USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 622 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 Set 1.1: A 5 GLN : amide:sc= -1.55 K(o=-1.4,f=-4.7!) USER MOD Set 1.2: A 72 THR OG1 : rot -120:sc= 0.131 USER MOD Single : A 3 GLN : amide:sc= -3.22! K(o=-3.2!,f=-0.52) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 130:sc= 0.886 USER MOD Single : A 10 SER OG : rot 180:sc= -0.0125 USER MOD Single : A 12 ASN : amide:sc= 0.212 K(o=0.21,f=-6.6!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0673 USER MOD Single : A 36 THR OG1 : rot 180:sc= -1.41! USER MOD Single : A 38 ASN : amide:sc= -0.461 X(o=-0.46,f=-0.5) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 44 THR OG1 : rot 170:sc= -0.294 USER MOD Single : A 47 SER OG : rot -111:sc= 0.418 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.0073) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0.0266 X(o=0.027,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0.00675 X(o=0.0068,f=-0.072) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N GLN A 3 0.345 8.052 -13.804 1.00 31.11 N ATOM 28 CA GLN A 3 -0.259 7.090 -12.868 1.00 31.30 C ATOM 29 C GLN A 3 0.654 6.949 -11.641 1.00 41.43 C ATOM 30 O GLN A 3 1.847 6.680 -11.782 1.00 3.42 O ATOM 31 CB GLN A 3 -0.450 5.714 -13.558 1.00 33.11 C ATOM 32 CG GLN A 3 -1.110 4.641 -12.660 1.00 34.14 C ATOM 33 CD GLN A 3 -1.154 3.251 -13.294 1.00 4.11 C ATOM 34 OE1 GLN A 3 -1.223 3.097 -14.515 1.00 25.12 O ATOM 35 NE2 GLN A 3 -1.112 2.229 -12.467 1.00 73.41 N ATOM 0 HA GLN A 3 -1.238 7.451 -12.555 1.00 31.30 H new ATOM 0 HB2 GLN A 3 -1.060 5.849 -14.451 1.00 33.11 H new ATOM 0 HB3 GLN A 3 0.522 5.348 -13.888 1.00 33.11 H new ATOM 0 HG2 GLN A 3 -0.565 4.584 -11.718 1.00 34.14 H new ATOM 0 HG3 GLN A 3 -2.127 4.954 -12.422 1.00 34.14 H new ATOM 0 HE21 GLN A 3 -1.055 2.389 -11.461 1.00 73.41 H new ATOM 0 HE22 GLN A 3 -1.136 1.277 -12.831 1.00 73.41 H new ATOM 44 N TRP A 4 0.087 7.127 -10.452 1.00 14.52 N ATOM 45 CA TRP A 4 0.834 7.057 -9.190 1.00 4.34 C ATOM 46 C TRP A 4 0.915 5.597 -8.705 1.00 41.30 C ATOM 47 O TRP A 4 0.006 4.785 -8.975 1.00 43.33 O ATOM 48 CB TRP A 4 0.151 7.956 -8.140 1.00 3.13 C ATOM 49 CG TRP A 4 -0.003 9.398 -8.568 1.00 75.31 C ATOM 50 CD1 TRP A 4 0.878 10.421 -8.364 1.00 3.30 C ATOM 51 CD2 TRP A 4 -1.109 9.964 -9.284 1.00 53.34 C ATOM 52 NE1 TRP A 4 0.386 11.581 -8.907 1.00 73.13 N ATOM 53 CE2 TRP A 4 -0.829 11.325 -9.479 1.00 54.41 C ATOM 54 CE3 TRP A 4 -2.311 9.440 -9.779 1.00 73.32 C ATOM 55 CZ2 TRP A 4 -1.703 12.172 -10.149 1.00 2.14 C ATOM 56 CZ3 TRP A 4 -3.179 10.279 -10.444 1.00 74.44 C ATOM 57 CH2 TRP A 4 -2.870 11.632 -10.626 1.00 32.14 C ATOM 0 H TRP A 4 -0.906 7.325 -10.331 1.00 14.52 H new ATOM 0 HA TRP A 4 1.852 7.416 -9.344 1.00 4.34 H new ATOM 0 HB2 TRP A 4 -0.834 7.548 -7.914 1.00 3.13 H new ATOM 0 HB3 TRP A 4 0.730 7.922 -7.217 1.00 3.13 H new ATOM 0 HD1 TRP A 4 1.824 10.330 -7.850 1.00 3.30 H new ATOM 0 HE1 TRP A 4 0.852 12.488 -8.887 1.00 73.13 H new ATOM 0 HE3 TRP A 4 -2.553 8.396 -9.642 1.00 73.32 H new ATOM 0 HZ2 TRP A 4 -1.472 13.218 -10.289 1.00 2.14 H new ATOM 0 HZ3 TRP A 4 -4.109 9.888 -10.829 1.00 74.44 H new ATOM 0 HH2 TRP A 4 -3.567 12.266 -11.154 1.00 32.14 H new ATOM 68 N GLN A 5 1.999 5.273 -7.988 1.00 22.23 N ATOM 69 CA GLN A 5 2.301 3.898 -7.552 1.00 32.21 C ATOM 70 C GLN A 5 2.890 3.903 -6.132 1.00 12.13 C ATOM 71 O GLN A 5 4.017 4.342 -5.925 1.00 72.50 O ATOM 72 CB GLN A 5 3.292 3.246 -8.556 1.00 41.44 C ATOM 73 CG GLN A 5 3.815 1.857 -8.139 1.00 22.30 C ATOM 74 CD GLN A 5 4.710 1.232 -9.200 1.00 41.23 C ATOM 75 OE1 GLN A 5 4.243 0.496 -10.065 1.00 12.24 O ATOM 76 NE2 GLN A 5 5.995 1.548 -9.163 1.00 73.31 N ATOM 0 H GLN A 5 2.695 5.957 -7.692 1.00 22.23 H new ATOM 0 HA GLN A 5 1.380 3.315 -7.531 1.00 32.21 H new ATOM 0 HB2 GLN A 5 2.800 3.158 -9.525 1.00 41.44 H new ATOM 0 HB3 GLN A 5 4.143 3.914 -8.690 1.00 41.44 H new ATOM 0 HG2 GLN A 5 4.370 1.946 -7.205 1.00 22.30 H new ATOM 0 HG3 GLN A 5 2.970 1.197 -7.945 1.00 22.30 H new ATOM 0 HE21 GLN A 5 6.348 2.163 -8.429 1.00 73.31 H new ATOM 0 HE22 GLN A 5 6.632 1.177 -9.868 1.00 73.31 H new ATOM 85 N ILE A 6 2.133 3.361 -5.174 1.00 52.00 N ATOM 86 CA ILE A 6 2.528 3.297 -3.759 1.00 11.22 C ATOM 87 C ILE A 6 3.218 1.947 -3.507 1.00 31.12 C ATOM 88 O ILE A 6 2.562 0.911 -3.523 1.00 11.32 O ATOM 89 CB ILE A 6 1.259 3.390 -2.818 1.00 63.11 C ATOM 90 CG1 ILE A 6 0.315 4.542 -3.253 1.00 13.21 C ATOM 91 CG2 ILE A 6 1.667 3.545 -1.332 1.00 34.21 C ATOM 92 CD1 ILE A 6 -1.035 4.517 -2.568 1.00 45.41 C ATOM 0 H ILE A 6 1.218 2.949 -5.358 1.00 52.00 H new ATOM 0 HA ILE A 6 3.195 4.130 -3.540 1.00 11.22 H new ATOM 0 HB ILE A 6 0.712 2.452 -2.919 1.00 63.11 H new ATOM 0 HG12 ILE A 6 0.800 5.495 -3.044 1.00 13.21 H new ATOM 0 HG13 ILE A 6 0.166 4.490 -4.331 1.00 13.21 H new ATOM 0 HG21 ILE A 6 0.772 3.606 -0.713 1.00 34.21 H new ATOM 0 HG22 ILE A 6 2.261 2.684 -1.026 1.00 34.21 H new ATOM 0 HG23 ILE A 6 2.255 4.454 -1.209 1.00 34.21 H new ATOM 0 HD11 ILE A 6 -1.639 5.352 -2.923 1.00 45.41 H new ATOM 0 HD12 ILE A 6 -1.542 3.580 -2.797 1.00 45.41 H new ATOM 0 HD13 ILE A 6 -0.898 4.601 -1.490 1.00 45.41 H new ATOM 104 N LYS A 7 4.535 1.950 -3.309 1.00 0.50 N ATOM 105 CA LYS A 7 5.269 0.745 -2.898 1.00 43.44 C ATOM 106 C LYS A 7 5.634 0.873 -1.426 1.00 5.15 C ATOM 107 O LYS A 7 6.498 1.668 -1.050 1.00 21.22 O ATOM 108 CB LYS A 7 6.510 0.489 -3.786 1.00 42.43 C ATOM 109 CG LYS A 7 6.152 -0.026 -5.197 1.00 44.32 C ATOM 110 CD LYS A 7 7.384 -0.535 -5.965 1.00 12.44 C ATOM 111 CE LYS A 7 7.027 -1.141 -7.324 1.00 72.31 C ATOM 112 NZ LYS A 7 8.235 -1.591 -8.061 1.00 62.42 N ATOM 0 H LYS A 7 5.122 2.776 -3.426 1.00 0.50 H new ATOM 0 HA LYS A 7 4.629 -0.127 -3.032 1.00 43.44 H new ATOM 0 HB2 LYS A 7 7.080 1.413 -3.877 1.00 42.43 H new ATOM 0 HB3 LYS A 7 7.157 -0.237 -3.294 1.00 42.43 H new ATOM 0 HG2 LYS A 7 5.422 -0.831 -5.113 1.00 44.32 H new ATOM 0 HG3 LYS A 7 5.679 0.776 -5.764 1.00 44.32 H new ATOM 0 HD2 LYS A 7 8.081 0.290 -6.112 1.00 12.44 H new ATOM 0 HD3 LYS A 7 7.898 -1.284 -5.362 1.00 12.44 H new ATOM 0 HE2 LYS A 7 6.353 -1.986 -7.180 1.00 72.31 H new ATOM 0 HE3 LYS A 7 6.490 -0.404 -7.921 1.00 72.31 H new ATOM 0 HZ1 LYS A 7 7.952 -1.996 -8.976 1.00 62.42 H new ATOM 0 HZ2 LYS A 7 8.866 -0.780 -8.221 1.00 62.42 H new ATOM 0 HZ3 LYS A 7 8.734 -2.313 -7.503 1.00 62.42 H new ATOM 126 N ILE A 8 4.952 0.079 -0.611 1.00 4.12 N ATOM 127 CA ILE A 8 5.088 0.086 0.841 1.00 43.44 C ATOM 128 C ILE A 8 6.080 -1.004 1.243 1.00 25.52 C ATOM 129 O ILE A 8 6.033 -2.101 0.702 1.00 22.12 O ATOM 130 CB ILE A 8 3.706 -0.226 1.518 1.00 34.41 C ATOM 131 CG1 ILE A 8 2.592 0.727 0.983 1.00 71.02 C ATOM 132 CG2 ILE A 8 3.837 -0.145 3.059 1.00 11.44 C ATOM 133 CD1 ILE A 8 1.174 0.262 1.261 1.00 53.02 C ATOM 0 H ILE A 8 4.273 -0.604 -0.948 1.00 4.12 H new ATOM 0 HA ILE A 8 5.435 1.068 1.164 1.00 43.44 H new ATOM 0 HB ILE A 8 3.410 -1.242 1.257 1.00 34.41 H new ATOM 0 HG12 ILE A 8 2.731 1.712 1.428 1.00 71.02 H new ATOM 0 HG13 ILE A 8 2.718 0.843 -0.094 1.00 71.02 H new ATOM 0 HG21 ILE A 8 2.873 -0.363 3.518 1.00 11.44 H new ATOM 0 HG22 ILE A 8 4.574 -0.872 3.400 1.00 11.44 H new ATOM 0 HG23 ILE A 8 4.157 0.857 3.345 1.00 11.44 H new ATOM 0 HD11 ILE A 8 0.467 0.985 0.854 1.00 53.02 H new ATOM 0 HD12 ILE A 8 1.011 -0.708 0.792 1.00 53.02 H new ATOM 0 HD13 ILE A 8 1.024 0.175 2.337 1.00 53.02 H new ATOM 145 N TYR A 9 6.970 -0.692 2.179 1.00 53.11 N ATOM 146 CA TYR A 9 7.950 -1.646 2.704 1.00 20.41 C ATOM 147 C TYR A 9 7.656 -1.840 4.189 1.00 24.30 C ATOM 148 O TYR A 9 7.898 -0.942 5.010 1.00 35.21 O ATOM 149 CB TYR A 9 9.386 -1.108 2.450 1.00 51.24 C ATOM 150 CG TYR A 9 9.630 -0.789 0.963 1.00 5.04 C ATOM 151 CD1 TYR A 9 9.773 -1.814 0.031 1.00 74.54 C ATOM 152 CD2 TYR A 9 9.632 0.529 0.483 1.00 33.14 C ATOM 153 CE1 TYR A 9 9.928 -1.546 -1.315 1.00 44.13 C ATOM 154 CE2 TYR A 9 9.775 0.795 -0.865 1.00 2.11 C ATOM 155 CZ TYR A 9 9.921 -0.246 -1.755 1.00 63.31 C ATOM 156 OH TYR A 9 10.041 0.020 -3.101 1.00 61.21 O ATOM 0 H TYR A 9 7.035 0.235 2.600 1.00 53.11 H new ATOM 0 HA TYR A 9 7.881 -2.612 2.203 1.00 20.41 H new ATOM 0 HB2 TYR A 9 9.546 -0.208 3.044 1.00 51.24 H new ATOM 0 HB3 TYR A 9 10.114 -1.846 2.786 1.00 51.24 H new ATOM 0 HD1 TYR A 9 9.762 -2.840 0.368 1.00 74.54 H new ATOM 0 HD2 TYR A 9 9.520 1.348 1.178 1.00 33.14 H new ATOM 0 HE1 TYR A 9 10.054 -2.356 -2.018 1.00 44.13 H new ATOM 0 HE2 TYR A 9 9.772 1.815 -1.220 1.00 2.11 H new ATOM 0 HH TYR A 9 9.332 0.638 -3.377 1.00 61.21 H new ATOM 166 N SER A 10 7.072 -2.996 4.507 1.00 34.22 N ATOM 167 CA SER A 10 6.684 -3.373 5.860 1.00 14.45 C ATOM 168 C SER A 10 6.996 -4.851 6.026 1.00 33.52 C ATOM 169 O SER A 10 6.192 -5.707 5.642 1.00 13.54 O ATOM 170 CB SER A 10 5.181 -3.096 6.121 1.00 42.53 C ATOM 171 OG SER A 10 4.814 -1.781 5.755 1.00 