USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 543 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 43 HIS :FLIP no HD1:sc= 0.41 F(o=-0.054,f=0.81) USER MOD Set 1.2: A 44 SER OG : rot 87:sc= 0.398 USER MOD Set 2.1: A 33 HIS :FLIP no HD1:sc= 0.469 F(o=-1.6,f=1.2) USER MOD Set 2.2: A 35 SER OG : rot 98:sc= 0.755 USER MOD Single : A 1 MET CE :methyl -162:sc= -0.0778 (180deg=-0.509) USER MOD Single : A 1 MET N :NH3+ -169:sc=-0.00681 (180deg=-0.148) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.0476 X(o=-0.048,f=0.026) USER MOD Single : A 8 LYS NZ :NH3+ 155:sc= -0.619! (180deg=-2.77!) USER MOD Single : A 10 LYS NZ :NH3+ -140:sc= 1.17 (180deg=0.983) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.874 K(o=-0.87,f=-2.1!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 23 GLN : amide:sc= -1.88! C(o=-1.9!,f=-6.9!) USER MOD Single : A 25 ASN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN :FLIP amide:sc=-0.00153 F(o=-1.8!,f=-0.0015) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.0734 K(o=-0.073,f=-1.8!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.016 16.880 2.469 1.00 60.51 N ATOM 2 CA MET A 1 -0.278 16.085 3.450 1.00 62.55 C ATOM 3 C MET A 1 -0.843 14.685 3.458 1.00 73.23 C ATOM 4 O MET A 1 -2.033 14.499 3.718 1.00 33.35 O ATOM 5 CB MET A 1 -0.386 16.713 4.849 1.00 45.41 C ATOM 6 CG MET A 1 0.210 18.112 4.953 1.00 52.14 C ATOM 7 SD MET A 1 0.059 18.842 6.606 1.00 73.23 S ATOM 8 CE MET A 1 -1.724 18.890 6.815 1.00 30.25 C ATOM 0 H1 MET A 1 -0.526 17.784 2.315 1.00 60.51 H new ATOM 0 H2 MET A 1 -1.071 16.359 1.571 1.00 60.51 H new ATOM 0 H3 MET A 1 -1.977 17.063 2.823 1.00 60.51 H new ATOM 0 HA MET A 1 0.777 16.057 3.178 1.00 62.55 H new ATOM 0 HB2 MET A 1 -1.437 16.756 5.136 1.00 45.41 H new ATOM 0 HB3 MET A 1 0.114 16.063 5.567 1.00 45.41 H new ATOM 0 HG2 MET A 1 1.264 18.071 4.678 1.00 52.14 H new ATOM 0 HG3 MET A 1 -0.283 18.763 4.231 1.00 52.14 H new ATOM 0 HE1 MET A 1 -1.978 19.586 7.614 1.00 30.25 H new ATOM 0 HE2 MET A 1 -2.191 19.218 5.886 1.00 30.25 H new ATOM 0 HE3 MET A 1 -2.087 17.895 7.071 1.00 30.25 H new ATOM 20 N ALA A 2 -0.016 13.697 3.182 1.00 11.35 N ATOM 21 CA ALA A 2 -0.516 12.347 3.077 1.00 62.32 C ATOM 22 C ALA A 2 0.218 11.355 3.974 1.00 23.31 C ATOM 23 O ALA A 2 1.232 10.770 3.582 1.00 71.25 O ATOM 24 CB ALA A 2 -0.538 11.882 1.625 1.00 4.43 C ATOM 0 H ALA A 2 0.987 13.802 3.029 1.00 11.35 H new ATOM 0 HA ALA A 2 -1.542 12.372 3.445 1.00 62.32 H new ATOM 0 HB1 ALA A 2 -0.919 10.862 1.575 1.00 4.43 H new ATOM 0 HB2 ALA A 2 -1.183 