USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 625 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 5 THR OG1 : rot -28:sc= 0.325 USER MOD Single : A 6 LYS NZ :NH3+ 167:sc= -1.03 (180deg=-1.29) USER MOD Single : A 7 TYR OH : rot 180:sc= -0.0381 USER MOD Single : A 9 TYR OH : rot 175:sc= 0.00274 USER MOD Single : A 10 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.548) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 34:sc= 0.353 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -3.65! C(o=-3.7!,f=-1.9!) USER MOD Single : A 34 SER OG : rot 180:sc= -0.303 USER MOD Single : A 37 LYS NZ :NH3+ -169:sc= -2.13! (180deg=-2.62!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0988 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.026) USER MOD Single : A 70 ASN : amide:sc= -0.113 K(o=-0.11,f=-1.9!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.372) USER MOD Single : A 88 ASN : amide:sc= -1.58 K(o=-1.6,f=-0.22) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 43 N VAL A 4 -12.451 -1.189 -18.377 1.00 0.00 N ATOM 44 CA VAL A 4 -11.216 -1.142 -17.547 1.00 0.00 C ATOM 45 C VAL A 4 -10.729 0.304 -17.440 1.00 0.00 C ATOM 46 O VAL A 4 -11.164 1.171 -18.172 1.00 0.00 O ATOM 47 CB VAL A 4 -10.130 -1.999 -18.201 1.00 0.00 C ATOM 48 CG1 VAL A 4 -9.227 -2.594 -17.119 1.00 0.00 C ATOM 49 CG2 VAL A 4 -10.784 -3.130 -18.997 1.00 0.00 C ATOM 0 HA VAL A 4 -11.432 -1.527 -16.551 1.00 0.00 H new ATOM 0 HB VAL A 4 -9.534 -1.379 -18.871 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -8.454 -3.204 -17.586 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.761 -1.789 -16.551 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.822 -3.213 -16.448 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -10.011 -3.741 -19.463 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.381 -3.749 -18.327 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -11.427 -2.707 -19.769 1.00 0.00 H new ATOM 59 N THR A 5 -9.830 0.573 -16.533 1.00 0.00 N ATOM 60 CA THR A 5 -9.317 1.963 -16.381 1.00 0.00 C ATOM 61 C THR A 5 -7.959 1.933 -15.677 1.00 0.00 C ATOM 62 O THR A 5 -7.679 1.055 -14.886 1.00 0.00 O ATOM 63 CB THR A 5 -10.305 2.782 -15.546 1.00 0.00 C ATOM 64 OG1 THR A 5 -11.617 2.608 -16.062 1.00 0.00 O ATOM 65 CG2 THR A 5 -9.923 4.262 -15.606 1.00 0.00 C ATOM 0 H THR A 5 -9.429 -0.110 -15.891 1.00 0.00 H new ATOM 0 HA THR A 5 -9.206 2.418 -17.365 1.00 0.00 H new ATOM 0 HB THR A 5 -10.274 2.443 -14.510 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.568 2.410 -17.021 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.627 4.844 -15.011 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.917 4.394 -15.209 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.953 4.604 -16.641 1.00 0.00 H new ATOM 73 N LYS A 6 -7.112 2.885 -15.961 1.00 0.00 N ATOM 74 CA LYS A 6 -5.774 2.910 -15.308 1.00 0.00 C ATOM 75 C LYS A 6 -5.692 4.109 -14.361 1.00 0.00 C ATOM 76 O LYS A 6 -5.891 5.240 -14.758 1.00 0.00 O ATOM 77 CB LYS A 6 -4.687 3.029 -16.379 1.00 0.00 C ATOM 78 CG LYS A 6 -4.717 1.790 -17.277 1.00 0.00 C ATOM 79 CD LYS A 6 -3.621 1.901 -18.338 1.00 0.00 C ATOM 80 CE LYS A 6 -4.245 2.295 -19.677 1.00 0.00 C ATOM 81 NZ LYS A 6 -5.182 3.437 -19.472 1.00 0.00 N ATOM 0 H LYS A 6 -7.290 3.646 -16.617 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.627 1.990 -14.742 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -4.846 3.927 -16.975 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.708 3.127 -15.909 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.569 0.891 -16.679 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.692 1.698 -17.755 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.882 2.644 -18.037 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.096 0.950 -18.435 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.465 2.573 -20.386 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.778 1.446 -20.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.436 3.847 -20.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.042 3.099 -18.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.722 4.162 -18.885 1.00 0.00 H new ATOM 95 N TYR A 7 -5.400 3.872 -13.112 1.00 0.00 N ATOM 96 CA TYR A 7 -5.306 4.998 -12.142 1.00 0.00 C ATOM 97 C TYR A 7 -3.851 5.459 -12.034 1.00 0.00 C ATOM 98 O TYR A 7 -2.965 4.686 -11.728 1.00 0.00 O ATOM 99 CB TYR A 7 -5.797 4.532 -10.768 1.00 0.00 C ATOM 100 CG TYR A 7 -7.126 5.179 -10.460 1.00 0.00 C ATOM 101 CD1 TYR A 7 -8.119 5.244 -11.445 1.00 0.00 C ATOM 102 CD2 TYR A 7 -7.367 5.712 -9.188 1.00 0.00 C ATOM 103 CE1 TYR A 7 -9.350 5.845 -11.159 1.00 0.00 C ATOM 104 CE2 TYR A 7 -8.599 6.311 -8.902 1.00 0.00 C ATOM 105 CZ TYR A 7 -9.591 6.378 -9.887 1.00 0.00 C ATOM 106 OH TYR A 7 -10.806 6.969 -9.604 1.00 0.00 O ATOM 0 H TYR A 7 -5.222 2.947 -12.721 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.925 5.826 -12.487 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -5.898 3.447 -10.755 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.067 4.794 -10.002 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.935 4.830 -12.425 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.602 5.661 -8.427 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -10.115 5.898 -11.920 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -8.784 6.722 -7.921 1.00 0.00 H new ATOM 0 HH TYR A 7 -10.808 7.285 -8.677 1.00 0.00 H new ATOM 116 N PHE A 8 -3.598 6.715 -12.282 1.00 0.00 N ATOM 117 CA PHE A 8 -2.201 7.225 -12.193 1.00 0.00 C ATOM 118 C PHE A 8 -1.936 7.741 -10.777 1.00 0.00 C ATOM 119 O PHE A 8 -2.785 8.351 -10.159 1.00 0.00 O ATOM 120 CB PHE A 8 -2.009 8.365 -13.196 1.00 0.00 C ATOM 121 CG PHE A 8 -1.769 7.790 -14.571 1.00 0.00 C ATOM 122 CD1 PHE A 8 -2.837 7.264 -15.307 1.00 0.00 C ATOM 123 CD2 PHE A 8 -0.477 7.782 -15.110 1.00 0.00 C ATOM 124 CE1 PHE A 8 -2.614 6.731 -16.581 1.00 0.00 C ATOM 125 CE2 PHE A 8 -0.254 7.249 -16.385 1.00 0.00 C ATOM 126 CZ PHE A 8 -1.322 6.723 -17.121 1.00 0.00 C ATOM 0 H PHE A 8 -4.298 7.410 -12.542 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.504 6.419 -12.422 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.890 9.006 -13.207 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.165 8.988 -12.898 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.834 7.270 -14.891 1.00 0.00 H new ATOM 0 HD2 PHE A 8 0.348 8.187 -14.542 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.439 6.325 -17.148 1.00 0.00 H new ATOM 0 HE2 PHE A 8 0.743 7.244 -16.801 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.150 6.311 -18.105 1.00 0.00 H new ATOM 136 N TYR A 9 -0.764 7.500 -10.258 1.00 0.00 N ATOM 137 CA TYR A 9 -0.445 7.977 -8.882 1.00 0.00 C ATOM 138 C TYR A 9 1.024 8.396 -8.815 1.00 0.00 C ATOM 139 O TYR A 9 1.914 7.571 -8.772 1.00 0.00 O ATOM 140 CB TYR A 9 -0.700 6.848 -7.881 1.00 0.00 C ATOM 141 CG TYR A 9 -0.243 7.282 -6.508 1.00 0.00 C ATOM 142 CD1 TYR A 9 -1.124 7.963 -5.659 1.00 0.00 C ATOM 143 CD2 TYR A 9 1.062 7.003 -6.085 1.00 0.00 C ATOM 144 CE1 TYR A 9 -0.700 8.365 -4.387 1.00 0.00 C ATOM 145 CE2 TYR A 9 1.486 7.405 -4.812 1.00 0.00 C ATOM 146 CZ TYR A 9 0.604 8.086 -3.964 1.00 0.00 C ATOM 147 OH TYR A 9 1.022 8.482 -2.709 1.00 0.00 O ATOM 0 H TYR A 9 -0.013 6.993 -10.727 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.077 8.831 -8.637 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.761 6.598 -7.861 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -0.166 5.948 -8.187 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.131 8.178 -5.986 1.00 0.00 H new ATOM 0 HD2 TYR A 9 1.742 6.478 -6.740 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -1.379 8.890 -3.732 1.00 0.00 H new ATOM 0 HE2 TYR A 9 2.492 7.190 -4.485 1.00 0.00 H new ATOM 0 HH TYR A 9 1.925 8.139 -2.541 1.00 0.00 H new ATOM 157 N LYS A 10 1.285 9.675 -8.805 1.00 0.00 N ATOM 158 CA LYS A 10 2.696 10.146 -8.741 1.00 0.00 C ATOM 159 C LYS A 10 3.177 10.118 -7.287 1.00 0.00 C ATOM 160 O LYS A 10 2.571 10.704 -6.412 1.00 0.00 O ATOM 161 CB LYS A 10 2.782 11.576 -9.279 1.00 0.00 C ATOM 162 CG LYS A 10 4.184 12.135 -9.027 1.00 0.00 C ATOM 163 CD LYS A 10 4.468 13.266 -10.016 1.00 0.00 C ATOM 164 CE LYS A 10 5.529 14.201 -9.431 1.00 0.00 C ATOM 165 NZ LYS A 10 6.637 13.393 -8.850 1.00 0.00 N ATOM 0 H LYS A 10 0.582 10.413 -8.838 1.00 0.00 H new ATOM 0 HA LYS A 10 3.325 9.492 -9.345 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.561 11.588 -10.346 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.036 12.204 -8.792 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.261 12.504 -8.004 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.927 11.345 -9.138 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.813 12.856 -10.965 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.553 13.821 -10.223 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.915 14.862 -10.207 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.086 14.836 -8.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.484 13.988 -8.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.352 13.033 -7.