 C ATOM 20 C ALA A 2 -14.250 8.519 -4.098 1.00 0.00 C ATOM 21 O ALA A 2 -13.331 8.784 -4.847 1.00 0.00 O ATOM 22 CB ALA A 2 -14.972 6.180 -3.594 1.00 0.00 C ATOM 0 H ALA A 2 -14.270 7.318 -6.342 1.00 0.00 H new ATOM 0 HA ALA A 2 -16.263 7.785 -4.248 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -15.052 6.440 -2.538 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.696 5.400 -3.832 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.966 5.817 -3.803 1.00 0.00 H new ATOM 28 N GLU A 3 -14.447 9.137 -2.966 1.00 0.00 N ATOM 29 CA GLU A 3 -13.510 10.223 -2.551 1.00 0.00 C ATOM 30 C GLU A 3 -12.092 9.667 -2.399 1.00 0.00 C ATOM 31 O GLU A 3 -11.908 8.511 -2.066 1.00 0.00 O ATOM 32 CB GLU A 3 -13.976 10.804 -1.217 1.00 0.00 C ATOM 33 CG GLU A 3 -15.464 11.153 -1.315 1.00 0.00 C ATOM 34 CD GLU A 3 -15.673 12.178 -2.430 1.00 0.00 C ATOM 35 OE1 GLU A 3 -15.464 13.344 -2.140 1.00 0.00 O ATOM 36 OE2 GLU A 3 -16.030 11.737 -3.511 1.00 0.00 O ATOM 0 H GLU A 3 -15.208 8.941 -2.315 1.00 0.00 H new ATOM 0 HA GLU A 3 -13.503 11.002 -3.313 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -13.811 10.084 -0.415 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.396 11.694 -0.971 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -16.047 10.255 -1.518 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -15.818 11.555 -0.366 1.00 0.00 H new ATOM 43 N LYS A 4 -11.118 10.503 -2.644 1.00 0.00 N ATOM 44 CA LYS A 4 -9.702 10.042 -2.523 1.00 0.00 C ATOM 45 C LYS A 4 -9.103 10.509 -1.193 1.00 0.00 C ATOM 46 O LYS A 4 -9.637 11.383 -0.540 1.00 0.00 O ATOM 47 CB LYS A 4 -8.886 10.624 -3.678 1.00 0.00 C ATOM 48 CG LYS A 4 -9.832 11.295 -4.679 1.00 0.00 C ATOM 49 CD LYS A 4 -9.026 11.761 -5.893 1.00 0.00 C ATOM 50 CE LYS A 4 -9.863 12.757 -6.700 1.00 0.00 C ATOM 51 NZ LYS A 4 -9.076 13.290 -7.846 1.00 0.00 N ATOM 0 H LYS A 4 -11.239 11.477 -2.920 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.677 8.953 -2.558 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.165 11.349 -3.300 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.317 9.835 -4.170 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.609 10.596 -4.989 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.334 12.143 -4.212 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.096 12.228 -5.570 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.755 10.907 -6.514 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.766 12.269 -7.067 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.182 13.577 -6.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.658 13.964 -8.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -8.227 13.773 -7.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -8.793 12.506 -8.467 1.00 0.00 H new ATOM 65 N CYS A 5 -8.005 9.913 -0.818 1.00 0.00 N ATOM 66 CA CYS A 5 -7.356 10.310 0.465 1.00 0.00 C ATOM 67 C CYS A 5 -6.298 11.388 0.203 1.00 0.00 C ATOM 68 O CYS A 5 -5.605 11.351 -0.794 1.00 0.00 O ATOM 69 CB CYS A 5 -6.688 9.083 1.088 1.00 0.00 C ATOM 70 SG CYS A 5 -7.506 7.482 0.864 1.00 0.00 S ATOM 0 H CYS A 5 -7.532 9.174 -1.339 1.00 0.00 H new ATOM 0 HA CYS A 5 -8.110 10.708 1.145 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -5.680 9.006 0.681 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -6.587 9.262 2.158 1.00 0.00 H new ATOM 75 N THR A 6 -6.198 12.328 1.103 1.00 0.00 N ATOM 76 CA THR A 6 -5.192 13.415 0.916 1.00 0.00 C ATOM 77 C THR A 6 -3.773 12.842 0.972 1.00 0.00 C ATOM 78 O THR A 6 -3.064 12.832 -0.014 1.00 0.00 O ATOM 79 CB THR A 6 -5.367 14.454 2.028 1.00 0.00 C ATOM 80 OG1 THR A 6 -5.862 13.715 3.140 1.00 0.00 O ATOM 81 CG2 THR A 6 -6.464 15.460 1.689 1.00 0.00 C ATOM 0 H THR A 6 -6.762 12.392 1.951 1.00 0.00 H new ATOM 0 HA THR A 6 -5.344 13.880 -0.058 1.00 0.00 H new ATOM 0 HB THR A 6 -4.429 14.984 2.193 1.00 0.00 H new ATOM 0 HG1 THR A 6 -5.999 14.319 3.900 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.560 16.181 2.501 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.207 15.982 0.768 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.410 14.936 1.556 1.00 0.00 H new ATOM 89 N LYS A 7 -3.392 12.378 2.128 1.00 0.00 N ATOM 90 CA LYS A 7 -2.023 11.801 2.277 1.00 0.00 C ATOM 91 C LYS A 7 -1.708 10.868 1.067 1.00 0.00 C ATOM 92 O LYS A 7 -2.477 9.970 0.786 1.00 0.00 O ATOM 93 CB LYS A 7 -1.986 10.975 3.565 1.00 0.00 C ATOM 94 CG LYS A 7 -0.771 11.384 4.403 1.00 0.00 C ATOM 95 CD LYS A 7 -1.021 12.764 5.016 1.00 0.00 C ATOM 96 CE LYS A 7 0.227 13.630 4.821 1.00 0.00 C ATOM 97 NZ LYS A 7 1.446 12.892 5.255 1.00 0.00 N ATOM 0 H LYS A 7 -3.963 12.372 2.973 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.286 12.603 2.313 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.902 11.130 4.135 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.935 9.913 3.326 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.594 10.651 5.190 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.124 11.406 3.781 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.883 13.235 4.544 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.251 12.668 6.077 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.320 13.914 3.773 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.130 14.553 5.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.129 13.561 5.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.186 12.182 5.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.875 12.417 4.435 1.00 0.00 H new ATOM 111 N PRO A 8 -0.585 11.086 0.362 1.00 0.00 N ATOM 112 CA PRO A 8 -0.242 10.228 -0.783 1.00 0.00 C ATOM 113 C PRO A 8 -0.110 8.766 -0.335 1.00 0.00 C ATOM 114 O PRO A 8 -0.351 8.447 0.812 1.00 0.00 O ATOM 115 CB PRO A 8 1.096 10.757 -1.308 1.00 0.00 C ATOM 116 CG PRO A 8 1.507 11.961 -0.410 1.00 0.00 C ATOM 117 CD PRO A 8 0.397 12.157 0.637 1.00 0.00 C ATOM 0 HA PRO A 8 -1.012 10.253 -1.554 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.856 9.977 -1.275 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.004 11.068 -2.348 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.463 11.768 0.076 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.631 12.862 -1.010 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.792 12.079 1.650 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.059 13.143 0.548 1.00 0.00 H new ATOM 125 N ASN A 9 0.275 7.913 -1.247 1.00 0.00 N ATOM 126 CA ASN A 9 0.415 6.466 -0.888 1.00 0.00 C ATOM 127 C ASN A 9 -0.911 5.942 -0.324 1.00 0.00 C ATOM 128 O ASN A 9 -1.687 5.334 -1.033 1.00 0.00 O ATOM 129 CB ASN A 9 1.535 6.300 0.145 1.00 0.00 C ATOM 130 CG ASN A 9 2.798 7.021 -0.344 1.00 0.00 C ATOM 131 OD1 