52.05 O ATOM 0 H SER A 10 6.852 -3.710 3.813 1.00 34.22 H new ATOM 0 HA SER A 10 7.238 -2.777 6.585 1.00 14.45 H new ATOM 0 HB2 SER A 10 4.578 -3.810 5.560 1.00 42.53 H new ATOM 0 HB3 SER A 10 4.961 -3.253 7.177 1.00 42.53 H new ATOM 0 HG SER A 10 3.860 -1.646 5.933 1.00 52.05 H new ATOM 177 N GLU A 11 8.204 -5.145 6.530 1.00 33.53 N ATOM 178 CA GLU A 11 8.675 -6.518 6.711 1.00 44.34 C ATOM 179 C GLU A 11 8.017 -7.105 7.980 1.00 10.04 C ATOM 180 O GLU A 11 8.659 -7.222 9.028 1.00 61.32 O ATOM 181 CB GLU A 11 10.242 -6.552 6.767 1.00 30.01 C ATOM 182 CG GLU A 11 10.899 -7.866 6.272 1.00 74.51 C ATOM 183 CD GLU A 11 10.494 -9.130 7.054 1.00 21.52 C ATOM 184 OE1 GLU A 11 11.110 -9.417 8.106 1.00 12.43 O ATOM 185 OE2 GLU A 11 9.568 -9.842 6.623 1.00 33.14 O ATOM 0 H GLU A 11 8.877 -4.436 6.822 1.00 33.53 H new ATOM 0 HA GLU A 11 8.384 -7.139 5.863 1.00 44.34 H new ATOM 0 HB2 GLU A 11 10.628 -5.726 6.169 1.00 30.01 H new ATOM 0 HB3 GLU A 11 10.555 -6.375 7.796 1.00 30.01 H new ATOM 0 HG2 GLU A 11 10.644 -8.009 5.222 1.00 74.51 H new ATOM 0 HG3 GLU A 11 11.982 -7.756 6.325 1.00 74.51 H new ATOM 192 N ASN A 12 6.720 -7.426 7.852 1.00 44.21 N ATOM 193 CA ASN A 12 5.873 -7.920 8.945 1.00 1.53 C ATOM 194 C ASN A 12 4.468 -8.192 8.380 1.00 24.31 C ATOM 195 O ASN A 12 3.894 -7.334 7.685 1.00 23.02 O ATOM 196 CB ASN A 12 5.798 -6.868 10.092 1.00 42.14 C ATOM 197 CG ASN A 12 5.172 -7.375 11.401 1.00 75.20 C ATOM 198 OD1 ASN A 12 4.414 -8.338 11.427 1.00 64.31 O ATOM 199 ND2 ASN A 12 5.450 -6.694 12.496 1.00 22.44 N ATOM 0 H ASN A 12 6.222 -7.347 6.966 1.00 44.21 H new ATOM 0 HA ASN A 12 6.295 -8.837 9.357 1.00 1.53 H new ATOM 0 HB2 ASN A 12 6.806 -6.511 10.304 1.00 42.14 H new ATOM 0 HB3 ASN A 12 5.224 -6.011 9.741 1.00 42.14 H new ATOM 0 HD21 ASN A 12 5.032 -6.966 13.386 1.00 22.44 H new ATOM 0 HD22 ASN A 12 6.083 -5.896 12.453 1.00 22.44 H new ATOM 206 N GLU A 13 3.929 -9.380 8.690 1.00 71.35 N ATOM 207 CA GLU A 13 2.585 -9.816 8.248 1.00 72.41 C ATOM 208 C GLU A 13 1.490 -9.016 8.963 1.00 11.31 C ATOM 209 O GLU A 13 0.472 -8.711 8.363 1.00 44.22 O ATOM 210 CB GLU A 13 2.407 -11.327 8.531 1.00 63.11 C ATOM 211 CG GLU A 13 3.439 -12.223 7.813 1.00 22.42 C ATOM 212 CD GLU A 13 3.469 -13.657 8.355 1.00 1.13 C ATOM 213 OE1 GLU A 13 4.218 -13.919 9.327 1.00 72.12 O ATOM 214 OE2 GLU A 13 2.739 -14.525 7.834 1.00 23.35 O ATOM 0 H GLU A 13 4.413 -10.075 9.259 1.00 71.35 H new ATOM 0 HA GLU A 13 2.496 -9.635 7.177 1.00 72.41 H new ATOM 0 HB2 GLU A 13 2.478 -11.496 9.605 1.00 63.11 H new ATOM 0 HB3 GLU A 13 1.405 -11.628 8.227 1.00 63.11 H new ATOM 0 HG2 GLU A 13 3.211 -12.248 6.747 1.00 22.42 H new ATOM 0 HG3 GLU A 13 4.430 -11.781 7.916 1.00 22.42 H new ATOM 221 N ARG A 14 1.743 -8.680 10.246 1.00 42.44 N ATOM 222 CA ARG A 14 0.821 -7.906 11.112 1.00 5.03 C ATOM 223 C ARG A 14 0.457 -6.546 10.487 1.00 53.41 C ATOM 224 O ARG A 14 -0.694 -6.102 10.579 1.00 72.41 O ATOM 225 CB ARG A 14 1.481 -7.686 12.509 1.00 41.22 C ATOM 226 CG ARG A 14 0.691 -6.805 13.511 1.00 11.14 C ATOM 227 CD ARG A 14 -0.695 -7.369 13.861 1.00 61.12 C ATOM 228 NE ARG A 14 -0.621 -8.676 14.550 1.00 22.35 N ATOM 229 CZ ARG A 14 -1.597 -9.209 15.315 1.00 33.54 C ATOM 230 NH1 ARG A 14 -2.747 -8.554 15.506 1.00 1.24 N ATOM 231 NH2 ARG A 14 -1.403 -10.392 15.896 1.00 55.32 N ATOM 0 H ARG A 14 2.608 -8.942 10.719 1.00 42.44 H new ATOM 0 HA ARG A 14 -0.100 -8.478 11.220 1.00 5.03 H new ATOM 0 HB2 ARG A 14 1.646 -8.661 12.967 1.00 41.22 H new ATOM 0 HB3 ARG A 14 2.462 -7.236 12.357 1.00 41.22 H new ATOM 0 HG2 ARG A 14 1.273 -6.698 14.426 1.00 11.14 H new ATOM 0 HG3 ARG A 14 0.573 -5.806 13.090 1.00 11.14 H new ATOM 0 HD2 ARG A 14 -1.223 -6.657 14.496 1.00 61.12 H new ATOM 0 HD3 ARG A 14 -1.280 -7.477 12.948 1.00 61.12 H new ATOM 0 HE ARG A 14 0.236 -9.218 14.438 1.00 22.35 H new ATOM 0 HH11 ARG A 14 -2.893 -7.643 15.072 1.00 1.24 H new ATOM 0 HH12 ARG A 14 -3.478 -8.966 16.086 1.00 1.24 H new ATOM 0 HH21 ARG A 14 -0.522 -10.888 15.761 1.00 55.32 H new ATOM 0 HH22 ARG A 14 -2.135 -10.802 16.476 1.00 55.32 H new ATOM 245 N GLU A 15 1.448 -5.910 9.858 1.00 73.11 N ATOM 246 CA GLU A 15 1.294 -4.569 9.275 1.00 72.21 C ATOM 247 C GLU A 15 0.520 -4.654 7.956 1.00 33.01 C ATOM 248 O GLU A 15 -0.508 -3.985 7.775 1.00 41.33 O ATOM 249 CB GLU A 15 2.691 -3.929 9.079 1.00 34.05 C ATOM 250 CG GLU A 15 3.557 -3.984 10.353 1.00 14.12 C ATOM 251 CD GLU A 15 4.892 -3.241 10.234 1.00 14.43 C ATOM 252 OE1 GLU A 15 5.720 -3.600 9.369 1.00 61.14 O ATOM 253 OE2 GLU A 15 5.142 -2.327 11.033 1.00 24.22 O ATOM 0 H GLU A 15 2.380 -6.307 9.737 1.00 73.11 H new ATOM 0 HA GLU A 15 0.721 -3.935 9.951 1.00 72.21 H new ATOM 0 HB2 GLU A 15 3.210 -4.442 8.270 1.00 34.05 H new ATOM 0 HB3 GLU A 15 2.570 -2.890 8.772 1.00 34.05 H new ATOM 0 HG2 GLU A 15 2.991 -3.561 11.183 1.00 14.12 H new ATOM 0 HG3 GLU A 15 3.755 -5.027 10.600 1.00 14.12 H new ATOM 260 N PHE A 16 1.006 -5.534 7.062 1.00 14.32 N ATOM 261 CA PHE A 16 0.425 -5.722 5.720 1.00 13.40 C ATOM 262 C PHE A 16 -0.977 -6.321 5.743 1.00 42.22 C ATOM 263 O PHE A 16 -1.759 -6.030 4.843 1.00 42.44 O ATOM 264 CB PHE A 16 1.361 -6.568 4.809 1.00 11.53 C ATOM 265 CG PHE A 16 2.427 -5.761 4.073 1.00 40.10 C ATOM 266 CD1 PHE A 16 2.336 -4.366 3.926 1.00 1.53 C ATOM 267 CD2 PHE A 16 3.510 -6.402 3.500 1.00 53.24 C ATOM 268 CE1 PHE A 16 3.296 -3.665 3.235 1.00 4.35 C ATOM 269 CE2 PHE A 16 4.458 -5.691 2.809 1.00 52.44 C ATOM 270 CZ PHE A 16 4.361 -4.325 2.681 1.00 34.15 C ATOM 0 H PHE A 16 1.810 -6.133 7.249 1.00 14.32 H new ATOM 0 HA PHE A 16 0.331 -4.721 5.299 1.00 13.40 H new ATOM 0 HB2 PHE A 16 1.853 -7.325 5.419 1.00 11.53 H new ATOM 0 HB3 PHE A 16 0.752 -7.096 4.075 1.00 11.53 H new ATOM 0 HD1 PHE A 16 1.501 -3.838 4.362 1.00 1.53 H new ATOM 0 HD2 PHE A 16 3.610 -7.473 3.597 1.00 53.24 H new ATOM 0 HE1 PHE A 16 3.210 -2.594 3.129 1.00 4.35 H new ATOM 0 HE2 PHE A 16 5.291 -6.211 2.360 1.00 52.44 H new ATOM 0 HZ PHE A 16 5.121 -3.775 2.146 1.00 34.15 H new ATOM 280 N ARG A 17 -1.291 -7.145 6.753 1.00 20.45 N ATOM 281 CA ARG A 17 -2.608 -7.801 6.832 1.00 25.43 C ATOM 282 C ARG A 17 -3.713 -6.745 7.029 1.00 12.33 C ATOM 283 O ARG A 17 -4.789 -6.880 6.470 1.00 53.10 O ATOM 284 CB ARG A 17 -2.644 -8.904 7.938 1.00 14.22 C ATOM 285 CG ARG A 17 -2.632 -8.410 9.419 1.00 72.15 C ATOM 286 CD ARG A 17 -4.034 -8.251 10.053 1.00 22.41 C ATOM 287 NE ARG A 17 -3.984 -7.497 11.318 1.00 14.41 N ATOM 288 CZ ARG A 17 -4.885 -7.582 12.306 1.00 4.41 C ATOM 289 NH1 ARG A 17 -5.926 -8.411 12.227 1.00 32.11 N ATOM 290 NH2 ARG A 17 -4.762 -6.794 13.360 1.00 15.33 N ATOM 0 H ARG A 17 -0.659 -7.373 7.521 1.00 20.45 H new ATOM 0 HA ARG A 17 -2.794 -8.313 5.888 1.00 25.43 H new ATOM 0 HB2 ARG A 17 -3.539 -9.508 7.788 1.00 14.22 H new ATOM 0 HB3 ARG A 17 -1.787 -9.562 7.791 1.00 14.22 H new ATOM 0 HG2 ARG A 17 -2.053 -9.113 10.019 1.00 72.15 H new ATOM 0 HG3 ARG A 17 -2.115 -7.451 9.465 1.00 72.15 H new ATOM 0 HD2 ARG A 17 -4.693 -7.740 9.352 1.00 22.41 H new ATOM 0 HD3 ARG A 17 -4.464 -9.236 10.235 1.00 22.41 H new ATOM 0 HE ARG A 17 -3.200 -6.859 11.452 1.00 14.41 H new ATOM 0 HH11 ARG A 17 -6.049 -8.998 11.402 1.00 32.11 H new ATOM 0 HH12 ARG A 17 -6.599 -8.459 12.992 1.00 32.11 H new ATOM 0 HH21 ARG A 17 -3.988 -6.132 13.414 1.00 15.33 H new ATOM 0 HH22 ARG A 17 -5.441 -6.848 14.119 1.00 15.33 H new ATOM 304 N GLU A 18 -3.396 -5.671 7.788 1.00 0.34 N ATOM 305 CA GLU A 18 -4.321 -4.544 8.037 1.00 4.31 C ATOM 306 C GLU A 18 -4.547 -3.751 6.739 1.00 71.24 C ATOM 307 O GLU A 18 -5.644 -3.227 6.503 1.00 50.12 O ATOM 308 CB GLU A 18 -3.756 -3.628 9.156 1.00 33.41 C ATOM 309 CG GLU A 18 -3.470 -4.371 10.479 1.00 24.42 C ATOM 310 CD GLU A 18 -2.850 -3.490 11.575 1.00 44.20 C ATOM 311 OE1 GLU A 18 -1.837 -2.814 11.302 1.00 0.43 O ATOM 312 OE2 GLU A 18 -3.343 -3.506 12.731 1.00 53.11 O ATOM 0 H GLU A 18 -2.491 -5.562 8.245 1.00 0.34 H new ATOM 0 HA GLU A 18 -5.282 -4.936 8.370 1.00 4.31 H new ATOM 0 HB2 GLU A 18 -2.835 -3.164 8.803 1.00 33.41 H new ATOM 0 HB3 GLU A 18 -4.465 -2.823 9.347 1.00 33.41 H new ATOM 0 HG2 GLU A 18 -4.402 -4.795 10.853 1.00 24.42 H new ATOM 0 HG3 GLU A 18 -2.799 -5.205 10.276 1.00 24.42 H new ATOM 319 N LEU A 19 -3.496 -3.693 5.895 1.00 51.30 N ATOM 320 CA LEU A 19 -3.571 -3.075 4.562 1.00 32.50 C ATOM 321 C LEU A 19 -4.375 -3.943 3.584 1.00 14.30 C ATOM 322 O LEU A 19 -5.166 -3.412 2.817 1.00 10.43 O ATOM 323 CB LEU A 19 -2.150 -2.760 3.993 1.00 11.05 C ATOM 324 CG LEU A 19 -1.556 -1.376 4.420 1.00 52.44 C ATOM 325 CD1 LEU A 19 -2.511 -0.219 4.008 1.00 63.14 C ATOM 326 CD2 LEU A 19 -1.213 -1.327 5.938 1.00 41.44 C ATOM 0 H LEU A 19 -2.577 -4.073 6.120 1.00 51.30 H new ATOM 0 HA LEU A 19 -4.098 -2.128 4.677 1.00 32.50 H new ATOM 0 HB2 LEU A 19 -1.465 -3.546 4.312 1.00 11.05 H new ATOM 0 HB3 LEU A 19 -2.195 -2.799 2.905 