USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 462 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 GLN : amide:sc= -0.615 K(o=-0.62,f=-1.8) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 1.09 (180deg=1.09) USER MOD Single : A 10 ASN : amide:sc= -0.625 K(o=-0.63,f=-7.7!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS :FLIP no HD1:sc= -0.353 F(o=-1.4,f=-0.35) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0.617 K(o=0.62,f=-1.4!) USER MOD Single : A 39 LYS NZ :NH3+ 166:sc= -0.0537 (180deg=-0.256) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -1.79 X(o=-1.8,f=-2.1) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 59 GLN : amide:sc=-0.00583 K(o=-0.0058,f=-0.85) USER MOD Single : A 62 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -159:sc= 1.17 (180deg=-0.0618) USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 3.552 -4.922 -1.502 1.00 71.33 N ATOM 21 CA GLU A 2 4.512 -4.952 -2.580 1.00 41.23 C ATOM 22 C GLU A 2 3.827 -5.026 -3.934 1.00 11.00 C ATOM 23 O GLU A 2 3.532 -6.106 -4.436 1.00 32.44 O ATOM 24 CB GLU A 2 5.478 -6.129 -2.402 1.00 4.12 C ATOM 25 CG GLU A 2 6.064 -6.235 -1.000 1.00 44.41 C ATOM 26 CD GLU A 2 6.345 -4.883 -0.373 1.00 24.54 C ATOM 27 OE1 GLU A 2 7.262 -4.177 -0.848 1.00 64.54 O ATOM 28 OE2 GLU A 2 5.624 -4.520 0.585 1.00 54.32 O ATOM 0 HA GLU A 2 5.080 -4.022 -2.547 1.00 41.23 H new ATOM 0 HB2 GLU A 2 4.955 -7.056 -2.638 1.00 4.12 H new ATOM 0 HB3 GLU A 2 6.292 -6.031 -3.120 1.00 4.12 H new ATOM 0 HG2 GLU A 2 5.373 -6.788 -0.364 1.00 44.41 H new ATOM 0 HG3 GLU A 2 6.989 -6.810 -1.041 1.00 44.41 H new ATOM 35 N GLN A 3 3.555 -3.866 -4.502 1.00 5.35 N ATOM 36 CA GLN A 3 3.022 -3.783 -5.850 1.00 45.21 C ATOM 37 C GLN A 3 4.185 -3.631 -6.822 1.00 31.34 C ATOM 38 O GLN A 3 5.021 -2.736 -6.665 1.00 53.31 O ATOM 39 CB GLN A 3 2.049 -2.598 -5.959 1.00 51.24 C ATOM 40 CG GLN A 3 1.161 -2.612 -7.200 1.00 34.30 C ATOM 41 CD GLN A 3 1.886 -2.202 -8.467 1.00 52.34 C ATOM 42 OE1 GLN A 3 2.820 -1.398 -8.436 1.00 71.13 O ATOM 43 NE2 GLN A 3 1.460 -2.752 -9.592 1.00 22.04 N ATOM 0 H GLN A 3 3.695 -2.963 -4.048 1.00 5.35 H new ATOM 0 HA GLN A 3 2.468 -4.689 -6.094 1.00 45.21 H new ATOM 0 HB2 GLN A 3 1.413 -2.586 -5.074 1.00 51.24 H new ATOM 0 HB3 GLN A 3 2.624 -1.672 -5.951 1.00 51.24 H new ATOM 0 HG2 GLN A 3 0.752 -3.613 -7.333 1.00 34.30 H new ATOM 0 HG3 GLN A 3 0.317 -1.941 -7.041 1.00 34.30 H new ATOM 0 HE21 GLN A 3 0.684 -3.413 -9.574 1.00 22.04 H new ATOM 0 HE22 GLN A 3 1.908 -2.515 -10.477 1.00 22.04 H new ATOM 52 N GLY A 4 4.266 -4.518 -7.800 1.00 64.51 N ATOM 53 CA GLY A 4 5.371 -4.472 -8.730 1.00 72.15 C ATOM 54 C GLY A 4 5.183 -5.403 -9.905 1.00 73.04 C ATOM 55 O GLY A 4 4.061 -5.792 -10.230 1.00 62.11 O ATOM 0 H GLY A 4 3.591 -5.264 -7.966 1.00 64.51 H new ATOM 0 HA2 GLY A 4 5.491 -3.452 -9.095 1.00 72.15 H new ATOM 0 HA3 GLY A 4 6.291 -4.734 -8.208 1.00 72.15 H new ATOM 59 N THR A 5 6.282 -5.764 -10.539 1.00 3.41 N ATOM 60 CA THR A 5 6.240 -6.618 -11.710 1.00 74.54 C ATOM 61 C THR A 5 6.984 -7.923 -11.447 1.00 23.53 C ATOM 62 O THR A 5 8.041 -7.928 -10.805 1.00 72.05 O ATOM 63 CB THR A 5 6.858 -5.898 -12.926 1.00 50.54 C ATOM 64 OG1 THR A 5 6.231 -4.620 -13.096 1.00 45.02 O ATOM 65 CG2 THR A 5 6.696 -6.713 -14.201 1.00 71.30 C ATOM 0 H THR A 5 7.220 -5.477 -10.260 1.00 3.41 H new ATOM 0 HA THR A 5 5.197 -6.846 -11.928 1.00 74.54 H new ATOM 0 HB THR A 5 7.924 -5.773 -12.736 1.00 50.54 H new ATOM 0 HG1 THR A 5 6.625 -4.162 -13.868 1.00 45.02 H new ATOM 0 HG21 THR A 5 7.143 -6.174 -15.036 1.00 71.30 H new ATOM 0 HG22 THR A 5 7.192 -7.676 -14.083 1.00 71.30 H new ATOM 0 HG23 THR A 5 5.636 -6.873 -14.398 1.00 71.30 H new ATOM 73 N VAL A 6 6.415 -9.026 -11.915 1.00 13.41 N ATOM 74 CA VAL A 6 7.065 -10.320 -11.799 1.00 63.15 C ATOM 75 C VAL A 6 8.315 -10.346 -12.669 1.00 12.10 C ATOM 76 O VAL A 6 8.223 -10.352 -13.896 1.00 2.42 O ATOM 77 CB VAL A 6 6.131 -11.478 -12.213 1.00 74.23 C ATOM 78 CG1 VAL A 6 6.821 -12.817 -12.011 1.00 2.21 C ATOM 79 CG2 VAL A 6 4.835 -11.430 -11.422 1.00 33.35 C ATOM 0 H VAL A 6 5.506 -9.048 -12.377 1.00 13.41 H new ATOM 0 HA VAL A 6 7.329 -10.461 -10.751 1.00 63.15 H new ATOM 0 HB VAL A 6 5.895 -11.364 -13.271 1.00 74.23 H new ATOM 0 HG11 VAL A 6 6.148 -13.621 -12.308 1.00 2.21 H new ATOM 0 HG12 VAL A 6 7.724 -12.856 -12.620 1.00 2.21 H new ATOM 0 HG13 VAL A 6 7.086 -12.935 -10.960 1.00 2.21 H new ATOM 0 HG21 VAL A 6 4.191 -12.254 -11.729 1.00 33.35 H new ATOM 0 HG22 VAL A 6 5.055 -11.518 -10.358 1.00 33.35 H new ATOM 0 HG23 VAL A 6 4.328 -10.484 -11.611 1.00 33.35 H new ATOM 89 N LYS A 7 9.476 -10.340 -12.026 1.00 23.02 N ATOM 90 CA LYS A 7 10.741 -10.340 -12.739 1.00 72.02 C ATOM 91 C LYS A 7 10.962 -11.686 -13.413 1.00 53.51 C ATOM 92 O LYS A 7 11.103 -11.764 -14.635 1.00 22.22 O ATOM 93 CB LYS A 7 11.900 -10.036 -11.783 1.00 50.21 C ATOM 94 CG LYS A 7 13.269 -10.157 -12.431 1.00 23.32 C ATOM 95 CD LYS A 7 14.384 -10.094 -11.398 1.00 52.32 C ATOM 96 CE LYS A 7 14.550 -8.698 -10.819 1.00 65.22 C ATOM 97 NZ LYS A 7 15.066 -7.737 -11.828 1.00 73.33 N ATOM 0 H LYS A 7 9.565 -10.335 -11.010 1.00 23.02 H new ATOM 0 HA LYS A 7 10.707 -9.561 -13.501 1.00 72.02 H new ATOM 0 HB2 LYS A 7 11.781 -9.026 -11.390 1.00 50.21 H new ATOM 0 HB3 LYS A 7 11.848 -10.717 -10.933 1.00 50.21 H new ATOM 0 HG2 LYS A 7 13.332 -11.098 -12.978 1.00 23.32 H new ATOM 0 HG3 LYS A 7 13.400 -9.356 -13.158 1.00 23.32 H new ATOM 0 HD2 LYS A 7 14.171 -10.797 -10.593 1.00 52.32 H new ATOM 0 HD3 LYS A 7 15.321 -10.409 -11.857 1.00 52.32 H new ATOM 0 HE2 LYS A 7 13.591 -8.346 -10.440 1.00 65.22 H new ATOM 0 HE3 LYS A 7 15.234 -8.736 -9.971 1.00 65.22 H new ATOM 0 HZ1 LYS A 7 15.165 -6.797 -11.394 1.00 73.33 H new ATOM 0 HZ2 LYS A 7 15.993 -8.059 -12.172 1.00 73.33 H new ATOM 0 HZ3 LYS A 7 14.401 -7.681 -12.626 1.00 73.33 H new ATOM 111 N TRP A 8 10.968 -12.744 -12.612 1.00 5.02 N ATOM 112 CA TRP A 8 11.249 -14.080 -13.116 1.00 23.25 C ATOM 113 C TRP A 8 10.876 -15.121 -12.068 1.00 31.54 C ATOM 114 O TRP A 8 11.088 -14.906 -10.880 1.00 24.32 O ATOM 115 CB TRP A 8 12.735 -14.188 -13.482 1.00 41.24 C ATOM 116 CG TRP A 8 13.144 -15.523 -14.027 1.00 42.22 C ATOM 117 CD1 TRP A 8 12.542 -16.221 -15.033 1.00 42.22 C ATOM 118 CD2 TRP A 8 14.266 -16.307 -13.611 1.00 43.52 C ATOM 119 NE1 TRP A 8 13.213 -17.399 -15.256 1.00 55.01 N ATOM 120 CE2 TRP A 8 14.276 -17.472 -14.395 1.00 52.24 C ATOM 121 CE3 TRP A 8 15.259 -16.136 -12.642 1.00 74.11 C ATOM 122 CZ2 TRP A 8 15.247 -18.460 -14.249 1.00 4.42 C ATOM 123 CZ3 TRP A 8 16.221 -17.117 -12.496 1.00 24.23 C ATOM 124 CH2 TRP A 8 16.208 -18.266 -13.294 1.00 12.02 C ATOM 0 H TRP A 8 10.781 -12.702 -11.610 1.00 5.02 H new ATOM 0 HA TRP A 8 10.653 -14.265 -14.010 1.00 23.25 H new ATOM 0 HB2 TRP A 8 12.972 -13.421 -14.219 1.00 41.24 H new ATOM 0 HB3 TRP A 8 13.331 -13.973 -12.595 1.00 41.24 H new ATOM 0 HD1 TRP A 8 11.666 -15.895 -15.575 1.00 42.22 H new ATOM 0 HE1 TRP A 8 12.961 -18.104 -15.949 