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.850 12.593 -9.479 1.00 0.00 H new ATOM 179 N GLY A 11 4.259 9.439 -7.024 1.00 0.00 N ATOM 180 CA GLY A 11 4.776 9.374 -5.627 1.00 0.00 C ATOM 181 C GLY A 11 5.766 10.515 -5.393 1.00 0.00 C ATOM 182 O GLY A 11 5.695 11.551 -6.024 1.00 0.00 O ATOM 0 H GLY A 11 4.807 8.927 -7.715 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.950 9.445 -4.919 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.263 8.415 -5.453 1.00 0.00 H new ATOM 186 N GLU A 12 6.691 10.335 -4.489 1.00 0.00 N ATOM 187 CA GLU A 12 7.684 11.411 -4.215 1.00 0.00 C ATOM 188 C GLU A 12 8.348 11.841 -5.525 1.00 0.00 C ATOM 189 O GLU A 12 8.114 12.925 -6.023 1.00 0.00 O ATOM 190 CB GLU A 12 8.751 10.886 -3.252 1.00 0.00 C ATOM 191 CG GLU A 12 8.300 11.125 -1.809 1.00 0.00 C ATOM 192 CD GLU A 12 9.450 10.802 -0.854 1.00 0.00 C ATOM 193 OE1 GLU A 12 9.955 9.693 -0.920 1.00 0.00 O ATOM 194 OE2 GLU A 12 9.806 11.669 -0.072 1.00 0.00 O ATOM 0 H GLU A 12 6.801 9.490 -3.929 1.00 0.00 H new ATOM 0 HA GLU A 12 7.178 12.266 -3.767 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.916 9.822 -3.421 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.700 11.389 -3.435 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.988 12.162 -1.681 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.436 10.501 -1.579 1.00 0.00 H new ATOM 201 N ASN A 13 9.172 11.001 -6.087 1.00 0.00 N ATOM 202 CA ASN A 13 9.848 11.362 -7.365 1.00 0.00 C ATOM 203 C ASN A 13 9.578 10.280 -8.410 1.00 0.00 C ATOM 204 O ASN A 13 9.689 10.509 -9.599 1.00 0.00 O ATOM 205 CB ASN A 13 11.356 11.479 -7.128 1.00 0.00 C ATOM 206 CG ASN A 13 11.692 12.899 -6.670 1.00 0.00 C ATOM 207 OD1 ASN A 13 11.899 13.138 -5.497 1.00 0.00 O ATOM 208 ND2 ASN A 13 11.758 13.858 -7.553 1.00 0.00 N ATOM 0 H ASN A 13 9.407 10.080 -5.717 1.00 0.00 H new ATOM 0 HA ASN A 13 9.461 12.316 -7.724 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.673 10.758 -6.375 1.00 0.00 H new ATOM 0 HB3 ASN A 13 11.898 11.243 -8.044 1.00 0.00 H new ATOM 0 HD21 ASN A 13 11.983 14.808 -7.258 1.00 0.00 H new ATOM 0 HD22 ASN A 13 11.584 13.657 -8.538 1.00 0.00 H new ATOM 215 N THR A 14 9.224 9.100 -7.980 1.00 0.00 N ATOM 216 CA THR A 14 8.948 8.003 -8.950 1.00 0.00 C ATOM 217 C THR A 14 7.457 7.987 -9.290 1.00 0.00 C ATOM 218 O THR A 14 6.641 8.533 -8.574 1.00 0.00 O ATOM 219 CB THR A 14 9.345 6.661 -8.331 1.00 0.00 C ATOM 220 OG1 THR A 14 10.607 6.792 -7.690 1.00 0.00 O ATOM 221 CG2 THR A 14 9.435 5.598 -9.427 1.00 0.00 C ATOM 0 H THR A 14 9.114 8.848 -6.998 1.00 0.00 H new ATOM 0 HA THR A 14 9.527 8.168 -9.859 1.00 0.00 H new ATOM 0 HB THR A 14 8.595 6.362 -7.599 1.00 0.00 H new ATOM 0 HG1 THR A 14 10.862 5.934 -7.291 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.718 4.643 -8.985 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.467 5.498 -9.918 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.185 5.894 -10.161 1.00 0.00 H new ATOM 229 N ASP A 15 7.093 7.363 -10.377 1.00 0.00 N ATOM 230 CA ASP A 15 5.655 7.310 -10.761 1.00 0.00 C ATOM 231 C ASP A 15 5.209 5.851 -10.869 1.00 0.00 C ATOM 232 O ASP A 15 5.962 4.989 -11.278 1.00 0.00 O ATOM 233 CB ASP A 15 5.462 8.003 -12.112 1.00 0.00 C ATOM 234 CG ASP A 15 3.985 8.347 -12.305 1.00 0.00 C ATOM 235 OD1 ASP A 15 3.489 9.183 -11.567 1.00 0.00 O ATOM 236 OD2 ASP A 15 3.373 7.767 -13.187 1.00 0.00 O ATOM 0 H ASP A 15 7.730 6.887 -11.016 1.00 0.00 H new ATOM 0 HA ASP A 15 5.058 7.817 -10.003 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.066 8.909 -12.157 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.803 7.353 -12.918 1.00 0.00 H new ATOM 241 N LEU A 16 3.989 5.565 -10.505 1.00 0.00 N ATOM 242 CA LEU A 16 3.496 4.161 -10.586 1.00 0.00 C ATOM 243 C LEU A 16 2.069 4.152 -11.137 1.00 0.00 C ATOM 244 O LEU A 16 1.305 5.071 -10.924 1.00 0.00 O ATOM 245 CB LEU A 16 3.507 3.535 -9.190 1.00 0.00 C ATOM 246 CG LEU A 16 4.933 3.536 -8.641 1.00 0.00 C ATOM 247 CD1 LEU A 16 4.906 3.219 -7.144 1.00 0.00 C ATOM 248 CD2 LEU A 16 5.761 2.475 -9.370 1.00 0.00 C ATOM 0 H LEU A 16 3.312 6.243 -10.155 1.00 0.00 H new ATOM 0 HA LEU A 16 4.145 3.586 -11.247 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.849 4.094 -8.524 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.124 2.515 -9.234 1.00 0.00 H new ATOM 0 HG LEU A 16 5.380 4.518 -8.796 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.924 3.220 -6.753 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.317 3.973 -6.623 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.458 2.237 -6.988 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.778 2.475 -8.979 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.313 1.494 -9.215 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.782 2.699 -10.436 1.00 0.00 H new ATOM 260 N ILE A 17 1.704 3.119 -11.846 1.00 0.00 N ATOM 261 CA ILE A 17 0.326 3.052 -12.411 1.00 0.00 C ATOM 262 C ILE A 17 -0.384 1.808 -11.873 1.00 0.00 C ATOM 263 O ILE A 17 0.241 0.830 -11.516 1.00 0.00 O ATOM 264 CB ILE A 17 0.402 2.976 -13.936 1.00 0.00 C ATOM 265 CG1 ILE A 17 1.196 4.172 -14.467 1.00 0.00 C ATOM 266 CG2 ILE A 17 -1.011 3.006 -14.520 1.00 0.00 C ATOM 267 CD1 ILE A 17 1.798 3.824 -15.829 1.00 0.00 C ATOM 0 H ILE A 17 2.300 2.319 -12.058 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.230 3.943 -12.120 1.00 0.00 H new ATOM 0 HB ILE A 17 0.897 2.050 -14.228 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.546 5.042 -14.557 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.987 4.437 -13.765 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.957 2.952 -15.607 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.579 2.156 -14.142 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.506 3.932 -14.227 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.363 4.677 -16.206 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.462 2.966 -15.725 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.998 3.581 -16.529 1.00 0.00 H new ATOM 279 N VAL A 18 -1.688 1.838 -11.811 1.00 0.00 N ATOM 280 CA VAL A 18 -2.436 0.657 -11.296 1.00 0.00 C ATOM 281 C VAL A 18 -3.654 0.399 -12.185 1.00 0.00 C ATOM 282 O VAL A 18 -3.962 1.168 -13.073 1.00 0.00 O ATOM 283 CB VAL A 18 -2.898 0.931 -9.865 1.00 0.00 C ATOM 284 CG1 VAL A 18 -1.936 0.263 -8.880 1.00 0.00 C ATOM 285 CG2 VAL A 18 -2.914 2.441 -9.615 1.00 0.00 C ATOM 0 H VAL A 18 -2.266 2.629 -12.095 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.786 -0.218 -11.306 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.901 0.527 -9.724 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.266 0.459 -7.860 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.923 -0.812 -9.057 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.933 0.666 -9.021 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.243 2.637 -8.595 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.911 2.844 -9.756 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.599 2.919 -10.316 1.00 0.00 H new ATOM 295 N PHE A 19 -4.353 -0.679 -11.952 1.00 0.00 N ATOM 296 CA PHE A 19 -5.551 -0.985 -12.783 1.00 0.00 C ATOM 297 C PHE A 19 -6.814 -0.805 -11.939 1.00 0.00 C ATOM 298 O PHE A 19 -6.787 -0.926 -10.731 1.00 0.00 O ATOM 299 CB PHE A 19 -5.469 -2.430 -13.281 1.00 0.00 C ATOM 300 CG PHE A 19 -4.594 -2.491 -14.509 1.00 0.00 C ATOM 301 CD1 PHE A 19 -3.202 -2.413 -14.381 1.00 0.00 C ATOM 302 CD2 PHE A 19 -5.173 -2.626 -15.776 1.00 0.00 C ATOM 303 CE1 PHE A 19 -2.390 -2.470 -15.519 1.00 0.00 C ATOM 304 CE2 PHE A 19 -4.361 -2.683 -16.915 1.00 0.00 C ATOM 305 CZ PHE A 19 -2.969 -2.605 -16.786 1.00 0.00 C ATOM 0 H PHE A 19 -4.146 -1.361 -11.222 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.586 -0.309 -13.637 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.063 -3.072 -12.500 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -6.467 -2.803 -13.513 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.755 -2.309 -13.403 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.247 -2.686 -15.875 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.316 -2.410 -15.420 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.808 -2.787 -17.893 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.342 -2.649 -17.664 1.00 0.00 H new ATOM 315 N ALA A 20 -7.921 -0.518 -12.566 1.00 0.00 N ATOM 316 CA ALA A 20 -9.185 -0.331 -11.799 1.00 0.00 C ATOM 317 C ALA A 20 -10.381 -0.647 -12.700 1.00 0.00 C ATOM 318 O ALA A 20 -10.501 -0.131 -13.793 1.00 0.00 O ATOM 319 CB ALA A 20 -9.279 1.118 -11.317 1.00 0.00 C ATOM 0 H ALA A 20 -8.005 -0.405 -13.576 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.191 -1.002 -10.940 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -10.203 1.256 -10.756 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.428 1.344 -10.675 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.273 1.788 -12.176 1.00 0.00 H new ATOM 325 N ALA A 21 -11.267 -1.494 -12.249 1.00 0.00 N ATOM 326 CA ALA A 21 -12.453 -1.843 -13.081 1.00 0.00 C ATOM 327 C ALA A 21 -13.085 -0.563 -13.632 1.00 0.00 C ATOM 328 O ALA A 21 -12.674 -0.046 -14.652 1.00 0.00 O ATOM 329 CB ALA A 21 -13.476 -2.587 -12.220 1.00 0.00 C ATOM 0 H ALA A 21 -11.220 -1.958 -11.342 1.00 0.00 H new ATOM 0 HA ALA A 21 -12.142 -2.479 -13.909 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -14.345 -2.843 -12.827 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -13.026 -3.499 -11.827 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.787 -1.950 -11.392 1.00 0.00 H new ATOM 335 N SER A 22 -14.081 -0.047 -12.965 1.00 0.00 N ATOM 336 CA SER A 22 -14.738 1.199 -13.451 1.00 0.00 C ATOM 337 C SER A 22 -14.555 2.310 -12.415 1.00 0.00 C ATOM 338 O SER A 22 -14.181 2.063 -11.286 1.00 0.00 O ATOM 339 CB SER A 22 -16.231 0.937 -13.665 1.00 0.00 C ATOM 340 OG SER A 22 -16.536 1.064 -15.047 1.00 0.00 O ATOM 0 H SER A 22 -14.468 -0.435 -12.105 1.00 0.00 H new ATOM 0 HA SER A 22 -14.285 1.506 -14.394 1.00 0.00 H new ATOM 0 HB2 SER A 22 -16.491 -0.062 -13.314 1.00 0.00 H new ATOM 0 