ASN A 9 3.631 6.454 -1.029 1.00 0.00 O ATOM 132 ND2 ASN A 9 2.982 8.267 -0.010 1.00 0.00 N ATOM 0 H ASN A 9 0.497 8.149 -2.214 1.00 0.00 H new ATOM 0 HA ASN A 9 0.668 5.892 -1.780 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.220 6.708 1.106 1.00 0.00 H new ATOM 0 HB3 ASN A 9 1.746 5.242 0.301 1.00 0.00 H new ATOM 0 HD21 ASN A 9 3.819 8.760 -0.322 1.00 0.00 H new ATOM 0 HD22 ASN A 9 2.289 8.749 0.563 1.00 0.00 H new ATOM 139 N GLU A 10 -1.148 6.182 0.937 1.00 0.00 N ATOM 140 CA GLU A 10 -2.430 5.710 1.532 1.00 0.00 C ATOM 141 C GLU A 10 -3.593 6.216 0.674 1.00 0.00 C ATOM 142 O GLU A 10 -4.098 7.297 0.894 1.00 0.00 O ATOM 143 CB GLU A 10 -2.563 6.260 2.950 1.00 0.00 C ATOM 144 CG GLU A 10 -1.353 5.819 3.776 1.00 0.00 C ATOM 145 CD GLU A 10 -1.676 5.969 5.264 1.00 0.00 C ATOM 146 OE1 GLU A 10 -2.296 6.970 5.586 1.00 0.00 O ATOM 147 OE2 GLU A 10 -1.285 5.074 5.996 1.00 0.00 O ATOM 0 H GLU A 10 -0.521 6.676 1.572 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.445 4.621 1.565 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.625 7.348 2.927 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.483 5.898 3.409 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.101 4.783 3.549 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.483 6.422 3.518 1.00 0.00 H new ATOM 154 N GLN A 11 -3.988 5.415 -0.285 1.00 0.00 N ATOM 155 CA GLN A 11 -5.105 5.833 -1.190 1.00 0.00 C ATOM 156 C GLN A 11 -6.304 4.917 -1.006 1.00 0.00 C ATOM 157 O GLN A 11 -6.186 3.833 -0.473 1.00 0.00 O ATOM 158 CB GLN A 11 -4.631 5.744 -2.637 1.00 0.00 C ATOM 159 CG GLN A 11 -5.290 6.860 -3.452 1.00 0.00 C ATOM 160 CD GLN A 11 -5.227 6.506 -4.939 1.00 0.00 C ATOM 161 OE1 GLN A 11 -6.009 5.722 -5.436 1.00 0.00 O ATOM 162 NE2 GLN A 11 -4.310 7.063 -5.683 1.00 0.00 N ATOM 0 H GLN A 11 -3.589 4.497 -0.480 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.396 6.855 -0.947 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.546 5.836 -2.683 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.887 4.771 -3.057 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.327 6.989 -3.141 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.782 7.807 -3.270 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.650 7.723 -5.271 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.254 6.839 -6.676 1.00 0.00 H new ATOM 171 N TRP A 12 -7.435 5.364 -1.455 1.00 0.00 N ATOM 172 CA TRP A 12 -8.650 4.528 -1.310 1.00 0.00 C ATOM 173 C TRP A 12 -8.492 3.223 -2.063 1.00 0.00 C ATOM 174 O TRP A 12 -8.066 3.207 -3.201 1.00 0.00 O ATOM 175 CB TRP A 12 -9.849 5.260 -1.881 1.00 0.00 C ATOM 176 CG TRP A 12 -11.061 4.322 -1.838 1.00 0.00 C ATOM 177 CD1 TRP A 12 -11.493 3.594 -2.868 1.00 0.00 C ATOM 178 CD2 TRP A 12 -11.834 4.151 -0.792 1.00 0.00 C ATOM 179 NE1 TRP A 12 -12.588 2.979 -2.382 1.00 0.00 N ATOM 180 CE2 TRP A 12 -12.872 3.285 -1.073 1.00 0.00 C ATOM 181 CE3 TRP A 12 -11.713 4.694 0.468 1.00 0.00 C ATOM 182 CZ2 TRP A 12 -13.795 2.977 -0.100 1.00 0.00 C ATOM 183 CZ3 TRP A 12 -12.632 4.383 1.447 1.00 0.00 C ATOM 184 CH2 TRP A 12 -13.677 3.524 1.162 1.00 0.00 C ATOM 0 H TRP A 12 -7.572 6.265 -1.913 1.00 0.00 H new ATOM 0 HA TRP A 12 -8.796 4.325 -0.249 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -10.050 6.164 -1.306 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -9.649 5.572 -2.906 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -11.066 3.516 -3.857 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -13.158 2.341 -2.938 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.896 5.365 0.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -14.612 2.307 -0.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -12.536 4.809 2.435 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -14.401 3.281 1.926 1.00 0.00 H new ATOM 195 N THR A 13 -8.835 2.153 -1.413 1.00 0.00 N ATOM 196 CA THR A 13 -8.749 0.841 -2.090 1.00 0.00 C ATOM 197 C THR A 13 -9.922 -0.034 -1.645 1.00 0.00 C ATOM 198 O THR A 13 -10.047 -0.375 -0.483 1.00 0.00 O ATOM 199 CB THR A 13 -7.415 0.167 -1.750 1.00 0.00 C ATOM 200 OG1 THR A 13 -7.369 -0.985 -2.586 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.401 -0.372 -0.326 1.00 0.00 C ATOM 0 H THR A 13 -9.169 2.131 -0.449 1.00 0.00 H new ATOM 0 HA THR A 13 -8.799 0.980 -3.170 1.00 0.00 H new ATOM 0 HB THR A 13 -6.599 0.879 -1.874 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.346 -1.792 -2.030 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.438 -0.842 -0.124 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.558 0.448 0.375 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.196 -1.108 -0.208 1.00 0.00 H new ATOM 209 N LYS A 14 -10.769 -0.362 -2.581 1.00 0.00 N ATOM 210 CA LYS A 14 -11.947 -1.202 -2.240 1.00 0.00 C ATOM 211 C LYS A 14 -11.490 -2.552 -1.668 1.00 0.00 C ATOM 212 O LYS A 14 -12.271 -3.277 -1.085 1.00 0.00 O ATOM 213 CB LYS A 14 -12.784 -1.425 -3.499 1.00 0.00 C ATOM 214 CG LYS A 14 -13.236 -0.069 -4.048 1.00 0.00 C ATOM 215 CD LYS A 14 -14.505 -0.263 -4.883 1.00 0.00 C ATOM 216 CE LYS A 14 -14.912 1.077 -5.501 1.00 0.00 C ATOM 217 NZ LYS A 14 -15.869 0.866 -6.624 1.00 0.00 N ATOM 0 H LYS A 14 -10.696 -0.086 -3.560 1.00 0.00 H new ATOM 0 HA LYS A 14 -12.548 -0.693 -1.486 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -12.200 -1.958 -4.249 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.650 -2.045 -3.269 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.428 0.623 -3.228 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -12.448 0.371 -4.659 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -14.330 -1.000 -5.667 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.311 -0.648 -4.258 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.369 1.711 -4.741 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.027 1.601 -5.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.482 1.701 -6.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.341 0.721 -7.