1.00 55.01 H new ATOM 0 HE3 TRP A 8 15.274 -15.254 -12.019 1.00 74.11 H new ATOM 0 HZ2 TRP A 8 15.242 -19.346 -14.866 1.00 4.42 H new ATOM 0 HZ3 TRP A 8 16.996 -16.995 -11.754 1.00 24.23 H new ATOM 0 HH2 TRP A 8 16.972 -19.016 -13.153 1.00 12.02 H new ATOM 135 N PHE A 9 10.300 -16.232 -12.503 1.00 32.01 N ATOM 136 CA PHE A 9 9.940 -17.307 -11.592 1.00 41.23 C ATOM 137 C PHE A 9 10.759 -18.558 -11.906 1.00 4.43 C ATOM 138 O PHE A 9 10.415 -19.350 -12.781 1.00 55.14 O ATOM 139 CB PHE A 9 8.423 -17.586 -11.641 1.00 12.32 C ATOM 140 CG PHE A 9 7.887 -17.999 -12.992 1.00 43.42 C ATOM 141 CD1 PHE A 9 7.833 -17.098 -14.045 1.00 32.23 C ATOM 142 CD2 PHE A 9 7.426 -19.291 -13.200 1.00 22.44 C ATOM 143 CE1 PHE A 9 7.334 -17.479 -15.277 1.00 43.22 C ATOM 144 CE2 PHE A 9 6.928 -19.676 -14.430 1.00 52.11 C ATOM 145 CZ PHE A 9 6.881 -18.770 -15.469 1.00 33.20 C ATOM 0 H PHE A 9 10.072 -16.412 -13.481 1.00 32.01 H new ATOM 0 HA PHE A 9 10.175 -17.000 -10.573 1.00 41.23 H new ATOM 0 HB2 PHE A 9 8.191 -18.371 -10.921 1.00 12.32 H new ATOM 0 HB3 PHE A 9 7.894 -16.689 -11.317 1.00 12.32 H new ATOM 0 HD1 PHE A 9 8.185 -16.087 -13.901 1.00 32.23 H new ATOM 0 HD2 PHE A 9 7.457 -20.005 -12.390 1.00 22.44 H new ATOM 0 HE1 PHE A 9 7.298 -16.768 -16.089 1.00 43.22 H new ATOM 0 HE2 PHE A 9 6.576 -20.686 -14.578 1.00 52.11 H new ATOM 0 HZ PHE A 9 6.491 -19.069 -16.431 1.00 33.20 H new ATOM 155 N ASN A 10 11.860 -18.716 -11.192 1.00 3.41 N ATOM 156 CA ASN A 10 12.794 -19.803 -11.450 1.00 41.15 C ATOM 157 C ASN A 10 12.196 -21.159 -11.087 1.00 0.44 C ATOM 158 O ASN A 10 12.329 -21.637 -9.958 1.00 33.01 O ATOM 159 CB ASN A 10 14.129 -19.586 -10.714 1.00 54.44 C ATOM 160 CG ASN A 10 13.977 -19.187 -9.251 1.00 2.31 C ATOM 161 OD1 ASN A 10 13.059 -18.465 -8.877 1.00 50.11 O ATOM 162 ND2 ASN A 10 14.886 -19.654 -8.413 1.00 52.50 N ATOM 0 H ASN A 10 12.132 -18.102 -10.424 1.00 3.41 H new ATOM 0 HA ASN A 10 12.994 -19.801 -12.522 1.00 41.15 H new ATOM 0 HB2 ASN A 10 14.715 -20.503 -10.770 1.00 54.44 H new ATOM 0 HB3 ASN A 10 14.696 -18.813 -11.233 1.00 54.44 H new ATOM 0 HD21 ASN A 10 14.837 -19.416 -7.422 1.00 52.50 H new ATOM 0 HD22 ASN A 10 15.637 -20.252 -8.757 1.00 52.50 H new ATOM 169 N ALA A 11 11.534 -21.775 -12.062 1.00 50.30 N ATOM 170 CA ALA A 11 10.971 -23.110 -11.900 1.00 65.30 C ATOM 171 C ALA A 11 12.082 -24.147 -11.796 1.00 1.15 C ATOM 172 O ALA A 11 11.850 -25.292 -11.409 1.00 54.11 O ATOM 173 CB ALA A 11 10.044 -23.433 -13.061 1.00 42.42 C ATOM 0 H ALA A 11 11.374 -21.365 -12.982 1.00 50.30 H new ATOM 0 HA ALA A 11 10.392 -23.136 -10.977 1.00 65.30 H new ATOM 0 HB1 ALA A 11 9.630 -24.433 -12.929 1.00 42.42 H new ATOM 0 HB2 ALA A 11 9.233 -22.705 -13.092 1.00 42.42 H new ATOM 0 HB3 ALA A 11 10.604 -23.393 -13.995 1.00 42.42 H new ATOM 179 N GLU A 12 13.289 -23.725 -12.161 1.00 42.20 N ATOM 180 CA GLU A 12 14.491 -24.531 -11.996 1.00 43.51 C ATOM 181 C GLU A 12 14.650 -24.962 -10.541 1.00 33.13 C ATOM 182 O GLU A 12 15.081 -26.078 -10.253 1.00 13.01 O ATOM 183 CB GLU A 12 15.706 -23.706 -12.425 1.00 54.34 C ATOM 184 CG GLU A 12 17.032 -24.444 -12.347 1.00 71.11 C ATOM 185 CD GLU A 12 18.203 -23.536 -12.651 1.00 71.02 C ATOM 186 OE1 GLU A 12 18.375 -23.158 -13.830 1.00 1.53 O ATOM 187 OE2 GLU A 12 18.940 -23.172 -11.712 1.00 73.24 O ATOM 0 H GLU A 12 13.460 -22.811 -12.581 1.00 42.20 H new ATOM 0 HA GLU A 12 14.410 -25.425 -12.614 1.00 43.51 H new ATOM 0 HB2 GLU A 12 15.554 -23.366 -13.449 1.00 54.34 H new ATOM 0 HB3 GLU A 12 15.763 -22.816 -11.799 1.00 54.34 H new ATOM 0 HG2 GLU A 12 17.152 -24.870 -11.351 1.00 71.11 H new ATOM 0 HG3 GLU A 12 17.026 -25.276 -13.051 1.00 71.11 H new ATOM 194 N LYS A 13 14.288 -24.066 -9.632 1.00 21.23 N ATOM 195 CA LYS A 13 14.441 -24.318 -8.207 1.00 41.43 C ATOM 196 C LYS A 13 13.084 -24.297 -7.508 1.00 32.10 C ATOM 197 O LYS A 13 12.964 -24.696 -6.351 1.00 34.34 O ATOM 198 CB LYS A 13 15.379 -23.275 -7.597 1.00 72.42 C ATOM 199 CG LYS A 13 16.729 -23.213 -8.296 1.00 73.22 C ATOM 200 CD LYS A 13 17.580 -22.050 -7.811 1.00 24.23 C ATOM 201 CE LYS A 13 18.106 -22.270 -6.402 1.00 43.34 C ATOM 202 NZ LYS A 13 19.039 -21.186 -5.991 1.00 11.11 N ATOM 0 H LYS A 13 13.886 -23.156 -9.858 1.00 21.23 H new ATOM 0 HA LYS A 13 14.875 -25.308 -8.067 1.00 41.43 H new ATOM 0 HB2 LYS A 13 14.905 -22.295 -7.645 1.00 72.42 H new ATOM 0 HB3 LYS A 13 15.532 -23.503 -6.542 1.00 72.42 H new ATOM 0 HG2 LYS A 13 17.265 -24.147 -8.128 1.00 73.22 H new ATOM 0 HG3 LYS A 13 16.575 -23.123 -9.371 1.00 73.22 H new ATOM 0 HD2 LYS A 13 18.419 -21.908 -8.492 1.00 24.23 H new ATOM 0 HD3 LYS A 13 16.989 -21.134 -7.837 1.00 24.23 H new ATOM 0 HE2 LYS A 13 17.270 -22.316 -5.704 1.00 43.34 H new ATOM 0 HE3 LYS A 13 18.618 -23.231 -6.350 1.00 43.34 H new ATOM 0 HZ1 LYS A 13 19.379 -21.368 -5.025 1.00 11.11 H new ATOM 0 HZ2 LYS A 13 19.849 -21.159 -6.643 1.00 11.11 H new ATOM 0 HZ3 LYS A 13 18.543 -20.272 -6.017 1.00 11.11 H new ATOM 216 N GLY A 14 12.070 -23.827 -8.225 1.00 12.30 N ATOM 217 CA GLY A 14 10.723 -23.791 -7.687 1.00 60.33 C ATOM 218 C GLY A 14 10.453 -22.534 -6.890 1.00 10.00 C ATOM 219 O GLY A 14 9.853 -22.588 -5.815 1.00 54.52 O ATOM 0 H GLY A 14 12.158 -23.468 -9.176 1.00 12.30 H new ATOM 0 HA2 GLY A 14 10.006 -23.860 -8.505 1.00 60.33 H new ATOM 0 HA3 GLY A 14 10.566 -24.662 -7.051 1.00 60.33 H new ATOM 223 N PHE A 15 10.887 -21.395 -7.416 1.00 23.05 N ATOM 224 CA PHE A 15 10.734 -20.128 -6.713 1.00 24.40 C ATOM 225 C PHE A 15 10.338 -19.023 -7.680 1.00 64.14 C ATOM 226 O PHE A 15 9.960 -19.285 -8.823 1.00 63.20 O ATOM 227 CB PHE A 15 12.033 -19.739 -5.994 1.00 12.11 C ATOM 228 CG PHE A 15 12.437 -20.683 -4.897 1.00 74.43 C ATOM 229 CD1 PHE A 15 11.751 -20.703 -3.693 1.00 45.13 C ATOM 230 CD2 PHE A 15 13.508 -21.545 -5.070 1.00 63.12 C ATOM 231 CE1 PHE A 15 12.125 -21.567 -2.682 1.00 33.24 C ATOM 232 CE2 PHE A 15 13.886 -22.412 -4.064 1.00 63.41 C ATOM 233 CZ PHE A 15 13.194 -22.424 -2.869 1.00 62.45 C ATOM 0 H PHE A 15 11.346 -21.323 -8.324 1.00 23.05 H new ATOM 0 HA PHE A 15 9.945 -20.254 -5.971 1.00 24.40 H new ATOM 0 HB2 PHE A 15 12.838 -19.685 -6.727 1.00 12.11 H new ATOM 0 HB3 PHE A 15 11.917 -18.740 -5.574 1.00 12.11 H new ATOM 0 HD1 PHE A 15 10.915 -20.036 -3.543 1.00 45.13 H new ATOM 0 HD2 PHE A 15 14.053 -21.539 -6.002 1.00 63.12 H new ATOM 0 HE1 PHE A 15 11.584 -21.573 -1.748 1.00 33.24 H new ATOM 0 HE2 PHE A 15 14.722 -23.080 -4.212 1.00 63.41 H new ATOM 0 HZ PHE A 15 13.487 -23.102 -2.081 1.00 62.45 H new ATOM 243 N GLY A 16 10.423 -17.791 -7.209 1.00 43.11 N ATOM 244 CA GLY A 16 10.141 -16.644 -8.043 1.00 72.04 C ATOM 245 C GLY A 16 10.696 -15.375 -7.437 1.00 1.14 C ATOM 246 O GLY A 16 10.981 -15.333 -6.239 1.00 13.14 O ATOM 0 H GLY A 16 10.686 -17.563 -6.250 1.00 43.11 H new ATOM 0 HA2 GLY A 16 10.572 -16.796 -9.032 1.00 72.04 H new ATOM 0 HA3 GLY A 16 9.064 -16.545 -8.177 1.00 72.04 H new ATOM 250 N PHE A 17 10.869 -14.348 -8.256 1.00 13.41 N ATOM 251 CA PHE A 