HB3 SER A 22 -16.823 1.644 -13.084 1.00 0.00 H new ATOM 0 HG SER A 22 -17.491 0.895 -15.188 1.00 0.00 H new ATOM 346 N GLU A 23 -14.817 3.532 -12.791 1.00 0.00 N ATOM 347 CA GLU A 23 -14.658 4.658 -11.828 1.00 0.00 C ATOM 348 C GLU A 23 -15.803 4.629 -10.815 1.00 0.00 C ATOM 349 O GLU A 23 -15.662 5.069 -9.692 1.00 0.00 O ATOM 350 CB GLU A 23 -14.682 5.986 -12.588 1.00 0.00 C ATOM 351 CG GLU A 23 -13.668 6.949 -11.967 1.00 0.00 C ATOM 352 CD GLU A 23 -14.147 8.389 -12.157 1.00 0.00 C ATOM 353 OE1 GLU A 23 -14.211 8.825 -13.294 1.00 0.00 O ATOM 354 OE2 GLU A 23 -14.442 9.031 -11.162 1.00 0.00 O ATOM 0 H GLU A 23 -15.134 3.799 -13.723 1.00 0.00 H new ATOM 0 HA GLU A 23 -13.708 4.556 -11.304 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.445 5.820 -13.639 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -15.681 6.420 -12.551 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -13.548 6.732 -10.906 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.692 6.815 -12.433 1.00 0.00 H new ATOM 361 N GLU A 24 -16.939 4.114 -11.202 1.00 0.00 N ATOM 362 CA GLU A 24 -18.092 4.058 -10.260 1.00 0.00 C ATOM 363 C GLU A 24 -17.720 3.200 -9.050 1.00 0.00 C ATOM 364 O GLU A 24 -17.784 3.642 -7.920 1.00 0.00 O ATOM 365 CB GLU A 24 -19.301 3.445 -10.969 1.00 0.00 C ATOM 366 CG GLU A 24 -20.577 4.150 -10.504 1.00 0.00 C ATOM 367 CD GLU A 24 -20.887 5.316 -11.443 1.00 0.00 C ATOM 368 OE1 GLU A 24 -20.763 5.134 -12.644 1.00 0.00 O ATOM 369 OE2 GLU A 24 -21.243 6.373 -10.947 1.00 0.00 O ATOM 0 H GLU A 24 -17.118 3.730 -12.130 1.00 0.00 H new ATOM 0 HA GLU A 24 -18.339 5.066 -9.928 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -19.191 3.544 -12.049 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -19.362 2.379 -10.751 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -21.410 3.447 -10.493 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -20.453 4.514 -9.484 1.00 0.00 H new ATOM 376 N LEU A 25 -17.331 1.975 -9.277 1.00 0.00 N ATOM 377 CA LEU A 25 -16.955 1.090 -8.137 1.00 0.00 C ATOM 378 C LEU A 25 -15.837 1.750 -7.329 1.00 0.00 C ATOM 379 O LEU A 25 -15.925 1.883 -6.124 1.00 0.00 O ATOM 380 CB LEU A 25 -16.471 -0.257 -8.676 1.00 0.00 C ATOM 381 CG LEU A 25 -17.655 -1.220 -8.779 1.00 0.00 C ATOM 382 CD1 LEU A 25 -17.330 -2.323 -9.789 1.00 0.00 C ATOM 383 CD2 LEU A 25 -17.920 -1.849 -7.409 1.00 0.00 C ATOM 0 H LEU A 25 -17.257 1.549 -10.201 1.00 0.00 H new ATOM 0 HA LEU A 25 -17.822 0.933 -7.496 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -16.010 -0.125 -9.655 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -15.708 -0.671 -8.017 1.00 0.00 H new ATOM 0 HG LEU A 25 -18.539 -0.674 -9.108 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -18.174 -3.009 -9.862 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -17.139 -1.878 -10.765 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -16.446 -2.869 -9.460 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -18.764 -2.536 -7.481 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -17.035 -2.395 -7.082 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -18.150 -1.065 -6.687 1.00 0.00 H new ATOM 395 N VAL A 26 -14.785 2.165 -7.981 1.00 0.00 N ATOM 396 CA VAL A 26 -13.664 2.816 -7.247 1.00 0.00 C ATOM 397 C VAL A 26 -14.229 3.856 -6.278 1.00 0.00 C ATOM 398 O VAL A 26 -13.839 3.925 -5.129 1.00 0.00 O ATOM 399 CB VAL A 26 -12.731 3.503 -8.245 1.00 0.00 C ATOM 400 CG1 VAL A 26 -11.770 4.427 -7.494 1.00 0.00 C ATOM 401 CG2 VAL A 26 -11.930 2.443 -9.004 1.00 0.00 C ATOM 0 H VAL A 26 -14.654 2.081 -8.989 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.107 2.063 -6.690 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.321 4.089 -8.950 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.105 4.916 -8.206 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.340 5.181 -6.952 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.179 3.842 -6.789 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.264 2.931 -9.716 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.341 1.858 -8.298 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.614 1.784 -9.539 1.00 0.00 H new ATOM 411 N ASP A 27 -15.148 4.666 -6.730 1.00 0.00 N ATOM 412 CA ASP A 27 -15.738 5.698 -5.833 1.00 0.00 C ATOM 413 C ASP A 27 -16.460 5.009 -4.674 1.00 0.00 C ATOM 414 O ASP A 27 -16.345 5.408 -3.532 1.00 0.00 O ATOM 415 CB ASP A 27 -16.735 6.550 -6.622 1.00 0.00 C ATOM 416 CG ASP A 27 -17.546 7.415 -5.654 1.00 0.00 C ATOM 417 OD1 ASP A 27 -18.240 6.850 -4.825 1.00 0.00 O ATOM 418 OD2 ASP A 27 -17.459 8.627 -5.759 1.00 0.00 O ATOM 0 H ASP A 27 -15.515 4.657 -7.682 1.00 0.00 H new ATOM 0 HA ASP A 27 -14.946 6.337 -5.441 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -16.205 7.182 -7.335 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -17.401 5.908 -7.199 1.00 0.00 H new ATOM 423 N GLU A 28 -17.205 3.975 -4.959 1.00 0.00 N ATOM 424 CA GLU A 28 -17.933 3.259 -3.872 1.00 0.00 C ATOM 425 C GLU A 28 -16.923 2.702 -2.868 1.00 0.00 C ATOM 426 O GLU A 28 -17.219 2.535 -1.702 1.00 0.00 O ATOM 427 CB GLU A 28 -18.743 2.109 -4.474 1.00 0.00 C ATOM 428 CG GLU A 28 -20.101 2.632 -4.946 1.00 0.00 C ATOM 429 CD GLU A 28 -20.597 1.783 -6.116 1.00 0.00 C ATOM 430 OE1 GLU A 28 -20.158 2.026 -7.228 1.00 0.00 O ATOM 431 OE2 GLU A 28 -21.409 0.902 -5.882 1.00 0.00 O ATOM 0 H GLU A 28 -17.341 3.596 -5.896 1.00 0.00 H new ATOM 0 HA GLU A 28 -18.606 3.950 -3.365 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -18.201 1.667 -5.310 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -18.882 1.322 -3.733 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -20.820 2.597 -4.128 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -20.015 3.675 -5.251 1.00 0.00 H new ATOM 438 N TYR A 29 -15.731 2.413 -3.312 1.00 0.00 N ATOM 439 CA TYR A 29 -14.700 1.867 -2.384 1.00 0.00 C ATOM 440 C TYR A 29 -14.253 2.964 -1.417 1.00 0.00 C ATOM 441 O TYR A 29 -13.990 2.714 -0.258 1.00 0.00 O ATOM 442 CB TYR A 29 -13.496 1.376 -3.192 1.00 0.00 C ATOM 443 CG TYR A 29 -12.455 0.813 -2.255 1.00 0.00 C ATOM 444 CD1 TYR A 29 -11.593 1.675 -1.567 1.00 0.00 C ATOM 445 CD2 TYR A 29 -12.351 -0.571 -2.075 1.00 0.00 C ATOM 446 CE1 TYR A 29 -10.627 1.152 -0.699 1.00 0.00 C ATOM 447 CE2 TYR A 29 -11.385 -1.094 -1.207 1.00 0.00 C ATOM 448 CZ TYR A 29 -10.522 -0.231 -0.519 1.00 0.00 C ATOM 449 OH TYR A 29 -9.570 -0.747 0.337 1.00 0.00 O ATOM 0 H TYR A 29 -15.426 2.531 -4.278 1.00 0.00 H new ATOM 0 HA TYR A 29 -15.122 1.036 -1.820 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -13.810 0.613 -3.904 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -13.073 2.198 -3.770 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -11.673 2.743 -1.706 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -13.016 -1.236 -2.606 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.962 1.817 -0.168 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -11.305 -2.162 -1.068 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.441 -0.134 1.091 1.00 0.00 H new ATOM 459 N LEU A 30 -14.167 4.180 -1.884 1.00 0.00 N ATOM 460 CA LEU A 30 -13.739 5.293 -0.990 1.00 0.00 C ATOM 461 C LEU A 30 -14.757 5.461 0.139 1.00 0.00 C ATOM 462 O LEU A 30 -14.406 5.537 1.299 1.00 0.00 O ATOM 463 CB LEU A 30 -13.652 6.591 -1.797 1.00 0.00 C ATOM 464 CG LEU A 30 -12.487 6.503 -2.783 1.00 0.00 C ATOM 465 CD1 LEU A 30 -12.531 7.698 -3.735 1.00 0.00 C ATOM 466 CD2 LEU A 30 -11.165 6.517 -2.010 1.00 0.00 C ATOM 0 H LEU A 30 -14.375 4.450 -2.845 1.00 0.00 H new ATOM 0 HA LEU A 30 -12.762 5.063 -0.566 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -14.585 6.760 -2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.512 7.439 -1.127 1.00 0.00 H new ATOM 0 HG LEU A 30 -12.566 5.579 -3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.700 7.634 -4.438 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.472 7.691 -4.285 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -12.452 8.622 -3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.333 6.454 -2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -11.088 7.441 -1.437 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -11.132 5.665 -1.330 1.00 0.00 H new ATOM 478 N LYS A 31 -16.019 5.518 -0.192 1.00 0.00 N ATOM 479 CA LYS A 31 -17.058 5.681 0.863 1.00 0.00 C ATOM 480 C LYS A 31 -17.283 4.341 1.567 1.00 0.00 C ATOM 481 O LYS A 31 -17.706 4.290 2.706 1.00 0.00 O ATOM 482 CB LYS A 31 -18.369 6.146 0.222 1.00 0.00 C ATOM 483 CG LYS A 31 -18.058 7.026 -0.990 1.00 0.00 C ATOM 484 CD LYS A 31 -19.265 7.917 -1.295 1.00 0.00 C ATOM 485 CE LYS A 31 -20.358 7.087 -1.969 1.00 0.00 C ATOM 486 NZ LYS A 31 -21.655 7.311 -1.269 1.00 0.00 N ATOM 0 H LYS A 31 -16.374 5.459 -1.146 1.00 0.00 H new ATOM 0 HA LYS A 31 -16.725 6.423 1.589 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -18.963 5.285 -0.083 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -18.963 6.703 0.946 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.180 7.640 -0.791 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -17.823 6.404 -1.854 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -19.646 8.359 -0.374 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -18.967 8.740 -1.944 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -20.446 7.366 -3.019 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -20.096 6.029 -1.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -22.399 6.747 -1.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -21.566 7.024 -0.