12.539 1.042 1.00 4.43 H new ATOM 0 HB3 ALA A 2 0.473 11.912 1.218 1.00 4.43 H new ATOM 30 N THR A 3 -0.284 11.216 5.180 1.00 23.22 N ATOM 31 CA THR A 3 0.183 10.246 6.160 1.00 72.13 C ATOM 32 C THR A 3 -1.037 9.703 6.881 1.00 42.30 C ATOM 33 O THR A 3 -1.964 10.478 7.167 1.00 34.13 O ATOM 34 CB THR A 3 1.206 10.859 7.151 1.00 64.30 C ATOM 35 OG1 THR A 3 0.736 12.131 7.619 1.00 3.42 O ATOM 36 CG2 THR A 3 2.583 11.011 6.509 1.00 54.30 C ATOM 0 H THR A 3 -1.054 11.791 5.522 1.00 23.22 H new ATOM 0 HA THR A 3 0.715 9.440 5.655 1.00 72.13 H new ATOM 0 HB THR A 3 1.305 10.178 7.996 1.00 64.30 H new ATOM 0 HG1 THR A 3 1.387 12.510 8.246 1.00 3.42 H new ATOM 0 HG21 THR A 3 3.275 11.443 7.231 1.00 54.30 H new ATOM 0 HG22 THR A 3 2.949 10.033 6.196 1.00 54.30 H new ATOM 0 HG23 THR A 3 2.509 11.665 5.640 1.00 54.30 H new ATOM 44 N ASN A 4 -1.041 8.394 7.174 1.00 52.22 N ATOM 45 CA ASN A 4 -2.246 7.680 7.637 1.00 2.22 C ATOM 46 C ASN A 4 -3.301 7.844 6.550 1.00 3.02 C ATOM 47 O ASN A 4 -4.205 8.682 6.629 1.00 65.10 O ATOM 48 CB ASN A 4 -2.768 8.158 9.010 1.00 51.44 C ATOM 49 CG ASN A 4 -3.926 7.317 9.535 1.00 14.12 C ATOM 50 OD1 ASN A 4 -5.095 7.583 9.254 1.00 61.22 O ATOM 51 ND2 ASN A 4 -3.619 6.324 10.319 1.00 22.52 N ATOM 0 H ASN A 4 -0.215 7.801 7.098 1.00 52.22 H new ATOM 0 HA ASN A 4 -1.997 6.631 7.798 1.00 2.22 H new ATOM 0 HB2 ASN A 4 -1.951 8.132 9.732 1.00 51.44 H new ATOM 0 HB3 ASN A 4 -3.089 9.197 8.929 1.00 51.44 H new ATOM 0 HD21 ASN A 4 -4.356 5.743 10.718 1.00 22.52 H new ATOM 0 HD22 ASN A 4 -2.642 6.127 10.534 1.00 22.52 H new ATOM 58 N ILE A 5 -3.085 7.121 5.497 1.00 63.00 N ATOM 59 CA ILE A 5 -3.847 7.224 4.294 1.00 14.32 C ATOM 60 C ILE A 5 -4.852 6.126 4.183 1.00 55.30 C ATOM 61 O ILE A 5 -4.617 5.007 4.621 1.00 53.22 O ATOM 62 CB ILE A 5 -2.903 7.141 3.080 1.00 23.43 C ATOM 63 CG1 ILE A 5 -1.838 8.217 3.184 1.00 32.12 C ATOM 64 CG2 ILE A 5 -3.663 7.241 1.751 1.00 13.43 C ATOM 65 CD1 ILE A 5 -0.902 8.233 2.030 1.00 50.51 C ATOM 0 H ILE A 5 -2.347 6.418 5.450 1.00 63.00 H new ATOM 0 HA ILE A 5 -4.372 8.179 4.316 1.00 14.32 H new ATOM 0 HB ILE A 5 -2.423 6.163 3.091 1.00 23.43 H new ATOM 0 HG12 ILE A 5 -2.322 9.190 3.264 1.00 32.12 H new ATOM 0 HG13 ILE A 5 -1.269 8.068 4.102 1.00 32.12 H new ATOM 0 HG21 ILE A 5 -2.957 7.178 0.923 1.00 13.43 H new ATOM 0 HG22 ILE A 5 -4.380 6.423 1.680 1.00 13.43 H new ATOM 0 HG23 ILE A 5 -4.192 8.193 1.705 1.00 13.43 H new ATOM 0 HD11 ILE A 5 -0.167 9.026 2.169 1.00 50.51 H new ATOM 0 HD12 ILE A 5 -0.391 7.272 1.962 1.00 50.51 H new ATOM 0 HD13 