1.00 11.05 H new ATOM 0 HG LEU A 19 -0.614 -1.243 3.887 1.00 52.44 H new ATOM 0 HD11 LEU A 19 -2.080 0.735 4.314 1.00 63.14 H new ATOM 0 HD12 LEU A 19 -2.646 -0.226 2.926 1.00 63.14 H new ATOM 0 HD13 LEU A 19 -3.477 -0.354 4.495 1.00 63.14 H new ATOM 0 HD21 LEU A 19 -0.804 -0.348 6.187 1.00 41.44 H new ATOM 0 HD22 LEU A 19 -2.117 -1.502 6.521 1.00 41.44 H new ATOM 0 HD23 LEU A 19 -0.477 -2.097 6.170 1.00 41.44 H new ATOM 338 N ILE A 20 -4.194 -5.276 3.636 1.00 52.12 N ATOM 339 CA ILE A 20 -4.943 -6.208 2.762 1.00 3.12 C ATOM 340 C ILE A 20 -6.446 -6.090 3.084 1.00 25.35 C ATOM 341 O ILE A 20 -7.267 -5.955 2.176 1.00 53.14 O ATOM 342 CB ILE A 20 -4.451 -7.707 2.910 1.00 52.14 C ATOM 343 CG1 ILE A 20 -2.926 -7.848 2.564 1.00 65.51 C ATOM 344 CG2 ILE A 20 -5.296 -8.680 2.044 1.00 34.22 C ATOM 345 CD1 ILE A 20 -2.513 -7.425 1.155 1.00 61.14 C ATOM 0 H ILE A 20 -3.539 -5.734 4.270 1.00 52.12 H new ATOM 0 HA ILE A 20 -4.758 -5.929 1.725 1.00 3.12 H new ATOM 0 HB ILE A 20 -4.591 -7.982 3.955 1.00 52.14 H new ATOM 0 HG12 ILE A 20 -2.356 -7.257 3.280 1.00 65.51 H new ATOM 0 HG13 ILE A 20 -2.637 -8.889 2.708 1.00 65.51 H new ATOM 0 HG21 ILE A 20 -4.926 -9.697 2.174 1.00 34.22 H new ATOM 0 HG22 ILE A 20 -6.340 -8.631 2.355 1.00 34.22 H new ATOM 0 HG23 ILE A 20 -5.216 -8.396 0.995 1.00 34.22 H new ATOM 0 HD11 ILE A 20 -1.439 -7.567 1.033 1.00 61.14 H new ATOM 0 HD12 ILE A 20 -3.045 -8.032 0.422 1.00 61.14 H new ATOM 0 HD13 ILE A 20 -2.760 -6.374 1.004 1.00 61.14 H new ATOM 357 N GLU A 21 -6.756 -6.032 4.399 1.00 62.21 N ATOM 358 CA GLU A 21 -8.121 -5.803 4.903 1.00 4.24 C ATOM 359 C GLU A 21 -8.695 -4.472 4.372 1.00 43.35 C ATOM 360 O GLU A 21 -9.837 -4.426 3.901 1.00 74.10 O ATOM 361 CB GLU A 21 -8.124 -5.769 6.460 1.00 24.31 C ATOM 362 CG GLU A 21 -7.794 -7.095 7.168 1.00 64.14 C ATOM 363 CD GLU A 21 -8.811 -8.214 6.893 1.00 74.44 C ATOM 364 OE1 GLU A 21 -9.831 -8.290 7.607 1.00 53.32 O ATOM 365 OE2 GLU A 21 -8.593 -9.034 5.978 1.00 43.54 O ATOM 0 H GLU A 21 -6.062 -6.143 5.138 1.00 62.21 H new ATOM 0 HA GLU A 21 -8.744 -6.624 4.549 1.00 4.24 H new ATOM 0 HB2 GLU A 21 -7.406 -5.017 6.788 1.00 24.31 H new ATOM 0 HB3 GLU A 21 -9.107 -5.438 6.794 1.00 24.31 H new ATOM 0 HG2 GLU A 21 -6.806 -7.429 6.852 1.00 64.14 H new ATOM 0 HG3 GLU A 21 -7.742 -6.920 8.243 1.00 64.14 H new ATOM 372 N ARG A 22 -7.871 -3.410 4.443 1.00 4.52 N ATOM 373 CA ARG A 22 -8.277 -2.038 4.101 1.00 51.43 C ATOM 374 C ARG A 22 -8.585 -1.909 2.589 1.00 61.23 C ATOM 375 O ARG A 22 -9.602 -1.324 2.203 1.00 32.45 O ATOM 376 CB ARG A 22 -7.170 -1.023 4.552 1.00 15.43 C ATOM 377 CG ARG A 22 -7.711 0.299 5.144 1.00 52.23 C ATOM 378 CD ARG A 22 -8.600 1.097 4.169 1.00 1.54 C ATOM 379 NE ARG A 22 -9.069 2.363 4.745 1.00 53.52 N ATOM 380 CZ ARG A 22 -10.141 2.518 5.532 1.00 45.55 C ATOM 381 NH1 ARG A 22 -10.901 1.486 5.876 1.00 65.51 N ATOM 382 NH2 ARG A 22 -10.431 3.724 5.993 1.00 72.21 N ATOM 0 H ARG A 22 -6.898 -3.483 4.742 1.00 4.52 H new ATOM 0 HA ARG A 22 -9.196 -1.801 4.637 1.00 51.43 H new ATOM 0 HB2 ARG A 22 -6.535 -1.505 5.295 1.00 15.43 H new ATOM 0 HB3 ARG A 22 -6.538 -0.790 3.695 1.00 15.43 H new ATOM 0 HG2 ARG A 22 -8.284 0.076 6.044 1.00 52.23 H new ATOM 0 HG3 ARG A 22 -6.870 0.922 5.447 1.00 52.23 H new ATOM 0 HD2 ARG A 22 -8.040 1.302 3.256 1.00 1.54 H new ATOM 0 HD3 ARG A 22 -9.460 0.490 3.886 1.00 1.54 H new ATOM 0 HE ARG A 22 -8.529 3.200 4.526 1.00 53.52 H new ATOM 0 HH11 ARG A 22 -10.673 0.550 5.540 1.00 65.51 H new ATOM 0 HH12 ARG A 22 -11.713 1.628 6.477 1.00 65.51 H new ATOM 0 HH21 ARG A 22 -9.841 4.519 5.748 1.00 72.21 H new ATOM 0 HH22 ARG A 22 -11.244 3.858 6.594 1.00 72.21 H new ATOM 396 N LEU A 23 -7.713 -2.476 1.751 1.00 54.55 N ATOM 397 CA LEU A 23 -7.864 -2.441 0.283 1.00 74.33 C ATOM 398 C LEU A 23 -9.059 -3.311 -0.189 1.00 51.43 C ATOM 399 O LEU A 23 -9.603 -3.086 -1.282 1.00 32.32 O ATOM 400 CB LEU A 23 -6.528 -2.863 -0.405 1.00 12.14 C ATOM 401 CG LEU A 23 -5.431 -1.743 -0.572 1.00 31.10 C ATOM 402 CD1 LEU A 23 -5.940 -0.587 -1.452 1.00 30.25 C ATOM 403 CD2 LEU A 23 -4.902 -1.200 0.778 1.00 22.20 C ATOM 0 H LEU A 23 -6.880 -2.974 2.065 1.00 54.55 H new ATOM 0 HA LEU A 23 -8.089 -1.417 -0.016 1.00 74.33 H new ATOM 0 HB2 LEU A 23 -6.094 -3.681 0.169 1.00 12.14 H new ATOM 0 HB3 LEU A 23 -6.764 -3.257 -1.393 1.00 12.14 H new ATOM 0 HG LEU A 23 -4.590 -2.224 -1.071 1.00 31.10 H new ATOM 0 HD11 LEU A 23 -5.160 0.168 -1.547 1.00 30.25 H new ATOM 0 HD12 LEU A 23 -6.199 -0.968 -2.440 1.00 30.25 H new ATOM 0 HD13 LEU A 23 -6.822 -0.141 -0.993 1.00 30.25 H new ATOM 0 HD21 LEU A 23 -4.150 -0.433 0.592 1.00 22.20 H new ATOM 0 HD22 LEU A 23 -5.727 -0.770 1.346 1.00 22.20 H new ATOM 0 HD23 LEU A 23 -4.456 -2.015 1.348 1.00 22.20 H new ATOM 415 N GLU A 24 -9.468 -4.291 0.651 1.00 33.31 N ATOM 416 CA GLU A 24 -10.690 -5.107 0.422 1.00 10.33 C ATOM 417 C GLU A 24 -11.965 -4.385 0.917 1.00 74.30 C ATOM 418 O GLU A 24 -13.077 -4.864 0.690 1.00 25.34 O ATOM 419 CB GLU A 24 -10.553 -6.501 1.089 1.00 12.33 C ATOM 420 CG GLU A 24 -9.437 -7.359 0.466 1.00 43.24 C ATOM 421 CD GLU A 24 -9.305 -8.752 1.085 1.00 31.43 C ATOM 422 OE1 GLU A 24 -8.737 -8.866 2.190 1.00 61.51 O ATOM 423 OE2 GLU A 24 -9.773 -9.743 0.477 1.00 24.01 O ATOM 0 H GLU A 24 -8.965 -4.539 1.503 1.00 33.31 H new ATOM 0 HA GLU A 24 -10.792 -5.246 -0.654 1.00 10.33 H new ATOM 0 HB2 GLU A 24 -10.353 -6.371 2.152 1.00 12.33 H new ATOM 0 HB3 GLU A 24 -11.501 -7.032 1.006 1.00 12.33 H new ATOM 0 HG2 GLU A 24 -9.627 -7.464 -0.602 1.00 43.24 H new ATOM 0 HG3 GLU A 24 -8.487 -6.834 0.571 1.00 43.24 H new ATOM 430 N GLU A 25 -11.796 -3.252 1.603 1.00 73.44 N ATOM 431 CA GLU A 25 -12.910 -2.344 1.958 1.00 10.00 C ATOM 432 C GLU A 25 -13.173 -1.345 0.814 1.00 23.43 C ATOM 433 O GLU A 25 -14.266 -0.788 0.709 1.00 41.14 O ATOM 434 CB GLU A 25 -12.591 -1.566 3.263 1.00 62.44 C ATOM 435 CG GLU A 25 -12.325 -2.462 4.483 1.00 4.55 C ATOM 436 CD GLU A 25 -12.105 -1.668 5.778 1.00 41.03 C ATOM 437 OE1 GLU A 25 -13.102 -1.318 6.445 1.00 20.24 O ATOM 438 OE2 GLU A 25 -10.944 -1.381 6.132 1.00 32.31 O ATOM 0 H GLU A 25 -10.886 -2.930 1.932 1.00 73.44 H new ATOM 0 HA GLU A 25 -13.801 -2.951 2.118 1.00 10.00 H new ATOM 0 HB2 GLU A 25 -11.718 -0.936 3.092 1.00 62.44 H new ATOM 0 HB3 GLU A 25 -13.425 -0.902 3.489 1.00 62.44 H new ATOM 0 HG2 GLU A 25 -13.168 -3.140 4.619 1.00 4.55 H new ATOM 0 HG3 GLU A 25 -11.447 -3.079 4.289 1.00 4.55 H new ATOM 445 N GLU A 26 -12.158 -1.138 -0.034 1.00 61.41 N ATOM 446 CA GLU A 26 -12.159 -0.105 -1.077 1.00 4.32 C ATOM 447 C GLU A 26 -12.570 -0.704 -2.440 1.00 42.20 C ATOM 448 O GLU A 26 -11.855 -1.528 -3.023 1.00 0.24 O ATOM 449 CB GLU A 26 -10.754 0.545 -1.118 1.00 24.30 C ATOM 450 CG GLU A 26 -10.344 1.186 0.228 1.00 11.00 C ATOM 451 CD GLU A 26 -8.944 1.821 0.230 1.00 33.02 C ATOM 452 OE1 GLU A 26 -8.821 2.988 -0.207 1.00 62.23 O ATOM 453 OE2 GLU A 26 -7.973 1.169 0.677 1.00 63.35 O ATOM 0 H GLU A 26 -11.301 -1.691 -0.015 1.00 61.41 H new ATOM 0 HA GLU A 26 -12.895 0.666 -0.849 1.00 4.32 H new ATOM 0 HB2 GLU A 26 -10.018 -0.211 -1.393 1.00 24.30 H new ATOM 0 HB3 GLU A 26 -10.735 1.307 -1.897 1.00 24.30 H new ATOM 0 HG2 GLU A 26 -11.076 1.950 0.490 1.00 11.00 H new ATOM 0 HG3 GLU A 26 -10.385 0.424 1.006 1.00 11.00 H new ATOM 460 N ARG A 27 -13.768 -0.293 -2.915 1.00 24.41 N ATOM 461 CA ARG A 27 -14.422 -0.816 -4.143 1.00 54.02 C ATOM 462 C ARG A 27 -14.425 0.258 -5.272 1.00 0.00 C ATOM 463 O ARG A 27 -14.183 1.432 -4.981 1.00 54.34 O ATOM 464 CB ARG A 27 -15.870 -1.325 -3.788 1.00 13.44 C ATOM 465 CG ARG A 27 -15.948 -2.833 -3.413 1.00 60.14 C ATOM 466 CD ARG A 27 -15.085 -3.223 -2.185 1.00 33.10 C ATOM 467 NE ARG A 27 -14.734 -4.655 -2.201 1.00 55.40 N ATOM 468 CZ ARG A 27 -13.498 -5.153 -2.381 1.00 12.22 C ATOM 469 NH1 ARG A 27 -12.451 -4.353 -2.563 1.00 50.32 N ATOM 470 NH2 ARG A 27 -13.321 -6.465 -2.373 1.00 23.41 N ATOM 0 H ARG A 27 -14.321 0.426 -2.448 1.00 24.41 H new ATOM 0 HA ARG A 27 -13.855 -1.663 -4.529 1.00 54.02 H new ATOM 0 HB2 ARG A 27 -16.255 -0.736 -2.956 1.00 13.44 H new ATOM 0 HB3 ARG A 27 -16.525 -1.141 -4.639 1.00 13.44 H new ATOM 0 HG2 ARG A 27 -16.987 -3.093 -3.211 1.00 60.14 H new ATOM 0 HG3 ARG A 27 -15.631 -3.427 -4.270 1.00 60.14 H new ATOM 0 HD2 ARG A 27 -14.174 -2.625 -2.175 1.00 33.10 H new ATOM 0 HD3 ARG A 27 -15.629 -2.991 -1.269 1.00 33.10 H new ATOM 0 HE ARG A 27 -15.492 -5.324 -2.064 1.00 55.40 H new ATOM 0 HH11 ARG A 27 -12.577 -3.341 -2.568 1.00 50.32 H new ATOM 0 HH12 ARG A 27 -11.522 -4.752 -2.698 1.00 50.32 H new ATOM 0 HH21 ARG A 27 -14.118 -7.086 -2.231 1.00 23.41 H new ATOM 0 HH22 ARG A 27 -12.388 -6.855 -2.509 1.00 23.41 H new ATOM 484 N PRO A 28 -14.681 -0.098 -6.599 1.00 20.42 N ATOM 485 CA PRO A 28 -15.052 -1.475 -7.088 1.00 42.14 C ATOM 486 C PRO A 28 -13.884 -2.489 -7.029 1.00 