17 11.369 -13.069 -7.778 1.00 0.03 C ATOM 252 C PHE A 17 10.563 -11.917 -8.366 1.00 2.34 C ATOM 253 O PHE A 17 10.279 -11.884 -9.572 1.00 73.14 O ATOM 254 CB PHE A 17 12.850 -12.900 -8.135 1.00 15.34 C ATOM 255 CG PHE A 17 13.755 -13.895 -7.466 1.00 43.32 C ATOM 256 CD1 PHE A 17 14.118 -13.737 -6.139 1.00 40.13 C ATOM 257 CD2 PHE A 17 14.241 -14.989 -8.165 1.00 0.41 C ATOM 258 CE1 PHE A 17 14.950 -14.650 -5.521 1.00 24.35 C ATOM 259 CE2 PHE A 17 15.074 -15.905 -7.553 1.00 60.33 C ATOM 260 CZ PHE A 17 15.428 -15.735 -6.230 1.00 22.04 C ATOM 0 H PHE A 17 10.670 -14.376 -9.256 1.00 13.41 H new ATOM 0 HA PHE A 17 11.262 -13.054 -6.693 1.00 0.03 H new ATOM 0 HB2 PHE A 17 12.965 -12.988 -9.215 1.00 15.34 H new ATOM 0 HB3 PHE A 17 13.167 -11.894 -7.861 1.00 15.34 H new ATOM 0 HD1 PHE A 17 13.746 -12.890 -5.581 1.00 40.13 H new ATOM 0 HD2 PHE A 17 13.965 -15.127 -9.200 1.00 0.41 H new ATOM 0 HE1 PHE A 17 15.226 -14.516 -4.486 1.00 24.35 H new ATOM 0 HE2 PHE A 17 15.448 -16.752 -8.109 1.00 60.33 H new ATOM 0 HZ PHE A 17 16.079 -16.450 -5.749 1.00 22.04 H new ATOM 270 N ILE A 18 10.203 -10.974 -7.503 1.00 14.24 N ATOM 271 CA ILE A 18 9.479 -9.773 -7.914 1.00 1.13 C ATOM 272 C ILE A 18 10.400 -8.560 -7.822 1.00 3.33 C ATOM 273 O ILE A 18 11.267 -8.505 -6.949 1.00 45.30 O ATOM 274 CB ILE A 18 8.236 -9.519 -7.020 1.00 43.15 C ATOM 275 CG1 ILE A 18 7.350 -10.764 -6.949 1.00 30.02 C ATOM 276 CG2 ILE A 18 7.428 -8.329 -7.526 1.00 22.35 C ATOM 277 CD1 ILE A 18 6.822 -11.227 -8.289 1.00 52.21 C ATOM 0 H ILE A 18 10.403 -11.018 -6.504 1.00 14.24 H new ATOM 0 HA ILE A 18 9.145 -9.926 -8.940 1.00 1.13 H new ATOM 0 HB ILE A 18 8.595 -9.289 -6.017 1.00 43.15 H new ATOM 0 HG12 ILE A 18 7.919 -11.576 -6.495 1.00 30.02 H new ATOM 0 HG13 ILE A 18 6.506 -10.559 -6.290 1.00 30.02 H new ATOM 0 HG21 ILE A 18 6.564 -8.175 -6.880 1.00 22.35 H new ATOM 0 HG22 ILE A 18 8.052 -7.435 -7.516 1.00 22.35 H new ATOM 0 HG23 ILE A 18 7.090 -8.525 -8.544 1.00 22.35 H new ATOM 0 HD11 ILE A 18 6.204 -12.114 -8.150 1.00 52.21 H new ATOM 0 HD12 ILE A 18 6.223 -10.434 -8.738 1.00 52.21 H new ATOM 0 HD13 ILE A 18 7.658 -11.467 -8.946 1.00 52.21 H new ATOM 289 N GLU A 19 10.227 -7.597 -8.717 1.00 74.15 N ATOM 290 CA GLU A 19 10.997 -6.365 -8.648 1.00 32.40 C ATOM 291 C GLU A 19 10.129 -5.255 -8.064 1.00 30.51 C ATOM 292 O GLU A 19 9.012 -5.017 -8.531 1.00 12.51 O ATOM 293 CB GLU A 19 11.541 -5.987 -10.028 1.00 72.01 C ATOM 294 CG GLU A 19 12.484 -4.795 -10.006 1.00 4.31 C ATOM 295 CD GLU A 19 13.452 -4.799 -11.171 1.00 4.31 C ATOM 296 OE1 GLU A 19 13.081 -4.340 -12.269 1.00 22.20 O ATOM 297 OE2 GLU A 19 14.590 -5.283 -10.994 1.00 22.03 O ATOM 0 H GLU A 19 9.566 -7.645 -9.492 1.00 74.15 H new ATOM 0 HA GLU A 19 11.856 -6.513 -7.994 1.00 32.40 H new ATOM 0 HB2 GLU A 19 12.064 -6.845 -10.451 1.00 72.01 H new ATOM 0 HB3 GLU A 19 10.704 -5.765 -10.691 1.00 72.01 H new ATOM 0 HG2 GLU A 19 11.901 -3.874 -10.026 1.00 4.31 H new ATOM 0 HG3 GLU A 19 13.045 -4.797 -9.072 1.00 4.31 H new ATOM 304 N ARG A 20 10.634 -4.598 -7.030 1.00 72.32 N ATOM 305 CA ARG A 20 9.844 -3.641 -6.272 1.00 71.13 C ATOM 306 C ARG A 20 10.494 -2.265 -6.223 1.00 64.32 C ATOM 307 O ARG A 20 11.613 -2.068 -6.696 1.00 61.41 O ATOM 308 CB ARG A 20 9.630 -4.162 -4.852 1.00 53.31 C ATOM 309 CG ARG A 20 8.388 -5.019 -4.704 1.00 1.14 C ATOM 310 CD ARG A 20 7.147 -4.149 -4.663 1.00 51.30 C ATOM 311 NE ARG A 20 7.105 -3.327 -3.453 1.00 51.42 N ATOM 312 CZ ARG A 20 6.701 -2.058 -3.410 1.00 41.30 C ATOM 313 NH1 ARG A 20 6.235 -1.456 -4.501 1.00 13.21 N ATOM 314 NH2 ARG A 20 6.734 -1.409 -2.256 1.00 41.43 N ATOM 0 H ARG A 20 11.591 -4.711 -6.696 1.00 72.32 H new ATOM 0 HA ARG A 20 8.886 -3.531 -6.780 1.00 71.13 H new ATOM 0 HB2 ARG A 20 10.501 -4.744 -4.552 1.00 53.31 H new ATOM 0 HB3 ARG A 20 9.561 -3.315 -4.169 1.00 53.31 H new ATOM 0 HG2 ARG A 20 8.321 -5.720 -5.536 1.00 1.14 H new ATOM 0 HG3 ARG A 20 8.454 -5.612 -3.792 1.00 1.14 H new ATOM 0 HD2 ARG A 20 7.124 -3.505 -5.542 1.00 51.30 H new ATOM 0 HD3 ARG A 20 6.259 -4.779 -4.707 1.00 51.30 H new ATOM 0 HE ARG A 20 7.407 -3.757 -2.579 1.00 51.42 H new ATOM 0 HH11 ARG A 20 6.184 -1.966 -5.383 1.00 13.21 H new ATOM 0 HH12 ARG A 20 5.929 -0.484 -4.456 1.00 13.21 H new ATOM 0 HH21 ARG A 20 7.066 -1.881 -1.415 1.00 41.43 H new ATOM 0 HH22 ARG A 20 6.428 -0.437 -2.208 1.00 41.43 H new ATOM 328 N GLU A 21 9.770 -1.324 -5.626 1.00 4.22 N ATOM 329 CA GLU A 21 10.223 0.053 -5.496 1.00 11.02 C ATOM 330 C GLU A 21 11.385 0.158 -4.518 1.00 24.25 C ATOM 331 O GLU A 21 12.408 0.773 -4.811 1.00 14.14 O ATOM 332 CB GLU A 21 9.066 0.922 -4.997 1.00 12.35 C ATOM 333 CG GLU A 21 9.463 2.350 -4.661 1.00 70.13 C ATOM 334 CD GLU A 21 8.648 2.912 -3.516 1.00 4.52 C ATOM 335 OE1 GLU A 21 9.037 2.690 -2.348 1.00 23.42 O ATOM 336 OE2 GLU A 21 7.620 3.571 -3.770 1.00 60.43 O ATOM 0 H GLU A 21 8.851 -1.497 -5.218 1.00 4.22 H new ATOM 0 HA GLU A 21 10.561 0.397 -6.474 1.00 11.02 H new ATOM 0 HB2 GLU A 21 8.286 0.943 -5.759 1.00 12.35 H new ATOM 0 HB3 GLU A 21 8.633 0.458 -4.110 1.00 12.35 H new ATOM 0 HG2 GLU A 21 10.521 2.380 -4.402 1.00 70.13 H new ATOM 0 HG3 GLU A 21 9.333 2.979 -5.542 1.00 70.13 H new ATOM 343 N ASN A 22 11.221 -0.459 -3.359 1.00 64.43 N ATOM 344 CA ASN A 22 12.183 -0.308 -2.277 1.00 52.13 C ATOM 345 C ASN A 22 13.174 -1.467 -2.255 1.00 72.52 C ATOM 346 O ASN A 22 14.268 -1.346 -1.705 1.00 13.34 O ATOM 347 CB ASN A 22 11.440 -0.221 -0.940 1.00 63.13 C ATOM 348 CG ASN A 22 12.323 0.219 0.215 1.00 42.21 C ATOM 349 OD1 ASN A 22 12.945 -0.600 0.889 1.00 42.43 O ATOM 350 ND2 ASN A 22 12.379 1.521 0.453 1.00 44.34 N ATOM 0 H ASN A 22 10.432 -1.068 -3.143 1.00 64.43 H new ATOM 0 HA ASN A 22 12.747 0.610 -2.441 1.00 52.13 H new ATOM 0 HB2 ASN A 22 10.610 0.478 -1.039 1.00 63.13 H new ATOM 0 HB3 ASN A 22 11.010 -1.195 -0.708 1.00 63.13 H new ATOM 0 HD21 ASN A 22 12.953 1.875 1.218 1.00 44.34 H new ATOM 0 HD22 ASN A 22 11.848 2.169 -0.129 1.00 44.34 H new ATOM 357 N GLY A 23 12.794 -2.585 -2.859 1.00 44.41 N ATOM 358 CA GLY A 23 13.647 -3.756 -2.842 1.00 23.34 C ATOM 359 C GLY A 23 13.691 -4.470 -4.173 1.00 62.30 C ATOM 360 O GLY A 23 12.743 -4.411 -4.954 1.00 63.14 O ATOM 0 H GLY A 23 11.913 -2.702 -3.359 1.00 44.41 H new ATOM 0 HA2 GLY A 23 14.657 -3.459 -2.561 1.00 23.34 H new ATOM 0 HA3 GLY A 23 13.293 -4.446 -2.076 1.00 23.34 H new ATOM 364 N ASP A 24 14.796 -5.146 -4.429 1.00 21.35 N ATOM 365 CA ASP A 24 14.972 -5.893 -5.663 1.00 24.41 C ATOM 366 C ASP A 24 15.014 -7.387 -5.376 1.00 2.15 C ATOM 367 O ASP A 24 15.551 -7.813 -4.352 1.00 61.44 O ATOM 368 CB ASP A 24 16.250 -5.456 -6.391 1.00 72.10 C ATOM 369 CG ASP A 24 17.503 -5.611 -5.546 1.00 43.01 C ATOM 370 OD1 ASP A 24 17.761 -4.737 -4.691 1.00 53.51 O ATOM 371 OD2 ASP A 24 18.242 -6.601 -5.733 1.00 14.40 O ATOM 0 H ASP A 24 15.592 -5.193 -3.793 1.00 21.35 H new ATOM 0 HA ASP A 24 14.121 -5.683 -6.311 1.00 24.41 H new ATOM 0 HB2 ASP A 24 16.360 -6.043 -7.303 1.00 72.10 H