ILE A 5 -1.460 8.413 1.111 1.00 50.51 H new ATOM 77 N VAL A 6 -5.939 6.457 3.582 1.00 24.34 N ATOM 78 CA VAL A 6 -6.989 5.544 3.308 1.00 72.12 C ATOM 79 C VAL A 6 -6.778 4.932 1.942 1.00 64.13 C ATOM 80 O VAL A 6 -6.314 5.600 1.016 1.00 23.25 O ATOM 81 CB VAL A 6 -8.352 6.282 3.292 1.00 23.11 C ATOM 82 CG1 VAL A 6 -9.475 5.370 2.821 1.00 34.33 C ATOM 83 CG2 VAL A 6 -8.665 6.871 4.655 1.00 2.44 C ATOM 0 H VAL A 6 -6.128 7.405 3.256 1.00 24.34 H new ATOM 0 HA VAL A 6 -6.990 4.776 4.082 1.00 72.12 H new ATOM 0 HB VAL A 6 -8.274 7.102 2.578 1.00 23.11 H new ATOM 0 HG11 VAL A 6 -10.416 5.921 2.822 1.00 34.33 H new ATOM 0 HG12 VAL A 6 -9.261 5.021 1.811 1.00 34.33 H new ATOM 0 HG13 VAL A 6 -9.554 4.514 3.492 1.00 34.33 H new ATOM 0 HG21 VAL A 6 -9.626 7.384 4.618 1.00 2.44 H new ATOM 0 HG22 VAL A 6 -8.708 6.072 5.395 1.00 2.44 H new ATOM 0 HG23 VAL A 6 -7.886 7.581 4.932 1.00 2.44 H new ATOM 93 N GLY A 7 -7.051 3.682 1.833 1.00 24.04 N ATOM 94 CA GLY A 7 -7.134 3.080 0.556 1.00 12.25 C ATOM 95 C GLY A 7 -7.458 1.638 0.606 1.00 34.00 C ATOM 96 O GLY A 7 -7.328 1.000 1.628 1.00 30.22 O ATOM 0 H GLY A 7 -7.221 3.054 2.619 1.00 24.04 H new ATOM 0 HA2 GLY A 7 -7.894 3.595 -0.032 1.00 12.25 H new ATOM 0 HA3 GLY A 7 -6.185 3.214 0.037 1.00 12.25 H new ATOM 100 N LYS A 8 -7.909 1.140 -0.480 1.00 71.41 N ATOM 101 CA LYS A 8 -8.197 -0.238 -0.626 1.00 21.31 C ATOM 102 C LYS A 8 -7.134 -0.860 -1.484 1.00 21.43 C ATOM 103 O LYS A 8 -6.669 -0.233 -2.443 1.00 71.53 O ATOM 104 CB LYS A 8 -9.575 -0.418 -1.257 1.00 3.13 C ATOM 105 CG LYS A 8 -9.942 -1.831 -1.584 1.00 63.30 C ATOM 106 CD LYS A 8 -11.253 -1.873 -2.341 1.00 61.30 C ATOM 107 CE LYS A 8 -12.486 -1.608 -1.472 1.00 33.42 C ATOM 108 NZ LYS A 8 -12.503 -0.338 -0.708 1.00 42.12 N ATOM 0 H LYS A 8 -8.094 1.692 -1.317 1.00 71.41 H new ATOM 0 HA LYS A 8 -8.207 -0.726 0.349 1.00 21.31 H new ATOM 0 HB2 LYS A 8 -10.325 -0.012 -0.578 1.00 3.13 H new ATOM 0 HB3 LYS A 8 -9.619 0.174 -2.171 1.00 3.13 H new ATOM 0 HG2 LYS A 8 -9.154 -2.289 -2.182 1.00 63.30 H new ATOM 0 HG3 LYS A 8 -10.025 -2.414 -0.667 1.00 63.30 H new ATOM 0 HD2 LYS A 8 -11.221 -1.135 -3.142 1.00 61.30 H new ATOM 0 HD3 LYS A 8 -11.357 -2.850 -2.812 1.00 61.30 H new ATOM 0 HE2 LYS A 8 -13.366 -1.630 -2.115 1.00 33.42 H new ATOM 0 HE3 LYS A 8 -12.587 -2.431 -0.765 1.00 33.42 H new ATOM 0 HZ1 LYS A 8 -13.487 -0.062 -0.514 1.00 42.12 H new ATOM 0 HZ2 LYS A 8 -11.996 -0.467 0.191 1.00 42.12 H new ATOM 0 HZ3 LYS A 8 -12.038 0.408 -1.264 1.00 42.12 H new ATOM 122 N VAL A 9 -6.717 -2.058 -1.123 1.00 64.32 