2.01 C ATOM 487 O PRO A 28 -14.106 -3.684 -6.824 1.00 10.13 O ATOM 488 CB PRO A 28 -15.504 -1.210 -8.546 1.00 22.32 C ATOM 489 CG PRO A 28 -14.715 -0.011 -8.970 1.00 23.24 C ATOM 490 CD PRO A 28 -14.613 0.868 -7.740 1.00 2.41 C ATOM 0 HA PRO A 28 -15.816 -1.938 -6.464 1.00 42.14 H new ATOM 0 HB2 PRO A 28 -15.299 -2.067 -9.187 1.00 22.32 H new ATOM 0 HB3 PRO A 28 -16.576 -1.020 -8.601 1.00 22.32 H new ATOM 0 HG2 PRO A 28 -13.727 -0.299 -9.328 1.00 23.24 H new ATOM 0 HG3 PRO A 28 -15.210 0.514 -9.787 1.00 23.24 H new ATOM 0 HD2 PRO A 28 -13.681 1.433 -7.729 1.00 2.41 H new ATOM 0 HD3 PRO A 28 -15.426 1.593 -7.699 1.00 2.41 H new ATOM 498 N SER A 29 -12.655 -1.980 -7.194 1.00 52.43 N ATOM 499 CA SER A 29 -11.426 -2.770 -7.165 1.00 5.31 C ATOM 500 C SER A 29 -10.234 -1.819 -7.129 1.00 34.23 C ATOM 501 O SER A 29 -10.194 -0.844 -7.898 1.00 74.00 O ATOM 502 CB SER A 29 -11.326 -3.688 -8.409 1.00 2.10 C ATOM 503 OG SER A 29 -10.116 -4.433 -8.408 1.00 24.22 O ATOM 0 H SER A 29 -12.489 -0.986 -7.354 1.00 52.43 H new ATOM 0 HA SER A 29 -11.432 -3.404 -6.278 1.00 5.31 H new ATOM 0 HB2 SER A 29 -12.175 -4.371 -8.428 1.00 2.10 H new ATOM 0 HB3 SER A 29 -11.382 -3.084 -9.314 1.00 2.10 H new ATOM 0 HG SER A 29 -10.083 -5.004 -9.204 1.00 24.22 H new ATOM 509 N VAL A 30 -9.287 -2.080 -6.221 1.00 35.34 N ATOM 510 CA VAL A 30 -7.994 -1.388 -6.201 1.00 3.23 C ATOM 511 C VAL A 30 -6.885 -2.396 -6.527 1.00 54.24 C ATOM 512 O VAL A 30 -6.940 -3.554 -6.086 1.00 34.31 O ATOM 513 CB VAL A 30 -7.694 -0.682 -4.826 1.00 61.34 C ATOM 514 CG1 VAL A 30 -6.390 0.155 -4.909 1.00 35.12 C ATOM 515 CG2 VAL A 30 -8.890 0.190 -4.367 1.00 31.14 C ATOM 0 H VAL A 30 -9.395 -2.775 -5.482 1.00 35.34 H new ATOM 0 HA VAL A 30 -8.031 -0.598 -6.952 1.00 3.23 H new ATOM 0 HB VAL A 30 -7.549 -1.460 -4.076 1.00 61.34 H new ATOM 0 HG11 VAL A 30 -6.203 0.634 -3.948 1.00 35.12 H new ATOM 0 HG12 VAL A 30 -5.554 -0.498 -5.158 1.00 35.12 H new ATOM 0 HG13 VAL A 30 -6.496 0.918 -5.680 1.00 35.12 H new ATOM 0 HG21 VAL A 30 -8.651 0.663 -3.415 1.00 31.14 H new ATOM 0 HG22 VAL A 30 -9.088 0.958 -5.115 1.00 31.14 H new ATOM 0 HG23 VAL A 30 -9.773 -0.437 -4.248 1.00 31.14 H new ATOM 525 N GLN A 31 -5.913 -1.946 -7.329 1.00 54.35 N ATOM 526 CA GLN A 31 -4.709 -2.712 -7.648 1.00 54.35 C ATOM 527 C GLN A 31 -3.800 -2.755 -6.413 1.00 61.35 C ATOM 528 O GLN A 31 -3.371 -1.704 -5.941 1.00 10.21 O ATOM 529 CB GLN A 31 -3.952 -2.034 -8.816 1.00 71.43 C ATOM 530 CG GLN A 31 -4.776 -1.844 -10.097 1.00 3.04 C ATOM 531 CD GLN A 31 -4.098 -0.903 -11.090 1.00 72.32 C ATOM 532 OE1 GLN A 31 -3.309 -1.337 -11.927 1.00 14.25 O ATOM 533 NE2 GLN A 31 -4.386 0.390 -10.984 1.00 54.00 N ATOM 0 H GLN A 31 -5.943 -1.031 -7.778 1.00 54.35 H new ATOM 0 HA GLN A 31 -4.989 -3.724 -7.939 1.00 54.35 H new ATOM 0 HB2 GLN A 31 -3.597 -1.059 -8.482 1.00 71.43 H new ATOM 0 HB3 GLN A 31 -3.071 -2.630 -9.053 1.00 71.43 H new ATOM 0 HG2 GLN A 31 -4.936 -2.813 -10.570 1.00 3.04 H new ATOM 0 HG3 GLN A 31 -5.759 -1.449 -9.839 1.00 3.04 H new ATOM 0 HE21 GLN A 31 -5.047 0.709 -10.275 1.00 54.00 H new ATOM 0 HE22 GLN A 31 -3.946 1.064 -11.611 1.00 54.00 H new ATOM 542 N TYR A 32 -3.546 -3.953 -5.879 1.00 71.11 N ATOM 543 CA TYR A 32 -2.558 -4.152 -4.812 1.00 20.04 C ATOM 544 C TYR A 32 -1.944 -5.553 -4.948 1.00 52.32 C ATOM 545 O TYR A 32 -2.654 -6.527 -5.237 1.00 2.34 O ATOM 546 CB TYR A 32 -3.187 -3.916 -3.405 1.00 33.04 C ATOM 547 CG TYR A 32 -4.281 -4.907 -2.979 1.00 64.52 C ATOM 548 CD1 TYR A 32 -5.606 -4.743 -3.387 1.00 22.30 C ATOM 549 CD2 TYR A 32 -3.986 -6.012 -2.166 1.00 51.43 C ATOM 550 CE1 TYR A 32 -6.587 -5.633 -3.003 1.00 70.44 C ATOM 551 CE2 TYR A 32 -4.969 -6.901 -1.784 1.00 22.32 C ATOM 552 CZ TYR A 32 -6.263 -6.708 -2.206 1.00 33.50 C ATOM 553 OH TYR A 32 -7.236 -7.603 -1.839 1.00 31.21 O ATOM 0 H TYR A 32 -4.016 -4.809 -6.172 1.00 71.11 H new ATOM 0 HA TYR A 32 -1.761 -3.416 -4.914 1.00 20.04 H new ATOM 0 HB2 TYR A 32 -2.389 -3.946 -2.663 1.00 33.04 H new ATOM 0 HB3 TYR A 32 -3.607 -2.910 -3.381 1.00 33.04 H new ATOM 0 HD1 TYR A 32 -5.868 -3.904 -4.015 1.00 22.30 H new ATOM 0 HD2 TYR A 32 -2.971 -6.169 -1.833 1.00 51.43 H new ATOM 0 HE1 TYR A 32 -7.607 -5.487 -3.327 1.00 70.44 H new ATOM 0 HE2 TYR A 32 -4.723 -7.745 -1.156 1.00 22.32 H new ATOM 0 HH TYR A 32 -6.842 -8.303 -1.278 1.00 31.21 H new ATOM 563 N THR A 33 -0.621 -5.640 -4.774 1.00 51.43 N ATOM 564 CA THR A 33 0.129 -6.891 -4.889 1.00 41.52 C ATOM 565 C THR A 33 1.184 -6.941 -3.782 1.00 5.44 C ATOM 566 O THR A 33 2.140 -6.156 -3.798 1.00 40.24 O ATOM 567 CB THR A 33 0.827 -7.001 -6.292 1.00 3.21 C ATOM 568 OG1 THR A 33 -0.162 -6.948 -7.332 1.00 30.35 O ATOM 569 CG2 THR A 33 1.652 -8.292 -6.442 1.00 64.14 C ATOM 0 H THR A 33 -0.037 -4.835 -4.547 1.00 51.43 H new ATOM 0 HA THR A 33 -0.562 -7.728 -4.788 1.00 41.52 H new ATOM 0 HB THR A 33 1.514 -6.159 -6.374 1.00 3.21 H new ATOM 0 HG1 THR A 33 0.278 -7.015 -8.205 1.00 30.35 H new ATOM 0 HG21 THR A 33 2.112 -8.317 -7.430 1.00 64.14 H new ATOM 0 HG22 THR A 33 2.429 -8.318 -5.678 1.00 64.14 H new ATOM 0 HG23 THR A 33 0.999 -9.157 -6.324 1.00 64.14 H new ATOM 577 N GLU A 34 0.999 -7.851 -2.822 1.00 4.13 N ATOM 578 CA GLU A 34 1.979 -8.089 -1.759 1.00 2.42 C ATOM 579 C GLU A 34 2.975 -9.141 -2.275 1.00 54.42 C ATOM 580 O GLU A 34 2.580 -10.251 -2.647 1.00 13.22 O ATOM 581 CB GLU A 34 1.250 -8.541 -0.451 1.00 53.15 C ATOM 582 CG GLU A 34 2.093 -8.452 0.854 1.00 75.23 C ATOM 583 CD GLU A 34 3.237 -9.486 0.959 1.00 71.35 C ATOM 584 OE1 GLU A 34 2.926 -10.697 1.022 1.00 52.23 O ATOM 585 OE2 GLU A 34 4.429 -9.106 0.944 1.00 21.54 O ATOM 0 H GLU A 34 0.169 -8.441 -2.760 1.00 4.13 H new ATOM 0 HA GLU A 34 2.525 -7.180 -1.507 1.00 2.42 H new ATOM 0 HB2 GLU A 34 0.355 -7.932 -0.326 1.00 53.15 H new ATOM 0 HB3 GLU A 34 0.919 -9.572 -0.579 1.00 53.15 H new ATOM 0 HG2 GLU A 34 2.519 -7.451 0.927 1.00 75.23 H new ATOM 0 HG3 GLU A 34 1.428 -8.579 1.709 1.00 75.23 H new ATOM 592 N THR A 35 4.242 -8.752 -2.325 1.00 61.32 N ATOM 593 CA THR A 35 5.348 -9.574 -2.800 1.00 34.42 C ATOM 594 C THR A 35 6.490 -9.501 -1.776 1.00 50.24 C ATOM 595 O THR A 35 7.029 -8.424 -1.529 1.00 61.32 O ATOM 596 CB THR A 35 5.843 -9.048 -4.193 1.00 51.21 C ATOM 597 OG1 THR A 35 4.747 -9.032 -5.128 1.00 51.13 O ATOM 598 CG2 THR A 35 6.986 -9.895 -4.777 1.00 52.30 C ATOM 0 H THR A 35 4.539 -7.823 -2.026 1.00 61.32 H new ATOM 0 HA THR A 35 5.020 -10.607 -2.915 1.00 34.42 H new ATOM 0 HB THR A 35 6.226 -8.041 -4.031 1.00 51.21 H new ATOM 0 HG1 THR A 35 5.062 -8.701 -5.995 1.00 51.13 H new ATOM 0 HG21 THR A 35 7.287 -9.484 -5.741 1.00 52.30 H new ATOM 0 HG22 THR A 35 7.836 -9.880 -4.094 1.00 52.30 H new ATOM 0 HG23 THR A 35 6.646 -10.922 -4.911 1.00 52.30 H new ATOM 606 N THR A 36 6.818 -10.633 -1.144 1.00 4.32 N ATOM 607 CA THR A 36 8.008 -10.729 -0.299 1.00 22.25 C ATOM 608 C THR A 36 9.213 -11.018 -1.203 1.00 74.10 C ATOM 609 O THR A 36 9.414 -12.154 -1.641 1.00 14.13 O ATOM 610 CB THR A 36 7.840 -11.834 0.790 1.00 41.10 C ATOM 611 OG1 THR A 36 6.639 -11.576 1.541 1.00 12.04 O ATOM 612 CG2 THR A 36 9.041 -11.889 1.758 1.00 1.41 C ATOM 0 H THR A 36 6.275 -11.494 -1.203 1.00 4.32 H new ATOM 0 HA THR A 36 8.161 -9.789 0.232 1.00 22.25 H new ATOM 0 HB THR A 36 7.782 -12.796 0.281 1.00 41.10 H new ATOM 0 HG1 THR A 36 6.527 -12.268 2.226 1.00 12.04 H new ATOM 0 HG21 THR A 36 8.877 -12.673 2.497 1.00 1.41 H new ATOM 0 HG22 THR A 36 9.951 -12.103 1.197 1.00 1.41 H new ATOM 0 HG23 THR A 36 9.145 -10.929 2.264 1.00 1.41 H new ATOM 620 N ARG A 37 9.976 -9.968 -1.518 1.00 61.13 N ATOM 621 CA ARG A 37 11.128 -10.054 -2.427 1.00 3.33 C ATOM 622 C ARG A 37 12.429 -9.891 -1.634 1.00 61.12 C ATOM 623 O ARG A 37 12.552 -8.964 -0.830 1.00 54.22 O ATOM 624 CB ARG A 37 11.018 -8.977 -3.545 1.00 1.00 C ATOM 625 CG ARG A 37 12.124 -9.033 -4.636 1.00 44.33 C ATOM 626 CD ARG A 37 12.001 -10.232 -5.608 1.00 71.21 C ATOM 627 NE ARG A 37 12.054 -11.552 -4.937 1.00 70.22 N ATOM 628 CZ ARG A 37 13.048 -12.449 -5.042 1.00 3.24 C ATOM 629 NH1 ARG A 37 14.110 -12.217 -5.816 1.00 23.01 N ATOM 630 NH2 ARG A 37 12.970 -13.580 -4.358 1.00 55.11 N ATOM 0 H ARG A 37 9.814 -9.031 -1.150 1.00 61.13 H new ATOM 0 HA ARG A 37 11.134 -11.034 -2.904 1.00 3.33 H new ATOM 0 HB2 ARG A 37 10.047 -9.079 -4.030 1.00 1.00 H new ATOM 0 HB3 ARG A 37 11.040 -7.991 -3.080 1.00 1.00 H new ATOM 0 HG2 ARG A 37 12.096 -8.109 -5.213 1.00 44.33 H new ATOM 0 HG3 ARG A 37 13.098 -9.075 -4.148 1.00 44.33 H new ATOM 0 HD2 ARG A 37 11.062 -10.150 -6.155 1.00 71.21 H new ATOM 0 HD3 ARG A 37 12.804 -10.176 -6.343 1.00 71.21 H new ATOM 0 HE ARG A 37 11.264 -11.802 -4.342 1.00 70.22 H new ATOM 0 HH11 ARG A 37 14.177 -11.345 -6.342 1.00 23.01 H new ATOM 0 HH12 ARG A 37 14.854 -12.911 -5.882 1.00 23.01 H new ATOM 0 HH21 ARG A 37 12.163 -13.761 -3.761 1.00 55.11 