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -16.454 0.028 -6.429 1.00 0.00 H new ATOM 231 N CYS A 15 -10.231 -2.856 -1.854 1.00 0.00 N ATOM 232 CA CYS A 15 -9.695 -4.145 -1.325 1.00 0.00 C ATOM 233 C CYS A 15 -8.298 -3.930 -0.735 1.00 0.00 C ATOM 234 O CYS A 15 -7.331 -3.801 -1.460 1.00 0.00 O ATOM 235 CB CYS A 15 -9.610 -5.158 -2.463 1.00 0.00 C ATOM 236 SG CYS A 15 -8.260 -6.364 -2.398 1.00 0.00 S ATOM 0 H CYS A 15 -9.555 -2.271 -2.346 1.00 0.00 H new ATOM 0 HA CYS A 15 -10.359 -4.516 -0.545 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -10.551 -5.706 -2.498 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -9.526 -4.607 -3.400 1.00 0.00 H new ATOM 241 N GLY A 16 -8.221 -3.894 0.566 1.00 0.00 N ATOM 242 CA GLY A 16 -6.896 -3.687 1.211 1.00 0.00 C ATOM 243 C GLY A 16 -6.225 -5.030 1.500 1.00 0.00 C ATOM 244 O GLY A 16 -6.574 -6.039 0.917 1.00 0.00 O ATOM 0 H GLY A 16 -9.010 -3.998 1.204 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.258 -3.088 0.561 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.020 -3.129 2.139 1.00 0.00 H new ATOM 248 N GLY A 17 -5.272 -5.013 2.397 1.00 0.00 N ATOM 249 CA GLY A 17 -4.555 -6.275 2.745 1.00 0.00 C ATOM 250 C GLY A 17 -3.047 -6.029 2.795 1.00 0.00 C ATOM 251 O GLY A 17 -2.601 -5.000 3.261 1.00 0.00 O ATOM 0 H GLY A 17 -4.961 -4.183 2.901 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.903 -6.645 3.709 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.781 -7.045 2.008 1.00 0.00 H new ATOM 255 N CYS A 18 -2.293 -6.978 2.312 1.00 0.00 N ATOM 256 CA CYS A 18 -0.810 -6.809 2.322 1.00 0.00 C ATOM 257 C CYS A 18 -0.363 -6.031 1.082 1.00 0.00 C ATOM 258 O CYS A 18 -1.177 -5.576 0.305 1.00 0.00 O ATOM 259 CB CYS A 18 -0.143 -8.184 2.322 1.00 0.00 C ATOM 260 SG CYS A 18 -1.026 -9.544 3.122 1.00 0.00 S ATOM 0 H CYS A 18 -2.633 -7.854 1.915 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.520 -6.257 3.216 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.042 -8.467 1.286 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.830 -8.085 2.804 1.00 0.00 H new ATOM 265 N GLU A 19 0.922 -5.897 0.927 1.00 0.00 N ATOM 266 CA GLU A 19 1.442 -5.157 -0.258 1.00 0.00 C ATOM 267 C GLU A 19 2.831 -5.682 -0.633 1.00 0.00 C ATOM 268 O GLU A 19 3.230 -6.746 -0.204 1.00 0.00 O ATOM 269 CB GLU A 19 1.531 -3.667 0.076 1.00 0.00 C ATOM 270 CG GLU A 19 0.846 -2.862 -1.031 1.00 0.00 C ATOM 271 CD GLU A 19 -0.666 -3.078 -0.950 1.00 0.00 C ATOM 272 OE1 GLU A 19 -1.194 -2.818 0.119 1.00 0.00 O ATOM 273 OE2 GLU A 19 -1.210 -3.490 -1.961 1.00 0.00 O ATOM 0 H GLU A 19 1.631 -6.263 1.562 1.00 0.00 H new ATOM 0 HA GLU A 19 0.766 -5.305 -1.100 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.054 -3.468 1.036 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.574 -3.365 0.170 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.080 -1.803 -0.924 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.218 -3.174 -2.007 1.00 0.00 H new ATOM 280 N GLY A 20 3.537 -4.922 -1.426 1.00 0.00 N ATOM 281 CA GLY A 20 4.898 -5.360 -1.842 1.00 0.00 C ATOM 282 C GLY A 20 5.967 -4.664 -1.007 1.00 0.00 C ATOM 283 O GLY A 20 5.674 -4.042 -0.004 1.00 0.00 O ATOM 0 H GLY A 20 3.232 -4.024 -1.801 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.988 -6.440 -1.729 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.051 -5.136 -2.898 1.00 0.00 H new ATOM 287 N THR A 21 7.188 -4.784 -1.440 1.00 0.00 N ATOM 288 CA THR A 21 8.302 -4.136 -0.694 1.00 0.00 C ATOM 289 C THR A 21 9.367 -3.648 -1.676 1.00 0.00 C ATOM 290 O THR A 21 9.181 -3.708 -2.875 1.00 0.00 O ATOM 291 CB THR A 21 8.917 -5.151 0.271 1.00 0.00 C ATOM 292 OG1 THR A 21 8.726 -6.413 -0.360 1.00 0.00 O ATOM 293 CG2 THR A 21 8.131 -5.230 1.577 1.00 0.00 C ATOM 0 H THR A 21 7.464 -5.301 -2.275 1.00 0.00 H new ATOM 0 HA THR A 21 7.918 -3.283 -0.133 1.00 0.00 H new ATOM 0 HB THR A 21 9.951 -4.881 0.486 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.100 -7.121 0.205 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.597 -5.961 2.238 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.129 -4.253 2.060 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.105 -5.533 1.367 1.00 0.00 H new ATOM 301 N CYS A 22 10.465 -3.177 -1.153 1.00 0.00 N ATOM 302 CA CYS A 22 11.539 -2.686 -2.056 1.00 0.00 C ATOM 303 C CYS A 22 12.254 -3.877 -2.698 1.00 0.00 C ATOM 304 O CYS A 22 13.244 -3.716 -3.383 1.00 0.00 O ATOM 305 CB CYS A 22 12.538 -1.855 -1.254 1.00 0.00 C ATOM 306 SG CYS A 22 13.550 -0.674 -2.167 1.00 0.00 S ATOM 0 H CYS A 22 10.662 -3.112 -0.154 1.00 0.00 H new ATOM 0 HA CYS A 22 11.101 -2.067 -2.839 1.00 0.00 H new ATOM 0 HB2 CYS A 22 11.985 -1.307 -0.491 1.00 0.00 H new ATOM 0 HB3 CYS A 22 13.206 -2.541 -0.733 1.00 0.00 H new ATOM 311 N ALA A 23 11.730 -5.050 -2.453 1.00 0.00 N ATOM 312 CA ALA A 23 12.357 -6.273 -3.031 1.00 0.00 C ATOM 313 C ALA A 23 11.279 -7.260 -3.515 1.00 0.00 C ATOM 314 O ALA A 23 11.587 -8.261 -4.130 1.00 0.00 O ATOM 315 CB ALA A 23 13.210 -6.941 -1.955 1.00 0.00 C ATOM 0 H ALA A 23 10.901 -5.212 -1.882 1.00 0.00 H new ATOM 0 HA ALA A 23 12.973 -5.990 -3.884 1.00 0.00 H new ATOM 0 HB1 ALA A 23 13.675 -7.838 -2.364 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.985 -6.250 -1.623 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.580 -7.213 -1.108 1.00 0.00 H new ATOM 321 N GLN A 24 10.037 -6.954 -3.233 1.00 0.00 N ATOM 322 CA GLN A 24 8.937 -7.869 -3.667 1.00 0.00 C ATOM 323 C GLN A 24 7.680 -7.059 -4.008 1.00 0.00 C ATOM 324 O GLN A 24 6.831 -6.838 -3.167 1.00 0.00 O ATOM 325 CB GLN A 24 8.616 -8.848 -2.534 1.00 0.00 C ATOM 326 CG GLN A 24 9.387 -10.154 -2.757 1.00 0.00 C ATOM 327 CD GLN A 24 8.775 -10.906 -3.942 1.00 0.00 C ATOM 328 OE1 GLN A 24 9.178 -12.005 -4.268 1.00 0.00 O ATOM 329 NE2 GLN A 24 7.803 -10.349 -4.612 1.00 0.00 N ATOM 0 H GLN A 24 9.739 -6.120 -2.727 1.00 0.00 H new ATOM 0 HA GLN A 24 9.259 -8.418 -4.552 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.888 -8.411 -1.573 1.00 0.00 H new ATOM 0 HB3 GLN A 24 7.545 -9.046 -2.502 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.438 -9.941 -2.950 1.00 0.00 H new ATOM 0 HG3 GLN A 24 9.347 -10.771 -1.860 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.461 -9.427 -4.343 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.386 -10.836 -5.405 1.00 0.00 H new ATOM 338 N LYS A 25 7.592 -6.637 -5.238 1.00 0.00 N ATOM 339 CA LYS A 25 6.403 -5.840 -5.663 1.00 0.00 C ATOM 340 C LYS A 25 5.111 -6.463 -5.115 1.00 0.00 C ATOM 341 O LYS A 25 4.130 -5.777 -4.907 1.00 0.00 O ATOM 342 CB LYS A 25 6.344 -5.811 -7.189 1.00 0.00 C ATOM 343 CG LYS A 25 5.344 -4.741 -7.632 1.00 0.00 C ATOM 344 CD LYS A 25 6.103 -3.472 -8.029 1.00 0.00 C ATOM 345 CE LYS A 25 6.683 -3.646 -9.435 1.00 0.00 C ATOM 346 NZ LYS A 25 5.819 -2.970 -10.442 1.00 0.00 N ATOM 0 H LYS A 25 8.286 -6.807 -5.965 1.00 0.00 H new ATOM 0 HA LYS A 25 6.495 -4.828 -5.270 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.331 -5.596 -7.599 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.045 -6.787 -7.572 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.754 -5.104 -8.474 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.646 -4.523 -6.824 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.434 -2.612 -8.003 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.903 -3.275 -7.315 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.690 -3.231 -9.474 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.766 -4.707 -9.