new ATOM 0 HB3 ASP A 24 16.150 -4.413 -6.693 1.00 72.10 H new ATOM 376 N ASP A 25 14.429 -8.166 -6.283 1.00 5.13 N ATOM 377 CA ASP A 25 14.350 -9.624 -6.150 1.00 31.23 C ATOM 378 C ASP A 25 13.723 -10.033 -4.824 1.00 24.15 C ATOM 379 O ASP A 25 14.418 -10.408 -3.878 1.00 41.33 O ATOM 380 CB ASP A 25 15.723 -10.288 -6.306 1.00 51.21 C ATOM 381 CG ASP A 25 16.223 -10.279 -7.735 1.00 53.53 C ATOM 382 OD1 ASP A 25 16.897 -9.306 -8.127 1.00 70.15 O ATOM 383 OD2 ASP A 25 15.965 -11.256 -8.469 1.00 63.24 O ATOM 0 H ASP A 25 13.995 -7.806 -7.133 1.00 5.13 H new ATOM 0 HA ASP A 25 13.709 -9.973 -6.959 1.00 31.23 H new ATOM 0 HB2 ASP A 25 16.444 -9.773 -5.671 1.00 51.21 H new ATOM 0 HB3 ASP A 25 15.665 -11.318 -5.953 1.00 51.21 H new ATOM 388 N VAL A 26 12.407 -9.935 -4.759 1.00 10.24 N ATOM 389 CA VAL A 26 11.665 -10.351 -3.580 1.00 2.52 C ATOM 390 C VAL A 26 11.365 -11.843 -3.673 1.00 14.40 C ATOM 391 O VAL A 26 10.945 -12.325 -4.728 1.00 50.50 O ATOM 392 CB VAL A 26 10.344 -9.562 -3.436 1.00 21.03 C ATOM 393 CG1 VAL A 26 9.631 -9.922 -2.141 1.00 23.04 C ATOM 394 CG2 VAL A 26 10.601 -8.064 -3.500 1.00 33.14 C ATOM 0 H VAL A 26 11.826 -9.569 -5.513 1.00 10.24 H new ATOM 0 HA VAL A 26 12.276 -10.146 -2.701 1.00 2.52 H new ATOM 0 HB VAL A 26 9.698 -9.839 -4.269 1.00 21.03 H new ATOM 0 HG11 VAL A 26 8.705 -9.352 -2.065 1.00 23.04 H new ATOM 0 HG12 VAL A 26 9.403 -10.988 -2.135 1.00 23.04 H new ATOM 0 HG13 VAL A 26 10.274 -9.684 -1.293 1.00 23.04 H new ATOM 0 HG21 VAL A 26 9.657 -7.528 -3.397 1.00 33.14 H new ATOM 0 HG22 VAL A 26 11.273 -7.775 -2.692 1.00 33.14 H new ATOM 0 HG23 VAL A 26 11.057 -7.814 -4.458 1.00 33.14 H new ATOM 404 N PHE A 27 11.588 -12.559 -2.576 1.00 15.21 N ATOM 405 CA PHE A 27 11.480 -14.015 -2.565 1.00 22.35 C ATOM 406 C PHE A 27 10.034 -14.473 -2.685 1.00 34.12 C ATOM 407 O PHE A 27 9.242 -14.310 -1.759 1.00 63.41 O ATOM 408 CB PHE A 27 12.083 -14.590 -1.281 1.00 44.44 C ATOM 409 CG PHE A 27 13.549 -14.315 -1.118 1.00 71.12 C ATOM 410 CD1 PHE A 27 14.486 -15.079 -1.793 1.00 54.12 C ATOM 411 CD2 PHE A 27 13.990 -13.297 -0.288 1.00 24.30 C ATOM 412 CE1 PHE A 27 15.836 -14.833 -1.644 1.00 42.55 C ATOM 413 CE2 PHE A 27 15.339 -13.047 -0.135 1.00 45.43 C ATOM 414 CZ PHE A 27 16.263 -13.816 -0.814 1.00 50.34 C ATOM 0 H PHE A 27 11.846 -12.152 -1.677 1.00 15.21 H new ATOM 0 HA PHE A 27 12.034 -14.383 -3.429 1.00 22.35 H new ATOM 0 HB2 PHE A 27 11.549 -14.178 -0.425 1.00 44.44 H new ATOM 0 HB3 PHE A 27 11.922 -15.668 -1.268 1.00 44.44 H new ATOM 0 HD1 PHE A 27 14.157 -15.876 -2.443 1.00 54.12 H new ATOM 0 HD2 PHE A 27 13.271 -12.693 0.245 1.00 24.30 H new ATOM 0 HE1 PHE A 27 16.557 -15.435 -2.176 1.00 42.55 H new ATOM 0 HE2 PHE A 27 15.671 -12.251 0.515 1.00 45.43 H new ATOM 0 HZ PHE A 27 17.319 -13.622 -0.696 1.00 50.34 H new ATOM 424 N VAL A 28 9.693 -15.046 -3.824 1.00 73.12 N ATOM 425 CA VAL A 28 8.367 -15.604 -4.025 1.00 54.53 C ATOM 426 C VAL A 28 8.418 -17.118 -3.909 1.00 62.45 C ATOM 427 O VAL A 28 9.275 -17.770 -4.509 1.00 0.43 O ATOM 428 CB VAL A 28 7.786 -15.221 -5.401 1.00 71.01 C ATOM 429 CG1 VAL A 28 6.367 -15.747 -5.559 1.00 2.23 C ATOM 430 CG2 VAL A 28 7.820 -13.718 -5.591 1.00 54.35 C ATOM 0 H VAL A 28 10.316 -15.138 -4.626 1.00 73.12 H new ATOM 0 HA VAL A 28 7.718 -15.189 -3.253 1.00 54.53 H new ATOM 0 HB VAL A 28 8.405 -15.683 -6.170 1.00 71.01 H new ATOM 0 HG11 VAL A 28 5.981 -15.463 -6.538 1.00 2.23 H new ATOM 0 HG12 VAL A 28 6.370 -16.833 -5.471 1.00 2.23 H new ATOM 0 HG13 VAL A 28 5.733 -15.322 -4.781 1.00 2.23 H new ATOM 0 HG21 VAL A 28 7.406 -13.465 -6.567 1.00 54.35 H new ATOM 0 HG22 VAL A 28 7.228 -13.239 -4.811 1.00 54.35 H new ATOM 0 HG23 VAL A 28 8.850 -13.367 -5.532 1.00 54.35 H new ATOM 440 N HIS A 29 7.504 -17.668 -3.127 1.00 32.31 N ATOM 441 CA HIS A 29 7.413 -19.109 -2.960 1.00 50.02 C ATOM 442 C HIS A 29 5.979 -19.567 -3.196 1.00 64.11 C ATOM 443 O HIS A 29 5.036 -18.815 -2.945 1.00 51.41 O ATOM 444 CB HIS A 29 7.933 -19.554 -1.578 1.00 3.33 C ATOM 445 CG HIS A 29 7.170 -19.037 -0.387 1.00 33.41 C ATOM 446 ND1 HIS A 29 6.489 -17.881 -0.182 1.00 53.23 N flip ATOM 447 CD2 HIS A 29 7.086 -19.738 0.796 1.00 64.24 C flip ATOM 448 CE1 HIS A 29 6.009 -17.913 1.104 1.00 42.23 C flip ATOM 449 NE2 HIS A 29 6.382 -19.044 1.670 1.00 31.03 N flip ATOM 0 H HIS A 29 6.813 -17.137 -2.597 1.00 32.31 H new ATOM 0 HA HIS A 29 8.054 -19.585 -3.702 1.00 50.02 H new ATOM 0 HB2 HIS A 29 7.927 -20.643 -1.543 1.00 3.33 H new ATOM 0 HB3 HIS A 29 8.972 -19.238 -1.484 1.00 3.33 H new ATOM 0 HD2 HIS A 29 7.528 -20.706 0.980 1.00 64.24 H new ATOM 0 HE1 HIS A 29 5.422 -17.138 1.575 1.00 42.23 H new ATOM 0 HE2 HIS A 29 6.163 -19.334 2.623 1.00 31.03 H new ATOM 458 N PHE A 30 5.825 -20.802 -3.661 1.00 31.00 N ATOM 459 CA PHE A 30 4.534 -21.311 -4.134 1.00 72.21 C ATOM 460 C PHE A 30 3.471 -21.302 -3.032 1.00 5.42 C ATOM 461 O PHE A 30 2.277 -21.312 -3.316 1.00 14.42 O ATOM 462 CB PHE A 30 4.706 -22.729 -4.692 1.00 3.44 C ATOM 463 CG PHE A 30 3.629 -23.142 -5.658 1.00 34.01 C ATOM 464 CD1 PHE A 30 3.652 -22.692 -6.970 1.00 31.33 C ATOM 465 CD2 PHE A 30 2.602 -23.982 -5.260 1.00 52.20 C ATOM 466 CE1 PHE A 30 2.671 -23.072 -7.865 1.00 5.52 C ATOM 467 CE2 PHE A 30 1.616 -24.365 -6.151 1.00 51.44 C ATOM 468 CZ PHE A 30 1.650 -23.909 -7.456 1.00 12.34 C ATOM 0 H PHE A 30 6.585 -21.479 -3.722 1.00 31.00 H new ATOM 0 HA PHE A 30 4.186 -20.645 -4.924 1.00 72.21 H new ATOM 0 HB2 PHE A 30 5.673 -22.797 -5.191 1.00 3.44 H new ATOM 0 HB3 PHE A 30 4.725 -23.435 -3.862 1.00 3.44 H new ATOM 0 HD1 PHE A 30 4.446 -22.037 -7.295 1.00 31.33 H new ATOM 0 HD2 PHE A 30 2.571 -24.342 -4.242 1.00 52.20 H new ATOM 0 HE1 PHE A 30 2.702 -22.715 -8.884 1.00 5.52 H new ATOM 0 HE2 PHE A 30 0.820 -25.020 -5.828 1.00 51.44 H new ATOM 0 HZ PHE A 30 0.881 -24.206 -8.154 1.00 12.34 H new ATOM 478 N SER A 31 3.908 -21.269 -1.778 1.00 31.52 N ATOM 479 CA SER A 31 2.992 -21.230 -0.641 1.00 31.24 C ATOM 480 C SER A 31 2.164 -19.936 -0.636 1.00 41.34 C ATOM 481 O SER A 31 1.092 -19.873 -0.035 1.00 51.41 O ATOM 482 CB SER A 31 3.791 -21.360 0.664 1.00 0.10 C ATOM 483 OG SER A 31 2.946 -21.410 1.801 1.00 52.43 O ATOM 0 H SER A 31 4.895 -21.268 -1.521 1.00 31.52 H new ATOM 0 HA SER A 31 2.297 -22.065 -0.726 1.00 31.24 H new ATOM 0 HB2 SER A 31 4.402 -22.262 0.627 1.00 0.10 H new ATOM 0 HB3 SER A 31 4.474 -20.516 0.757 1.00 0.10 H new ATOM 0 HG SER A 31 3.492 -21.494 2.611 1.00 52.43 H new ATOM 489 N ALA A 32 2.652 -18.919 -1.336 1.00 1.30 N ATOM 490 CA ALA A 32 2.009 -17.608 -1.339 1.00 51.25 C ATOM 491 C ALA A 32 1.012 -17.470 -2.482 1.00 3.32 C ATOM 492 O ALA A 32 0.236 -16.507 -2.536 1.00 45.10 O ATOM 493 CB ALA A 32 3.060 -16.522 -1.448 1.00 72.32 C ATOM 0 H ALA A 32 3.493 -18.976 -1.911 1.00 1.30 H new ATOM 0 HA ALA A 32 1.462 -17.505 -0.402 1.00 51.25 H new ATOM 0 HB1 ALA A 32 2.575 -15.546 -1.450 1.00 72.32 H new ATOM 0 HB2 ALA A 32 3.741 -16.588 -0.599 1.00 72.32 H new ATOM 0 HB3 ALA A 32 3.621 -16.650 -2.374 1.00 72.32 H new ATOM 499 N ILE A 33 1.039 -18.431 -3.393 1.00 52.33 N ATOM 500 CA ILE A 33 0.228 -18.367 -4.598 1.00 53.35 C ATOM 501 C ILE A 33 -1.202 -18.807 -4.308 1.00 74.13 C ATOM 502 O ILE A 33 -1.428 -19.766 -3.569 1.00 4.35 O ATOM 503 CB ILE A 33 0.812 -19.260 -5.718 1.00 1.35 C ATOM 504 CG1 ILE A 33 2.318 -19.011 -5.889 1.00 74.34 C ATOM 505 CG2 ILE A 33 0.083 -19.008 -7.032 1.00 22.34 C ATOM 506 CD1 ILE A 33 2.669 -17.599 -6.306 1.00 42.35 C ATOM 0 H ILE A 33 1.617 -19.268 -3.319 1.00 52.33 H new ATOM 0 HA ILE A 33 0.231 -17.330 -4.934 1.00 53.35 H new ATOM 0 HB ILE A 33 0.669 -20.302 -5.431 1.00 1.35 H new ATOM 0 HG12 ILE A 33 2.821 -19.236 -4.949 1.00 74.34 H new ATOM 0 HG13 ILE A 33 2.708 -19.705 -6.633 1.00 74.34 H new ATOM 0 HG21 ILE A 33 0.505 -19.644 -7.810 1.00 22.34 H new ATOM 0 HG22 ILE A 33 -0.976 -19.238 -6.911 1.00 22.34 H new ATOM 0 HG23 ILE A 33 0.197 -17.962 -7.317 1.00 22.34 H new ATOM 0 HD11 ILE A 33 3.751 -17.507 -6.405 1.00 42.35 H new ATOM 0 HD12 ILE A 33 2.197 -17.374 -7.262 1.00 42.35 H new ATOM 0 HD13 ILE A 33 2.312 -16.898 -5.552 1.00 42.35 H new ATOM 518 N GLN A 34 -2.163 -18.083 -4.861 1.00 72.12 N ATOM 519 CA GLN A 34 -3.559 -18.483 -4.787 1.00 20.13 C ATOM 520 C GLN A 34 -4.039 -18.877 -6.175 1.00 43.35 C ATOM 521 O GLN A 34 -3.261 -18.871 -7.130 1.00 75.05 O ATOM 522 CB GLN A 34 -4.437 -17.356 -4.228 1.00 40.55 C ATOM 523 CG GLN A 34 -4.495 -16.123 -5.117 1.00 64.51 C ATOM 524 CD GLN A 34 -5.695 -15.244 -4.823 1.00 64.41 C ATOM 525 OE1 GLN A 34 -6.751 -15.727 -4.400 1.00 1.04 O ATOM 526 NE2 GLN A 34 -5.545 -13.951 -5.048 1.00 31.42 N ATOM 0 H GLN A 34 -2.000 -17.213 -5.367 1.00 72.12 H new ATOM 0 HA GLN A 34 -3.641 -19.332 -4.109 1.00 20.13 H new ATOM 0 HB2 GLN A 34 -5.449 -17.735 -4.082 1.00 40.55 H new ATOM 0 HB3 GLN A 34 -4.060 -17.067 -3.247 1.00 40.55 H new ATOM 0 HG2 GLN A 34 -3.583 -15.541 -4.984 1.00 64.51 H new ATOM 0 HG3 GLN A 34 -4.525 -16.434 -6.161 1.00 64.51 H new ATOM 0 HE21 GLN A 34 -4.656 -13.594 -5.397 1.00 31.42 H new ATOM 0 HE22 GLN A 34 -6.318 -13.310 -4.872 1.00 31.42 H new ATOM 535 N GLY A 35 -5.310 -19.208 -6.296 1.00 15.12 N ATOM 536 CA GLY A 35 -5.840 -19.567 -7.588 1.00 55.33 C ATOM 537 C GLY A 35 -6.472 -18.384 -8.284 1.00 4.15 C ATOM 538 O GLY A 35 -7.672 -18.141 -8.147 1.00 24.22 O ATOM 0 H GLY A 35 -5.981 -19.235 -5.528 1.00 15.12 H new ATOM 0 HA2 GLY A 35 -5.040 -19.970 -8.210 1.00 55.33 H new ATOM 0 HA3 GLY A 35 -6.581 -20.358 -7.470 1.00 55.33 H new ATOM 542 N ASP A 36 -5.665 -17.650 -9.036 1.00 55.10 N ATOM 543 CA ASP A 36 -6.152 -16.505 -9.794 1.00 45.23 C ATOM 544 C ASP A 36 -6.053 -16.813 -11.279 1.00 43.22 C ATOM 545 O ASP A 36 -5.103 -16.409 -11.954 1.00 14.54 O ATOM 546 CB ASP A 36 -5.353 -15.241 -9.453 1.00 11.11 C ATOM 547 CG ASP A 36 -5.923 -13.994 -10.106 1.00 2.13 C ATOM 548 OD1 ASP A 36 -5.550 -13.687 -11.261 1.00 13.40 O ATOM 549 OD2 ASP A 36 -6.744 -13.309 -9.463 1.00 14.50 O ATOM 0 H ASP A 36 -4.666 -17.827 -9.138 1.00 55.10 H new ATOM 0 HA ASP A 36 -7.193 -16.319 -9.529 1.00 45.23 H new ATOM 0 HB2 ASP A 36 -5.339 -15.106 -8.372 1.00 11.11 H new ATOM 0 HB3 ASP A 36 -4.319 -15.373 -9.771 1.00 11.11 H new ATOM 554 N GLY A 37 -7.018 -17.573 -11.776 1.00 15.04 N ATOM 555 CA GLY A 37 -6.941 -18.078 -13.132 1.00 0.13 C ATOM 556 C GLY A 37 -5.979 -19.248 -13.230 1.00 54.31 C ATOM 557 O GLY A 37 -6.348 -20.338 -13.666 1.00 21.52 O ATOM 0 H GLY A 37 -7.855 -17.850 -11.263 1.00 15.04 H new ATOM 0 HA2 GLY A 37 -7.932 -18.390 -13.463 1.00 0.13 H new ATOM 0 HA3 GLY A 37 -6.617 -17.281 -13.802 1.00 0.13 H new ATOM 561 N PHE A 38 -4.745 -19.016 -12.804 1.00 14.32 N ATOM 562 CA PHE A 38 -3.720 -20.045 -12.768 1.00 44.42 C ATOM 563 C PHE A 38 -3.006 -19.998 -11.422 1.00 33.42 C ATOM 564 O PHE A 38 -3.187 -19.052 -10.652 1.00 14.15 O ATOM 565 CB PHE A 38 -2.696 -19.837 -13.892 1.00 53.34 C ATOM 566 CG PHE A 38 -3.295 -19.739 -15.267 1.00 33.22 C ATOM 567 CD1 PHE A 38 -3.694 -20.878 -15.947 1.00 32.11 C ATOM 568 CD2 PHE A 38 -3.454 -18.506 -15.879 1.00 14.31 C ATOM 569 CE1 PHE A 38 -4.242 -20.786 -17.213 1.00 25.21 C ATOM 570 CE2 PHE A 38 -4.000 -18.410 -17.143 1.00 31.32 C ATOM 571 CZ PHE A 38 -4.395 -19.551 -17.811 1.00 53.32 C ATOM 0 H PHE A 38 -4.428 -18.105 -12.473 1.00 14.32 H new ATOM 0 HA PHE A 38 -4.197 -21.015 -12.908 1.00 44.42 H new ATOM 0 HB2 PHE A 38 -2.132 -18.927 -13.689 1.00 53.34 H new ATOM 0 HB3 PHE A 38 -1.985 -20.663 -13.877 1.00 53.34 H new ATOM 0 HD1 PHE A 38 -3.576 -21.847 -15.484 1.00 32.11 H new ATOM 0 HD2 PHE A 38 -3.147 -17.610 -15.361 1.00 14.31 H new ATOM 0 HE1 PHE A 38 -4.550 -21.680 -17.734 1.00 25.21 H new ATOM 0 HE2 PHE A 38 -4.118 -17.443 -17.609 1.00 31.32 H new ATOM 0 HZ PHE A 38 -4.823 -19.478 -18.800 1.00 53.32 H new ATOM 581 N LYS A 39 -2.204 -21.013 -11.134 1.00 13.41 N ATOM 582 CA LYS A 39 -1.364 -21.000 -9.942 1.00 62.42 C ATOM 583 C LYS A 39 0.085 -20.744 -10.337 1.00 23.14 C ATOM 584 O LYS A 39 1.000 -20.834 -9.520 1.00 63.21 O ATOM 585 CB LYS A 39 -1.508 -22.298 -9.127 1.00 52.43 C ATOM 586 CG LYS A 39 -1.608 -23.574 -9.953 1.00 60.42 C ATOM 587 CD LYS A 39 -0.286 -23.958 -10.600 1.00 23.44 C ATOM 588 CE LYS A 39 -0.412 -25.257 -11.377 1.00 33.54 C ATOM 589 NZ LYS A 39 -1.440 -25.168 -12.447 1.00 23.42 N ATOM 0 H LYS A 39 -2.116 -21.853 -11.706 1.00 13.41 H new ATOM 0 HA LYS A 39 -1.697 -20.190 -9.294 1.00 62.42 H new ATOM 0 HB2 LYS A 39 -0.653 -22.384 -8.457 1.00 52.43 H new ATOM 0 HB3 LYS A 39 -2.397 -22.219 -8.501 1.00 52.43 H new ATOM 0 HG2 LYS A 39 -1.946 -24.390 -9.314 1.00 60.42 H new ATOM 0 HG3 LYS A 39 -2.363 -23.442 -10.728 1.00 60.42 H new ATOM 0 HD2 LYS A 39 0.040 -23.161 -11.269 1.00 23.44 H new ATOM 0 HD3 LYS A 39 0.481 -24.063 -9.832 1.00 23.44 H new ATOM 0 HE2 LYS A 39 0.551 -25.509 -11.820 1.00 33.54 H new ATOM 0 HE3 LYS A 39 -0.670 -26.065 -10.693 1.00 33.54 H new ATOM 0 HZ1 LYS A 39 -1.334 -25.972 -13.098 1.00 23.42 H new ATOM 0 HZ2 LYS A 39 -2.388 -25.190 -12.020 1.00 23.42 H new ATOM 0 HZ3 LYS A 39 -1.318 -24.279 -12.973 1.00 23.42 H new ATOM 603 N SER A 40 0.272 -20.426 -11.606 1.00 2.34 N ATOM 604 CA SER A 40 1.567 -20.030 -12.121 1.00 22.40 C ATOM 605 C SER A 40 1.524 -18.549 -12.490 1.00 33.20 C ATOM 606 O SER A 40 0.540 -18.079 -13.062 1.00 70.32 O ATOM 607 CB SER A 40 1.922 -20.873 -13.351 1.00 21.13 C ATOM 608 OG SER A 40 1.722 -22.257 -13.102 1.00 2.01 O ATOM 0 H SER A 40 -0.470 -20.436 -12.306 1.00 2.34 H new ATOM 0 HA SER A 40 2.330 -20.192 -11.360 1.00 22.40 H new ATOM 0 HB2 SER A 40 1.310 -20.561 -14.197 1.00 21.13 H new ATOM 0 HB3 SER A 40 2.962 -20.697 -13.627 1.00 21.13 H new ATOM 0 HG SER A 40 1.954 -22.771 -13.904 1.00 2.01 H new ATOM 614 N LEU A 41 2.579 -17.819 -12.168 1.00 60.43 N ATOM 615 CA LEU A 41 2.626 -16.393 -12.457 1.00 1.14 C ATOM 616 C LEU A 41 3.558 -16.137 -13.628 1.00 22.54 C ATOM 617 O LEU A 41 4.649 -16.701 -13.691 1.00 5.31 O ATOM 618 CB LEU A 41 3.103 -15.609 -11.233 1.00 34.54 C ATOM 