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -21.906 8.319 -1.317 1.00 0.00 H new ATOM 500 N ASN A 32 -17.002 3.256 0.900 1.00 0.00 N ATOM 501 CA ASN A 32 -17.198 1.920 1.530 1.00 0.00 C ATOM 502 C ASN A 32 -15.992 1.031 1.224 1.00 0.00 C ATOM 503 O ASN A 32 -16.092 0.064 0.495 1.00 0.00 O ATOM 504 CB ASN A 32 -18.466 1.273 0.969 1.00 0.00 C ATOM 505 CG ASN A 32 -18.484 -0.213 1.331 1.00 0.00 C ATOM 506 OD1 ASN A 32 -19.136 -1.002 0.676 1.00 0.00 O ATOM 507 ND2 ASN A 32 -17.789 -0.633 2.353 1.00 0.00 N ATOM 0 H ASN A 32 -16.645 3.237 -0.055 1.00 0.00 H new ATOM 0 HA ASN A 32 -17.298 2.037 2.609 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -19.349 1.767 1.374 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -18.501 1.395 -0.114 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -17.794 -1.622 2.601 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -17.241 0.028 2.904 1.00 0.00 H new ATOM 514 N PRO A 33 -14.859 1.363 1.779 1.00 0.00 N ATOM 515 CA PRO A 33 -13.600 0.592 1.571 1.00 0.00 C ATOM 516 C PRO A 33 -13.611 -0.749 2.313 1.00 0.00 C ATOM 517 O PRO A 33 -14.291 -0.913 3.307 1.00 0.00 O ATOM 518 CB PRO A 33 -12.513 1.507 2.139 1.00 0.00 C ATOM 519 CG PRO A 33 -13.205 2.377 3.135 1.00 0.00 C ATOM 520 CD PRO A 33 -14.656 2.515 2.671 1.00 0.00 C ATOM 0 HA PRO A 33 -13.451 0.339 0.521 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -11.718 0.928 2.609 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -12.050 2.103 1.352 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -13.158 1.937 4.131 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.724 3.353 3.195 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -15.348 2.494 3.513 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -14.819 3.457 2.148 1.00 0.00 H new ATOM 528 N SER A 34 -12.864 -1.706 1.837 1.00 0.00 N ATOM 529 CA SER A 34 -12.832 -3.033 2.513 1.00 0.00 C ATOM 530 C SER A 34 -11.897 -3.973 1.749 1.00 0.00 C ATOM 531 O SER A 34 -11.404 -3.645 0.688 1.00 0.00 O ATOM 532 CB SER A 34 -14.240 -3.627 2.539 1.00 0.00 C ATOM 533 OG SER A 34 -14.207 -4.940 1.998 1.00 0.00 O ATOM 0 H SER A 34 -12.274 -1.626 1.009 1.00 0.00 H new ATOM 0 HA SER A 34 -12.470 -2.911 3.534 1.00 0.00 H new ATOM 0 HB2 SER A 34 -14.617 -3.652 3.561 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.922 -3.001 1.963 1.00 0.00 H new ATOM 0 HG SER A 34 -15.109 -5.324 2.015 1.00 0.00 H new ATOM 539 N ILE A 35 -11.648 -5.139 2.280 1.00 0.00 N ATOM 540 CA ILE A 35 -10.745 -6.097 1.583 1.00 0.00 C ATOM 541 C ILE A 35 -11.562 -6.955 0.614 1.00 0.00 C ATOM 542 O ILE A 35 -11.082 -7.365 -0.424 1.00 0.00 O ATOM 543 CB ILE A 35 -10.065 -7.000 2.613 1.00 0.00 C ATOM 544 CG1 ILE A 35 -9.021 -7.874 1.913 1.00 0.00 C ATOM 545 CG2 ILE A 35 -11.112 -7.893 3.280 1.00 0.00 C ATOM 546 CD1 ILE A 35 -7.732 -7.074 1.716 1.00 0.00 C ATOM 0 H ILE A 35 -12.031 -5.469 3.166 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.987 -5.543 1.029 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.578 -6.385 3.370 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.821 -8.765 2.507 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.402 -8.212 0.949 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.627 -8.536 4.014 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -11.856 -7.272 3.778 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.600 -8.508 2.524 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.990 -7.697 1.218 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.939 -6.196 1.104 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.348 -6.758 2.686 1.00 0.00 H new ATOM 558 N GLY A 36 -12.795 -7.228 0.944 1.00 0.00 N ATOM 559 CA GLY A 36 -13.641 -8.058 0.042 1.00 0.00 C ATOM 560 C GLY A 36 -14.056 -7.230 -1.176 1.00 0.00 C ATOM 561 O GLY A 36 -14.525 -7.755 -2.166 1.00 0.00 O ATOM 0 H GLY A 36 -13.252 -6.912 1.799 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.091 -8.943 -0.277 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.525 -8.408 0.575 1.00 0.00 H new ATOM 565 N LYS A 37 -13.886 -5.937 -1.110 1.00 0.00 N ATOM 566 CA LYS A 37 -14.271 -5.076 -2.265 1.00 0.00 C ATOM 567 C LYS A 37 -13.016 -4.684 -3.047 1.00 0.00 C ATOM 568 O LYS A 37 -13.094 -4.174 -4.148 1.00 0.00 O ATOM 569 CB LYS A 37 -14.966 -3.815 -1.750 1.00 0.00 C ATOM 570 CG LYS A 37 -15.644 -3.093 -2.916 1.00 0.00 C ATOM 571 CD LYS A 37 -16.795 -2.234 -2.386 1.00 0.00 C ATOM 572 CE LYS A 37 -17.463 -1.500 -3.550 1.00 0.00 C ATOM 573 NZ LYS A 37 -18.696 -0.819 -3.065 1.00 0.00 N ATOM 0 H LYS A 37 -13.498 -5.441 -0.308 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.950 -5.624 -2.918 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -15.704 -4.078 -0.992 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.240 -3.156 -1.273 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.921 -2.468 -3.440 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -16.020 -3.818 -3.637 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -17.523 -2.861 -1.872 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.421 -1.516 -1.656 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -16.775 -0.770 -3.976 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -17.712 -2.205 -4.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -19.248 -0.479 -3.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -19.269 -1.489 -2.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -18.433 -0.012 -2.464 1.00 0.00 H new ATOM 587 N LEU A 38 -11.860 -4.917 -2.489 1.00 0.00 N ATOM 588 CA LEU A 38 -10.602 -4.557 -3.202 1.00 0.00 C ATOM 589 C LEU A 38 -10.400 -5.502 -4.390 1.00 0.00 C ATOM 590 O LEU A 38 -10.136 -5.076 -5.496 1.00 0.00 O ATOM 591 CB LEU A 38 -9.417 -4.684 -2.243 1.00 0.00 C ATOM 592 CG LEU A 38 -8.200 -3.973 -2.837 1.00 0.00 C ATOM 593 CD1 LEU A 38 -8.137 -2.539 -2.310 1.00 0.00 C ATOM 594 CD2 LEU A 38 -6.928 -4.721 -2.434 1.00 0.00 C ATOM 0 H LEU A 38 -11.732 -5.341 -1.570 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.670 -3.530 -3.561 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.670 -4.248 -1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.188 -5.735 -2.069 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.284 -3.956 -3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.269 -2.033 -2.734 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -9.044 -2.006 -2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.053 -2.554 -1.223 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.059 -4.216 -2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.845 -4.738 -1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.972 -5.743 -2.811 1.00 0.00 H new ATOM 606 N SER A 39 -10.523 -6.782 -4.168 1.00 0.00 N ATOM 607 CA SER A 39 -10.339 -7.752 -5.284 1.00 0.00 C ATOM 608 C SER A 39 -11.173 -7.308 -6.488 1.00 0.00 C ATOM 609 O SER A 39 -10.707 -7.305 -7.610 1.00 0.00 O ATOM 610 CB SER A 39 -10.794 -9.140 -4.833 1.00 0.00 C ATOM 611 OG SER A 39 -9.716 -9.800 -4.184 1.00 0.00 O ATOM 0 H SER A 39 -10.743 -7.198 -3.263 1.00 0.00 H new ATOM 0 HA SER A 39 -9.286 -7.788 -5.564 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.644 -9.054 -4.156 1.00 0.00 H new ATOM 0 HB3 SER A 39 -11.128 -9.723 -5.692 1.00 0.00 H new ATOM 0 HG SER A 39 -10.005 -10.690 -3.892 1.00 0.00 H new ATOM 617 N GLU A 40 -12.402 -6.930 -6.262 1.00 0.00 N ATOM 618 CA GLU A 40 -13.263 -6.485 -7.394 1.00 0.00 C ATOM 619 C GLU A 40 -12.643 -5.252 -8.053 1.00 0.00 C ATOM 620 O GLU A 40 -12.368 -5.239 -9.236 1.00 0.00 O ATOM 621 CB GLU A 40 -14.657 -6.136 -6.867 1.00 0.00 C ATOM 622 CG GLU A 40 -15.342 -7.404 -6.353 1.00 0.00 C ATOM 623 CD GLU A 40 -16.039 -8.113 -7.516 1.00 0.00 C ATOM 624 OE1 GLU A 40 -15.948 -7.618 -8.627 1.00 0.00 O ATOM 625 OE2 GLU A 40 -16.653 -9.140 -7.275 1.00 0.00 O ATOM 0 H GLU A 40 -12.846 -6.910 -5.344 1.00 0.00 H new ATOM 0 HA GLU A 40 -13.342 -7.287 -8.128 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -14.581 -5.401 -6.066 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -15.254 -5.683 -7.659 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -14.608 -8.067 -5.896 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -16.067 -7.151 -5.580 1.00 0.00 H new ATOM 632 N VAL A 41 -12.420 -4.213 -7.294 1.00 0.00 N ATOM 633 CA VAL A 41 -11.817 -2.981 -7.877 1.00 0.00 C ATOM 634 C VAL A 41 -10.564 -3.353 -8.673 1.00 0.00 C ATOM 635 O VAL A 41 -10.470 -3.097 -9.857 1.00 0.00 O ATOM 636 CB VAL A 41 -11.438 -2.017 -6.751 1.00 0.00 C ATOM 637 CG1 VAL A 41 -10.865 -0.731 -7.351 1.00 0.00 C ATOM 638 CG2 VAL A 41 -12.684 -1.685 -5.923 1.00 0.00 C ATOM 0 H VAL A 41 -12.629 -4.164 -6.297 1.00 0.00 H new ATOM 0 HA VAL A 41 -12.539 -2.502 -8.539 1.00 0.00 H new ATOM 0 HB VAL A 41 -10.689 -2.483 -6.110 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.595 -0.044 -6.549 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.979 -0.968 -7.940 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -11.613 -0.264 -7.992 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -12.415 -0.998 -5.120 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -13.433 -1.219 -6.563 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -13.091 -2.601 -5.495 1.00 0.00 H new ATOM 648 N VAL A 42 -9.601 -3.955 -8.031 1.00 0.00 N ATOM 649 CA VAL A 42 -8.355 -4.342 -8.750 1.00 0.00 C ATOM 650 C VAL A 42 -8.607 -5.615 -9.562 1.00 0.00 C ATOM 651 O VAL A 42 -9.070 -6.612 -9.043 1.00 0.00 O ATOM 652 CB VAL A 42 -7.239 -4.599 -7.736 1.00 0.00 C ATOM 653 CG1 VAL A 42 -5.882 -4.521 -8.437 1.00 0.00 C ATOM 654 CG2 VAL A 42 -7.302 -3.540 -6.633 1.00 0.00 C ATOM 0 H VAL