N ATOM 123 CA VAL A 9 -5.743 -2.789 -1.886 1.00 43.11 C ATOM 124 C VAL A 9 -6.279 -2.980 -3.294 1.00 33.15 C ATOM 125 O VAL A 9 -7.255 -3.709 -3.522 1.00 32.34 O ATOM 126 CB VAL A 9 -5.384 -4.156 -1.242 1.00 32.22 C ATOM 127 CG1 VAL A 9 -4.338 -4.894 -2.072 1.00 63.13 C ATOM 128 CG2 VAL A 9 -4.873 -3.961 0.179 1.00 1.43 C ATOM 0 H VAL A 9 -7.048 -2.546 -0.291 1.00 64.32 H new ATOM 0 HA VAL A 9 -4.818 -2.213 -1.907 1.00 43.11 H new ATOM 0 HB VAL A 9 -6.292 -4.759 -1.213 1.00 32.22 H new ATOM 0 HG11 VAL A 9 -4.105 -5.848 -1.599 1.00 63.13 H new ATOM 0 HG12 VAL A 9 -4.728 -5.072 -3.074 1.00 63.13 H new ATOM 0 HG13 VAL A 9 -3.433 -4.290 -2.137 1.00 63.13 H new ATOM 0 HG21 VAL A 9 -4.627 -4.930 0.613 1.00 1.43 H new ATOM 0 HG22 VAL A 9 -3.982 -3.334 0.162 1.00 1.43 H new ATOM 0 HG23 VAL A 9 -5.644 -3.479 0.780 1.00 1.43 H new ATOM 138 N LYS A 10 -5.657 -2.267 -4.190 1.00 51.04 N ATOM 139 CA LYS A 10 -6.017 -2.191 -5.591 1.00 33.14 C ATOM 140 C LYS A 10 -5.749 -3.548 -6.233 1.00 10.04 C ATOM 141 O LYS A 10 -6.544 -4.046 -7.026 1.00 12.43 O ATOM 142 CB LYS A 10 -5.139 -1.103 -6.204 1.00 61.13 C ATOM 143 CG LYS A 10 -5.419 -0.670 -7.617 1.00 40.03 C ATOM 144 CD LYS A 10 -4.346 0.320 -8.031 1.00 22.42 C ATOM 145 CE LYS A 10 -4.536 0.888 -9.411 1.00 14.34 C ATOM 146 NZ LYS A 10 -5.696 1.794 -9.503 1.00 74.23 N ATOM 0 H LYS A 10 -4.846 -1.693 -3.960 1.00 51.04 H new ATOM 0 HA LYS A 10 -7.069 -1.949 -5.743 1.00 33.14 H new ATOM 0 HB2 LYS A 10 -5.209 -0.222 -5.567 1.00 61.13 H new ATOM 0 HB3 LYS A 10 -4.105 -1.447 -6.161 1.00 61.13 H new ATOM 0 HG2 LYS A 10 -5.420 -1.531 -8.285 1.00 40.03 H new ATOM 0 HG3 LYS A 10 -6.406 -0.212 -7.686 1.00 40.03 H new ATOM 0 HD2 LYS A 10 -4.325 1.139 -7.312 1.00 22.42 H new ATOM 0 HD3 LYS A 10 -3.374 -0.172 -7.982 1.00 22.42 H new ATOM 0 HE2 LYS A 10 -3.635 1.428 -9.704 1.00 14.34 H new ATOM 0 HE3 LYS A 10 -4.662 0.071 -10.121 1.00 14.34 H new ATOM 0 HZ1 LYS A 10 -6.192 1.632 -10.403 1.00 74.23 H new ATOM 0 HZ2 LYS A 10 -6.345 1.609 -8.712 1.00 74.23 H new ATOM 0 HZ3 LYS A 10 -5.370 2.781 -9.460 1.00 74.23 H new ATOM 160 N TRP A 11 -4.614 -4.117 -5.864 1.00 62.13 N ATOM 161 CA TRP A 11 -4.197 -5.456 -6.237 1.00 40.14 C ATOM 162 C TRP A 11 -2.911 -5.744 -5.538 1.00 23.12 C ATOM 163 O TRP A 11 -2.229 -4.814 -5.097 1.00 71.02 O ATOM 164 CB TRP A 11 -4.030 -5.667 -7.760 1.00 33.34 C ATOM 165 CG TRP A 11 -2.978 -4.836 -8.435 1.00 32.45 C ATOM 166 CD1 TRP A 11 -3.107 -3.577 -8.929 1.00 23.43 C ATOM 167 CD2 TRP A 11 -1.637 -5.240 -8.707 1.00 51.12 C ATOM 168 NE1 TRP A 11 -1.925 -3.175 -9.492 1.00 3.42 N ATOM 169 CE2 TRP A 11 -1.005 -4.181 -9.365 1.00 53.21 C ATOM 170 CE3 TRP A 11 -0.920 -6.399 -8.449 1.00 55.21 C ATOM 171 CZ2 TRP A 11 0.325 -4.249 -9.774 1.00 24.44 C ATOM 172 CZ3 TRP A 11 0.395 -6.471 -8.851 1.00 44.21 C ATOM 173 CH2 TRP A 11 1.007 -5.401 -9.506 1.00 23.05 C ATOM 0 H TRP A 11 -3.932 -3.640 -5.274 1.00 62.13 H new ATOM 0 HA TRP A 11 -4.988 -6.143 -5.937 1.00 40.14 H new ATOM 0 HB2 TRP A 11 -3.801 -6.718 -7.937 1.00 33.34 H new ATOM 0 HB3 TRP A 11 -4.987 -5.464 -8.241 1.00 33.34 H new ATOM 0 HD1 TRP A 11 -4.007 -2.982 -8.884 1.00 23.43 H new ATOM 0 HE1 TRP A 11 -1.757 -2.272 -9.935 1.00 3.42 H new ATOM 0 HE3 TRP A 11 -1.385 -7.231 -7.941 1.00 55.21 H new ATOM 0 HZ2 TRP A 11 0.798 -3.423 -10.283 1.00 24.44 H new ATOM 0 HZ3 TRP A 11 0.962 -7.369 -8.656 1.00 44.21 H new ATOM 0 HH2 TRP A 11 2.041 -5.486 -9.807 1.00 23.05 H new ATOM 184 N TYR A 12 -2.571 -6.990 -5.430 1.00 75.04 N ATOM 185 CA TYR A 12 -1.358 -7.381 -4.746 1.00 64.35 C ATOM 186 C TYR A 12 -0.980 -8.793 -5.096 1.00 15.02 C ATOM 187 O TYR A 12 -1.822 -9.700 -5.087 1.00 32.25 O ATOM 188 CB TYR A 12 -1.516 -7.222 -3.217 1.00 74.23 C ATOM 189 CG TYR A 12 -0.263 -7.518 -2.406 1.00 22.20 C ATOM 190 CD1 TYR A 12 0.777 -6.604 -2.352 1.00 53.12 C ATOM 191 CD2 TYR A 12 -0.128 -8.700 -1.692 1.00 53.04 C ATOM 192 CE1 TYR A 12 1.918 -6.855 -1.612 1.00 74.33 C ATOM 193 CE2 TYR A 12 1.005 -8.955 -0.947 1.00 63.05 C ATOM 194 CZ TYR A 12 2.026 -8.029 -0.909 1.00 30.34 C ATOM 195 OH TYR A 12 3.161 -8.285 -0.166 1.00 34.11 O ATOM 0 H TYR A 12 -3.115 -7.766 -5.807 1.00 75.04 H new ATOM 0 HA TYR A 12 -0.555 -6.722 -5.076 1.00 64.35 H new ATOM 0 HB2 TYR A 12 -1.836 -6.202 -3.004 1.00 74.23 H new ATOM 0 HB3 TYR A 12 -2.314 -7.883 -2.879 1.00 74.23 H new ATOM 0 HD1 TYR A 12 0.695 -5.676 -2.899 1.00 53.12 H new ATOM 0 HD2 TYR A 12 -0.922 -9.432 -1.720 1.00 53.04 H new ATOM 0 HE1 TYR A 12 2.719 -6.131 -1.587 1.00 74.33 H new ATOM 0 HE2 TYR A 12 1.092 -9.879 -0.394 1.00 63.05 H new ATOM 0 HH TYR A 12 3.076 -9.158 0.271 1.00 34.11 H new ATOM 205 N ASN A 13 0.265 -8.977 -5.433 1.00 40.52 N ATOM 206 CA ASN A 13 0.793 -10.286 -5.699 1.00 61.32 C ATOM 207 C ASN A 13 1.776 -10.618 -4.619 1.00 44.42 C ATOM 208 O ASN A 13 2.887 -10.073 -4.594 1.00 42.44 O ATOM 209 CB ASN A 13 1.476 -10.382 -7.081 1.00 42.32 C ATOM 210 CG ASN A 13 0.542 -10.165 -8.265 1.00 73.40 C ATOM 211 OD1 ASN A 13 0.963 -9.684 -9.318 1.00 50.14 O ATOM 212 ND2 ASN A 13 -0.713 -10.521 -8.117 1.00 32.43 N ATOM 0 H ASN A 13 0.944 -8.222 -5.531 1.00 40.52 