619 CG LEU A 41 2.213 -15.714 -9.991 1.00 70.24 C ATOM 620 CD1 LEU A 41 2.810 -14.911 -8.846 1.00 63.21 C ATOM 621 CD2 LEU A 41 0.801 -15.234 -10.298 1.00 15.41 C ATOM 0 H LEU A 41 3.412 -18.187 -11.708 1.00 60.43 H new ATOM 0 HA LEU A 41 1.621 -16.057 -12.713 1.00 1.14 H new ATOM 0 HB2 LEU A 41 4.104 -15.953 -10.971 1.00 34.54 H new ATOM 0 HB3 LEU A 41 3.189 -14.558 -11.508 1.00 34.54 H new ATOM 0 HG LEU A 41 2.160 -16.761 -9.693 1.00 70.24 H new ATOM 0 HD11 LEU A 41 2.167 -14.994 -7.969 1.00 63.21 H new ATOM 0 HD12 LEU A 41 3.801 -15.298 -8.608 1.00 63.21 H new ATOM 0 HD13 LEU A 41 2.890 -13.864 -9.139 1.00 63.21 H new ATOM 0 HD21 LEU A 41 0.186 -15.317 -9.402 1.00 15.41 H new ATOM 0 HD22 LEU A 41 0.833 -14.194 -10.621 1.00 15.41 H new ATOM 0 HD23 LEU A 41 0.373 -15.847 -11.091 1.00 15.41 H new ATOM 633 N ASP A 42 3.125 -15.299 -14.556 1.00 54.33 N ATOM 634 CA ASP A 42 3.903 -15.041 -15.757 1.00 35.41 C ATOM 635 C ASP A 42 4.743 -13.779 -15.594 1.00 40.45 C ATOM 636 O ASP A 42 4.238 -12.705 -15.251 1.00 42.22 O ATOM 637 CB ASP A 42 2.997 -14.951 -16.997 1.00 22.45 C ATOM 638 CG ASP A 42 2.157 -13.686 -17.071 1.00 60.43 C ATOM 639 OD1 ASP A 42 1.053 -13.659 -16.482 1.00 21.31 O ATOM 640 OD2 ASP A 42 2.573 -12.732 -17.766 1.00 33.33 O ATOM 0 H ASP A 42 2.244 -14.788 -14.502 1.00 54.33 H new ATOM 0 HA ASP A 42 4.582 -15.881 -15.907 1.00 35.41 H new ATOM 0 HB2 ASP A 42 3.618 -15.013 -17.891 1.00 22.45 H new ATOM 0 HB3 ASP A 42 2.333 -15.815 -17.010 1.00 22.45 H new ATOM 645 N GLU A 43 6.041 -13.917 -15.815 1.00 24.21 N ATOM 646 CA GLU A 43 6.948 -12.796 -15.668 1.00 14.11 C ATOM 647 C GLU A 43 6.627 -11.710 -16.685 1.00 42.44 C ATOM 648 O GLU A 43 6.421 -11.984 -17.867 1.00 4.45 O ATOM 649 CB GLU A 43 8.419 -13.239 -15.753 1.00 14.34 C ATOM 650 CG GLU A 43 8.691 -14.458 -16.630 1.00 43.21 C ATOM 651 CD GLU A 43 8.412 -14.230 -18.100 1.00 34.13 C ATOM 652 OE1 GLU A 43 9.063 -13.352 -18.703 1.00 2.53 O ATOM 653 OE2 GLU A 43 7.563 -14.951 -18.662 1.00 25.33 O ATOM 0 H GLU A 43 6.486 -14.791 -16.095 1.00 24.21 H new ATOM 0 HA GLU A 43 6.804 -12.376 -14.672 1.00 14.11 H new ATOM 0 HB2 GLU A 43 9.010 -12.404 -16.129 1.00 14.34 H new ATOM 0 HB3 GLU A 43 8.774 -13.452 -14.745 1.00 14.34 H new ATOM 0 HG2 GLU A 43 9.733 -14.755 -16.510 1.00 43.21 H new ATOM 0 HG3 GLU A 43 8.080 -15.290 -16.279 1.00 43.21 H new ATOM 660 N GLY A 44 6.557 -10.482 -16.205 1.00 32.41 N ATOM 661 CA GLY A 44 6.160 -9.379 -17.048 1.00 14.05 C ATOM 662 C GLY A 44 4.819 -8.803 -16.639 1.00 40.22 C ATOM 663 O GLY A 44 4.459 -7.702 -17.055 1.00 54.03 O ATOM 0 H GLY A 44 6.769 -10.228 -15.240 1.00 32.41 H new ATOM 0 HA2 GLY A 44 6.919 -8.598 -17.003 1.00 14.05 H new ATOM 0 HA3 GLY A 44 6.109 -9.715 -18.084 1.00 14.05 H new ATOM 667 N GLN A 45 4.068 -9.547 -15.827 1.00 14.02 N ATOM 668 CA GLN A 45 2.776 -9.064 -15.347 1.00 52.34 C ATOM 669 C GLN A 45 2.952 -8.181 -14.115 1.00 11.15 C ATOM 670 O GLN A 45 3.915 -8.338 -13.354 1.00 54.01 O ATOM 671 CB GLN A 45 1.840 -10.231 -15.012 1.00 50.33 C ATOM 672 CG GLN A 45 2.242 -11.004 -13.766 1.00 54.20 C ATOM 673 CD GLN A 45 1.317 -12.167 -13.466 1.00 51.33 C ATOM 674 OE1 GLN A 45 1.733 -13.176 -12.906 1.00 50.13 O ATOM 675 NE2 GLN A 45 0.053 -12.028 -13.827 1.00 23.03 N ATOM 0 H GLN A 45 4.328 -10.475 -15.492 1.00 14.02 H new ATOM 0 HA GLN A 45 2.329 -8.475 -16.148 1.00 52.34 H new ATOM 0 HB2 GLN A 45 0.829 -9.846 -14.879 1.00 50.33 H new ATOM 0 HB3 GLN A 45 1.811 -10.916 -15.859 1.00 50.33 H new ATOM 0 HG2 GLN A 45 3.258 -11.378 -13.889 1.00 54.20 H new ATOM 0 HG3 GLN A 45 2.253 -10.326 -12.912 1.00 54.20 H new ATOM 0 HE21 GLN A 45 -0.254 -11.173 -14.291 1.00 23.03 H new ATOM 0 HE22 GLN A 45 -0.615 -12.776 -13.642 1.00 23.03 H new ATOM 684 N ALA A 46 2.024 -7.254 -13.927 1.00 52.43 N ATOM 685 CA ALA A 46 2.022 -6.399 -12.752 1.00 63.14 C ATOM 686 C ALA A 46 1.080 -6.963 -11.700 1.00 65.44 C ATOM 687 O ALA A 46 -0.102 -7.171 -11.965 1.00 42.32 O ATOM 688 CB ALA A 46 1.613 -4.982 -13.123 1.00 15.22 C ATOM 0 H ALA A 46 1.259 -7.075 -14.578 1.00 52.43 H new ATOM 0 HA ALA A 46 3.031 -6.368 -12.342 1.00 63.14 H new ATOM 0 HB1 ALA A 46 1.617 -4.357 -12.230 1.00 15.22 H new ATOM 0 HB2 ALA A 46 2.316 -4.579 -13.852 1.00 15.22 H new ATOM 0 HB3 ALA A 46 0.612 -4.993 -13.553 1.00 15.22 H new ATOM 694 N VAL A 47 1.605 -7.211 -10.513 1.00 4.23 N ATOM 695 CA VAL A 47 0.825 -7.817 -9.444 1.00 11.22 C ATOM 696 C VAL A 47 1.131 -7.163 -8.105 1.00 21.44 C ATOM 697 O VAL A 47 2.040 -6.336 -7.999 1.00 4.15 O ATOM 698 CB VAL A 47 1.088 -9.335 -9.336 1.00 61.31 C ATOM 699 CG1 VAL A 47 0.421 -10.084 -10.479 1.00 62.13 C ATOM 700 CG2 VAL A 47 2.582 -9.618 -9.313 1.00 61.21 C ATOM 0 H VAL A 47 2.571 -7.002 -10.263 1.00 4.23 H new ATOM 0 HA VAL A 47 -0.224 -7.659 -9.693 1.00 11.22 H new ATOM 0 HB VAL A 47 0.655 -9.688 -8.400 1.00 61.31 H new ATOM 0 HG11 VAL A 47 0.621 -11.151 -10.381 1.00 62.13 H new ATOM 0 HG12 VAL A 47 -0.655 -9.912 -10.448 1.00 62.13 H new ATOM 0 HG13 VAL A 47 0.818 -9.727 -11.429 1.00 62.13 H new ATOM 0 HG21 VAL A 47 2.748 -10.693 -9.237 1.00 61.21 H new ATOM 0 HG22 VAL A 47 3.037 -9.245 -10.231 1.00 61.21 H new ATOM 0 HG23 VAL A 47 3.034 -9.119 -8.455 1.00 61.21 H new ATOM 710 N THR A 48 0.369 -7.539 -7.096 1.00 0.53 N ATOM 711 CA THR A 48 0.545 -7.012 -5.760 1.00 71.34 C ATOM 712 C THR A 48 0.767 -8.160 -4.778 1.00 4.30 C ATOM 713 O THR A 48 0.215 -9.244 -4.944 1.00 3.51 O ATOM 714 CB THR A 48 -0.687 -6.185 -5.332 1.00 22.34 C ATOM 715 OG1 THR A 48 -1.011 -5.235 -6.358 1.00 44.32 O ATOM 716 CG2 THR A 48 -0.433 -5.446 -4.025 1.00 72.23 C ATOM 0 H THR A 48 -0.388 -8.217 -7.181 1.00 0.53 H new ATOM 0 HA THR A 48 1.417 -6.358 -5.757 1.00 71.34 H new ATOM 0 HB THR A 48 -1.519 -6.873 -5.182 1.00 22.34 H new ATOM 0 HG1 THR A 48 -1.794 -4.713 -6.085 1.00 44.32 H new ATOM 0 HG21 THR A 48 -1.320 -4.874 -3.752 1.00 72.23 H new ATOM 0 HG22 THR A 48 -0.209 -6.166 -3.238 1.00 72.23 H new ATOM 0 HG23 THR A 48 0.412 -4.769 -4.148 1.00 72.23 H new ATOM 724 N PHE A 49 1.591 -7.928 -3.773 1.00 33.33 N ATOM 725 CA PHE A 49 1.885 -8.945 -2.776 1.00 74.32 C ATOM 726 C PHE A 49 1.850 -8.357 -1.377 1.00 33.20 C ATOM 727 O PHE A 49 2.136 -7.174 -1.174 1.00 52.13 O ATOM 728 CB PHE A 49 3.277 -9.543 -3.007 1.00 31.44 C ATOM 729 CG PHE A 49 3.369 -10.520 -4.144 1.00 10.35 C ATOM 730 CD1 PHE A 49 3.596 -10.084 -5.439 1.00 52.22 C ATOM 731 CD2 PHE A 49 3.251 -11.878 -3.909 1.00 51.14 C ATOM 732 CE1 PHE A 49 3.700 -10.987 -6.477 1.00 21.34 C ATOM 733 CE2 PHE A 49 3.352 -12.784 -4.945 1.00 21.34 C ATOM 734 CZ PHE A 49 3.577 -12.339 -6.230 1.00 22.33 C ATOM 0 H PHE A 49 2.071 -7.041 -3.624 1.00 33.33 H new ATOM 0 HA PHE A 49 1.125 -9.720 -2.871 1.00 74.32 H new ATOM 0 HB2 PHE A 49 3.979 -8.730 -3.189 1.00 31.44 H new ATOM 0 HB3 PHE A 49 3.598 -10.042 -2.092 1.00 31.44 H new ATOM 0 HD1 PHE A 49 3.693 -9.027 -5.638 1.00 52.22 H new ATOM 0 HD2 PHE A 49 3.078 -12.233 -2.904 1.00 51.14 H new ATOM 0 HE1 PHE A 