A 42 -9.623 -4.195 -7.040 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.059 -3.535 -9.421 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.366 -5.590 -7.300 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.088 -4.704 -7.713 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.836 -5.273 -9.225 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.754 -3.530 -8.873 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.508 -3.721 -5.909 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.175 -2.550 -7.071 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.269 -3.594 -6.132 1.00 0.00 H new ATOM 664 N GLU A 43 -8.308 -5.589 -10.832 1.00 0.00 N ATOM 665 CA GLU A 43 -8.531 -6.799 -11.674 1.00 0.00 C ATOM 666 C GLU A 43 -7.219 -7.576 -11.806 1.00 0.00 C ATOM 667 O GLU A 43 -7.161 -8.610 -12.443 1.00 0.00 O ATOM 668 CB GLU A 43 -9.014 -6.372 -13.062 1.00 0.00 C ATOM 669 CG GLU A 43 -10.135 -7.304 -13.522 1.00 0.00 C ATOM 670 CD GLU A 43 -11.467 -6.830 -12.937 1.00 0.00 C ATOM 671 OE1 GLU A 43 -11.464 -5.819 -12.254 1.00 0.00 O ATOM 672 OE2 GLU A 43 -12.466 -7.486 -13.181 1.00 0.00 O ATOM 0 H GLU A 43 -7.919 -4.784 -11.323 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.284 -7.434 -11.207 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.371 -5.343 -13.033 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.187 -6.403 -13.772 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.188 -7.316 -14.611 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.928 -8.325 -13.201 1.00 0.00 H new ATOM 679 N LEU A 44 -6.168 -7.088 -11.209 1.00 0.00 N ATOM 680 CA LEU A 44 -4.861 -7.798 -11.301 1.00 0.00 C ATOM 681 C LEU A 44 -3.919 -7.271 -10.218 1.00 0.00 C ATOM 682 O LEU A 44 -3.629 -6.093 -10.153 1.00 0.00 O ATOM 683 CB LEU A 44 -4.242 -7.554 -12.678 1.00 0.00 C ATOM 684 CG LEU A 44 -2.950 -8.362 -12.808 1.00 0.00 C ATOM 685 CD1 LEU A 44 -3.285 -9.801 -13.207 1.00 0.00 C ATOM 686 CD2 LEU A 44 -2.061 -7.731 -13.882 1.00 0.00 C ATOM 0 H LEU A 44 -6.157 -6.228 -10.661 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.018 -8.867 -11.159 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.944 -7.843 -13.460 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.034 -6.492 -12.812 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.425 -8.362 -11.853 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.364 -10.377 -13.300 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.920 -10.252 -12.444 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.810 -9.801 -14.162 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.140 -8.306 -13.976 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.588 -7.731 -14.836 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.822 -6.706 -13.600 1.00 0.00 H new ATOM 698 N PHE A 45 -3.437 -8.135 -9.366 1.00 0.00 N ATOM 699 CA PHE A 45 -2.514 -7.682 -8.288 1.00 0.00 C ATOM 700 C PHE A 45 -1.120 -7.448 -8.874 1.00 0.00 C ATOM 701 O PHE A 45 -0.259 -8.303 -8.815 1.00 0.00 O ATOM 702 CB PHE A 45 -2.436 -8.754 -7.200 1.00 0.00 C ATOM 703 CG PHE A 45 -3.829 -9.101 -6.734 1.00 0.00 C ATOM 704 CD1 PHE A 45 -4.651 -8.109 -6.187 1.00 0.00 C ATOM 705 CD2 PHE A 45 -4.299 -10.415 -6.851 1.00 0.00 C ATOM 706 CE1 PHE A 45 -5.944 -8.431 -5.756 1.00 0.00 C ATOM 707 CE2 PHE A 45 -5.592 -10.736 -6.419 1.00 0.00 C ATOM 708 CZ PHE A 45 -6.414 -9.744 -5.872 1.00 0.00 C ATOM 0 H PHE A 45 -3.643 -9.134 -9.370 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.887 -6.753 -7.857 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.938 -9.643 -7.586 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.840 -8.394 -6.362 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.288 -7.096 -6.097 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.665 -11.180 -7.274 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.579 -7.666 -5.334 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.955 -11.749 -6.508 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.411 -9.992 -5.539 1.00 0.00 H new ATOM 718 N GLU A 46 -0.892 -6.295 -9.442 1.00 0.00 N ATOM 719 CA GLU A 46 0.445 -6.006 -10.033 1.00 0.00 C ATOM 720 C GLU A 46 0.595 -4.499 -10.246 1.00 0.00 C ATOM 721 O GLU A 46 -0.377 -3.783 -10.384 1.00 0.00 O ATOM 722 CB GLU A 46 0.576 -6.727 -11.376 1.00 0.00 C ATOM 723 CG GLU A 46 2.056 -6.866 -11.740 1.00 0.00 C ATOM 724 CD GLU A 46 2.626 -8.128 -11.092 1.00 0.00 C ATOM 725 OE1 GLU A 46 1.845 -9.005 -10.763 1.00 0.00 O ATOM 726 OE2 GLU A 46 3.834 -8.196 -10.935 1.00 0.00 O ATOM 0 H GLU A 46 -1.574 -5.541 -9.522 1.00 0.00 H new ATOM 0 HA GLU A 46 1.224 -6.356 -9.356 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.111 -7.711 -11.319 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.051 -6.170 -12.152 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.172 -6.917 -12.823 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.608 -5.990 -11.401 1.00 0.00 H new ATOM 733 N VAL A 47 1.805 -4.011 -10.273 1.00 0.00 N ATOM 734 CA VAL A 47 2.014 -2.550 -10.477 1.00 0.00 C ATOM 735 C VAL A 47 2.912 -2.330 -11.696 1.00 0.00 C ATOM 736 O VAL A 47 3.938 -2.964 -11.846 1.00 0.00 O ATOM 737 CB VAL A 47 2.682 -1.953 -9.237 1.00 0.00 C ATOM 738 CG1 VAL A 47 2.904 -0.454 -9.448 1.00 0.00 C ATOM 739 CG2 VAL A 47 1.777 -2.165 -8.021 1.00 0.00 C ATOM 0 H VAL A 47 2.657 -4.561 -10.163 1.00 0.00 H new ATOM 0 HA VAL A 47 1.052 -2.064 -10.641 1.00 0.00 H new ATOM 0 HB VAL A 47 3.641 -2.443 -9.070 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.380 -0.029 -8.564 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.546 -0.300 -10.316 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.945 0.036 -9.615 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.251 -1.740 -7.136 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.819 -1.674 -8.190 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.616 -3.232 -7.869 1.00 0.00 H new ATOM 749 N PHE A 48 2.535 -1.435 -12.568 1.00 0.00 N ATOM 750 CA PHE A 48 3.368 -1.177 -13.777 1.00 0.00 C ATOM 751 C PHE A 48 3.839 0.280 -13.770 1.00 0.00 C ATOM 752 O PHE A 48 3.215 1.141 -13.183 1.00 0.00 O ATOM 753 CB PHE A 48 2.537 -1.438 -15.035 1.00 0.00 C ATOM 754 CG PHE A 48 2.039 -2.863 -15.021 1.00 0.00 C ATOM 755 CD1 PHE A 48 0.839 -3.179 -14.372 1.00 0.00 C ATOM 756 CD2 PHE A 48 2.776 -3.868 -15.659 1.00 0.00 C ATOM 757 CE1 PHE A 48 0.377 -4.501 -14.361 1.00 0.00 C ATOM 758 CE2 PHE A 48 2.313 -5.189 -15.647 1.00 0.00 C ATOM 759 CZ PHE A 48 1.114 -5.506 -14.998 1.00 0.00 C ATOM 0 H PHE A 48 1.688 -0.872 -12.496 1.00 0.00 H new ATOM 0 HA PHE A 48 4.234 -1.839 -13.770 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.695 -0.747 -15.077 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.140 -1.261 -15.926 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.270 -2.404 -13.880 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.701 -3.624 -16.160 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.548 -4.745 -13.861 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.881 -5.964 -16.139 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.758 -6.526 -14.989 1.00 0.00 H new ATOM 769 N THR A 49 4.936 0.561 -14.418 1.00 0.00 N ATOM 770 CA THR A 49 5.445 1.961 -14.449 1.00 0.00 C ATOM 771 C THR A 49 6.116 2.230 -15.797 1.00 0.00 C ATOM 772 O THR A 49 6.426 1.319 -16.539 1.00 0.00 O ATOM 773 CB THR A 49 6.464 2.157 -13.323 1.00 0.00 C ATOM 774 OG1 THR A 49 7.650 2.730 -13.856 1.00 0.00 O ATOM 775 CG2 THR A 49 6.789 0.806 -12.686 1.00 0.00 C ATOM 0 H THR A 49 5.502 -0.118 -14.927 1.00 0.00 H new ATOM 0 HA THR A 49 4.614 2.654 -14.313 1.00 0.00 H new ATOM 0 HB THR A 49 6.047 2.821 -12.566 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.303 2.858 -13.137 1.00 0.00 H new ATOM 0 HG21 THR A 49 7.514 0.947 -11.885 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.878 0.368 -12.278 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.206 0.139 -13.440 1.00 0.00 H new ATOM 783 N PRO A 50 6.336 3.478 -16.107 1.00 0.00 N ATOM 784 CA PRO A 50 6.980 3.892 -17.386 1.00 0.00 C ATOM 785 C PRO A 50 8.481 3.584 -17.406 1.00 0.00 C ATOM 786 O PRO A 50 9.085 3.323 -16.384 1.00 0.00 O ATOM 787 CB PRO A 50 6.744 5.402 -17.442 1.00 0.00 C ATOM 788 CG PRO A 50 6.571 5.831 -16.023 1.00 0.00 C ATOM 789 CD PRO A 50 5.992 4.634 -15.266 1.00 0.00 C ATOM 0 HA PRO A 50 6.565 3.355 -18.239 1.00 0.00 H new ATOM 0 HB2 PRO A 50 7.587 5.914 -17.907 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.860 5.640 -18.034 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.525 6.136 -15.592 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.903 6.690 -15.958 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.425 4.545 -14.270 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.914 4.727 -15.138 1.00 0.00 H new ATOM 911 N LEU A 60 5.741 -0.965 -21.265 1.00 0.00 N ATOM 912 CA LEU A 60 5.792 -0.411 -19.883 1.00 0.00 C ATOM 913 C LEU A 60 6.950 -1.054 -19.118 1.00 0.00 C ATOM 914 O LEU A 60 7.772 -1.747 -19.685 1.00 0.00 O ATOM 915 CB LEU A 60 4.474 -0.711 -19.164 1.00 0.00 C ATOM 916 CG LEU A 60 3.429 0.332 -19.557 1.00 0.00 C ATOM 917 CD1 LEU A 60 2.060 -0.339 -19.684 1.00 0.00 C ATOM 918 CD2 LEU A 60 3.364 1.419 -18.482 1.00 0.00 C ATOM 0 HA LEU A 60 5.943 0.668 -19.929 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.123 -1.709 -19.427 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.626 -0.700 -18.085 1.00 0.00 H new ATOM 0 HG LEU A 60 3.705 0.779 -20.512 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.315 0.405 -19.964 