H new ATOM 0 HH22 ARG A 37 13.717 -14.271 -4.428 1.00 55.11 H new ATOM 644 N ASN A 38 13.381 -10.832 -1.856 1.00 2.12 N ATOM 645 CA ASN A 38 14.746 -10.815 -1.256 1.00 3.24 C ATOM 646 C ASN A 38 14.705 -10.982 0.277 1.00 72.23 C ATOM 647 O ASN A 38 15.695 -10.706 0.971 1.00 42.42 O ATOM 648 CB ASN A 38 15.507 -9.510 -1.645 1.00 22.43 C ATOM 649 CG ASN A 38 15.569 -9.271 -3.153 1.00 13.34 C ATOM 650 OD1 ASN A 38 15.686 -10.208 -3.945 1.00 20.31 O ATOM 651 ND2 ASN A 38 15.427 -8.029 -3.560 1.00 52.15 N ATOM 0 H ASN A 38 13.224 -11.636 -2.464 1.00 2.12 H new ATOM 0 HA ASN A 38 15.287 -11.669 -1.663 1.00 3.24 H new ATOM 0 HB2 ASN A 38 15.020 -8.659 -1.169 1.00 22.43 H new ATOM 0 HB3 ASN A 38 16.522 -9.558 -1.250 1.00 22.43 H new ATOM 0 HD21 ASN A 38 15.411 -7.818 -4.558 1.00 52.15 H new ATOM 0 HD22 ASN A 38 15.333 -7.276 -2.878 1.00 52.15 H new ATOM 658 N GLY A 39 13.561 -11.475 0.786 1.00 3.23 N ATOM 659 CA GLY A 39 13.343 -11.664 2.220 1.00 22.03 C ATOM 660 C GLY A 39 12.503 -10.557 2.842 1.00 3.21 C ATOM 661 O GLY A 39 11.885 -10.773 3.893 1.00 43.32 O ATOM 0 H GLY A 39 12.766 -11.751 0.210 1.00 3.23 H new ATOM 0 HA2 GLY A 39 12.851 -12.623 2.384 1.00 22.03 H new ATOM 0 HA3 GLY A 39 14.307 -11.710 2.726 1.00 22.03 H new ATOM 665 N ARG A 40 12.478 -9.367 2.204 1.00 45.34 N ATOM 666 CA ARG A 40 11.707 -8.214 2.708 1.00 41.11 C ATOM 667 C ARG A 40 10.320 -8.189 2.064 1.00 4.50 C ATOM 668 O ARG A 40 10.166 -8.501 0.880 1.00 44.32 O ATOM 669 CB ARG A 40 12.441 -6.863 2.472 1.00 4.34 C ATOM 670 CG ARG A 40 12.521 -6.381 1.000 1.00 21.44 C ATOM 671 CD ARG A 40 13.276 -5.052 0.850 1.00 72.50 C ATOM 672 NE ARG A 40 14.688 -5.176 1.249 1.00 41.33 N ATOM 673 CZ ARG A 40 15.522 -4.152 1.493 1.00 62.50 C ATOM 674 NH1 ARG A 40 15.110 -2.887 1.397 1.00 33.24 N ATOM 675 NH2 ARG A 40 16.773 -4.411 1.848 1.00 33.30 N ATOM 0 H ARG A 40 12.984 -9.181 1.338 1.00 45.34 H new ATOM 0 HA ARG A 40 11.604 -8.336 3.786 1.00 41.11 H new ATOM 0 HB2 ARG A 40 11.940 -6.093 3.059 1.00 4.34 H new ATOM 0 HB3 ARG A 40 13.456 -6.951 2.860 1.00 4.34 H new ATOM 0 HG2 ARG A 40 13.015 -7.144 0.399 1.00 21.44 H new ATOM 0 HG3 ARG A 40 11.512 -6.267 0.604 1.00 21.44 H new ATOM 0 HD2 ARG A 40 13.219 -4.717 -0.186 1.00 72.50 H new ATOM 0 HD3 ARG A 40 12.792 -4.289 1.459 1.00 72.50 H new ATOM 0 HE ARG A 40 15.064 -6.119 1.348 1.00 41.33 H new ATOM 0 HH11 ARG A 40 14.146 -2.683 1.134 1.00 33.24 H new ATOM 0 HH12 ARG A 40 15.759 -2.123 1.586 1.00 33.24 H new ATOM 0 HH21 ARG A 40 17.090 -5.377 1.932 1.00 33.30 H new ATOM 0 HH22 ARG A 40 17.419 -3.644 2.037 1.00 33.30 H new ATOM 689 N ARG A 41 9.311 -7.827 2.851 1.00 21.01 N ATOM 690 CA ARG A 41 7.934 -7.732 2.373 1.00 10.12 C ATOM 691 C ARG A 41 7.669 -6.321 1.829 1.00 61.30 C ATOM 692 O ARG A 41 7.963 -5.319 2.506 1.00 31.12 O ATOM 693 CB ARG A 41 6.957 -8.099 3.512 1.00 63.14 C ATOM 694 CG ARG A 41 7.121 -9.538 4.030 1.00 2.52 C ATOM 695 CD ARG A 41 6.129 -9.911 5.138 1.00 13.24 C ATOM 696 NE ARG A 41 6.256 -11.342 5.500 1.00 44.51 N ATOM 697 CZ ARG A 41 6.720 -11.819 6.662 1.00 32.22 C ATOM 698 NH1 ARG A 41 7.123 -11.005 7.619 1.00 40.41 N ATOM 699 NH2 ARG A 41 6.784 -13.128 6.851 1.00 14.24 N ATOM 0 H ARG A 41 9.424 -7.591 3.837 1.00 21.01 H new ATOM 0 HA ARG A 41 7.776 -8.439 1.559 1.00 10.12 H new ATOM 0 HB2 ARG A 41 7.102 -7.406 4.340 1.00 63.14 H new ATOM 0 HB3 ARG A 41 5.935 -7.964 3.159 1.00 63.14 H new ATOM 0 HG2 ARG A 41 6.999 -10.231 3.197 1.00 2.52 H new ATOM 0 HG3 ARG A 41 8.136 -9.666 4.405 1.00 2.52 H new ATOM 0 HD2 ARG A 41 6.309 -9.292 6.017 1.00 13.24 H new ATOM 0 HD3 ARG A 41 5.112 -9.704 4.806 1.00 13.24 H new ATOM 0 HE ARG A 41 5.964 -12.025 4.801 1.00 44.51 H new ATOM 0 HH11 ARG A 41 7.084 -9.995 7.480 1.00 40.41 H new ATOM 0 HH12 ARG A 41 7.474 -11.385 8.498 1.00 40.41 H new ATOM 0 HH21 ARG A 41 6.481 -13.765 6.114 1.00 14.24 H new ATOM 0 HH22 ARG A 41 7.136 -13.499 7.733 1.00 14.24 H new ATOM 713 N GLN A 42 7.112 -6.259 0.611 1.00 33.13 N ATOM 714 CA GLN A 42 6.741 -5.004 -0.063 1.00 21.41 C ATOM 715 C GLN A 42 5.365 -5.161 -0.728 1.00 52.31 C ATOM 716 O GLN A 42 4.957 -6.274 -1.046 1.00 12.30 O ATOM 717 CB GLN A 42 7.837 -4.586 -1.077 1.00 21.53 C ATOM 718 CG GLN A 42 8.183 -5.634 -2.153 1.00 45.33 C ATOM 719 CD GLN A 42 9.355 -5.209 -3.037 1.00 5.31 C ATOM 720 OE1 GLN A 42 10.513 -5.498 -2.739 1.00 32.21 O ATOM 721 NE2 GLN A 42 9.060 -4.505 -4.115 1.00 64.30 N ATOM 0 H GLN A 42 6.903 -7.090 0.058 1.00 33.13 H new ATOM 0 HA GLN A 42 6.667 -4.203 0.672 1.00 21.41 H new ATOM 0 HB2 GLN A 42 7.516 -3.672 -1.576 1.00 21.53 H new ATOM 0 HB3 GLN A 42 8.745 -4.345 -0.524 1.00 21.53 H new ATOM 0 HG2 GLN A 42 8.424 -6.580 -1.668 1.00 45.33 H new ATOM 0 HG3 GLN A 42 7.307 -5.810 -2.778 1.00 45.33 H new ATOM 0 HE21 GLN A 42 8.088 -4.285 -4.330 1.00 64.30 H new ATOM 0 HE22 GLN A 42 9.805 -4.182 -4.733 1.00 64.30 H new ATOM 730 N LEU A 43 4.640 -4.044 -0.918 1.00 71.02 N ATOM 731 CA LEU A 43 3.253 -4.067 -1.428 1.00 42.13 C ATOM 732 C LEU A 43 3.109 -2.963 -2.490 1.00 41.43 C ATOM 733 O LEU A 43 3.170 -1.778 -2.159 1.00 53.25 O ATOM 734 CB LEU A 43 2.244 -3.860 -0.237 1.00 44.21 C ATOM 735 CG LEU A 43 0.871 -4.617 -0.310 1.00 41.22 C ATOM 736 CD1 LEU A 43 0.032 -4.385 0.969 1.00 13.30 C ATOM 737 CD2 LEU A 43 0.069 -4.250 -1.569 1.00 34.43 C ATOM 0 H LEU A 43 4.993 -3.107 -0.725 1.00 71.02 H new ATOM 0 HA LEU A 43 3.026 -5.030 -1.886 1.00 42.13 H new ATOM 0 HB2 LEU A 43 2.745 -4.160 0.684 1.00 44.21 H new ATOM 0 HB3 LEU A 43 2.036 -2.793 -0.154 1.00 44.21 H new ATOM 0 HG LEU A 43 1.102 -5.680 -0.376 1.00 41.22 H new ATOM 0 HD11 LEU A 43 -0.913 -4.923 0.887 1.00 13.30 H new ATOM 0 HD12 LEU A 43 0.583 -4.749 1.836 1.00 13.30 H new ATOM 0 HD13 LEU A 43 -0.166 -3.320 1.086 1.00 13.30 H new ATOM 0 HD21 LEU A 43 -0.872 -4.799 -1.574 1.00 34.43 H new ATOM 0 HD22 LEU A 43 -0.136 -3.179 -1.571 1.00 34.43 H new ATOM 0 HD23 LEU A 43 0.646 -4.511 -2.457 1.00 34.43 H new ATOM 749 N THR A 44 2.950 -3.367 -3.760 1.00 54.53 N ATOM 750 CA THR A 44 2.724 -2.442 -4.873 1.00 74.12 C ATOM 751 C THR A 44 1.210 -2.210 -5.058 1.00 75.54 C ATOM 752 O THR A 44 0.495 -3.082 -5.556 1.00 52.23 O ATOM 753 CB THR A 44 3.357 -3.010 -6.190 1.00 53.04 C ATOM 754 OG1 THR A 44 4.753 -3.279 -5.961 1.00 51.34 O ATOM 755 CG2 THR A 44 3.223 -2.040 -7.387 1.00 64.11 C ATOM 0 H THR A 44 2.975 -4.347 -4.041 1.00 54.53 H new ATOM 0 HA THR A 44 3.202 -1.489 -4.647 1.00 74.12 H new ATOM 0 HB THR A 44 2.814 -3.920 -6.445 1.00 53.04 H new ATOM 0 HG1 THR A 44 5.118 -3.781 -6.719 1.00 51.34 H new ATOM 0 HG21 THR A 44 3.679 -2.487 -8.270 1.00 64.11 H new ATOM 0 HG22 THR A 44 2.168 -1.846 -7.582 1.00 64.11 H new ATOM 0 HG23 THR A 44 3.727 -1.102 -7.154 1.00 64.11 H new ATOM 763 N ILE A 45 0.750 -1.043 -4.605 1.00 71.11 N ATOM 764 CA ILE A 45 -0.617 -0.546 -4.809 1.00 73.03 C ATOM 765 C ILE A 45 -0.571 0.513 -5.918 1.00 1.41 C ATOM 766 O ILE A 45 0.336 1.347 -5.929 1.00 63.23 O ATOM 767 CB ILE A 45 -1.198 0.097 -3.488 1.00 33.12 C ATOM 768 CG1 ILE A 45 -1.119 -0.921 -2.310 1.00 11.41 C ATOM 769 CG2 ILE A 45 -2.651 0.609 -3.694 1.00 64.03 C ATOM 770 CD1 ILE A 45 -1.609 -0.409 -0.973 1.00 2.33 C ATOM 0 H ILE A 45 1.332 -0.397 -4.071 1.00 71.11 H new ATOM 0 HA ILE A 45 -1.266 -1.377 -5.085 1.00 73.03 H new ATOM 0 HB ILE A 45 -0.586 0.963 -3.236 1.00 33.12 H new ATOM 0 HG12 ILE A 45 -1.700 -1.804 -2.576 1.00 11.41 H new ATOM 0 HG13 ILE A 45 -0.083 -1.242 -2.199 1.00 11.41 H new ATOM 0 HG21 ILE A 45 -3.018 1.045 -2.765 1.00 64.03 H new ATOM 0 HG22 ILE A 45 -2.662 1.365 -4.479 1.00 64.03 H new ATOM 0 HG23 ILE A 45 -3.293 -0.223 -3.983 1.00 64.03 H new ATOM 0 HD11 ILE A 45 -1.511 -1.195 -0.224 1.00 2.33 H new ATOM 0 HD12 ILE A 45 -1.014 0.454 -0.674 1.00 2.33 H new ATOM 0 HD13 ILE A 45 -2.656 -0.117 -1.057 1.00 2.33 H new ATOM 782 N ARG A 46 -1.517 0.464 -6.864 1.00 44.22 N ATOM 783 CA ARG A 46 -1.647 1.479 -7.923 1.00 52.54 C ATOM 784 C ARG A 46 -3.109 1.899 -8.054 1.00 52.40 C ATOM 785 O ARG A 46 -4.025 1.105 -7.802 1.00 52.35 O ATOM 786 CB ARG A 46 -1.103 0.957 -9.282 1.00 51.43 C ATOM 787 CG ARG A 46 0.421 0.721 -9.316 1.00 43.04 C ATOM 788 CD ARG A 46 0.938 0.376 -10.719 1.00 73.44 C ATOM 789 NE ARG A 46 0.259 -0.800 -11.288 1.00 44.52 N ATOM 790 CZ ARG A 46 0.375 -1.227 -12.553 1.00 40.03 C ATOM 791 NH1 ARG A 46 1.149 -0.584 -13.424 1.00 32.10 N ATOM 792 NH2 ARG A 46 -0.273 -2.319 -12.930 1.00 42.02 N ATOM 0 H ARG A 46 -2.214 -0.278 -6.919 1.00 44.22 H new ATOM 0 HA ARG A 46 -1.047 2.345 -7.644 1.00 52.54 H new ATOM 0 HB2 ARG A 46 -1.608 0.022 -9.525 1.00 51.43 H new ATOM 0 HB3 ARG A 46 -1.364 1.672 -10.062 1.00 51.43 H new ATOM 0 HG2 ARG A 46 0.931 1.615 -8.956 1.00 43.04 H new ATOM 0 HG3 ARG A 46 0.674 -0.088 -8.631 1.00 43.04 H new ATOM 0 HD2 ARG A 46 0.793 1.232 -11.378 1.00 73.44 H new ATOM 0 HD3 ARG