49 3.878 -10.636 -7.483 1.00 21.34 H new ATOM 0 HE2 PHE A 49 3.255 -13.842 -4.749 1.00 21.34 H new ATOM 0 HZ PHE A 49 3.657 -13.047 -7.042 1.00 22.33 H new ATOM 744 N ASP A 50 1.495 -9.180 -0.411 1.00 60.10 N ATOM 745 CA ASP A 50 1.689 -8.810 0.983 1.00 32.00 C ATOM 746 C ASP A 50 3.104 -9.213 1.394 1.00 15.13 C ATOM 747 O ASP A 50 3.666 -10.156 0.843 1.00 20.53 O ATOM 748 CB ASP A 50 0.648 -9.467 1.891 1.00 62.02 C ATOM 749 CG ASP A 50 0.734 -8.956 3.314 1.00 10.10 C ATOM 750 OD1 ASP A 50 1.205 -7.813 3.512 1.00 34.12 O ATOM 751 OD2 ASP A 50 0.346 -9.691 4.242 1.00 50.03 O ATOM 0 H ASP A 50 1.076 -10.098 -0.558 1.00 60.10 H new ATOM 0 HA ASP A 50 1.561 -7.733 1.091 1.00 32.00 H new ATOM 0 HB2 ASP A 50 -0.350 -9.275 1.497 1.00 62.02 H new ATOM 0 HB3 ASP A 50 0.791 -10.548 1.884 1.00 62.02 H new ATOM 756 N VAL A 51 3.690 -8.500 2.338 1.00 31.32 N ATOM 757 CA VAL A 51 5.101 -8.687 2.640 1.00 33.13 C ATOM 758 C VAL A 51 5.309 -9.403 3.973 1.00 64.33 C ATOM 759 O VAL A 51 4.652 -9.100 4.971 1.00 22.24 O ATOM 760 CB VAL A 51 5.857 -7.334 2.631 1.00 2.13 C ATOM 761 CG1 VAL A 51 5.300 -6.382 3.681 1.00 64.51 C ATOM 762 CG2 VAL A 51 7.352 -7.546 2.827 1.00 21.43 C ATOM 0 H VAL A 51 3.220 -7.794 2.904 1.00 31.32 H new ATOM 0 HA VAL A 51 5.513 -9.321 1.855 1.00 33.13 H new ATOM 0 HB VAL A 51 5.705 -6.875 1.654 1.00 2.13 H new ATOM 0 HG11 VAL A 51 5.851 -5.442 3.649 1.00 64.51 H new ATOM 0 HG12 VAL A 51 4.246 -6.192 3.477 1.00 64.51 H new ATOM 0 HG13 VAL A 51 5.403 -6.830 4.669 1.00 64.51 H new ATOM 0 HG21 VAL A 51 7.861 -6.582 2.817 1.00 21.43 H new ATOM 0 HG22 VAL A 51 7.527 -8.039 3.783 1.00 21.43 H new ATOM 0 HG23 VAL A 51 7.740 -8.169 2.021 1.00 21.43 H new ATOM 772 N GLU A 52 6.207 -10.380 3.962 1.00 43.31 N ATOM 773 CA GLU A 52 6.626 -11.062 5.176 1.00 42.42 C ATOM 774 C GLU A 52 8.136 -10.955 5.336 1.00 3.12 C ATOM 775 O GLU A 52 8.895 -11.339 4.444 1.00 71.41 O ATOM 776 CB GLU A 52 6.217 -12.537 5.156 1.00 45.01 C ATOM 777 CG GLU A 52 4.726 -12.772 5.329 1.00 63.33 C ATOM 778 CD GLU A 52 4.399 -14.240 5.496 1.00 70.13 C ATOM 779 OE1 GLU A 52 4.766 -14.820 6.537 1.00 64.52 O ATOM 780 OE2 GLU A 52 3.795 -14.832 4.585 1.00 73.23 O ATOM 0 H GLU A 52 6.662 -10.719 3.115 1.00 43.31 H new ATOM 0 HA GLU A 52 6.130 -10.581 6.019 1.00 42.42 H new ATOM 0 HB2 GLU A 52 6.536 -12.978 4.212 1.00 45.01 H new ATOM 0 HB3 GLU A 52 6.751 -13.061 5.949 1.00 45.01 H new ATOM 0 HG2 GLU A 52 4.371 -12.220 6.199 1.00 63.33 H new ATOM 0 HG3 GLU A 52 4.194 -12.378 4.463 1.00 63.33 H new ATOM 787 N GLU A 53 8.571 -10.421 6.461 1.00 61.35 N ATOM 788 CA GLU A 53 9.992 -10.305 6.741 1.00 61.03 C ATOM 789 C GLU A 53 10.482 -11.548 7.467 1.00 20.34 C ATOM 790 O GLU A 53 10.067 -11.831 8.596 1.00 65.10 O ATOM 791 CB GLU A 53 10.277 -9.048 7.560 1.00 11.12 C ATOM 792 CG GLU A 53 9.954 -7.766 6.813 1.00 45.35 C ATOM 793 CD GLU A 53 10.326 -6.526 7.596 1.00 70.54 C ATOM 794 OE1 GLU A 53 11.522 -6.170 7.616 1.00 43.30 O ATOM 795 OE2 GLU A 53 9.427 -5.890 8.177 1.00 43.14 O ATOM 0 H GLU A 53 7.963 -10.061 7.196 1.00 61.35 H new ATOM 0 HA GLU A 53 10.531 -10.220 5.797 1.00 61.03 H new ATOM 0 HB2 GLU A 53 9.695 -9.082 8.481 1.00 11.12 H new ATOM 0 HB3 GLU A 53 11.328 -9.039 7.848 1.00 11.12 H new ATOM 0 HG2 GLU A 53 10.484 -7.762 5.860 1.00 45.35 H new ATOM 0 HG3 GLU A 53 8.888 -7.741 6.585 1.00 45.35 H new ATOM 802 N GLY A 54 11.352 -12.296 6.806 1.00 22.35 N ATOM 803 CA GLY A 54 11.810 -13.555 7.349 1.00 73.33 C ATOM 804 C GLY A 54 13.295 -13.566 7.649 1.00 54.14 C ATOM 805 O GLY A 54 13.970 -12.535 7.566 1.00 3.11 O ATOM 0 H GLY A 54 11.750 -12.051 5.899 1.00 22.35 H new ATOM 0 HA2 GLY A 54 11.259 -13.772 8.264 1.00 73.33 H new ATOM 0 HA3 GLY A 54 11.582 -14.353 6.643 1.00 73.33 H new ATOM 809 N GLN A 55 13.805 -14.745 7.975 1.00 11.10 N ATOM 810 CA GLN A 55 15.200 -14.909 8.359 1.00 44.11 C ATOM 811 C GLN A 55 16.090 -15.045 7.130 1.00 64.13 C ATOM 812 O GLN A 55 17.302 -14.857 7.205 1.00 3.40 O ATOM 813 CB GLN A 55 15.347 -16.130 9.270 1.00 41.21 C ATOM 814 CG GLN A 55 14.854 -17.424 8.642 1.00 10.32 C ATOM 815 CD GLN A 55 14.709 -18.549 9.648 1.00 51.12 C ATOM 816 OE1 GLN A 55 15.436 -18.618 10.639 1.00 12.43 O ATOM 817 NE2 GLN A 55 13.762 -19.439 9.403 1.00 0.43 N ATOM 0 H GLN A 55 13.267 -15.611 7.981 1.00 11.10 H new ATOM 0 HA GLN A 55 15.519 -14.021 8.904 1.00 44.11 H new ATOM 0 HB2 GLN A 55 16.396 -16.245 9.542 1.00 41.21 H new ATOM 0 HB3 GLN A 55 14.796 -15.952 10.193 1.00 41.21 H new ATOM 0 HG2 GLN A 55 13.892 -17.246 8.162 1.00 10.32 H new ATOM 0 HG3 GLN A 55 15.548 -17.730 7.860 1.00 10.32 H new ATOM 0 HE21 GLN A 55 13.179 -19.348 8.571 1.00 0.43 H new ATOM 0 HE22 GLN A 55 13.614 -20.217 10.046 1.00 0.43 H new ATOM 826 N ARG A 56 15.483 -15.374 5.999 1.00 10.42 N ATOM 827 CA ARG A 56 16.215 -15.480 4.745 1.00 34.32 C ATOM 828 C ARG A 56 16.189 -14.145 4.013 1.00 43.11 C ATOM 829 O ARG A 56 17.172 -13.740 3.395 1.00 71.05 O ATOM 830 CB ARG A 56 15.607 -16.576 3.869 1.00 73.40 C ATOM 831 CG ARG A 56 15.757 -17.977 4.443 1.00 23.24 C ATOM 832 CD ARG A 56 17.102 -18.595 4.092 1.00 31.31 C ATOM 833 NE ARG A 56 18.241 -17.804 4.562 1.00 72.43 N ATOM 834 CZ ARG A 56 19.501 -18.238 4.551 1.00 55.40 C ATOM 835 NH1 ARG A 56 19.787 -19.466 4.129 1.00 31.41 N ATOM 836 NH2 ARG A 56 20.475 -17.441 4.963 1.00 72.54 N ATOM 0 H ARG A 56 14.485 -15.572 5.924 1.00 10.42 H new ATOM 0 HA ARG A 56 17.250 -15.743 4.962 1.00 34.32 H new ATOM 0 HB2 ARG A 56 14.548 -16.365 3.723 1.00 73.40 H new ATOM 0 HB3 ARG A 56 16.077 -16.544 2.886 1.00 73.40 H new ATOM 0 HG2 ARG A 56 15.647 -17.939 5.527 1.00 23.24 H new ATOM 0 HG3 ARG A 56 14.956 -18.612 4.064 1.00 23.24 H new ATOM 0 HD2 ARG A 56 17.159 -19.594 4.524 1.00 31.31 H new ATOM 0 HD3 ARG A 56 17.170 -18.711 3.010 1.00 31.31 H new ATOM 0 HE ARG A 56 18.059 -16.866 4.919 1.00 72.43 H new ATOM 0 HH11 ARG A 56 19.040 -20.083 3.811 1.00 31.41 H new ATOM 0 HH12 ARG A 56 20.754 -19.791 4.123 1.00 31.41 H new ATOM 0 HH21 ARG A 56 20.260 -16.498 5.287 1.00 72.54 H new ATOM 0 HH22 ARG A 56 21.440 -17.770 4.956 1.00 72.54 H new ATOM 850 N GLY A 57 15.055 -13.471 4.097 1.00 12.53 N ATOM 851 CA GLY A 57 14.896 -12.181 3.465 1.00 31.54 C ATOM 852 C GLY A 57 13.433 -11.811 3.332 1.00 5.30 C ATOM 853 O GLY A 57 12.572 -12.496 3.892 1.00 54.35 O ATOM 0 H GLY A 57 14.231 -13.800 4.599 1.00 12.53 H new ATOM 0 HA2 GLY A 57 15.414 -11.421 4.050 1.00 31.54 H new ATOM 0 HA3 GLY A 57 15.361 -12.197 2.479 1.00 31.54 H new ATOM 857 N PRO A 58 13.115 -10.741 2.592 1.00 20.11 N ATOM 858 CA PRO A 58 11.729 -10.328 2.366 1.00 43.34 C ATOM 859 C PRO A 58 10.987 -11.300 1.453 1.00 34.41 C ATOM 860 O PRO A 58 11.330 -11.453 0.277 1.00 60.13 O ATOM 861 CB PRO A 58 11.867 -8.957 1.702 1.00 54.00 C ATOM 862 CG PRO A 58 13.208 -8.980 1.053 1.00 74.14 C ATOM 863 CD PRO A 58 14.077 -9.849 1.921 1.00 32.50 C ATOM 0 HA PRO A 58 11.150 -10.304 3.289 1.00 43.34 H new ATOM 0 HB2 PRO A 58 11.076 -8.791 0.970 1.00 54.00 