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.104 -1.114 -20.449 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.784 -0.787 -18.729 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.619 2.163 -18.762 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.088 0.971 -17.527 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.339 1.898 -18.390 1.00 0.00 H new ATOM 930 N GLY A 61 7.022 -0.832 -17.835 1.00 0.00 N ATOM 931 CA GLY A 61 8.129 -1.431 -17.036 1.00 0.00 C ATOM 932 C GLY A 61 7.571 -1.994 -15.728 1.00 0.00 C ATOM 933 O GLY A 61 6.506 -1.616 -15.282 1.00 0.00 O ATOM 0 H GLY A 61 6.363 -0.262 -17.305 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.616 -2.222 -17.606 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.888 -0.677 -16.825 1.00 0.00 H new ATOM 937 N ALA A 62 8.282 -2.896 -15.107 1.00 0.00 N ATOM 938 CA ALA A 62 7.792 -3.482 -13.829 1.00 0.00 C ATOM 939 C ALA A 62 8.492 -2.796 -12.653 1.00 0.00 C ATOM 940 O ALA A 62 9.570 -2.253 -12.792 1.00 0.00 O ATOM 941 CB ALA A 62 8.099 -4.981 -13.805 1.00 0.00 C ATOM 0 H ALA A 62 9.181 -3.252 -15.431 1.00 0.00 H new ATOM 0 HA ALA A 62 6.715 -3.332 -13.748 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.741 -5.411 -12.870 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.600 -5.468 -14.643 1.00 0.00 H new ATOM 0 HB3 ALA A 62 9.175 -5.133 -13.885 1.00 0.00 H new ATOM 947 N ALA A 63 7.889 -2.816 -11.497 1.00 0.00 N ATOM 948 CA ALA A 63 8.521 -2.165 -10.315 1.00 0.00 C ATOM 949 C ALA A 63 9.077 -3.239 -9.378 1.00 0.00 C ATOM 950 O ALA A 63 8.846 -4.417 -9.561 1.00 0.00 O ATOM 951 CB ALA A 63 7.475 -1.333 -9.571 1.00 0.00 C ATOM 0 H ALA A 63 6.986 -3.255 -11.319 1.00 0.00 H new ATOM 0 HA ALA A 63 9.332 -1.517 -10.648 1.00 0.00 H new ATOM 0 HB1 ALA A 63 7.937 -0.857 -8.706 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.077 -0.568 -10.238 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.664 -1.981 -9.238 1.00 0.00 H new ATOM 957 N SER A 64 9.812 -2.842 -8.375 1.00 0.00 N ATOM 958 CA SER A 64 10.382 -3.841 -7.428 1.00 0.00 C ATOM 959 C SER A 64 9.903 -3.531 -6.009 1.00 0.00 C ATOM 960 O SER A 64 9.645 -2.394 -5.665 1.00 0.00 O ATOM 961 CB SER A 64 11.909 -3.775 -7.476 1.00 0.00 C ATOM 962 OG SER A 64 12.333 -2.460 -7.140 1.00 0.00 O ATOM 0 H SER A 64 10.042 -1.869 -8.171 1.00 0.00 H new ATOM 0 HA SER A 64 10.052 -4.840 -7.712 1.00 0.00 H new ATOM 0 HB2 SER A 64 12.338 -4.497 -6.781 1.00 0.00 H new ATOM 0 HB3 SER A 64 12.265 -4.041 -8.471 1.00 0.00 H new ATOM 0 HG SER A 64 13.312 -2.415 -7.168 1.00 0.00 H new ATOM 968 N LYS A 65 9.781 -4.532 -5.181 1.00 0.00 N ATOM 969 CA LYS A 65 9.318 -4.294 -3.785 1.00 0.00 C ATOM 970 C LYS A 65 9.996 -3.039 -3.229 1.00 0.00 C ATOM 971 O LYS A 65 9.445 -2.336 -2.407 1.00 0.00 O ATOM 972 CB LYS A 65 9.683 -5.498 -2.915 1.00 0.00 C ATOM 973 CG LYS A 65 10.952 -6.157 -3.458 1.00 0.00 C ATOM 974 CD LYS A 65 11.531 -7.100 -2.403 1.00 0.00 C ATOM 975 CE LYS A 65 12.960 -7.485 -2.791 1.00 0.00 C ATOM 976 NZ LYS A 65 13.405 -8.643 -1.965 1.00 0.00 N ATOM 0 H LYS A 65 9.982 -5.505 -5.411 1.00 0.00 H new ATOM 0 HA LYS A 65 8.237 -4.155 -3.780 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.838 -5.181 -1.884 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.863 -6.216 -2.907 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.725 -6.710 -4.370 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.686 -5.395 -3.721 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.526 -6.617 -1.426 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.912 -7.994 -2.320 1.00 0.00 H new ATOM 0 HE2 LYS A 65 13.004 -7.742 -3.849 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.630 -6.638 -2.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 14.376 -8.905 -2.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.378 -8.382 -0.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.772 -9.451 -2.130 1.00 0.00 H new ATOM 990 N ALA A 66 11.191 -2.754 -3.672 1.00 0.00 N ATOM 991 CA ALA A 66 11.902 -1.547 -3.169 1.00 0.00 C ATOM 992 C ALA A 66 11.273 -0.292 -3.776 1.00 0.00 C ATOM 993 O ALA A 66 10.802 0.581 -3.073 1.00 0.00 O ATOM 994 CB ALA A 66 13.378 -1.620 -3.567 1.00 0.00 C ATOM 0 H ALA A 66 11.704 -3.305 -4.360 1.00 0.00 H new ATOM 0 HA ALA A 66 11.820 -1.505 -2.083 1.00 0.00 H new ATOM 0 HB1 ALA A 66 13.898 -0.736 -3.199 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.828 -2.513 -3.133 1.00 0.00 H new ATOM 0 HB3 ALA A 66 13.460 -1.663 -4.653 1.00 0.00 H new ATOM 1000 N GLN A 67 11.258 -0.194 -5.077 1.00 0.00 N ATOM 1001 CA GLN A 67 10.658 1.004 -5.728 1.00 0.00 C ATOM 1002 C GLN A 67 9.411 1.436 -4.953 1.00 0.00 C ATOM 1003 O GLN A 67 9.244 2.593 -4.622 1.00 0.00 O ATOM 1004 CB GLN A 67 10.271 0.662 -7.168 1.00 0.00 C ATOM 1005 CG GLN A 67 10.198 1.946 -7.997 1.00 0.00 C ATOM 1006 CD GLN A 67 11.371 1.987 -8.979 1.00 0.00 C ATOM 1007 OE1 GLN A 67 12.131 2.934 -8.996 1.00 0.00 O ATOM 1008 NE2 GLN A 67 11.551 0.992 -9.803 1.00 0.00 N ATOM 0 H GLN A 67 11.636 -0.892 -5.717 1.00 0.00 H new ATOM 0 HA GLN A 67 11.384 1.817 -5.730 1.00 0.00 H new ATOM 0 HB2 GLN A 67 11.003 -0.021 -7.600 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.309 0.150 -7.185 1.00 0.00 H new ATOM 0 HG2 GLN A 67 9.254 1.988 -8.540 1.00 0.00 H new ATOM 0 HG3 GLN A 67 10.228 2.817 -7.342 1.00 0.00 H new ATOM 0 HE21 GLN A 67 10.913 0.196 -9.789 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.330 1.010 -10.461 1.00 0.00 H new ATOM 1017 N VAL A 68 8.534 0.514 -4.663 1.00 0.00 N ATOM 1018 CA VAL A 68 7.298 0.873 -3.911 1.00 0.00 C ATOM 1019 C VAL A 68 7.665 1.241 -2.472 1.00 0.00 C ATOM 1020 O VAL A 68 7.289 2.282 -1.973 1.00 0.00 O ATOM 1021 CB VAL A 68 6.343 -0.321 -3.902 1.00 0.00 C ATOM 1022 CG1 VAL A 68 5.039 0.072 -3.204 1.00 0.00 C ATOM 1023 CG2 VAL A 68 6.041 -0.742 -5.343 1.00 0.00 C ATOM 0 H VAL A 68 8.620 -0.471 -4.914 1.00 0.00 H new ATOM 0 HA VAL A 68 6.814 1.723 -4.392 1.00 0.00 H new ATOM 0 HB VAL A 68 6.805 -1.151 -3.368 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.359 -0.780 -3.198 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.252 0.374 -2.178 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.576 0.902 -3.738 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.360 -1.593 -5.338 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.579 0.089 -5.876 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.969 -1.022 -5.842 1.00 0.00 H new ATOM 1033 N GLU A 69 8.397 0.395 -1.801 1.00 0.00 N ATOM 1034 CA GLU A 69 8.787 0.698 -0.394 1.00 0.00 C ATOM 1035 C GLU A 69 9.358 2.115 -0.319 1.00 0.00 C ATOM 1036 O GLU A 69 9.265 2.779 0.695 1.00 0.00 O ATOM 1037 CB GLU A 69 9.846 -0.304 0.070 1.00 0.00 C ATOM 1038 CG GLU A 69 10.115 -0.107 1.563 1.00 0.00 C ATOM 1039 CD GLU A 69 11.505 -0.647 1.907 1.00 0.00 C ATOM 1040 OE1 GLU A 69 12.120 -1.239 1.036 1.00 0.00 O ATOM 1041 OE2 GLU A 69 11.928 -0.460 3.036 1.00 0.00 O ATOM 0 H GLU A 69 8.742 -0.493 -2.166 1.00 0.00 H new ATOM 0 HA GLU A 69 7.911 0.624 0.250 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.506 -1.322 -0.118 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.766 -0.166 -0.498 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.051 0.951 1.818 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.357 -0.624 2.151 1.00 0.00 H new ATOM 1048 N ASN A 70 9.950 2.585 -1.383 1.00 0.00 N ATOM 1049 CA ASN A 70 10.526 3.959 -1.370 1.00 0.00 C ATOM 1050 C ASN A 70 9.393 4.986 -1.334 1.00 0.00 C ATOM 1051 O ASN A 70 9.590 6.130 -0.977 1.00 0.00 O ATOM 1052 CB ASN A 70 11.367 4.172 -2.629 1.00 0.00 C ATOM 1053 CG ASN A 70 12.345 5.325 -2.402 1.00 0.00 C ATOM 1054 OD1 ASN A 70 12.796 5.546 -1.296 1.00 0.00 O ATOM 1055 ND2 ASN A 70 12.694 6.077 -3.411 1.00 0.00 N ATOM 0 H ASN A 70 10.060 2.077 -2.261 1.00 0.00 H new ATOM 0 HA ASN A 70 11.155 4.081 -0.488 1.00 0.00 H new ATOM 0 HB2 ASN A 70 11.913 3.261 -2.872 1.00 0.00 H new ATOM 0 HB3 ASN A 70 10.720 4.392 -3.478 1.00 0.00 H new ATOM 0 HD21 ASN A 70 13.345 6.849 -3.270 1.00 0.00 H new ATOM 0 HD22 ASN A 70 12.316 5.892 -4.340 1.00 0.00 H new ATOM 1062 N GLU A 71 8.206 4.586 -1.702 1.00 0.00 N ATOM 1063 CA GLU A 71 7.061 5.540 -1.689 1.00 0.00 C ATOM 1064 C GLU A 71 6.242 5.334 -0.413 1.00 0.00 C ATOM 1065 O GLU A 71 5.593 6.240 0.072 1.00 0.00 O ATOM 1066 CB GLU A 71 6.175 5.288 -2.911 1.00 0.00 C ATOM 1067 CG GLU A 71 5.900 6.613 -3.625 1.00 0.00 C ATOM 1068 CD GLU A 71 5.123 7.544 -2.693 1.00 0.00 C ATOM 1069 OE1 GLU A 71 4.057 7.150 -2.249 1.00 0.00 O ATOM 1070 OE2 GLU A 71 5.606 8.635 -2.439 1.00 0.00 O ATOM 0 H GLU A 71 7.980 3.640 -2.011 1.00 0.00 H new ATOM 0 HA GLU A 71 7.438 6.562 -1.718 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.665 4.591 -3.591 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.236 4.827 -2.604 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.839 7.080 -3.922 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.330 6.435 -4.537 1.00 0.00 H new ATOM 1077 N PHE A 72 6.266 4.150 0.135 1.00 0.00 N ATOM 1078 CA PHE A 72 5.489 3.888 1.379 1.00 0.00 C ATOM 1079 C PHE A 72 6.453 3.621 2.536 1.00 0.00 C ATOM 1080 O PHE A 72 6.062 3.579 3.686 1.00 0.00 O ATOM 1081 CB PHE A 72 4.591 2.666 1.172 1.00 0.00 C ATOM 1082 CG PHE A 72 3.496 3.006 0.190 1.00 0.00 C ATOM 1083 CD1 PHE A 72 2.375 3.730 0.614 1.00 0.00 C ATOM 1084 CD2 PHE A 72 3.601 2.596 -1.145 1.00 0.00 C ATOM 1085 CE1 PHE A 72 1.360 4.044 -0.297 1.00 0.00 C ATOM 1086 CE2 PHE A 72 2.585 2.911 -2.055 1.00 0.00 C ATOM 1087 CZ PHE A 72 1.464 3.635 -1.631 1.00 0.00 C ATOM 0 H PHE A 72 6.790 3.353 -0.225 1.00 