A 46 2.011 0.187 -10.673 1.00 73.44 H new ATOM 0 HE ARG A 46 -0.350 -1.334 -10.668 1.00 44.52 H new ATOM 0 HH11 ARG A 46 1.664 0.246 -13.132 1.00 32.10 H new ATOM 0 HH12 ARG A 46 1.227 -0.922 -14.383 1.00 32.10 H new ATOM 0 HH21 ARG A 46 -0.852 -2.825 -12.260 1.00 42.02 H new ATOM 0 HH22 ARG A 46 -0.193 -2.654 -13.890 1.00 42.02 H new ATOM 806 N SER A 47 -3.310 3.155 -8.454 1.00 14.33 N ATOM 807 CA SER A 47 -4.636 3.739 -8.657 1.00 73.32 C ATOM 808 C SER A 47 -4.588 4.698 -9.850 1.00 72.05 C ATOM 809 O SER A 47 -3.559 5.342 -10.103 1.00 3.05 O ATOM 810 CB SER A 47 -5.090 4.476 -7.372 1.00 21.42 C ATOM 811 OG SER A 47 -6.300 5.187 -7.565 1.00 32.44 O ATOM 0 H SER A 47 -2.547 3.803 -8.649 1.00 14.33 H new ATOM 0 HA SER A 47 -5.359 2.951 -8.869 1.00 73.32 H new ATOM 0 HB2 SER A 47 -5.219 3.753 -6.566 1.00 21.42 H new ATOM 0 HB3 SER A 47 -4.309 5.168 -7.057 1.00 21.42 H new ATOM 0 HG SER A 47 -6.121 6.150 -7.538 1.00 32.44 H new ATOM 817 N ASN A 48 -5.707 4.759 -10.582 1.00 51.53 N ATOM 818 CA ASN A 48 -5.887 5.690 -11.714 1.00 13.01 C ATOM 819 C ASN A 48 -6.194 7.111 -11.195 1.00 42.14 C ATOM 820 O ASN A 48 -5.926 8.103 -11.879 1.00 72.33 O ATOM 821 CB ASN A 48 -7.039 5.191 -12.645 1.00 72.24 C ATOM 822 CG ASN A 48 -8.452 5.387 -12.060 1.00 52.30 C ATOM 823 OD1 ASN A 48 -9.107 6.401 -12.310 1.00 23.20 O ATOM 824 ND2 ASN A 48 -8.917 4.451 -11.252 1.00 52.24 N ATOM 0 H ASN A 48 -6.518 4.165 -10.409 1.00 51.53 H new ATOM 0 HA ASN A 48 -4.962 5.723 -12.290 1.00 13.01 H new ATOM 0 HB2 ASN A 48 -6.976 5.718 -13.597 1.00 72.24 H new ATOM 0 HB3 ASN A 48 -6.888 4.132 -12.856 1.00 72.24 H new ATOM 0 HD21 ASN A 48 -9.835 4.559 -10.821 1.00 52.24 H new ATOM 0 HD22 ASN A 48 -8.358 3.620 -11.059 1.00 52.24 H new ATOM 831 N ASP A 49 -6.751 7.181 -9.976 1.00 23.11 N ATOM 832 CA ASP A 49 -7.320 8.407 -9.404 1.00 64.52 C ATOM 833 C ASP A 49 -6.392 8.984 -8.324 1.00 11.04 C ATOM 834 O ASP A 49 -5.799 8.226 -7.544 1.00 11.24 O ATOM 835 CB ASP A 49 -8.708 8.088 -8.797 1.00 20.55 C ATOM 836 CG ASP A 49 -9.430 9.351 -8.303 1.00 11.12 C ATOM 837 OD1 ASP A 49 -9.992 10.094 -9.133 1.00 65.42 O ATOM 838 OD2 ASP A 49 -9.401 9.625 -7.095 1.00 33.12 O ATOM 0 H ASP A 49 -6.819 6.376 -9.353 1.00 23.11 H new ATOM 0 HA ASP A 49 -7.426 9.152 -10.193 1.00 64.52 H new ATOM 0 HB2 ASP A 49 -9.324 7.589 -9.545 1.00 20.55 H new ATOM 0 HB3 ASP A 49 -8.588 7.392 -7.967 1.00 20.55 H new ATOM 843 N LYS A 50 -6.309 10.331 -8.270 1.00 54.24 N ATOM 844 CA LYS A 50 -5.445 11.042 -7.325 1.00 35.35 C ATOM 845 C LYS A 50 -5.978 10.961 -5.875 1.00 13.24 C ATOM 846 O LYS A 50 -5.187 10.745 -4.956 1.00 44.03 O ATOM 847 CB LYS A 50 -5.227 12.523 -7.759 1.00 15.45 C ATOM 848 CG LYS A 50 -4.329 13.340 -6.794 1.00 23.02 C ATOM 849 CD LYS A 50 -2.929 12.703 -6.592 1.00 52.43 C ATOM 850 CE LYS A 50 -2.189 13.266 -5.371 1.00 2.54 C ATOM 851 NZ LYS A 50 -0.879 12.591 -5.166 1.00 44.21 N ATOM 0 H LYS A 50 -6.842 10.948 -8.883 1.00 54.24 H new ATOM 0 HA LYS A 50 -4.478 10.540 -7.342 1.00 35.35 H new ATOM 0 HB2 LYS A 50 -4.780 12.537 -8.753 1.00 15.45 H new ATOM 0 HB3 LYS A 50 -6.197 13.014 -7.838 1.00 15.45 H new ATOM 0 HG2 LYS A 50 -4.210 14.351 -7.184 1.00 23.02 H new ATOM 0 HG3 LYS A 50 -4.826 13.427 -5.828 1.00 23.02 H new ATOM 0 HD2 LYS A 50 -3.039 11.624 -6.479 1.00 52.43 H new ATOM 0 HD3 LYS A 50 -2.327 12.870 -7.485 1.00 52.43 H new ATOM 0 HE2 LYS A 50 -2.031 14.336 -5.502 1.00 2.54 H new ATOM 0 HE3 LYS A 50 -2.806 13.142 -4.481 1.00 2.54 H new ATOM 0 HZ1 LYS A 50 -0.406 12.996 -4.333 1.00 44.21 H new ATOM 0 HZ2 LYS A 50 -1.033 11.573 -5.016 1.00 44.21 H new ATOM 0 HZ3 LYS A 50 -0.281 12.731 -6.005 1.00 44.21 H new ATOM 865 N ASN A 51 -7.303 11.116 -5.679 1.00 21.12 N ATOM 866 CA ASN A 51 -7.918 11.081 -4.324 1.00 72.10 C ATOM 867 C ASN A 51 -7.684 9.710 -3.678 1.00 62.02 C ATOM 868 O ASN A 51 -7.240 9.624 -2.534 1.00 65.05 O ATOM 869 CB ASN A 51 -9.440 11.364 -4.369 1.00 52.05 C ATOM 870 CG ASN A 51 -9.785 12.683 -5.050 1.00 51.51 C ATOM 871 OD1 ASN A 51 -9.872 13.727 -4.405 1.00 53.31 O ATOM 872 ND2 ASN A 51 -9.980 12.646 -6.363 1.00 30.51 N ATOM 0 H ASN A 51 -7.971 11.266 -6.435 1.00 21.12 H new ATOM 0 HA ASN A 51 -7.443 11.865 -3.734 1.00 72.10 H new ATOM 0 HB2 ASN A 51 -9.939 10.550 -4.894 1.00 52.05 H new ATOM 0 HB3 ASN A 51 -9.831 11.374 -3.352 1.00 52.05 H new ATOM 0 HD21 ASN A 51 -10.210 13.501 -6.869 1.00 30.51 H new ATOM 0 HD22 ASN A 51 -9.900 11.762 -6.866 1.00 30.51 H new ATOM 879 N GLU A 52 -7.967 8.650 -4.449 1.00 23.45 N ATOM 880 CA GLU A 52 -7.766 7.265 -4.012 1.00 45.31 C ATOM 881 C GLU A 52 -6.296 7.000 -3.643 1.00 42.34 C ATOM 882 O GLU A 52 -6.015 6.588 -2.513 1.00 34.44 O ATOM 883 CB GLU A 52 -8.278 6.263 -5.097 1.00 54.31 C ATOM 884 CG GLU A 52 -9.784 5.917 -5.007 1.00 42.52 C ATOM 885 CD GLU A 52 -10.737 7.098 -5.277 1.00 53.41 C ATOM 886 OE1 GLU A 52 -11.029 7.883 -4.346 1.00 44.52 O ATOM 887 OE2 GLU A 52 -11.223 7.229 -6.415 1.00 51.25 O ATOM 0 H GLU A 52 -8.342 8.731 -5.394 1.00 23.45 H new ATOM 0 HA GLU A 52 -8.355 7.107 -3.109 1.00 45.31 H new ATOM 0 HB2 GLU A 52 -8.075 6.682 -6.082 1.00 54.31 H new ATOM 0 HB3 GLU A 52 -7.703 5.340 -5.019 1.00 54.31 H new ATOM 0 HG2 GLU A 52 -10.003 5.122 -5.720 1.00 42.52 H new ATOM 0 HG3 GLU A 52 -9.992 5.520 -4.013 1.00 42.52 H new ATOM 894 N VAL A 53 -5.366 7.298 -4.566 1.00 61.01 N ATOM 895 CA VAL A 53 -3.930 6.994 -4.362 1.00 61.15 C ATOM 896 C VAL A 53 -3.315 7.841 -3.211 1.00 12.34 C ATOM 897 O VAL A 53 -2.372 7.406 -2.555 1.00 53.42 O ATOM 898 CB VAL A 53 -3.109 7.159 -5.698 1.00 1.25 C ATOM 899 CG1 VAL A 53 -2.871 8.636 -6.072 1.00 43.03 C ATOM 900 CG2 VAL A 53 -1.793 6.358 -5.645 1.00 24.44 C ATOM 0 H VAL A 53 -5.576 7.747 -5.458 1.00 61.01 H new ATOM 0 HA VAL A 53 -3.865 5.948 -4.062 1.00 61.15 H new ATOM 0 HB VAL A 53 -3.719 6.741 -6.499 1.00 1.25 H new ATOM 0 HG11 VAL A 53 -2.301 8.689 -7.000 1.00 43.03 H new ATOM 0 HG12 VAL A 53 -3.830 9.136 -6.206 1.00 43.03 H new ATOM 0 HG13 VAL A 53 -2.313 9.128 -5.275 1.00 43.03 H new ATOM 0 HG21 VAL A 53 -1.248 6.491 -6.580 1.00 24.44 H new ATOM 0 HG22 VAL A 53 -1.183 6.715 -4.815 1.00 24.44 H new ATOM 0 HG23 VAL A 53 -2.016 5.301 -5.502 1.00 24.44 H new ATOM 910 N ASP A 54 -3.891 9.032 -2.962 1.00 72.31 N ATOM 911 CA ASP A 54 -3.462 9.933 -1.869 1.00 1.55 C ATOM 912 C ASP A 54 -3.932 9.385 -0.509 1.00 54.24 C ATOM 913 O ASP A 54 -3.174 9.353 0.467 1.00 43.44 O ATOM 914 CB ASP A 54 -4.032 11.361 -2.098 1.00 52.34 C ATOM 915 CG ASP A 54 -3.665 12.356 -0.978 1.00 40.51 C ATOM 916 OD1 ASP A 54 -2.483 12.766 -0.903 1.00 13.21 O ATOM 917 OD2 ASP A 54 -4.549 12.728 -0.169 1.00 3.05 O ATOM 0 H ASP A 54 -4.668 9.399 -3.512 1.00 72.31 H new ATOM 0 HA ASP A 54 -2.373 9.985 -1.866 1.00 1.55 H new ATOM 0 HB2 ASP A 54 -3.661 11.744 -3.049 1.00 52.34 H new ATOM 0 HB3 ASP A 54 -5.117 11.302 -2.179 1.00 52.34 H new ATOM 922 N ARG A 55 -5.198 8.940 -0.480 1.00 42.53 N ATOM 923 CA ARG A 55 -5.844 8.428 0.741 1.00 63.52 C ATOM 924 C ARG A 55 -5.277 7.065 1.160 1.00 55.14 C ATOM 925 O ARG A 55 -5.238 6.778 2.343 1.00 72.42 O ATOM 926 CB ARG A 55 -7.395 8.363 0.583 1.00 1.34 C ATOM 927 CG ARG A 55 -8.155 9.631 1.053 1.00 20.32 C ATOM 928 CD ARG A 55 -7.727 10.911 0.309 1.00 73.34 C ATOM 929 NE ARG A 55 -8.559 12.063 0.664 1.00 64.31 N ATOM 930 CZ ARG A 55 -9.703 12.404 0.056 1.00 74.14 C ATOM 931 NH1 ARG A 55 -10.192 11.683 -0.951 1.00 72.32 N ATOM 932 NH2 ARG A 55 -10.356 13.471 0.466 1.00 11.35 N ATOM 0 H ARG A 55 -5.803 8.925 -1.301 1.00 42.53 H new ATOM 0 HA ARG A 55 -5.618 9.135 1.539 1.00 63.52 H new ATOM 0 HB2 ARG A 55 -7.631 8.184 -0.466 1.00 1.34 H new ATOM 0 HB3 ARG A 55 -7.767 7.506 1.144 1.00 1.34 H new ATOM 0 HG2 ARG A 55 -9.225 9.478 0.912 1.00 20.32 H new ATOM 0 HG3 ARG A 55 -7.991 9.769 2.122 1.00 20.32 H new ATOM 0 HD2 ARG A 55 -6.685 11.132 0.541 1.00 73.34 H new ATOM 0 HD3 ARG A 55 -7.785 10.741 -0.766 1.00 73.34 H new ATOM 0 HE ARG A 55 -8.243 12.652 1.435 1.00 64.31 H new ATOM 0 HH11 ARG A 55 -9.694 10.853 -1.273 1.00 72.32 H new ATOM 0 HH12 ARG A 55 -11.065 11.960 -1.400 1.00 72.32 H new ATOM 0 HH21 ARG A 55 -9.990 14.028 1.238 1.00 11.35 H new ATOM 0 HH22 ARG A 55 -11.228 13.741 0.011 1.00 11.35 H new ATOM 946 N ILE A 56 -4.849 6.232 0.191 1.00 32.24 N ATOM 947 CA ILE A 56 -4.207 4.931 0.487 1.00 34.11 C ATOM 948 C ILE A 56 -2.751 5.167 0.943 1.00 53.23 C ATOM 949 O ILE A 56 -2.238 4.468 1.834 1.00 33.52 O ATOM 950 CB ILE A 56 -4.240 3.969 -0.761 1.00 34.13 C ATOM 951 CG1 ILE A 56 -5.704 3.733 -1.252 1.00 54.20 C ATOM 952 CG2 ILE A 56 -3.552 2.618 -0.442 1.00 13.43 C ATOM 953 CD1 ILE A 56 -5.809 3.055 -2.609 1.00 23.14 C ATOM 0 H ILE A 56 -4.935 6.435 -0.805 1.00 32.24 H new ATOM 0 HA ILE A 56 -4.768 4.447 1.287 1.00 34.11 H new ATOM 0 HB ILE A 56 -3.685 4.454 -1.564 1.00 34.13 H new ATOM 0 HG12 ILE A 56 -6.228 3.126 -0.514 1.00 54.20 H new ATOM 0 HG13 ILE A 56 -6.218 4.693 -1.298 1.00 54.20 H new ATOM 0 HG21 ILE A 56 -3.590 1.974 -1.321 1.00 13.43 H new ATOM 0 HG22 ILE A 56 -2.512 2.795 -0.166 1.00 13.43 H new ATOM 0 HG23 ILE A 56 -4.069 2.133 0.386 1.00 13.43 H new ATOM 0 HD11 ILE A 56 -6.859 2.930 -2.873 1.00 23.14 H new ATOM 0 HD12 ILE A 56 -5.316 3.670 -3.362 1.00 23.14 H new ATOM 0 HD13 ILE A 56 -5.327 2.078 -2.566 1.00 23.14 H new ATOM 965 N LEU A 57 -2.112 6.185 0.327 1.00 65.15 N ATOM 966 CA LEU A 57 -0.740 6.611 0.659 1.00 4.25 C ATOM 967 C LEU A 57 -0.637 7.036 2.134 1.00 65.04 C ATOM 968 O LEU A 57 0.310 6.659 2.836 1.00 74.00 O ATOM 969 CB LEU A 57 -0.298 7.775 -0.269 1.00 53.21 C ATOM 970 CG LEU A 57 1.122 8.370 -0.014 1.00 53.00 C ATOM 971 CD1 LEU A 57 2.210 7.288 -0.102 1.00 72.40 C ATOM 972 CD2 LEU A 57 1.413 9.555 -0.957 1.00 32.42 C ATOM 0 H LEU A 57 -2.538 6.736 -0.418 1.00 65.15 H new ATOM 0 HA LEU A 57 -0.074 5.763 0.502 1.00 4.25 H new ATOM 0 HB2 LEU A 57 -0.340 7.424 -1.300 1.00 53.21 H new ATOM 0 HB3 LEU A 57 -1.027 8.580 -0.176 1.00 53.21 H new ATOM 0 HG LEU A 57 1.138 8.758 1.005 1.00 53.00 H new ATOM 0 HD11 LEU A 57 3.186 7.738 0.081 1.00 72.40 H new ATOM 0 HD12 LEU A 57 2.019 6.518 0.646 1.00 72.40 H new ATOM 0 HD13 LEU A 57 2.198 6.839 -1.095 1.00 72.40 H new ATOM 0 HD21 LEU A 57 2.410 9.946 -0.753 1.00 32.42 H new ATOM 0 HD22 LEU A 57 1.360 9.218 -1.992 1.00 32.42 H new ATOM 0 HD23 LEU A 57 0.675 10.340 -0.793 1.00 32.42 H new ATOM 984 N GLU A 58 -1.628 7.811 2.595 1.00 73.15 N ATOM 985 CA GLU A 58 -1.698 8.235 3.999 1.00 2.11 C ATOM 986 C GLU A 58 -2.235 7.096 4.879 1.00 20.21 C ATOM 987 O GLU A 58 -1.855 7.009 6.040 1.00 54.21 O ATOM 988 CB GLU A 58 -2.575 9.503 4.170 1.00 34.30 C ATOM 989 CG GLU A 58 -4.077 9.306 3.867 1.00 33.11 C ATOM 990 CD GLU A 58 -4.954 10.514 4.217 1.00 75.21 C ATOM 991 OE1 GLU A 58 -5.172 10.754 5.426 1.00 2.13 O ATOM 992 OE2 GLU A 58 -5.444 11.211 3.301 1.00 1.44 O ATOM 0 H GLU A 58 -2.393 8.157 2.015 1.00 73.15 H new ATOM 0 HA GLU A 58 -0.686 8.483 4.318 1.00 2.11 H new ATOM 0 HB2 GLU A 58 -2.471 9.863 5.194 1.00 34.30 H new ATOM 0 HB3 GLU A 58 -2.188 10.285 3.516 1.00 34.30 H new ATOM 0 HG2 GLU A 58 -4.196 9.080 2.807 1.00 33.11 H new ATOM 0 HG3 GLU A 58 -4.437 8.438 4.420 1.00 33.11 H new ATOM 999 N GLU A 59 -3.093 6.213 4.300 1.00 51.20 N ATOM 1000 CA GLU A 59 -3.814 5.165 5.066 1.00 71.10 C ATOM 1001 C GLU A 59 -2.862 4.145 5.685 1.00 1.43 C ATOM 1002 O GLU A 59 -3.017 3.775 6.849 1.00 33.31 O ATOM 1003 CB GLU A 59 -4.848 4.419 4.188 1.00 14.21 C ATOM 1004 CG GLU A 59 -5.780 3.472 4.965 1.00 4.42 C ATOM 1005 CD GLU A 59 -6.637 4.202 6.020 1.00 23.32 C ATOM 1006 OE1 GLU A 59 -7.666 4.811 5.648 1.00 62.13 O ATOM 1007 OE2 GLU A 59 -6.290 4.176 7.220 1.00 24.52 O ATOM 0 H GLU A 59 -3.301 6.208 3.301 1.00 51.20 H new ATOM 0 HA GLU A 59 -4.335 5.690 5.866 1.00 71.10 H new ATOM 0 HB2 GLU A 59 -5.456 5.154 3.660 1.00 14.21 H new ATOM 0 HB3 GLU A 59 -4.315 3.844 3.431 1.00 14.21 H new ATOM 0 HG2 GLU A 59 -6.437 2.960 4.262 1.00 4.42 H new ATOM 0 HG3 GLU A 59 -5.182 2.706 5.458 1.00 4.42 H new ATOM 1014 N VAL A 60 -1.890 3.687 4.892 1.00 42.35 N ATOM 1015 CA VAL A 60 -0.830 2.790 5.377 1.00 52.15 C ATOM 1016 C VAL A 60 -0.031 3.432 6.528 1.00 75.12 C ATOM 1017 O VAL A 60 0.337 2.765 7.499 1.00 43.44 O ATOM 1018 CB VAL A 60 0.120 2.359 4.213 1.00 13.45 C ATOM 1019 CG1 VAL A 60 0.666 3.561 3.416 1.00 35.00 C ATOM 1020 CG2 VAL A 60 1.259 1.472 4.743 1.00 30.34 C ATOM 0 H VAL A 60 -1.813 3.923 3.903 1.00 42.35 H new ATOM 0 HA VAL A 60 -1.314 1.895 5.768 1.00 52.15 H new ATOM 0 HB VAL A 60 -0.476 1.774 3.513 1.00 13.45 H new ATOM 0 HG11 VAL A 60 1.320 3.203 2.620 1.00 35.00 H new ATOM 0 HG12 VAL A 60 -0.165 4.117 2.981 1.00 35.00 H new ATOM 0 HG13 VAL A 60 1.229 4.214 4.083 1.00 35.00 H new ATOM 0 HG21 VAL A 60 1.909 1.183 3.917 1.00 30.34 H new ATOM 0 HG22 VAL A 60 1.837 2.026 5.483 1.00 30.34 H new ATOM 0 HG23 VAL A 60 0.839 0.578 5.205 1.00 30.34 H new ATOM 1030 N ARG A 61 0.173 4.745 6.416 1.00 50.14 N ATOM 1031 CA ARG A 61 0.856 5.556 7.429 1.00 43.41 C ATOM 1032 C ARG A 61 -0.042 5.734 8.687 1.00 21.34 C ATOM 1033 O ARG A 61 0.475 5.879 9.799 1.00 1.10 O ATOM 1034 CB ARG A 61 1.247 6.908 6.774 1.00 41.25 C ATOM 1035 CG ARG A 61 2.283 6.775 5.632 1.00 33.31 C ATOM 1036 CD ARG A 61 2.483 8.084 4.843 1.00 21.15 C ATOM 1037 NE ARG A 61 2.885 9.217 5.700 1.00 13.15 N ATOM 1038 CZ ARG A 61 3.254 10.435 5.261 1.00 43.43 C ATOM 1039 NH1 ARG A 61 3.300 10.713 3.956 1.00 4.54 N ATOM 1040 NH2 ARG A 61 3.590 11.363 6.147 1.00 12.52 N ATOM 0 H ARG A 61 -0.136 5.285 5.607 1.00 50.14 H new ATOM 0 HA ARG A 61 1.762 5.061 7.777 1.00 43.41 H new ATOM 0 HB2 ARG A 61 0.348 7.384 6.382 1.00 41.25 H new ATOM 0 HB3 ARG A 61 1.649 7.569 7.541 1.00 41.25 H new ATOM 0 HG2 ARG A 61 3.239 6.461 6.051 1.00 33.31 H new ATOM 0 HG3 ARG A 61 1.962 5.990 4.947 1.00 33.31 H new ATOM 0 HD2 ARG A 61 3.242 7.928 4.077 1.00 21.15 H new ATOM 0 HD3 ARG A 61 1.557 8.336 4.327 1.00 21.15 H new ATOM 0 HE ARG A 61 2.883 9.064 6.708 1.00 13.15 H new ATOM 0 HH11 ARG A 61 3.053 9.997 3.273 1.00 4.54 H new ATOM 0 HH12 ARG A 61 3.582 11.642 3.642 1.00 4.54 H new ATOM 0 HH21 ARG A 61 3.566 11.149 7.144 1.00 12.52 H new ATOM 0 HH22 ARG A 61 3.872 12.291 5.831 1.00 12.52 H new ATOM 1054 N ARG A 62 -1.385 5.676 8.496 1.00 72.30 N ATOM 1055 CA ARG A 62 -2.378 5.730 9.599 1.00 32.10 C ATOM 1056 C ARG A 62 -2.382 4.406 10.387 1.00 14.25 C ATOM 1057 O ARG A 62 -2.519 4.410 11.615 1.00 65.31 O ATOM 1058 CB ARG A 62 -3.827 5.978 9.064 1.00 13.50 C ATOM 1059 CG ARG A 62 -4.051 7.276 8.263 1.00 2.41 C ATOM 1060 CD ARG A 62 -3.836 8.564 9.069 1.00 11.31 C ATOM 1061 NE ARG A 62 -4.254 9.760 8.312 1.00 40.35 N ATOM 1062 CZ ARG A 62 -4.231 11.015 8.786 1.00 23.14 C ATOM 1063 NH1 ARG A 62 -3.800 11.272 10.025 1.00 11.23 N ATOM 1064 NH2 ARG A 62 -4.663 12.006 8.022 1.00 52.24 N ATOM 0 H ARG A 62 -1.809 5.590 7.572 1.00 72.30 H new ATOM 0 HA ARG A 62 -2.085 6.559 10.244 1.00 32.10 H new ATOM 0 HB2 ARG A 62 -4.107 5.135 8.433 1.00 13.50 H new ATOM 0 HB3 ARG A 62 -4.509 5.980 9.914 1.00 13.50 H new ATOM 0 HG2 ARG A 62 -3.377 7.281 7.407 1.00 2.41 H new ATOM 0 HG3 ARG A 62 -5.067 7.274 7.868 1.00 2.41 H new ATOM 0 HD2 ARG A 62 -4.399 8.508 10.001 1.00 11.31 H new ATOM 0 HD3 ARG A 62 -2.783 8.653 9.338 1.00 11.31 H new ATOM 0 HE ARG A 62 -4.585 9.622 7.357 1.00 40.35 H new ATOM 0 HH11 ARG A 62 -3.483 10.509 10.623 1.00 11.23 H new ATOM 0 HH12 ARG A 62 -3.788 12.231 10.372 1.00 11.23 H new ATOM 0 HH21 ARG A 62 -5.009 11.812 7.082 1.00 52.24 H new ATOM 0 HH22 ARG A 62 -4.650 12.964 8.373 1.00 52.24 H new ATOM 1078 N LYS A 63 -2.272 3.273 9.653 1.00 51.34 N ATOM 1079 CA LYS A 63 -2.370 1.927 10.247 1.00 54.51 C ATOM 1080 C LYS A 63 -1.061 1.567 10.967 1.00 2.44 C ATOM 1081 O LYS A 63 -1.074 1.125 12.118 1.00 71.43 O ATOM 1082 CB LYS A 63 -2.674 0.859 9.140 1.00 70.35 C ATOM 1083 CG LYS A 63 -3.931 1.089 8.251 1.00 50.02 C ATOM 1084 CD LYS A 63 -5.302 0.907 8.962 1.00 13.41 C ATOM 1085 CE LYS A 63 -5.738 2.105 9.825 1.00 54.44 C ATOM 1086 NZ LYS A 63 -7.106 1.918 10.381 1.00 3.40 N ATOM 0 H LYS A 63 -2.115 3.270 8.645 1.00 51.34 H new ATOM 0 HA LYS A 63 -3.187 1.930 10.969 1.00 54.51 H new ATOM 0 HB2 LYS A 63 -1.805 0.795 8.485 1.00 70.35 H new ATOM 0 HB3 LYS A 63 -2.778 -0.111 9.627 1.00 70.35 H new ATOM 0 HG2 LYS A 63 -3.885 2.099 7.843 1.00 50.02 H new ATOM 0 HG3 LYS A 63 -3.887 0.402 7.406 1.00 50.02 H new ATOM 0 HD2 LYS A 63 -6.066 0.722 8.207 1.00 13.41 H new ATOM 0 HD3 LYS A 63 -5.255 0.019 9.593 1.00 13.41 H new ATOM 0 HE2 LYS A 63 -5.029 2.241 10.642 1.00 54.44 H new ATOM 0 HE3 LYS A 63 -5.711 3.014 9.225 1.00 54.44 H new ATOM 0 HZ1 LYS A 63 -7.363 2.746 10.956 1.00 3.40 H new ATOM 0 HZ2 LYS A 63 -7.786 1.813 9.601 1.00 3.40 H new ATOM 0 HZ3 LYS A 63 -7.126 1.064 10.975 1.00 3.40 H new ATOM 1100 N VAL A 64 0.065 1.828 10.291 1.00 51.11 N ATOM 1101 CA VAL A 64 1.414 1.490 10.785 1.00 74.33 C ATOM 1102 C VAL A 64 2.429 2.590 10.367 1.00 61.32 C ATOM 1103 O VAL A 64 2.785 2.703 9.185 1.00 11.42 O ATOM 1104 CB VAL A 64 1.893 0.047 10.312 1.00 3.52 C ATOM 1105 CG1 VAL A 64 1.294 -1.062 11.218 1.00 20.03 C ATOM 1106 CG2 VAL A 64 1.543 -0.217 8.819 1.00 11.43 C ATOM 0 H VAL A 64 0.070 2.283 9.378 1.00 51.11 H new ATOM 0 HA VAL A 64 1.366 1.453 11.873 1.00 74.33 H new ATOM 0 HB VAL A 64 2.979 0.021 10.406 1.00 3.52 H new ATOM 0 HG11 VAL A 64 1.637 -2.038 10.874 1.00 20.03 H new ATOM 0 HG12 VAL A 64 1.618 -0.906 12.247 1.00 20.03 H new ATOM 0 HG13 VAL A 64 0.206 -1.022 11.171 1.00 20.03 H new ATOM 0 HG21 VAL A 64 1.886 -1.212 8.535 1.00 11.43 H new ATOM 0 HG22 VAL A 64 0.464 -0.153 8.681 1.00 11.43 H new ATOM 0 HG23 VAL A 64 2.033 0.528 8.193 1.00 11.43 H new ATOM 1116 N PRO A 65 2.907 