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.226 -3.097 -11.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.866 -3.385 -10.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.761 -1.955 -10.224 1.00 0.00 H new ATOM 360 N ILE A 26 5.135 -7.754 -4.909 1.00 0.00 N ATOM 361 CA ILE A 26 3.924 -8.435 -4.369 1.00 0.00 C ATOM 362 C ILE A 26 4.333 -9.507 -3.349 1.00 0.00 C ATOM 363 O ILE A 26 5.044 -10.436 -3.673 1.00 0.00 O ATOM 364 CB ILE A 26 3.174 -9.083 -5.528 1.00 0.00 C ATOM 365 CG1 ILE A 26 2.932 -8.027 -6.614 1.00 0.00 C ATOM 366 CG2 ILE A 26 1.826 -9.626 -5.036 1.00 0.00 C ATOM 367 CD1 ILE A 26 2.049 -8.622 -7.712 1.00 0.00 C ATOM 0 H ILE A 26 5.934 -8.361 -5.090 1.00 0.00 H new ATOM 0 HA ILE A 26 3.284 -7.708 -3.869 1.00 0.00 H new ATOM 0 HB ILE A 26 3.764 -9.906 -5.932 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.452 -7.148 -6.182 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.882 -7.697 -7.035 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.294 -10.088 -5.868 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.996 -10.369 -4.257 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.229 -8.808 -4.634 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.876 -7.873 -8.485 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.546 -9.487 -8.150 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.095 -8.930 -7.285 1.00 0.00 H new ATOM 379 N VAL A 27 3.870 -9.353 -2.137 1.00 0.00 N ATOM 380 CA VAL A 27 4.219 -10.353 -1.086 1.00 0.00 C ATOM 381 C VAL A 27 3.083 -11.417 -0.979 1.00 0.00 C ATOM 382 O VAL A 27 1.922 -11.059 -0.943 1.00 0.00 O ATOM 383 CB VAL A 27 4.354 -9.618 0.252 1.00 0.00 C ATOM 384 CG1 VAL A 27 2.959 -9.265 0.773 1.00 0.00 C ATOM 385 CG2 VAL A 27 5.058 -10.519 1.268 1.00 0.00 C ATOM 0 H VAL A 27 3.271 -8.586 -1.831 1.00 0.00 H new ATOM 0 HA VAL A 27 5.154 -10.853 -1.340 1.00 0.00 H new ATOM 0 HB VAL A 27 4.939 -8.709 0.109 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.048 -8.742 1.725 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.453 -8.623 0.052 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.381 -10.179 0.914 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.152 -9.992 2.218 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.475 -11.428 1.413 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.050 -10.779 0.898 1.00 0.00 H new ATOM 395 N PRO A 28 3.425 -12.715 -0.932 1.00 0.00 N ATOM 396 CA PRO A 28 2.396 -13.762 -0.828 1.00 0.00 C ATOM 397 C PRO A 28 1.521 -13.548 0.417 1.00 0.00 C ATOM 398 O PRO A 28 2.003 -13.151 1.459 1.00 0.00 O ATOM 399 CB PRO A 28 3.165 -15.084 -0.720 1.00 0.00 C ATOM 400 CG PRO A 28 4.684 -14.747 -0.785 1.00 0.00 C ATOM 401 CD PRO A 28 4.813 -13.225 -0.973 1.00 0.00 C ATOM 0 HA PRO A 28 1.726 -13.750 -1.688 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.924 -15.593 0.214 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.886 -15.757 -1.531 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.186 -15.064 0.129 1.00 0.00 H new ATOM 0 HG3 PRO A 28 5.159 -15.277 -1.611 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.420 -12.780 -0.185 1.00 0.00 H new ATOM 0 HD3 PRO A 28 5.294 -12.984 -1.921 1.00 0.00 H new ATOM 409 N CYS A 29 0.251 -13.819 0.277 1.00 0.00 N ATOM 410 CA CYS A 29 -0.672 -13.643 1.438 1.00 0.00 C ATOM 411 C CYS A 29 -1.967 -14.428 1.207 1.00 0.00 C ATOM 412 O CYS A 29 -2.614 -14.276 0.192 1.00 0.00 O ATOM 413 CB CYS A 29 -1.001 -12.159 1.598 1.00 0.00 C ATOM 414 SG CYS A 29 0.077 -11.177 2.671 1.00 0.00 S ATOM 0 H CYS A 29 -0.185 -14.152 -0.583 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.187 -14.016 2.340 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.995 -11.704 0.607 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.019 -12.079 1.979 1.00 0.00 H new ATOM 419 N THR A 30 -2.316 -15.252 2.156 1.00 0.00 N ATOM 420 CA THR A 30 -3.568 -16.050 2.004 1.00 0.00 C ATOM 421 C THR A 30 -4.787 -15.183 2.333 1.00 0.00 C ATOM 422 O THR A 30 -5.913 -15.633 2.249 1.00 0.00 O ATOM 423 CB THR A 30 -3.519 -17.247 2.956 1.00 0.00 C ATOM 424 OG1 THR A 30 -3.501 -16.676 4.261 1.00 0.00 O ATOM 425 CG2 THR A 30 -2.202 -18.009 2.831 1.00 0.00 C ATOM 0 H THR A 30 -1.797 -15.407 3.020 1.00 0.00 H new ATOM 0 HA THR A 30 -3.650 -16.399 0.975 1.00 0.00 H new ATOM 0 HB THR A 30 -4.350 -17.921 2.747 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.471 -17.391 4.931 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.203 -18.852 3.522 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.089 -18.376 1.811 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.373 -17.344 3.071 1.00 0.00 H new ATOM 433 N ARG A 31 -4.535 -13.955 2.700 1.00 0.00 N ATOM 434 CA ARG A 31 -5.666 -13.043 3.036 1.00 0.00 C ATOM 435 C ARG A 31 -6.605 -12.901 1.832 1.00 0.00 C ATOM 436 O ARG A 31 -6.417 -13.547 0.819 1.00 0.00 O ATOM 437 CB ARG A 31 -5.107 -11.671 3.408 1.00 0.00 C ATOM 438 CG ARG A 31 -4.675 -11.687 4.877 1.00 0.00 C ATOM 439 CD ARG A 31 -3.620 -10.602 5.104 1.00 0.00 C ATOM 440 NE ARG A 31 -3.615 -10.225 6.546 1.00 0.00 N ATOM 441 CZ ARG A 31 -3.358 -8.991 6.884 1.00 0.00 C ATOM 442 NH1 ARG A 31 -2.422 -8.345 6.246 1.00 0.00 N ATOM 443 NH2 ARG A 31 -4.045 -8.446 7.850 1.00 0.00 N ATOM 0 H ARG A 31 -3.604 -13.547 2.781 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.226 -13.458 3.874 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.259 -11.425 2.769 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.862 -10.901 3.246 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.536 -11.515 5.523 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.270 -12.665 5.139 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.636 -10.965 4.806 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.838 -9.730 4.487 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.811 -10.925 7.262 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.905 -8.805 5.497 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.207 -7.380 6.496 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.769 -8.983 8.327 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.858 -7.483 8.128 1.00 0.00 H new ATOM 457 N GLU A 32 -7.595 -12.056 1.977 1.00 0.00 N ATOM 458 CA GLU A 32 -8.568 -11.846 0.856 1.00 0.00 C ATOM 459 C GLU A 32 -8.543 -10.385 0.402 1.00 0.00 C ATOM 460 O GLU A 32 -7.963 -10.058 -0.615 1.00 0.00 O ATOM 461 CB GLU A 32 -9.971 -12.206 1.345 1.00 0.00 C ATOM 462 CG GLU A 32 -9.960 -13.634 