H new ATOM 0 HA ASN A 13 -0.034 -10.996 -5.712 1.00 61.32 H new ATOM 0 HB2 ASN A 13 2.278 -9.645 -7.128 1.00 42.32 H new ATOM 0 HB3 ASN A 13 1.939 -11.364 -7.176 1.00 42.32 H new ATOM 0 HD21 ASN A 13 -1.371 -10.402 -8.887 1.00 32.43 H new ATOM 0 HD22 ASN A 13 -1.030 -10.916 -7.232 1.00 32.43 H new ATOM 219 N SER A 14 1.373 -11.479 -3.715 1.00 43.30 N ATOM 220 CA SER A 14 2.197 -11.871 -2.599 1.00 32.33 C ATOM 221 C SER A 14 3.470 -12.553 -3.076 1.00 2.13 C ATOM 222 O SER A 14 4.537 -12.340 -2.516 1.00 72.42 O ATOM 223 CB SER A 14 1.397 -12.768 -1.657 1.00 2.54 C ATOM 224 OG SER A 14 0.825 -13.859 -2.367 1.00 41.11 O ATOM 0 H SER A 14 0.458 -11.930 -3.734 1.00 43.30 H new ATOM 0 HA SER A 14 2.499 -10.979 -2.049 1.00 32.33 H new ATOM 0 HB2 SER A 14 2.046 -13.143 -0.865 1.00 2.54 H new ATOM 0 HB3 SER A 14 0.610 -12.188 -1.176 1.00 2.54 H new ATOM 0 HG SER A 14 0.318 -14.423 -1.747 1.00 41.11 H new ATOM 230 N THR A 15 3.347 -13.319 -4.146 1.00 53.10 N ATOM 231 CA THR A 15 4.455 -14.033 -4.732 1.00 53.42 C ATOM 232 C THR A 15 5.524 -13.050 -5.260 1.00 33.13 C ATOM 233 O THR A 15 6.728 -13.312 -5.173 1.00 1.53 O ATOM 234 CB THR A 15 3.946 -14.942 -5.876 1.00 71.24 C ATOM 235 OG1 THR A 15 2.889 -15.782 -5.367 1.00 71.31 O ATOM 236 CG2 THR A 15 5.066 -15.826 -6.420 1.00 33.24 C ATOM 0 H THR A 15 2.462 -13.461 -4.634 1.00 53.10 H new ATOM 0 HA THR A 15 4.917 -14.652 -3.963 1.00 53.42 H new ATOM 0 HB THR A 15 3.583 -14.310 -6.687 1.00 71.24 H new ATOM 0 HG1 THR A 15 2.557 -16.361 -6.084 1.00 71.31 H new ATOM 0 HG21 THR A 15 4.677 -16.453 -7.222 1.00 33.24 H new ATOM 0 HG22 THR A 15 5.869 -15.199 -6.806 1.00 33.24 H new ATOM 0 HG23 THR A 15 5.452 -16.458 -5.620 1.00 33.24 H new ATOM 244 N LYS A 16 5.074 -11.902 -5.757 1.00 61.03 N ATOM 245 CA LYS A 16 5.992 -10.914 -6.313 1.00 62.20 C ATOM 246 C LYS A 16 6.393 -9.886 -5.261 1.00 11.13 C ATOM 247 O LYS A 16 7.283 -9.072 -5.485 1.00 1.10 O ATOM 248 CB LYS A 16 5.359 -10.207 -7.511 1.00 30.32 C ATOM 249 CG LYS A 16 4.986 -11.125 -8.657 1.00 53.23 C ATOM 250 CD LYS A 16 4.438 -10.333 -9.829 1.00 31.51 C ATOM 251 CE LYS A 16 4.083 -11.236 -10.992 1.00 62.02 C ATOM 252 NZ LYS A 16 3.581 -10.466 -12.149 1.00 3.44 N ATOM 0 H LYS A 16 4.090 -11.635 -5.786 1.00 61.03 H new ATOM 0 HA LYS A 16 6.887 -11.441 -6.643 1.00 62.20 H new ATOM 0 HB2 LYS A 16 4.464 -9.683 -7.176 1.00 30.32 H new ATOM 0 HB3 LYS A 16 6.053 -9.451 -7.879 1.00 30.32 H new ATOM 0 HG2 LYS A 16 5.861 -11.692 -8.974 1.00 53.23 H new ATOM 0 HG3 LYS A 16 4.242 -11.848 -8.322 1.00 53.23 H new ATOM 