H new ATOM 0 HB3 PRO A 58 11.796 -8.154 2.435 1.00 54.00 H new ATOM 0 HG2 PRO A 58 13.144 -9.380 0.041 1.00 74.14 H new ATOM 0 HG3 PRO A 58 13.619 -7.974 0.973 1.00 74.14 H new ATOM 0 HD2 PRO A 58 14.800 -10.411 1.330 1.00 32.50 H new ATOM 0 HD3 PRO A 58 14.644 -9.258 2.640 1.00 32.50 H new ATOM 871 N GLN A 59 9.986 -11.969 2.002 1.00 71.23 N ATOM 872 CA GLN A 59 9.186 -12.910 1.237 1.00 1.40 C ATOM 873 C GLN A 59 7.923 -12.240 0.726 1.00 72.12 C ATOM 874 O GLN A 59 7.272 -11.483 1.451 1.00 61.42 O ATOM 875 CB GLN A 59 8.803 -14.129 2.083 1.00 11.25 C ATOM 876 CG GLN A 59 9.979 -14.991 2.500 1.00 71.32 C ATOM 877 CD GLN A 59 9.544 -16.256 3.216 1.00 73.24 C ATOM 878 OE1 GLN A 59 8.472 -16.804 2.952 1.00 14.22 O ATOM 879 NE2 GLN A 59 10.374 -16.729 4.130 1.00 21.50 N ATOM 0 H GLN A 59 9.708 -11.877 2.979 1.00 71.23 H new ATOM 0 HA GLN A 59 9.790 -13.244 0.393 1.00 1.40 H new ATOM 0 HB2 GLN A 59 8.282 -13.787 2.978 1.00 11.25 H new ATOM 0 HB3 GLN A 59 8.100 -14.742 1.519 1.00 11.25 H new ATOM 0 HG2 GLN A 59 10.561 -15.258 1.618 1.00 71.32 H new ATOM 0 HG3 GLN A 59 10.635 -14.415 3.152 1.00 71.32 H new ATOM 0 HE21 GLN A 59 11.252 -16.246 4.320 1.00 21.50 H new ATOM 0 HE22 GLN A 59 10.136 -17.576 4.645 1.00 21.50 H new ATOM 888 N ALA A 60 7.592 -12.510 -0.524 1.00 32.44 N ATOM 889 CA ALA A 60 6.351 -12.043 -1.099 1.00 73.10 C ATOM 890 C ALA A 60 5.269 -13.079 -0.847 1.00 25.34 C ATOM 891 O ALA A 60 5.353 -14.212 -1.331 1.00 44.12 O ATOM 892 CB ALA A 60 6.517 -11.781 -2.589 1.00 62.42 C ATOM 0 H ALA A 60 8.173 -13.055 -1.162 1.00 32.44 H new ATOM 0 HA ALA A 60 6.063 -11.102 -0.630 1.00 73.10 H new ATOM 0 HB1 ALA A 60 5.572 -11.430 -3.004 1.00 62.42 H new ATOM 0 HB2 ALA A 60 7.285 -11.022 -2.742 1.00 62.42 H new ATOM 0 HB3 ALA A 60 6.813 -12.703 -3.090 1.00 62.42 H new ATOM 898 N ALA A 61 4.278 -12.701 -0.064 1.00 52.54 N ATOM 899 CA ALA A 61 3.200 -13.600 0.290 1.00 4.15 C ATOM 900 C ALA A 61 1.870 -13.016 -0.142 1.00 34.10 C ATOM 901 O ALA A 61 1.793 -11.830 -0.421 1.00 33.23 O ATOM 902 CB ALA A 61 3.201 -13.856 1.782 1.00 41.43 C ATOM 0 H ALA A 61 4.198 -11.769 0.342 1.00 52.54 H new ATOM 0 HA ALA A 61 3.350 -14.548 -0.226 1.00 4.15 H new ATOM 0 HB1 ALA A 61 2.386 -14.533 2.035 1.00 41.43 H new ATOM 0 HB2 ALA A 61 4.150 -14.306 2.073 1.00 41.43 H new ATOM 0 HB3 ALA A 61 3.068 -12.913 2.313 1.00 41.43 H new ATOM 908 N ASN A 62 0.829 -13.845 -0.170 1.00 1.31 N ATOM 909 CA ASN A 62 -0.513 -13.413 -0.568 1.00 3.43 C ATOM 910 C ASN A 62 -0.484 -12.695 -1.910 1.00 53.41 C ATOM 911 O ASN A 62 -0.284 -11.471 -1.971 1.00 33.12 O ATOM 912 CB ASN A 62 -1.145 -12.491 0.481 1.00 1.22 C ATOM 913 CG ASN A 62 -1.160 -13.100 1.864 1.00 33.03 C ATOM 914 OD1 ASN A 62 -0.105 -12.850 2.617 1.00 51.01 O flip ATOM 915 ND2 ASN A 62 -2.110 -13.780 2.252 1.00 61.04 N flip ATOM 0 H ASN A 62 0.889 -14.832 0.081 1.00 1.31 H new ATOM 0 HA ASN A 62 -1.119 -14.315 -0.654 1.00 3.43 H new ATOM 0 HB2 ASN A 62 -0.595 -11.550 0.509 1.00 1.22 H new ATOM 0 HB3 ASN A 62 -2.166 -12.255 0.182 1.00 1.22 H new ATOM 0 HD21 ASN A 62 -2.904 -13.946 1.634 1.00 61.04 H new ATOM 0 HD22 ASN A 62 -2.103 -14.177 3.192 1.00 61.04 H new ATOM 922 N VAL A 63 -0.656 -13.463 -2.979 1.00 70.13 N ATOM 923 CA VAL A 63 -0.676 -12.898 -4.319 1.00 35.15 C ATOM 924 C VAL A 63 -1.997 -12.183 -4.600 1.00 24.23 C ATOM 925 O VAL A 63 -3.049 -12.814 -4.680 1.00 41.53 O ATOM 926 CB VAL A 63 -0.468 -13.980 -5.404 1.00 33.12 C ATOM 927 CG1 VAL A 63 -0.396 -13.353 -6.792 1.00 54.22 C ATOM 928 CG2 VAL A 63 0.776 -14.800 -5.117 1.00 34.10 C ATOM 0 H VAL A 63 -0.783 -14.474 -2.943 1.00 70.13 H new ATOM 0 HA VAL A 63 0.147 -12.185 -4.360 1.00 35.15 H new ATOM 0 HB VAL A 63 -1.328 -14.650 -5.381 1.00 33.12 H new ATOM 0 HG11 VAL A 63 -0.249 -14.135 -7.537 1.00 54.22 H new ATOM 0 HG12 VAL A 63 -1.325 -12.823 -7.000 1.00 54.22 H new ATOM 0 HG13 VAL A 63 0.438 -12.653 -6.832 1.00 54.22 H new ATOM 0 HG21 VAL A 63 0.902 -15.555 -5.894 1.00 34.10 H new ATOM 0 HG22 VAL A 63 1.648 -14.146 -5.102 1.00 34.10 H new ATOM 0 HG23 VAL A 63 0.674 -15.290 -4.149 1.00 34.10 H new ATOM 938 N GLN A 64 -1.930 -10.871 -4.750 1.00 33.10 N ATOM 939 CA GLN A 64 -3.092 -10.078 -5.118 1.00 1.55 C ATOM 940 C GLN A 64 -2.959 -9.635 -6.574 1.00 62.22 C ATOM 941 O GLN A 64 -1.882 -9.222 -7.007 1.00 24.40 O ATOM 942 CB GLN A 64 -3.216 -8.861 -4.194 1.00 21.52 C ATOM 943 CG GLN A 64 -4.461 -8.024 -4.440 1.00 5.44 C ATOM 944 CD GLN A 64 -4.543 -6.828 -3.511 1.00 61.23 C ATOM 945 OE1 GLN A 64 -4.035 -5.752 -3.823 1.00 30.35 O ATOM 946 NE2 GLN A 64 -5.185 -7.005 -2.367 1.00 41.23 N ATOM 0 H GLN A 64 -1.076 -10.328 -4.621 1.00 33.10 H new ATOM 0 HA GLN A 64 -3.994 -10.681 -5.009 1.00 1.55 H new ATOM 0 HB2 GLN A 64 -3.218 -9.202 -3.159 1.00 21.52 H new ATOM 0 HB3 GLN A 64 -2.336 -8.231 -4.320 1.00 21.52 H new ATOM 0 HG2 GLN A 64 -4.466 -7.679 -5.474 1.00 5.44 H new ATOM 0 HG3 GLN A 64 -5.346 -8.646 -4.307 1.00 5.44 H new ATOM 0 HE21 GLN A 64 -5.592 -7.914 -2.146 1.00 41.23 H new ATOM 0 HE22 GLN A 64 -5.272 -6.233 -1.706 1.00 41.23 H new ATOM 955 N LYS A 65 -4.039 -9.738 -7.334 1.00 72.22 N ATOM 956 CA LYS A 65 -3.993 -9.413 -8.749 1.00 1.11 C ATOM 957 C LYS A 65 -4.235 -7.920 -8.963 1.00 34.15 C ATOM 958 O LYS A 65 -4.951 -7.284 -8.188 1.00 53.24 O ATOM 959 CB LYS A 65 -5.032 -10.235 -9.514 1.00 71.44 C ATOM 960 CG LYS A 65 -4.634 -10.514 -10.952 1.00 23.45 C ATOM 961 CD LYS A 65 -3.322 -11.282 -11.007 1.00 63.33 C ATOM 962 CE LYS A 65 -2.953 -11.686 -12.424 1.00 41.01 C ATOM 963 NZ LYS A 65 -3.992 -12.540 -13.057 1.00 0.12 N ATOM 0 H LYS A 65 -4.952 -10.042 -6.996 1.00 72.22 H new ATOM 0 HA LYS A 65 -3.002 -9.660 -9.130 1.00 1.11 H new ATOM 0 HB2 LYS A 65 -5.189 -11.182 -8.997 1.00 71.44 H new ATOM 0 HB3 LYS A 65 -5.984 -9.705 -9.504 1.00 71.44 H new ATOM 0 HG2 LYS A 65 -5.418 -11.087 -11.447 1.00 23.45 H new ATOM 0 HG3 LYS A 65 -4.534 -9.575 -11.496 1.00 23.45 H new ATOM 0 HD2 LYS A 65 -2.525 -10.668 -10.587 1.00 63.33 H new ATOM 0 HD3 LYS A 65 -3.399 -12.174 -10.385 1.00 63.33 H new ATOM 0 HE2 LYS A 65 -2.805 -10.791 -13.028 1.00 41.01 H new ATOM 0 HE3 LYS A 65 -2.004 -12.222 -12.411 1.00 41.01 H new ATOM 0 HZ1 LYS A 65 -3.571 -13.074 -13.844 1.00 0.12 H new ATOM 0 HZ2 LYS A 65 -4.372 -13.204 -12.353 1.00 0.12 H new ATOM 0 HZ3 LYS A 65 -4.761 -11.941 -13.418 1.00 0.12 H new ATOM 977 N ALA A 66 -3.628 -7.370 -10.005 1.00 54.10 N ATOM 978 CA ALA A 66 -3.784 -5.963 -10.334 1.00 11.30 C ATOM 979 C ALA A 66 -4.395 -5.815 -11.724 1.00 74.13 C ATOM 980 O ALA A 66 -5.618 -5.581 -11.819 1.00 62.51 O ATOM 981 CB ALA A 66 -2.440 -5.251 -10.251 1.00 60.12 C ATOM 982 OXT ALA A 66 -3.659 -5.983 -12.718 1.00 0.00 O ATOM 0 H ALA A 66 -3.018 -7.883 -10.641 1.00 54.10 H new ATOM 0 HA ALA A 66 -4.458 -5.501 -9.613 1.00 11.30 H new ATOM 0 HB1 ALA A 66 -2.570 -4.198 -10.500 1.00 60.12 H new ATOM 0 HB2 ALA A 66 -2.044 -5.339 -9.239 1.00 60.12 H new ATOM 0 HB3 ALA A 66 -1.743 -5.706 -10.954 1.00 60.12 H new