0.00 H new ATOM 0 HA PHE A 72 4.873 4.757 1.612 1.00 0.00 H new ATOM 0 HB2 PHE A 72 5.180 1.828 0.800 1.00 0.00 H new ATOM 0 HB3 PHE A 72 4.158 2.355 2.123 1.00 0.00 H new ATOM 0 HD1 PHE A 72 2.294 4.046 1.644 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.465 2.037 -1.472 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.496 4.603 0.030 1.00 0.00 H new ATOM 0 HE2 PHE A 72 2.666 2.595 -3.085 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.680 3.878 -2.333 1.00 0.00 H new ATOM 1097 N GLY A 73 7.711 3.442 2.243 1.00 0.00 N ATOM 1098 CA GLY A 73 8.700 3.178 3.327 1.00 0.00 C ATOM 1099 C GLY A 73 8.341 1.876 4.037 1.00 0.00 C ATOM 1100 O GLY A 73 9.003 1.455 4.965 1.00 0.00 O ATOM 0 H GLY A 73 8.098 3.467 1.300 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.705 3.112 2.909 1.00 0.00 H new ATOM 0 HA3 GLY A 73 8.705 4.004 4.039 1.00 0.00 H new ATOM 1104 N LYS A 74 7.295 1.238 3.605 1.00 0.00 N ATOM 1105 CA LYS A 74 6.879 -0.042 4.245 1.00 0.00 C ATOM 1106 C LYS A 74 6.441 -1.034 3.167 1.00 0.00 C ATOM 1107 O LYS A 74 6.867 -2.171 3.146 1.00 0.00 O ATOM 1108 CB LYS A 74 5.713 0.223 5.200 1.00 0.00 C ATOM 1109 CG LYS A 74 6.176 1.145 6.330 1.00 0.00 C ATOM 1110 CD LYS A 74 4.963 1.612 7.140 1.00 0.00 C ATOM 1111 CE LYS A 74 5.044 1.043 8.557 1.00 0.00 C ATOM 1112 NZ LYS A 74 6.051 1.810 9.344 1.00 0.00 N ATOM 0 H LYS A 74 6.705 1.547 2.832 1.00 0.00 H new ATOM 0 HA LYS A 74 7.718 -0.460 4.802 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.884 0.680 4.660 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.345 -0.717 5.611 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.878 0.620 6.977 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.704 2.005 5.918 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.934 2.701 7.175 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.042 1.284 6.657 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.069 1.101 9.040 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.320 -0.011 8.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.106 1.423 10.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.982 1.733 8.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.769 2.810 9.388 1.00 0.00 H new ATOM 1126 N GLY A 75 5.591 -0.613 2.271 1.00 0.00 N ATOM 1127 CA GLY A 75 5.126 -1.534 1.195 1.00 0.00 C ATOM 1128 C GLY A 75 4.056 -2.472 1.753 1.00 0.00 C ATOM 1129 O GLY A 75 2.924 -2.475 1.309 1.00 0.00 O ATOM 0 H GLY A 75 5.199 0.328 2.237 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.723 -0.961 0.360 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.966 -2.112 0.809 1.00 0.00 H new ATOM 1133 N LYS A 76 4.403 -3.271 2.725 1.00 0.00 N ATOM 1134 CA LYS A 76 3.404 -4.209 3.311 1.00 0.00 C ATOM 1135 C LYS A 76 2.700 -4.973 2.188 1.00 0.00 C ATOM 1136 O LYS A 76 3.115 -4.941 1.047 1.00 0.00 O ATOM 1137 CB LYS A 76 2.370 -3.417 4.115 1.00 0.00 C ATOM 1138 CG LYS A 76 3.089 -2.475 5.084 1.00 0.00 C ATOM 1139 CD LYS A 76 2.056 -1.642 5.847 1.00 0.00 C ATOM 1140 CE LYS A 76 1.534 -0.523 4.943 1.00 0.00 C ATOM 1141 NZ LYS A 76 0.822 0.492 5.769 1.00 0.00 N ATOM 0 H LYS A 76 5.334 -3.315 3.138 1.00 0.00 H new ATOM 0 HA LYS A 76 3.912 -4.915 3.968 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.731 -2.845 3.442 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.723 -4.099 4.667 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.697 -3.050 5.783 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.767 -1.820 4.536 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.231 -2.276 6.173 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.506 -1.218 6.745 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.362 -0.057 4.409 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.860 -0.933 4.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.467 1.253 5.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.023 0.042 6.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.478 0.891 6.470 1.00 0.00 H new ATOM 1155 N LYS A 77 1.637 -5.661 2.503 1.00 0.00 N ATOM 1156 CA LYS A 77 0.907 -6.427 1.452 1.00 0.00 C ATOM 1157 C LYS A 77 0.491 -5.479 0.325 1.00 0.00 C ATOM 1158 O LYS A 77 -0.035 -4.410 0.563 1.00 0.00 O ATOM 1159 CB LYS A 77 -0.340 -7.069 2.065 1.00 0.00 C ATOM 1160 CG LYS A 77 0.058 -8.337 2.823 1.00 0.00 C ATOM 1161 CD LYS A 77 -0.547 -8.304 4.228 1.00 0.00 C ATOM 1162 CE LYS A 77 -0.410 -9.683 4.876 1.00 0.00 C ATOM 1163 NZ LYS A 77 1.027 -10.076 4.909 1.00 0.00 N ATOM 0 H LYS A 77 1.242 -5.726 3.441 1.00 0.00 H new ATOM 0 HA LYS A 77 1.557 -7.204 1.050 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.828 -6.367 2.741 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.059 -7.311 1.283 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.291 -9.219 2.286 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.144 -8.411 2.885 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.041 -7.553 4.835 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.597 -8.018 4.176 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.816 -9.663 5.887 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.987 -10.419 4.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.151 -10.886 5.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.337 -10.341 3.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.598 -9.276 5.249 1.00 0.00 H new ATOM 1177 N ILE A 78 0.722 -5.863 -0.901 1.00 0.00 N ATOM 1178 CA ILE A 78 0.340 -4.985 -2.041 1.00 0.00 C ATOM 1179 C ILE A 78 -1.148 -4.642 -1.945 1.00 0.00 C ATOM 1180 O ILE A 78 -1.592 -3.619 -2.428 1.00 0.00 O ATOM 1181 CB ILE A 78 0.611 -5.713 -3.359 1.00 0.00 C ATOM 1182 CG1 ILE A 78 0.500 -4.723 -4.521 1.00 0.00 C ATOM 1183 CG2 ILE A 78 -0.415 -6.832 -3.545 1.00 0.00 C ATOM 1184 CD1 ILE A 78 1.894 -4.220 -4.899 1.00 0.00 C ATOM 0 H ILE A 78 1.159 -6.747 -1.161 1.00 0.00 H new ATOM 0 HA ILE A 78 0.927 -4.068 -2.005 1.00 0.00 H new ATOM 0 HB ILE A 78 1.614 -6.139 -3.338 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.031 -5.204 -5.379 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -0.136 -3.884 -4.238 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.222 -7.350 -4.484 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -0.337 -7.538 -2.718 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.418 -6.406 -3.566 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.814 -3.515 -5.727 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.346 -3.723 -4.041 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.516 -5.063 -5.199 1.00 0.00 H new ATOM 1196 N GLU A 79 -1.922 -5.489 -1.325 1.00 0.00 N ATOM 1197 CA GLU A 79 -3.381 -5.212 -1.199 1.00 0.00 C ATOM 1198 C GLU A 79 -3.586 -3.857 -0.519 1.00 0.00 C ATOM 1199 O GLU A 79 -4.429 -3.076 -0.910 1.00 0.00 O ATOM 1200 CB GLU A 79 -4.039 -6.309 -0.359 1.00 0.00 C ATOM 1201 CG GLU A 79 -4.034 -7.624 -1.141 1.00 0.00 C ATOM 1202 CD GLU A 79 -4.144 -8.798 -0.167 1.00 0.00 C ATOM 1203 OE1 GLU A 79 -3.806 -8.614 0.991 1.00 0.00 O ATOM 1204 OE2 GLU A 79 -4.562 -9.861 -0.596 1.00 0.00 O ATOM 0 H GLU A 79 -1.608 -6.361 -0.900 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.834 -5.193 -2.190 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.503 -6.431 0.582 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.062 -6.026 -0.109 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.865 -7.643 -1.846 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.118 -7.708 -1.726 1.00 0.00 H new ATOM 1211 N GLU A 80 -2.819 -3.571 0.498 1.00 0.00 N ATOM 1212 CA GLU A 80 -2.971 -2.267 1.202 1.00 0.00 C ATOM 1213 C GLU A 80 -2.403 -1.146 0.328 1.00 0.00 C ATOM 1214 O GLU A 80 -3.095 -0.213 -0.028 1.00 0.00 O ATOM 1215 CB GLU A 80 -2.212 -2.313 2.529 1.00 0.00 C ATOM 1216 CG GLU A 80 -2.522 -3.626 3.250 1.00 0.00 C ATOM 1217 CD GLU A 80 -1.967 -3.570 4.675 1.00 0.00 C ATOM 1218 OE1 GLU A 80 -1.076 -2.771 4.911 1.00 0.00 O ATOM 1219 OE2 GLU A 80 -2.442 -4.328 5.505 1.00 0.00 O ATOM 0 H GLU A 80 -2.094 -4.184 0.871 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.027 -2.078 1.394 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.140 -2.229 2.350 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.498 -1.467 3.153 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.599 -3.794 3.274 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.081 -4.463 2.709 1.00 0.00 H new ATOM 1226 N VAL A 81 -1.149 -1.231 -0.021 1.00 0.00 N ATOM 1227 CA VAL A 81 -0.538 -0.171 -0.872 1.00 0.00 C ATOM 1228 C VAL A 81 -1.516 0.214 -1.985 1.00 0.00 C ATOM 1229 O VAL A 81 -1.633 1.367 -2.350 1.00 0.00 O ATOM 1230 CB VAL A 81 0.758 -0.696 -1.490 1.00 0.00 C ATOM 1231 CG1 VAL A 81 1.058 0.071 -2.779 1.00 0.00 C ATOM 1232 CG2 VAL A 81 1.909 -0.499 -0.501 1.00 0.00 C ATOM 0 H VAL A 81 -0.521 -1.989 0.246 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.319 0.705 -0.261 1.00 0.00 H new ATOM 0 HB VAL A 81 0.648 -1.757 -1.716 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.982 -0.304 -3.219 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.238 -0.068 -3.484 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.168 1.132 -2.554 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.834 -0.873 -0.940 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.017 0.562 -0.275 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.697 -1.046 0.418 1.00 0.00 H new ATOM 1242 N ILE A 82 -2.218 -0.742 -2.527 1.00 0.00 N ATOM 1243 CA ILE A 82 -3.187 -0.430 -3.616 1.00 0.00 C ATOM 1244 C ILE A 82 -4.291 0.480 -3.070 1.00 0.00 C ATOM 1245 O ILE A 82 -4.655 1.463 -3.683 