1.895 1.00 0.00 C ATOM 463 CD GLU A 32 -9.720 -13.591 3.405 1.00 0.00 C ATOM 464 OE1 GLU A 32 -9.083 -12.640 3.825 1.00 0.00 O ATOM 465 OE2 GLU A 32 -10.188 -14.513 4.054 1.00 0.00 O ATOM 0 H GLU A 32 -7.773 -11.505 2.817 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.292 -12.479 0.013 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.290 -11.508 2.119 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.687 -12.124 0.527 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.908 -14.126 1.680 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.179 -14.218 1.407 1.00 0.00 H new ATOM 472 N CYS A 33 -9.171 -9.536 1.168 1.00 0.00 N ATOM 473 CA CYS A 33 -9.198 -8.089 0.799 1.00 0.00 C ATOM 474 C CYS A 33 -9.835 -7.273 1.927 1.00 0.00 C ATOM 475 O CYS A 33 -11.043 -7.228 2.054 1.00 0.00 O ATOM 476 CB CYS A 33 -10.023 -7.911 -0.479 1.00 0.00 C ATOM 477 SG CYS A 33 -9.177 -8.134 -2.064 1.00 0.00 S ATOM 0 H CYS A 33 -9.664 -9.777 2.028 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.178 -7.741 0.636 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -10.856 -8.613 -0.441 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -10.451 -6.909 -0.465 1.00 0.00 H new ATOM 482 N LYS A 34 -9.014 -6.645 2.726 1.00 0.00 N ATOM 483 CA LYS A 34 -9.570 -5.829 3.845 1.00 0.00 C ATOM 484 C LYS A 34 -10.728 -4.954 3.313 1.00 0.00 C ATOM 485 O LYS A 34 -10.789 -4.674 2.133 1.00 0.00 O ATOM 486 CB LYS A 34 -8.462 -4.937 4.403 1.00 0.00 C ATOM 487 CG LYS A 34 -7.863 -5.598 5.645 1.00 0.00 C ATOM 488 CD LYS A 34 -6.638 -4.799 6.101 1.00 0.00 C ATOM 489 CE LYS A 34 -7.069 -3.376 6.467 1.00 0.00 C ATOM 490 NZ LYS A 34 -7.056 -2.499 5.262 1.00 0.00 N ATOM 0 H LYS A 34 -7.997 -6.660 2.655 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.947 -6.481 4.633 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.689 -4.782 3.650 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.862 -3.955 4.656 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.604 -5.637 6.443 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.579 -6.627 5.423 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.173 -5.283 6.960 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.891 -4.772 5.308 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.069 -3.393 6.901 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.399 -2.971 7.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.459 -1.667 5.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.675 -3.028 4.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.025 -2.189 5.048 1.00 0.00 H new ATOM 504 N PRO A 35 -11.630 -4.536 4.192 1.00 0.00 N ATOM 505 CA PRO A 35 -12.764 -3.703 3.772 1.00 0.00 C ATOM 506 C PRO A 35 -12.270 -2.419 3.066 1.00 0.00 C ATOM 507 O PRO A 35 -11.108 -2.075 3.145 1.00 0.00 O ATOM 508 CB PRO A 35 -13.506 -3.349 5.067 1.00 0.00 C ATOM 509 CG PRO A 35 -12.737 -4.022 6.243 1.00 0.00 C ATOM 510 CD PRO A 35 -11.588 -4.843 5.633 1.00 0.00 C ATOM 0 HA PRO A 35 -13.405 -4.224 3.061 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.546 -2.268 5.203 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.536 -3.704 5.029 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -12.348 -3.269 6.928 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -13.403 -4.664 6.819 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -10.628 -4.565 6.069 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.724 -5.909 5.814 1.00 0.00 H new ATOM 518 N PRO A 36 -13.177 -1.736 2.386 1.00 0.00 N ATOM 519 CA PRO A 36 -12.841 -0.489 1.678 1.00 0.00 C ATOM 520 C PRO A 36 -12.270 0.559 2.642 1.00 0.00 C ATOM 521 O PRO A 36 -12.916 0.929 3.602 1.00 0.00 O ATOM 522 CB PRO A 36 -14.170 0.011 1.102 1.00 0.00 C ATOM 523 CG PRO A 36 -15.271 -1.013 1.495 1.00 0.00 C ATOM 524 CD PRO A 36 -14.588 -2.149 2.272 1.00 0.00 C ATOM 0 HA PRO A 36 -12.085 -0.659 0.912 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.409 0.999 1.495 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.105 0.106 0.018 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -16.037 -0.537 2.107 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.769 -1.401 0.606 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.041 -2.284 3.254 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.680 -3.099 1.746 1.00 0.00 H new ATOM 532 N ARG A 37 -11.078 1.025 2.360 1.00 0.00 N ATOM 533 CA ARG A 37 -10.465 2.055 3.264 1.00 0.00 C ATOM 534 C ARG A 37 -9.144 2.577 2.676 1.00 0.00 C ATOM 535 O ARG A 37 -8.553 1.953 1.823 1.00 0.00 O ATOM 536 CB ARG A 37 -10.189 1.422 4.634 1.00 0.00 C ATOM 537 CG ARG A 37 -9.578 2.471 5.567 1.00 0.00 C ATOM 538 CD ARG A 37 -10.020 2.182 7.003 1.00 0.00 C ATOM 539 NE ARG A 37 -10.054 0.709 7.214 1.00 0.00 N ATOM 540 CZ ARG A 37 -10.643 0.228 8.275 1.00 0.00 C ATOM 541 NH1 ARG A 37 -10.564 0.893 9.396 1.00 0.00 N ATOM 542 NH2 ARG A 37 -11.291 -0.901 8.181 1.00 0.00 N ATOM 0 H ARG A 37 -10.510 0.746 1.560 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.159 2.890 3.365 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.114 1.035 5.061 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -9.510 0.576 4.526 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.490 2.449 5.497 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.896 3.470 5.269 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -9.332 2.647 7.709 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -11.005 2.611 7.187 1.00 0.00 H new ATOM 0 HE ARG A 37 -9.621 0.082 6.536 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.049 1.772 9.432 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.018 0.533 10.236 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -11.331 -1.393 7.288 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.757 -1.291 9.000 1.00 0.00 H new ATOM 556 N CYS A 38 -8.721 3.726 3.138 1.00 0.00 N ATOM 557 CA CYS A 38 -7.427 4.289 2.638 1.00 0.00 C ATOM 558 C CYS A 38 -6.274 3.352 3.017 1.00 0.00 C ATOM 559 O CYS A 38 -6.144 2.963 4.161 1.00 0.00 O ATOM 560 CB CYS A 38 -7.198 5.663 3.269 1.00 0.00 C ATOM 561 SG CYS A 38 -8.238 7.031 2.693 1.00 0.00 S ATOM 0 H CYS A 38 -9.208 4.294 3.831 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.468 4.386 1.553 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.336 5.566 4.346 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.157 5.940 3.104 1.00 0.00 H new ATOM 566 N GLU A 39 -5.462 3.009 2.052 1.00 0.00 N ATOM 567 CA GLU A 39 -4.322 2.088 2.360 1.00 0.00 C ATOM 568 C GLU A 39 -3.290 2.093 1.225 1.00 0.00 C ATOM 569 O GLU A 39 -3.377 2.878 0.302 1.00 0.00 O ATOM 570 CB GLU A 39 -4.864 0.673 2.547 1.00 0.00 