3.436 11.340 1.00 43.22 N ATOM 1117 CA PRO A 65 3.990 4.437 11.088 1.00 20.32 C ATOM 1118 C PRO A 65 5.353 3.773 10.765 1.00 1.53 C ATOM 1119 O PRO A 65 6.242 4.406 10.180 1.00 42.21 O ATOM 1120 CB PRO A 65 4.048 5.239 12.418 1.00 75.34 C ATOM 1121 CG PRO A 65 3.481 4.315 13.454 1.00 12.41 C ATOM 1122 CD PRO A 65 2.409 3.520 12.748 1.00 44.54 C ATOM 0 HA PRO A 65 3.784 5.058 10.216 1.00 20.32 H new ATOM 0 HB2 PRO A 65 5.071 5.525 12.662 1.00 75.34 H new ATOM 0 HB3 PRO A 65 3.467 6.159 12.350 1.00 75.34 H new ATOM 0 HG2 PRO A 65 4.252 3.660 13.859 1.00 12.41 H new ATOM 0 HG3 PRO A 65 3.066 4.874 14.293 1.00 12.41 H new ATOM 0 HD2 PRO A 65 2.286 2.531 13.190 1.00 44.54 H new ATOM 0 HD3 PRO A 65 1.440 4.016 12.802 1.00 44.54 H new ATOM 1130 N ASN A 66 5.487 2.489 11.143 1.00 40.40 N ATOM 1131 CA ASN A 66 6.710 1.687 10.922 1.00 61.31 C ATOM 1132 C ASN A 66 6.899 1.358 9.425 1.00 14.41 C ATOM 1133 O ASN A 66 8.001 0.995 8.995 1.00 61.53 O ATOM 1134 CB ASN A 66 6.636 0.357 11.708 1.00 62.45 C ATOM 1135 CG ASN A 66 6.271 0.484 13.190 1.00 74.31 C ATOM 1136 OD1 ASN A 66 6.619 1.454 13.857 1.00 70.53 O ATOM 1137 ND2 ASN A 66 5.561 -0.509 13.712 1.00 52.20 N ATOM 0 H ASN A 66 4.745 1.972 11.615 1.00 40.40 H new ATOM 0 HA ASN A 66 7.554 2.282 11.272 1.00 61.31 H new ATOM 0 HB2 ASN A 66 5.903 -0.289 11.226 1.00 62.45 H new ATOM 0 HB3 ASN A 66 7.601 -0.144 11.631 1.00 62.45 H new ATOM 0 HD21 ASN A 66 5.289 -0.480 14.695 1.00 52.20 H new ATOM 0 HD22 ASN A 66 5.288 -1.301 13.130 1.00 52.20 H new ATOM 1144 N ALA A 67 5.806 1.446 8.657 1.00 72.33 N ATOM 1145 CA ALA A 67 5.815 1.197 7.217 1.00 73.31 C ATOM 1146 C ALA A 67 6.610 2.287 6.484 1.00 62.43 C ATOM 1147 O ALA A 67 6.204 3.451 6.499 1.00 30.03 O ATOM 1148 CB ALA A 67 4.370 1.143 6.701 1.00 23.44 C ATOM 0 H ALA A 67 4.887 1.694 9.023 1.00 72.33 H new ATOM 0 HA ALA A 67 6.301 0.241 7.023 1.00 73.31 H new ATOM 0 HB1 ALA A 67 4.374 0.957 5.627 1.00 23.44 H new ATOM 0 HB2 ALA A 67 3.833 0.340 7.206 1.00 23.44 H new ATOM 0 HB3 ALA A 67 3.876 2.093 6.903 1.00 23.44 H new ATOM 1154 N ARG A 68 7.766 1.923 5.886 1.00 21.12 N ATOM 1155 CA ARG A 68 8.518 2.839 5.015 1.00 24.13 C ATOM 1156 C ARG A 68 7.840 2.842 3.637 1.00 73.15 C ATOM 1157 O ARG A 68 7.968 1.888 2.874 1.00 41.15 O ATOM 1158 CB ARG A 68 10.016 2.434 4.892 1.00 73.10 C ATOM 1159 CG ARG A 68 10.833 3.353 3.942 1.00 0.44 C ATOM 1160 CD ARG A 68 10.915 4.833 4.425 1.00 11.24 C ATOM 1161 NE ARG A 68 11.065 5.782 3.297 1.00 53.24 N ATOM 1162 CZ ARG A 68 12.201 6.390 2.914 1.00 11.03 C ATOM 1163 NH1 ARG A 68 13.346 6.178 3.551 1.00 43.13 N ATOM 1164 NH2 ARG A 68 12.177 7.219 1.883 1.00 44.01 N ATOM 0 H ARG A 68 8.193 1.003 5.993 1.00 21.12 H new ATOM 0 HA ARG A 68 8.507 3.838 5.451 1.00 24.13 H new ATOM 0 HB2 ARG A 68 10.471 2.453 5.882 1.00 73.10 H new ATOM 0 HB3 ARG A 68 10.078 1.407 4.532 1.00 73.10 H new ATOM 0 HG2 ARG A 68 11.843 2.955 3.844 1.00 0.44 H new ATOM 0 HG3 ARG A 68 10.383 3.328 2.950 1.00 0.44 H new ATOM 0 HD2 ARG A 68 10.015 5.080 4.988 1.00 11.24 H new ATOM 0 HD3 ARG A 68 11.758 4.945 5.106 1.00 11.24 H new ATOM 0 HE ARG A 68 10.225 5.995 2.759 1.00 53.24 H new ATOM 0 HH11 ARG A 68 13.376 5.543 4.349 1.00 43.13 H new ATOM 0 HH12 ARG A 68 14.196 6.650 3.243 1.00 43.13 H new ATOM 0 HH21 ARG A 68 11.302 7.391 1.387 1.00 44.01 H new ATOM 0 HH22 ARG A 68 13.033 7.686 1.584 1.00 44.01 H new ATOM 1178 N VAL A 69 7.094 3.906 3.352 1.00 73.20 N ATOM 1179 CA VAL A 69 6.285 4.020 2.134 1.00 72.33 C ATOM 1180 C VAL A 69 7.019 4.891 1.098 1.00 43.41 C ATOM 1181 O VAL A 69 7.482 5.991 1.424 1.00 34.00 O ATOM 1182 CB VAL A 69 4.874 4.632 2.465 1.00 52.44 C ATOM 1183 CG1 VAL A 69 3.947 4.564 1.238 1.00 55.25 C ATOM 1184 CG2 VAL A 69 4.235 3.926 3.685 1.00 4.23 C ATOM 0 H VAL A 69 7.031 4.721 3.962 1.00 73.20 H new ATOM 0 HA VAL A 69 6.136 3.024 1.716 1.00 72.33 H new ATOM 0 HB VAL A 69 5.014 5.682 2.724 1.00 52.44 H new ATOM 0 HG11 VAL A 69 2.977 4.993 1.490 1.00 55.25 H new ATOM 0 HG12 VAL A 69 4.390 5.127 0.416 1.00 55.25 H new ATOM 0 HG13 VAL A 69 3.817 3.524 0.937 1.00 55.25 H new ATOM 0 HG21 VAL A 69 3.261 4.368 3.892 1.00 4.23 H new ATOM 0 HG22 VAL A 69 4.113 2.865 3.469 1.00 4.23 H new ATOM 0 HG23 VAL A 69 4.881 4.047 4.555 1.00 4.23 H new ATOM 1194 N ARG A 70 7.127 4.385 -0.133 1.00 61.52 N ATOM 1195 CA ARG A 70 7.762 5.089 -1.255 1.00 62.43 C ATOM 1196 C ARG A 70 6.810 5.084 -2.462 1.00 63.13 C ATOM 1197 O ARG A 70 6.636 4.051 -3.119 1.00 42.21 O ATOM 1198 CB ARG A 70 9.128 4.428 -1.599 1.00 55.04 C ATOM 1199 CG ARG A 70 9.852 5.058 -2.807 1.00 21.30 C ATOM 1200 CD ARG A 70 11.300 4.576 -2.965 1.00 23.34 C ATOM 1201 NE ARG A 70 11.417 3.119 -3.203 1.00 23.35 N ATOM 1202 CZ ARG A 70 12.578 2.465 -3.409 1.00 33.12 C ATOM 1203 NH1 ARG A 70 13.742 3.112 -3.410 1.00 71.25 N ATOM 1204 NH2 ARG A 70 12.565 1.158 -3.630 1.00 2.33 N ATOM 0 H ARG A 70 6.772 3.462 -0.384 1.00 61.52 H new ATOM 0 HA ARG A 70 7.960 6.125 -0.978 1.00 62.43 H new ATOM 0 HB2 ARG A 70 9.779 4.491 -0.727 1.00 55.04 H new ATOM 0 HB3 ARG A 70 8.966 3.369 -1.799 1.00 55.04 H new ATOM 0 HG2 ARG A 70 9.298 4.825 -3.716 1.00 21.30 H new ATOM 0 HG3 ARG A 70 9.847 6.143 -2.700 1.00 21.30 H new ATOM 0 HD2 ARG A 70 11.763 5.110 -3.795 1.00 23.34 H new ATOM 0 HD3 ARG A 70 11.860 4.835 -2.067 1.00 23.34 H new ATOM 0 HE ARG A 70 10.557 2.571 -3.212 1.00 23.35 H new ATOM 0 HH11 ARG A 70 13.766 4.120 -3.253 1.00 71.25 H new ATOM 0 HH12 ARG A 70 14.610 2.600 -3.568 1.00 71.25 H new ATOM 0 HH21 ARG A 70 11.680 0.652 -3.644 1.00 2.33 H new ATOM 0 HH22 ARG A 70 13.440 0.658 -3.786 1.00 2.33 H new ATOM 1218 N GLU A 71 6.170 6.238 -2.720 1.00 4.14 N ATOM 1219 CA GLU A 71 5.237 6.417 -3.846 1.00 72.40 C ATOM 1220 C GLU A 71 6.025 7.009 -5.027 1.00 63.44 C ATOM 1221 O GLU A 71 6.851 7.911 -4.838 1.00 72.25 O ATOM 1222 CB GLU A 71 4.039 7.303 -3.393 1.00 0.10 C ATOM 1223 CG GLU A 71 2.791 7.316 -4.319 1.00 53.01 C ATOM 1224 CD GLU A 71 2.902 8.266 -5.529 1.00 73.14 C ATOM 1225 OE1 GLU A 71 2.683 9.484 -5.349 1.00 55.23 O ATOM 1226 OE2 GLU A 71 3.199 7.810 -6.652 1.00 13.21 O ATOM 0 H GLU A 71 6.286 7.076 -2.151 1.00 4.14 H new ATOM 0 HA GLU A 71 4.809 5.470 -4.173 1.00 72.40 H new ATOM 0 HB2 GLU A 71 3.725 6.971 -2.404 1.00 0.10 H new ATOM 0 HB3 GLU A 71 4.395 8.328 -3.287 1.00 0.10 H new ATOM 0 HG2 GLU A 71 2.614 6.304 -4.683 1.00 53.01 H new ATOM 0 HG3 GLU A 71 1.920 7.600 -3.729 1.00 53.01 H new ATOM 1233 N THR A 72 5.759 6.499 -6.238 1.00 5.45 N ATOM 1234 CA THR A 72 6.606 6.695 -7.427 1.00 64.45 C ATOM 1235 C THR A 72 5.744 7.017 -8.665 1.00 24.21 C ATOM 1236 O THR A 72 4.747 6.325 -8.928 1.00 64.33 O ATOM 1237 CB THR A 72 7.464 5.407 -7.708 1.00 3.13 C ATOM 1238 OG1 THR A 72 6.616 4.239 -7.761 1.00 71.23 O ATOM 1239 CG2 THR A 72 8.562 5.189 -6.644 1.00 14.01 C ATOM 0 H THR A 72 4.934 5.928 -6.424 1.00 5.45 H new ATOM 0 HA THR A 72 7.271 7.536 -7.230 1.00 64.45 H new ATOM 0 HB THR A 72 7.952 5.559 -8.671 1.00 3.13 H new ATOM 0 HG1 THR A 72 6.892 3.603 -7.069 1.00 71.23 H new ATOM 0 HG21 THR A 72 9.126 4.288 -6.883 1.00 14.01 H new ATOM 0 HG22 THR A 72 9.235 6.046 -6.635 1.00 14.01 H new ATOM 0 HG23 THR A 72 8.101 5.079 -5.663 1.00 14.01 H new ATOM 1247 N GLU A 73 6.161 8.044 -9.430 1.00 2.22 N ATOM 1248 CA GLU A 73 5.460 8.489 -10.645 1.00 32.24 C ATOM 1249 C GLU A 73 5.749 7.506 -11.796 1.00 54.03 C ATOM 1250 O GLU A 73 6.911 7.320 -12.184 1.00 71.33 O ATOM 1251 CB GLU A 73 5.889 9.929 -11.064 1.00 75.15 C ATOM 1252 CG GLU A 73 5.720 11.028 -9.988 1.00 74.03 C ATOM 1253 CD GLU A 73 6.850 11.056 -8.935 1.00 51.51 C ATOM 1254 OE1 GLU A 73 7.950 11.574 -9.239 1.00 31.32 O ATOM 1255 OE2 GLU A 73 6.655 10.560 -7.807 1.00 13.42 O ATOM 0 H GLU A 73 6.997 8.589 -9.220 1.00 2.22 H new ATOM 0 HA GLU A 73 4.392 8.509 -10.429 1.00 32.24 H new ATOM 0 HB2 GLU A 73 6.936 9.901 -11.365 1.00 75.15 H new ATOM 0 HB3 GLU A 73 5.312 10.217 -11.943 1.00 75.15 H new ATOM 0 HG2 GLU A 73 5.672 11.999 -10.480 1.00 74.03 H new ATOM 0 HG3 GLU A 73 4.767 10.881 -9.480 1.00 74.03 H new ATOM 1262 N THR A 74 4.694 6.877 -12.309 1.00 33.31 N ATOM 1263 CA THR A 74 4.767 5.935 -13.435 1.00 3.22 C ATOM 1264 C THR A 74 4.056 6.559 -14.660 1.00 11.01 C ATOM 1265 O THR A 74 3.011 7.200 -14.507 1.00 54.54 O ATOM 1266 CB THR A 74 4.090 4.577 -13.047 1.00 24.05 C ATOM 1267 OG1 THR A 74 4.549 4.160 -11.744 1.00 62.33 O ATOM 1268 CG2 THR A 74 4.388 3.459 -14.061 1.00 32.40 C ATOM 0 H THR A 74 3.747 7.006 -11.952 1.00 33.31 H new ATOM 0 HA THR A 74 5.810 5.739 -13.681 1.00 3.22 H new ATOM 0 HB THR A 74 3.013 4.746 -13.043 1.00 24.05 H new ATOM 0 HG1 THR A 74 4.123 3.311 -11.503 1.00 62.33 H new ATOM 0 HG21 THR A 74 3.895 2.540 -13.744 1.00 32.40 H new ATOM 0 HG22 THR A 74 4.016 3.750 -15.043 1.00 32.40 H new ATOM 0 HG23 THR A 74 5.464 3.294 -14.115 1.00 32.40 H new