1.00 0.00 O ATOM 1246 CB ILE A 82 -3.806 -1.728 -4.135 1.00 0.00 C ATOM 1247 CG1 ILE A 82 -2.767 -2.492 -4.960 1.00 0.00 C ATOM 1248 CG2 ILE A 82 -5.014 -1.403 -5.014 1.00 0.00 C ATOM 1249 CD1 ILE A 82 -3.232 -3.936 -5.159 1.00 0.00 C ATOM 0 H ILE A 82 -2.163 -1.726 -2.263 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.669 0.076 -4.431 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.125 -2.341 -3.292 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.627 -2.008 -5.926 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.802 -2.476 -4.453 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.455 -2.329 -5.384 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.754 -0.857 -4.428 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.696 -0.791 -5.858 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.492 -4.479 -5.746 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.349 -4.418 -4.188 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.187 -3.942 -5.684 1.00 0.00 H new ATOM 1261 N ASP A 83 -4.825 0.158 -1.924 1.00 0.00 N ATOM 1262 CA ASP A 83 -5.903 1.006 -1.342 1.00 0.00 C ATOM 1263 C ASP A 83 -5.369 2.419 -1.105 1.00 0.00 C ATOM 1264 O ASP A 83 -5.951 3.394 -1.535 1.00 0.00 O ATOM 1265 CB ASP A 83 -6.362 0.403 -0.012 1.00 0.00 C ATOM 1266 CG ASP A 83 -7.325 1.370 0.680 1.00 0.00 C ATOM 1267 OD1 ASP A 83 -7.532 2.450 0.151 1.00 0.00 O ATOM 1268 OD2 ASP A 83 -7.837 1.015 1.729 1.00 0.00 O ATOM 0 H ASP A 83 -4.562 -0.654 -1.366 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.746 1.048 -2.032 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.853 -0.555 -0.185 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -5.501 0.209 0.628 1.00 0.00 H new ATOM 1273 N LEU A 84 -4.262 2.538 -0.423 1.00 0.00 N ATOM 1274 CA LEU A 84 -3.690 3.888 -0.159 1.00 0.00 C ATOM 1275 C LEU A 84 -3.722 4.714 -1.446 1.00 0.00 C ATOM 1276 O LEU A 84 -4.043 5.885 -1.435 1.00 0.00 O ATOM 1277 CB LEU A 84 -2.244 3.745 0.321 1.00 0.00 C ATOM 1278 CG LEU A 84 -2.231 3.469 1.825 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -0.934 2.751 2.203 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -2.317 4.794 2.587 1.00 0.00 C ATOM 0 H LEU A 84 -3.729 1.758 -0.037 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.279 4.389 0.609 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.751 2.933 -0.213 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.685 4.655 0.103 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.083 2.841 2.085 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.926 2.555 3.275 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.869 1.808 1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.082 3.378 1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.308 4.598 3.659 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.464 5.420 2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.240 5.308 2.320 1.00 0.00 H new ATOM 1292 N ILE A 85 -3.389 4.113 -2.557 1.00 0.00 N ATOM 1293 CA ILE A 85 -3.402 4.866 -3.842 1.00 0.00 C ATOM 1294 C ILE A 85 -4.838 5.263 -4.186 1.00 0.00 C ATOM 1295 O ILE A 85 -5.095 6.354 -4.654 1.00 0.00 O ATOM 1296 CB ILE A 85 -2.836 3.981 -4.956 1.00 0.00 C ATOM 1297 CG1 ILE A 85 -1.316 3.888 -4.810 1.00 0.00 C ATOM 1298 CG2 ILE A 85 -3.181 4.590 -6.316 1.00 0.00 C ATOM 1299 CD1 ILE A 85 -0.817 2.605 -5.477 1.00 0.00 C ATOM 0 H ILE A 85 -3.109 3.135 -2.629 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.791 5.763 -3.744 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.270 2.984 -4.884 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.842 4.756 -5.268 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.040 3.893 -3.755 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.778 3.960 -7.109 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.264 4.657 -6.420 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.747 5.587 -6.389 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.266 2.538 -5.373 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.281 1.742 -4.999 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.080 2.619 -6.535 1.00 0.00 H new ATOM 1311 N LEU A 86 -5.777 4.385 -3.958 1.00 0.00 N ATOM 1312 CA LEU A 86 -7.195 4.713 -4.272 1.00 0.00 C ATOM 1313 C LEU A 86 -7.631 5.933 -3.456 1.00 0.00 C ATOM 1314 O LEU A 86 -8.290 6.823 -3.955 1.00 0.00 O ATOM 1315 CB LEU A 86 -8.085 3.519 -3.918 1.00 0.00 C ATOM 1316 CG LEU A 86 -7.742 2.340 -4.829 1.00 0.00 C ATOM 1317 CD1 LEU A 86 -8.635 1.148 -4.480 1.00 0.00 C ATOM 1318 CD2 LEU A 86 -7.973 2.740 -6.288 1.00 0.00 C ATOM 0 H LEU A 86 -5.622 3.455 -3.568 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.289 4.935 -5.335 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.940 3.240 -2.874 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -9.135 3.788 -4.033 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.697 2.064 -4.688 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.390 0.308 -5.130 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.472 0.863 -3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.680 1.423 -4.621 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.729 1.900 -6.939 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -9.018 3.016 -6.429 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.337 3.589 -6.538 1.00 0.00 H new ATOM 1330 N ARG A 87 -7.266 5.980 -2.204 1.00 0.00 N ATOM 1331 CA ARG A 87 -7.660 7.142 -1.357 1.00 0.00 C ATOM 1332 C ARG A 87 -7.424 8.440 -2.132 1.00 0.00 C ATOM 1333 O ARG A 87 -7.988 9.471 -1.820 1.00 0.00 O ATOM 1334 CB ARG A 87 -6.817 7.151 -0.080 1.00 0.00 C ATOM 1335 CG ARG A 87 -7.427 8.126 0.928 1.00 0.00 C ATOM 1336 CD ARG A 87 -6.777 7.919 2.298 1.00 0.00 C ATOM 1337 NE ARG A 87 -6.523 9.243 2.933 1.00 0.00 N ATOM 1338 CZ ARG A 87 -6.254 9.313 4.208 1.00 0.00 C ATOM 1339 NH1 ARG A 87 -6.210 8.225 4.928 1.00 0.00 N ATOM 1340 NH2 ARG A 87 -6.031 10.473 4.764 1.00 0.00 N ATOM 0 H ARG A 87 -6.713 5.265 -1.731 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.715 7.061 -1.096 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.774 6.149 0.347 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.792 7.443 -0.310 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.276 9.152 0.594 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.503 7.968 0.997 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.427 7.318 2.934 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.841 7.370 2.189 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.559 10.094 2.372 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -6.386 7.319 4.494 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.000 8.281 5.924 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.067 11.323 4.202 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.821 10.529 5.761 1.00 0.00 H new ATOM 1354 N ASN A 88 -6.596 8.400 -3.139 1.00 0.00 N ATOM 1355 CA ASN A 88 -6.325 9.633 -3.930 1.00 0.00 C ATOM 1356 C ASN A 88 -6.618 9.367 -5.408 1.00 0.00 C ATOM 1357 O ASN A 88 -7.673 9.699 -5.911 1.00 0.00 O ATOM 1358 CB ASN A 88 -4.857 10.033 -3.765 1.00 0.00 C ATOM 1359 CG ASN A 88 -4.579 10.364 -2.299 1.00 0.00 C ATOM 1360 OD1 ASN A 88 -3.448 10.323 -1.859 1.00 0.00 O ATOM 1361 ND2 ASN A 88 -5.571 10.692 -1.517 1.00 0.00 N ATOM 0 H ASN A 88 -6.095 7.567 -3.448 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.964 10.441 -3.573 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.209 9.221 -4.094 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -4.632 10.895 -4.392 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -5.396 10.914 -0.537 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -6.521 10.727 -1.886 1.00 0.00 H new ATOM 1368 N GLY A 89 -5.691 8.773 -6.109 1.00 0.00 N ATOM 1369 CA GLY A 89 -5.918 8.490 -7.554 1.00 0.00 C ATOM 1370 C GLY A 89 -5.785 9.787 -8.354 1.00 0.00 C ATOM 1371 O GLY A 89 -6.451 10.766 -8.081 1.00 0.00 O ATOM 0 H GLY A 89 -4.787 8.472 -5.744 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.196 7.755 -7.910 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.909 8.060 -7.700 1.00 0.00 H new ATOM 1375 N LYS A 90 -4.930 9.804 -9.340 1.00 0.00 N ATOM 1376 CA LYS A 90 -4.756 11.041 -10.152 1.00 0.00 C ATOM 1377 C LYS A 90 -4.825 12.264 -9.235 1.00 0.00 C ATOM 1378 O LYS A 90 -5.655 13.134 -9.408 1.00 0.00 O ATOM 1379 CB LYS A 90 -5.869 11.124 -11.199 1.00 0.00 C ATOM 1380 CG LYS A 90 -5.582 10.135 -12.330 1.00 0.00 C ATOM 1381 CD LYS A 90 -5.132 10.899 -13.576 1.00 0.00 C ATOM 1382 CE LYS A 90 -6.359 11.412 -14.332 1.00 0.00 C ATOM 1383 NZ LYS A 90 -5.957 11.836 -15.702 1.00 0.00 N ATOM 0 H LYS A 90 -4.345 9.016 -9.618 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.788 11.016 -10.653 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -6.832 10.898 -10.740 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -5.935 12.137 -11.596 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -4.809 9.431 -12.024 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.475 9.551 -12.552 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.492 11.734 -13.292 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -4.541 10.249 -14.220 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -7.117 10.631 -14.389 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -6.805 12.250 -13.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -6.791 12.185 -16.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -5.248 12.594 -15.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -5.551 11.025 -16.211 1.00 0.00 H new