C ATOM 571 CG GLU A 39 -4.242 0.060 3.804 1.00 0.00 C ATOM 572 CD GLU A 39 -4.608 -1.423 3.879 1.00 0.00 C ATOM 573 OE1 GLU A 39 -5.110 -1.908 2.877 1.00 0.00 O ATOM 574 OE2 GLU A 39 -4.363 -1.987 4.932 1.00 0.00 O ATOM 0 H GLU A 39 -5.533 3.318 1.082 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.831 2.430 3.271 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.950 0.695 2.638 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.629 0.062 1.675 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.159 0.178 3.782 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.601 0.580 4.692 1.00 0.00 H new ATOM 581 N CYS A 40 -2.336 1.205 1.323 1.00 0.00 N ATOM 582 CA CYS A 40 -1.276 1.135 0.271 1.00 0.00 C ATOM 583 C CYS A 40 -1.808 0.450 -0.993 1.00 0.00 C ATOM 584 O CYS A 40 -2.835 -0.200 -0.965 1.00 0.00 O ATOM 585 CB CYS A 40 -0.092 0.341 0.816 1.00 0.00 C ATOM 586 SG CYS A 40 1.540 0.703 0.127 1.00 0.00 S ATOM 0 H CYS A 40 -2.244 0.528 2.081 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.968 2.148 0.011 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.046 0.501 1.893 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.296 -0.718 0.660 1.00 0.00 H new ATOM 591 N ILE A 41 -1.084 0.608 -2.075 1.00 0.00 N ATOM 592 CA ILE A 41 -1.521 -0.017 -3.362 1.00 0.00 C ATOM 593 C ILE A 41 -0.313 -0.636 -4.085 1.00 0.00 C ATOM 594 O ILE A 41 0.548 0.067 -4.570 1.00 0.00 O ATOM 595 CB ILE A 41 -2.145 1.063 -4.253 1.00 0.00 C ATOM 596 CG1 ILE A 41 -3.300 1.736 -3.501 1.00 0.00 C ATOM 597 CG2 ILE A 41 -2.682 0.418 -5.537 1.00 0.00 C ATOM 598 CD1 ILE A 41 -2.792 3.021 -2.838 1.00 0.00 C ATOM 0 H ILE A 41 -0.215 1.139 -2.122 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.250 -0.800 -3.154 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.390 1.807 -4.507 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.113 1.965 -4.190 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.702 1.059 -2.748 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.126 1.185 -6.171 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.864 -0.066 -6.071 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.438 -0.325 -5.282 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.610 3.502 -2.302 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.993 2.778 -2.137 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.411 3.698 -3.602 1.00 0.00 H new ATOM 610 N ALA A 42 -0.278 -1.938 -4.145 1.00 0.00 N ATOM 611 CA ALA A 42 0.870 -2.604 -4.833 1.00 0.00 C ATOM 612 C ALA A 42 0.716 -2.492 -6.354 1.00 0.00 C ATOM 613 O ALA A 42 1.681 -2.294 -7.066 1.00 0.00 O ATOM 614 CB ALA A 42 0.903 -4.080 -4.437 1.00 0.00 C ATOM 0 H ALA A 42 -0.982 -2.565 -3.755 1.00 0.00 H new ATOM 0 HA ALA A 42 1.797 -2.115 -4.534 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.738 -4.572 -4.936 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.024 -4.164 -3.357 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.030 -4.558 -4.736 1.00 0.00 H new ATOM 620 N SER A 43 -0.497 -2.616 -6.817 1.00 0.00 N ATOM 621 CA SER A 43 -0.737 -2.529 -8.287 1.00 0.00 C ATOM 622 C SER A 43 -0.255 -1.182 -8.835 1.00 0.00 C ATOM 623 O SER A 43 -0.236 -0.970 -10.032 1.00 0.00 O ATOM 624 CB SER A 43 -2.234 -2.680 -8.558 1.00 0.00 C ATOM 625 OG SER A 43 -2.641 -3.718 -7.679 1.00 0.00 O ATOM 0 H SER A 43 -1.328 -2.773 -6.247 1.00 0.00 H new ATOM 0 HA SER A 43 -0.182 -3.325 -8.783 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.771 -1.753 -8.357 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.427 -2.940 -9.599 1.00 0.00 H new ATOM 0 HG SER A 43 -3.601 -3.881 -7.787 1.00 0.00 H new ATOM 631 N ALA A 44 0.130 -0.301 -7.947 1.00 0.00 N ATOM 632 CA ALA A 44 0.610 1.040 -8.404 1.00 0.00 C ATOM 633 C ALA A 44 2.140 1.101 -8.367 1.00 0.00 C ATOM 634 O ALA A 44 2.762 1.618 -9.272 1.00 0.00 O ATOM 635 CB ALA A 44 0.040 2.115 -7.482 1.00 0.00 C ATOM 0 H ALA A 44 0.134 -0.448 -6.938 1.00 0.00 H new ATOM 0 HA ALA A 44 0.276 1.207 -9.428 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.386 3.096 -7.809 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.049 2.084 -7.517 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.376 1.934 -6.461 1.00 0.00 H new ATOM 641 N GLY A 45 2.709 0.563 -7.318 1.00 0.00 N ATOM 642 CA GLY A 45 4.200 0.576 -7.192 1.00 0.00 C ATOM 643 C GLY A 45 4.619 1.079 -5.806 1.00 0.00 C ATOM 644 O GLY A 45 5.738 1.515 -5.615 1.00 0.00 O ATOM 0 H GLY A 45 2.210 0.118 -6.548 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.593 -0.428 -7.355 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.630 1.216 -7.963 1.00 0.00 H new ATOM 648 N PHE A 46 3.711 1.013 -4.871 1.00 0.00 N ATOM 649 CA PHE A 46 4.045 1.480 -3.493 1.00 0.00 C ATOM 650 C PHE A 46 4.664 0.329 -2.687 1.00 0.00 C ATOM 651 O PHE A 46 4.129 -0.760 -2.656 1.00 0.00 O ATOM 652 CB PHE A 46 2.767 1.959 -2.804 1.00 0.00 C ATOM 653 CG PHE A 46 2.316 3.281 -3.433 1.00 0.00 C ATOM 654 CD1 PHE A 46 2.890 4.476 -3.041 1.00 0.00 C ATOM 655 CD2 PHE A 46 1.326 3.299 -4.403 1.00 0.00 C ATOM 656 CE1 PHE A 46 2.480 5.668 -3.606 1.00 0.00 C ATOM 657 CE2 PHE A 46 0.919 4.492 -4.965 1.00 0.00 C ATOM 658 CZ PHE A 46 1.497 5.674 -4.567 1.00 0.00 C ATOM 0 H PHE A 46 2.762 0.660 -4.998 1.00 0.00 H new ATOM 0 HA PHE A 46 4.762 2.299 -3.550 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.983 1.209 -2.905 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.944 2.093 -1.737 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.664 4.478 -2.288 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.870 2.373 -4.721 1.00 0.00 H new ATOM 0 HE1 PHE A 46 2.933 6.597 -3.292 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.145 4.497 -5.719 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.179 6.607 -5.009 1.00 0.00 H new ATOM 668 N VAL A 47 5.782 0.603 -2.055 1.00 0.00 N ATOM 669 CA VAL A 47 6.460 -0.467 -1.251 1.00 0.00 C ATOM 670 C VAL A 47 6.358 -0.165 0.242 1.00 0.00 C ATOM 671 O VAL A 47 6.091 0.950 0.635 1.00 0.00 O ATOM 672 CB VAL A 47 7.932 -0.531 -1.647 1.00 0.00 C ATOM 673 CG1 VAL A 47 8.040 -0.999 -3.091 1.00 0.00 C ATOM 674 CG2 VAL A 47 8.554 0.858 -1.524 1.00 0.00 C ATOM 0 H VAL A 47 6.250 1.509 -2.060 1.00 0.00 H new ATOM 0 HA VAL A 47 5.971 -1.420 -1.451 1.00 0.00 H new ATOM 0 HB VAL A 47 8.456 -1.225 -0.991 1.00 0.00 H new ATOM 0 HG11 VAL A 47 9.090 -1.047 -3.380 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.591 -1.988 -3.188 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.516 -0.298 -3.741 1.00 0.00 H new ATOM 0 HG21 VAL A 47 9.606 0.812 -1.807 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.031 1.551 -2.183 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.470 1.204 -0.494 1.00 0.00 H new ATOM 684 N ARG A 48 6.581 -1.176 1.043 1.00 0.00 N ATOM 685 CA ARG A 48 6.510 -0.980 2.519 1.00 0.00 C ATOM 686 C ARG A 48 7.920 -1.003 3.120 1.00 0.00 C ATOM 687 O ARG A 48 8.595 -2.013 3.081 1.00 0.00 O ATOM 688 CB ARG A 48 5.678 -2.105 3.133 1.00 0.00 C ATOM 689 CG ARG A 48 4.194 -1.810 2.913 1.00 0.00 C ATOM 690 CD ARG A 48 3.396 -3.104 3.078 1.00 0.00 C ATOM 691 NE ARG A 48 3.839 -3.791 4.326 1.00 0.00 N ATOM 692 CZ ARG A 48 4.317 -5.003 4.255 1.00 0.00 C ATOM 693 NH1 ARG A 48 3.487 -6.009 4.225 1.00 0.00 N ATOM 694 NH2 ARG A 48 5.612 -5.168 4.214 1.00 0.00 N ATOM 0 H ARG A 48 6.808 -2.123 0.739 1.00 0.00 H new ATOM 0 HA ARG A 48 6.048 -0.016 2.733 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.943 -3.059 2.678 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.890 -2.190 4.199 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.849 -1.062 3.627 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.037 -1.396 1.917 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.329 -2.885 3.127 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.549 -3.753 2.216 1.00 0.00 H new ATOM 0 HE ARG A 48 3.769 -3.317 5.227 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.481 -5.842 4.257 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.844 -6.963 4.170 1.00 0.00 H new ATOM 0 HH21 ARG A 48 6.230 -4.357 4.238 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.005 -6.108 4.158 1.00 0.00 H new ATOM 708 N ASP A 49 8.333 0.107 3.667 1.00 0.00 N ATOM 709 CA ASP A 49 9.694 0.158 4.273 1.00 0.00 C ATOM 710 C ASP A 49 9.757 -0.785 5.474 1.00 0.00 C ATOM 711 O ASP A 49 8.748 -1.071 6.088 1.00 0.00 O ATOM 712 CB ASP A 49 9.991 1.583 4.730 1.00 0.00 C ATOM 713 CG ASP A 49 11.504 1.761 4.875 1.00 0.00 C ATOM 714 OD1 ASP A 49 12.010 1.295 5.884 1.00 0.00 O ATOM 715 OD2 ASP A 49 12.069 2.353 3.970 1.00 0.00 O ATOM 0 H ASP A 49 7.795 0.972 3.721 1.00 0.00 H new ATOM 0 HA ASP A 49 10.432 -0.150 3.533 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.596 2.299 4.009 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.497 1.783 5.681 1.00 0.00 H new ATOM 720 N ALA A 50 10.944 -1.239 5.785 1.00 0.00 N ATOM 721 CA ALA A 50 11.099 -2.172 6.937 1.00 0.00 C ATOM 722 C ALA A 50 10.275 -1.679 8.121 1.00 0.00 C ATOM 723 O ALA A 50 9.885 -2.447 8.977 1.00 0.00 O ATOM 724 CB ALA A 50 12.572 -2.239 7.334 1.00 0.00 C ATOM 0 H ALA A 50 11.807 -1.005 5.294 1.00 0.00 H new ATOM 0 HA ALA A 50 10.749 -3.163 6.648 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.691 -2.920 8.176 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.160 -2.599 6.490 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.918 -1.245 7.619 1.00 0.00 H new ATOM 730 N GLN A 51 10.028 -0.402 8.142 1.00 0.00 N ATOM 731 CA GLN A 51 9.225 0.168 9.259 1.00 0.00 C ATOM 732 C GLN A 51 7.733 0.015 8.952 1.00 0.00 C ATOM 733 O GLN A 51 6.911 0.742 9.473 1.00 0.00 O ATOM 734 CB GLN A 51 9.565 1.650 9.416 1.00 0.00 C ATOM 735 CG GLN A 51 10.946 1.783 10.058 1.00 0.00 C ATOM 736 CD GLN A 51 10.818 1.620 11.574 1.00 0.00 C ATOM 737 OE1 GLN A 51 11.715 1.953 12.323 1.00 0.00 O ATOM 738 NE2 GLN A 51 9.721 1.112 12.066 1.00 0.00 N ATOM 0 H GLN A 51 10.344 0.269 7.441 1.00 0.00 H new ATOM 0 HA GLN A 51 9.457 -0.362 10.183 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.554 2.143 8.444 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.815 2.144 10.033 1.00 0.00 H new ATOM 0 HG2 GLN A 51 11.621 1.028 9.655 1.00 0.00 H new ATOM 0 HG3 GLN A 51 11.378 2.755 9.821 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.965 0.831 11.442 1.00 0.00 H new ATOM 0 HE22 GLN A 51 9.620 0.996 13.074 1.00 0.00 H new ATOM 747 N GLY A 52 7.418 -0.932 8.111 1.00 0.00 N ATOM 748 CA GLY A 52 5.991 -1.142 7.752 1.00 0.00 C ATOM 749 C GLY A 52 5.373 0.176 7.297 1.00 0.00 C ATOM 750 O GLY A 52 4.235 0.470 7.606 1.00 0.00 O ATOM 0 H GLY A 52 8.082 -1.563 7.662 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.912 -1.885 6.958 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.444 -1.533 8.610 1.00 0.00 H new ATOM 754 N ASN A 53 6.146 0.944 6.566 1.00 0.00 N ATOM 755 CA ASN A 53 5.631 2.268 6.080 1.00 0.00 C ATOM 756 C ASN A 53 5.446 2.249 4.560 1.00 0.00 C ATOM 757 O ASN A 53 6.380 2.025 3.822 1.00 0.00 O ATOM 758 CB ASN A 53 6.632 3.359 6.452 1.00 0.00 C ATOM 759 CG ASN A 53 6.378 3.807 7.891 1.00 0.00 C ATOM 760 OD1 ASN A 53 5.608 4.712 8.142 1.00 0.00 O ATOM 761 ND2 ASN A 53 7.003 3.202 8.861 1.00 0.00 N ATOM 0 H ASN A 53 7.100 0.717 6.287 1.00 0.00 H new ATOM 0 HA ASN A 53 4.666 2.465 6.547 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.651 2.984 6.350 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.534 4.206 5.773 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.845 3.489 9.827 1.00 0.00 H new ATOM 0 HD22 ASN A 53 7.651 2.441 8.654 1.00 0.00 H new ATOM 768 N CYS A 54 4.241 2.498 4.125 1.00 0.00 N ATOM 769 CA CYS A 54 3.979 2.499 2.656 1.00 0.00 C ATOM 770 C CYS A 54 4.560 3.763 2.014 1.00 0.00 C ATOM 771 O CYS A 54 4.252 4.866 2.420 1.00 0.00 O ATOM 772 CB CYS A 54 2.473 2.451 2.413 1.00 0.00 C ATOM 773 SG CYS A 54 1.905 2.604 0.702 1.00 0.00 S ATOM 0 H CYS A 54 3.434 2.699 4.715 1.00 0.00 H new ATOM 0 HA CYS A 54 4.455 1.626 2.209 1.00 0.00 H new ATOM 0 HB2 CYS A 54 2.097 1.508 2.811 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.012 3.249 2.995 1.00 0.00 H new ATOM 778 N ILE A 55 5.385 3.572 1.022 1.00 0.00 N ATOM 779 CA ILE A 55 5.999 4.746 0.338 1.00 0.00 C ATOM 780 C ILE A 55 6.324 4.394 -1.117 1.00 0.00 C ATOM 781 O ILE A 55 6.529 3.246 -1.448 1.00 0.00 O ATOM 782 CB ILE A 55 7.291 5.132 1.064 1.00 0.00 C ATOM 783 CG1 ILE A 55 8.203 3.901 1.160 1.00 0.00 C ATOM 784 CG2 ILE A 55 6.955 5.622 2.472 1.00 0.00 C ATOM 785 CD1 ILE A 55 9.517 4.299 1.834 1.00 0.00 C ATOM 0 H ILE A 55 5.660 2.660 0.657 1.00 0.00 H new ATOM 0 HA ILE A 55 5.297 5.580 0.357 1.00 0.00 H new ATOM 0 HB ILE A 55 7.798 5.924 0.513 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.712 3.113 1.731 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.398 3.500 0.166 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.874 5.897 2.990 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.300 6.491 2.408 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.451 4.828 3.023 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.168 3.428 1.905 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.009 5.073 1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.312 4.681 2.834 1.00 0.00 H new ATOM 797 N LYS A 56 6.357 5.391 -1.954 1.00 0.00 N ATOM 798 CA LYS A 56 6.678 5.130 -3.391 1.00 0.00 C ATOM 799 C LYS A 56 7.989 4.340 -3.509 1.00 0.00 C ATOM 800 O LYS A 56 8.877 4.482 -2.693 1.00 0.00 O ATOM 801 CB LYS A 56 6.828 6.464 -4.122 1.00 0.00 C ATOM 802 CG LYS A 56 5.519 7.243 -4.016 1.00 0.00 C ATOM 803 CD LYS A 56 5.768 8.698 -4.416 1.00 0.00 C ATOM 804 CE LYS A 56 4.428 9.435 -4.478 1.00 0.00 C ATOM 805 NZ LYS A 56 4.597 10.859 -4.075 1.00 0.00 N ATOM 0 H LYS A 56 6.178 6.366 -1.713 1.00 0.00 H new ATOM 0 HA LYS A 56 5.871 4.547 -3.835 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.645 7.041 -3.688 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.080 6.293 -5.169 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.764 6.799 -4.664 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.134 7.194 -2.998 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.429 9.179 -3.695 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.267 8.742 -5.384 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.024 9.382 -5.489 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.708 8.948 -3.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.679 11.345 -4.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.962 10.903 -3.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.268 11.325 -4.718 1.00 0.00 H new ATOM 819 N PHE A 57 8.080 3.526 -4.527 1.00 0.00 N ATOM 820 CA PHE A 57 9.328 2.725 -4.720 1.00 0.00 C ATOM 821 C PHE A 57 10.546 3.654 -4.804 1.00 0.00 C ATOM 822 O PHE A 57 11.618 3.319 -4.345 1.00 0.00 O ATOM 823 CB PHE A 57 9.209 1.926 -6.018 1.00 0.00 C ATOM 824 CG PHE A 57 9.728 0.501 -5.795 1.00 0.00 C ATOM 825 CD1 PHE A 57 11.028 0.285 -5.369 1.00 0.00 C ATOM 826 CD2 PHE A 57 8.905 -0.591 -6.017 1.00 0.00 C ATOM 827 CE1 PHE A 57 11.495 -0.998 -5.170 1.00 0.00 C ATOM 828 CE2 PHE A 57 9.376 -1.873 -5.817 1.00 0.00 C ATOM 829 CZ PHE A 57 10.668 -2.075 -5.394 1.00 0.00 C ATOM 0 H PHE A 57 7.353 3.380 -5.228 1.00 0.00 H new ATOM 0 HA PHE A 57 9.457 2.050 -3.874 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.170 1.898 -6.346 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.780 2.412 -6.809 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.681 1.127 -5.191 1.00 0.00 H new ATOM 0 HD2 PHE A 57 7.889 -0.438 -6.349 1.00 0.00 H new ATOM 0 HE1 PHE A 57 12.510 -1.157 -4.838 1.00 0.00 H new ATOM 0 HE2 PHE A 57 8.728 -2.719 -5.993 1.00 0.00 H new ATOM 0 HZ PHE A 57 11.034 -3.079 -5.237 1.00 0.00 H new ATOM 839 N GLU A 58 10.351 4.805 -5.389 1.00 0.00 N ATOM 840 CA GLU A 58 11.489 5.764 -5.516 1.00 0.00 C ATOM 841 C GLU A 58 11.936 6.257 -4.135 1.00 0.00 C ATOM 842 O GLU A 58 13.047 6.716 -3.967 1.00 0.00 O ATOM 843 CB GLU A 58 11.045 6.956 -6.362 1.00 0.00 C ATOM 844 CG GLU A 58 10.534 6.451 -7.711 1.00 0.00 C ATOM 845 CD GLU A 58 11.280 7.172 -8.837 1.00 0.00 C ATOM 846 OE1 GLU A 58 11.194 8.390 -8.847 1.00 0.00 O ATOM 847 OE2 GLU A 58 11.892 6.467 -9.620 1.00 0.00 O ATOM 0 H GLU A 58 9.464 5.122 -5.781 1.00 0.00 H new ATOM 0 HA GLU A 58 12.328 5.257 -5.992 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.261 7.511 -5.847 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.878 7.643 -6.509 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.685 5.374 -7.790 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.462 6.630 -7.797 1.00 0.00 H new ATOM 854 N ASP A 59 11.058 6.150 -3.173 1.00 0.00 N ATOM 855 CA ASP A 59 11.422 6.610 -1.800 1.00 0.00 C ATOM 856 C ASP A 59 12.369 5.604 -1.137 1.00 0.00 C ATOM 857 O ASP A 59 12.838 5.822 -0.037 1.00 0.00 O ATOM 858 CB ASP A 59 10.152 6.740 -0.961 1.00 0.00 C ATOM 859 CG ASP A 59 9.206 7.743 -1.625 1.00 0.00 C ATOM 860 OD1 ASP A 59 9.516 8.121 -2.744 1.00 0.00 O ATOM 861 OD2 ASP A 59 8.227 8.075 -0.977 1.00 0.00 O ATOM 0 H ASP A 59 10.117 5.770 -3.275 1.00 0.00 H new ATOM 0 HA ASP A 59 11.924 7.575 -1.868 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.664 5.770 -0.867 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.401 7.071 0.047 1.00 0.00 H new ATOM 866 N CYS A 60 12.630 4.524 -1.819 1.00 0.00 N ATOM 867 CA CYS A 60 13.542 3.495 -1.240 1.00 0.00 C ATOM 868 C CYS A 60 14.938 4.116 -0.991 1.00 0.00 C ATOM 869 O CYS A 60 15.308 5.073 -1.642 1.00 0.00 O ATOM 870 CB CYS A 60 13.667 2.340 -2.235 1.00 0.00 C ATOM 871 SG CYS A 60 12.449 1.014 -2.124 1.00 0.00 S ATOM 0 H CYS A 60 12.256 4.309 -2.743 1.00 0.00 H new ATOM 0 HA CYS A 60 13.141 3.133 -0.293 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.621 2.756 -3.241 1.00 0.00 H new ATOM 0 HB3 CYS A 60 14.657 1.899 -2.117 1.00 0.00 H new ATOM 876 N PRO A 61 15.694 3.560 -0.047 1.00 0.00 N ATOM 877 CA PRO A 61 17.037 4.074 0.251 1.00 0.00 C ATOM 878 C PRO A 61 17.887 4.142 -1.027 1.00 0.00 C ATOM 879 O PRO A 61 17.707 3.358 -1.937 1.00 0.00 O ATOM 880 CB PRO A 61 17.640 3.080 1.251 1.00 0.00 C ATOM 881 CG PRO A 61 16.546 2.013 1.563 1.00 0.00 C ATOM 882 CD PRO A 61 15.285 2.399 0.769 1.00 0.00 C ATOM 0 HA PRO A 61 17.003 5.085 0.657 1.00 0.00 H new ATOM 0 HB2 PRO A 61 18.529 2.608 0.834 1.00 0.00 H new ATOM 0 HB3 PRO A 61 17.949 3.592 2.163 1.00 0.00 H new ATOM 0 HG2 PRO A 61 16.889 1.018 1.279 1.00 0.00 H new ATOM 0 HG3 PRO A 61 16.332 1.984 2.631 1.00 0.00 H new ATOM 0 HD2 PRO A 61 14.945 1.575 0.142 1.00 0.00 H new ATOM 0 HD3 PRO A 61 14.461 2.654 1.435 1.00 0.00 H new ATOM 890 N LYS A 62 18.795 5.079 -1.064 1.00 0.00 N ATOM 891 CA LYS A 62 19.660 5.217 -2.273 1.00 0.00 C ATOM 892 C LYS A 62 18.806 5.147 -3.544 1.00 0.00 C ATOM 893 O LYS A 62 19.302 4.575 -4.499 1.00 0.00 O ATOM 894 CB LYS A 62 20.692 4.089 -2.286 1.00 0.00 C ATOM 895 CG LYS A 62 21.646 4.269 -1.104 1.00 0.00 C ATOM 896 CD LYS A 62 21.714 2.964 -0.303 1.00 0.00 C ATOM 897 CE LYS A 62 22.618 3.167 0.916 1.00 0.00 C ATOM 898 NZ LYS A 62 23.859 2.348 0.790 1.00 0.00 N ATOM 899 OXT LYS A 62 17.705 5.671 -3.485 1.00 0.00 O ATOM 0 H LYS A 62 18.975 5.750 -0.317 1.00 0.00 H new ATOM 0 HA LYS A 62 20.168 6.181 -2.242 1.00 0.00 H new ATOM 0 HB2 LYS A 62 20.193 3.122 -2.222 1.00 0.00 H new ATOM 0 HB3 LYS A 62 21.248 4.099 -3.223 1.00 0.00 H new ATOM 0 HG2 LYS A 62 22.639 4.541 -1.462 1.00 0.00 H new ATOM 0 HG3 LYS A 62 21.303 5.083 -0.466 1.00 0.00 H new ATOM 0 HD2 LYS A 62 20.715 2.667 0.016 1.00 0.00 H new ATOM 0 HD3 LYS A 62 22.102 2.160 -0.928 1.00 0.00 H new ATOM 0 HE2 LYS A 62 22.879 4.221 1.011 1.00 0.00 H new ATOM 0 HE3 LYS A 62 22.082 2.889 1.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 24.460 2.498 1.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 23.605 1.342 0.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 24.378 2.633 -0.065 1.00 0.00 H new TER 913 LYS A 62