0 HD2 LYS A 16 3.554 -9.780 -9.514 1.00 31.51 H new ATOM 0 HD3 LYS A 16 5.176 -9.598 -10.150 1.00 31.51 H new ATOM 0 HE2 LYS A 16 4.962 -11.808 -11.290 1.00 62.02 H new ATOM 0 HE3 LYS A 16 3.326 -11.954 -10.677 1.00 62.02 H new ATOM 0 HZ1 LYS A 16 3.348 -11.118 -12.925 1.00 3.44 H new ATOM 0 HZ2 LYS A 16 2.728 -9.939 -11.872 1.00 3.44 H new ATOM 0 HZ3 LYS A 16 4.313 -9.798 -12.465 1.00 3.44 H new ATOM 266 N ASN A 17 5.732 -9.955 -4.109 1.00 32.14 N ATOM 267 CA ASN A 17 5.989 -9.071 -2.959 1.00 61.31 C ATOM 268 C ASN A 17 5.604 -7.607 -3.243 1.00 34.31 C ATOM 269 O ASN A 17 6.105 -6.689 -2.575 1.00 41.52 O ATOM 270 CB ASN A 17 7.469 -9.152 -2.482 1.00 53.53 C ATOM 271 CG ASN A 17 7.919 -10.547 -2.039 1.00 52.13 C ATOM 272 OD1 ASN A 17 7.003 -11.367 -1.566 1.00 44.02 O flip ATOM 273 ND2 ASN A 17 9.100 -10.888 -2.136 1.00 52.15 N flip ATOM 0 H ASN A 17 4.990 -10.634 -3.938 1.00 32.14 H new ATOM 0 HA ASN A 17 5.348 -9.435 -2.156 1.00 61.31 H new ATOM 0 HB2 ASN A 17 8.117 -8.815 -3.291 1.00 53.53 H new ATOM 0 HB3 ASN A 17 7.608 -8.459 -1.652 1.00 53.53 H new ATOM 0 HD21 ASN A 17 9.791 -10.235 -2.506 1.00 52.15 H new ATOM 0 HD22 ASN A 17 9.386 -11.823 -1.847 1.00 52.15 H new ATOM 280 N PHE A 18 4.694 -7.380 -4.195 1.00 35.42 N ATOM 281 CA PHE A 18 4.242 -6.018 -4.488 1.00 21.42 C ATOM 282 C PHE A 18 2.834 -5.973 -5.068 1.00 34.41 C ATOM 283 O PHE A 18 2.260 -7.005 -5.447 1.00 1.10 O ATOM 284 CB PHE A 18 5.225 -5.240 -5.394 1.00 11.42 C ATOM 285 CG PHE A 18 5.440 -5.797 -6.784 1.00 74.03 C ATOM 286 CD1 PHE A 18 4.573 -5.480 -7.821 1.00 5.42 C ATOM 287 CD2 PHE A 18 6.517 -6.614 -7.056 1.00 2.12 C ATOM 288 CE1 PHE A 18 4.779 -5.975 -9.092 1.00 52.31 C ATOM 289 CE2 PHE A 18 6.727 -7.112 -8.325 1.00 72.33 C ATOM 290 CZ PHE A 18 5.857 -6.794 -9.343 1.00 34.30 C ATOM 0 H PHE A 18 4.263 -8.107 -4.766 1.00 35.42 H new ATOM 0 HA PHE A 18 4.217 -5.516 -3.521 1.00 21.42 H new ATOM 0 HB2 PHE A 18 4.866 -4.215 -5.488 1.00 11.42 H new ATOM 0 HB3 PHE A 18 6.191 -5.194 -4.891 1.00 11.42 H new ATOM 0 HD1 PHE A 18 3.726 -4.837 -7.630 1.00 5.42 H new ATOM 0 HD2 PHE A 18 7.206 -6.868 -6.264 1.00 2.12 H new ATOM 0 HE1 PHE A 18 4.096 -5.721 -9.889 1.00 52.31 H new ATOM 0 HE2 PHE A 18 7.575 -7.752 -8.520 1.00 72.33 H new ATOM 0 HZ PHE A 18 6.019 -7.186 -10.336 1.00 34.30 H new ATOM 300 N GLY A 19 2.298 -4.778 -5.118 1.00 62.14 N ATOM 301 CA GLY A 19 0.995 -4.516 -5.665 1.00 22.44 C ATOM 302 C GLY A 19 0.707 -3.035 -5.621 1.00 71.51 C ATOM 303 O GLY A 19 1.634 -2.243 -5.584 1.00 32.43 O ATOM 0 H GLY A 19 2.769 -3.943 -4.770 1.00 62.14 H new ATOM 0 HA2 GLY A 19 0.944 -4.875 -6.693 1.00 22.44 H new ATOM 0 HA3 GLY A 19 0.238 -5.059 -5.100 1.00 22.44 H new ATOM 307 N PHE A 20 -0.550 -2.663 -5.591 1.00 53.00 N ATOM 308 CA PHE A 20 -0.969 -1.256 -5.522 1.00 35.34 C ATOM 309 C PHE A 20 -2.153 -1.081 -4.594 1.00 65.35 C ATOM 310 O PHE A 20 -2.784 -2.059 -4.180 1.00 71.45 O ATOM 311 CB PHE A 20 -1.315 -0.669 -6.899 1.00 22.52 C ATOM 312 CG PHE A 20 -0.153 -0.254 -7.765 1.00 51.41 C ATOM 313 CD1 PHE A 20 0.615 -1.182 -8.424 1.00 11.40 C ATOM 314 CD2 PHE A 20 0.153 1.088 -7.920 1.00 4.44 C ATOM 315 CE1 PHE A 20 1.671 -0.792 -9.216 1.00 73.45 C ATOM 316 CE2 PHE A 20 1.206 1.489 -8.710 1.00 24.41 C ATOM 317 CZ PHE A 20 1.968 0.546 -9.362 1.00 35.24 C ATOM 0 H PHE A 20 -1.328 -3.322 -5.613 1.00 53.00 H new ATOM 0 HA PHE A 20 -0.111 -0.710 -5.129 1.00 35.34 H new ATOM 0 HB2 PHE A 20 -1.902 -1.406 -7.446 1.00 22.52 H new ATOM 0 HB3 PHE A 20 -1.955 0.200 -6.748 1.00 22.52 H new ATOM 0 HD1 PHE A 20 0.387 -2.233 -8.319 1.00 11.40 H new ATOM 0 HD2 PHE A 20 -0.444 1.831 -7.413 1.00 4.44 H new ATOM 0 HE1 PHE A 20 2.268 -1.535 -9.724 1.00 73.45 H new ATOM 0 HE2 PHE A 20 1.434 2.539 -8.818 1.00 24.41 H new ATOM 0 HZ PHE A 20 2.795 0.853 -9.985 1.00 35.24 H new ATOM 327 N ILE A 21 -2.470 0.171 -4.294 1.00 23.43 N ATOM 328 CA ILE A 21 -3.556 0.533 -3.390 1.00 12.34 C ATOM 329 C ILE A 21 -4.189 1.827 -3.900 1.00 40.15 C ATOM 330 O ILE A 21 -3.472 2.700 -4.390 1.00 71.42 O ATOM 331 CB ILE A 21 -3.015 0.792 -1.935 1.00 15.23 C ATOM 332 CG1 ILE A 21 -2.252 -0.424 -1.401 1.00 50.11 C ATOM 333 CG2 ILE A 21 -4.156 1.147 -0.993 1.00 11.42 C ATOM 334 CD1 ILE A 21 -1.649 -0.224 -0.025 1.00 73.41 C ATOM 0 H ILE A 21 -1.974 0.976 -4.676 1.00 23.43 H new ATOM 0 HA ILE A 21 -4.277 -0.284 -3.359 1.00 12.34 H new ATOM 0 HB ILE A 21 -2.324 1.633 -1.985 1.00 15.23 H new ATOM 0 HG12 ILE A 21 -2.929 -1.278 -1.368 1.00 50.11 H new ATOM 0 HG13 ILE A 21 -1.456 -0.675 -2.101 1.00 50.11 H new ATOM 0 HG21 ILE A 21 -3.761 1.322 0.008 1.00 11.42 H new ATOM 0 HG22 ILE A 21 -4.655 2.048 -1.349 1.00 11.42 H new ATOM 0 HG23 ILE A 21 -4.871 0.325 -0.962 1.00 11.42 H new ATOM 0 HD11 ILE A 21 -1.127 -1.131 0.279 1.00 73.41 H new ATOM 0 HD12 ILE A 21 -0.945 0.608 -0.054 1.00 73.41 H new ATOM 0 HD13 ILE A 21 -2.441 -0.004 0.691 1.00 73.41 H new ATOM 346 N GLU A 22 -5.511 1.944 -3.836 1.00 4.33 N ATOM 347 CA GLU A 22 -6.149 3.190 -4.189 1.00 42.02 C ATOM 348 C GLU A 22 -7.306 3.372 -3.251 1.00 4.12 C ATOM 349 O GLU A 22 -7.979 2.403 -2.901 1.00 63.33 O ATOM 350 CB GLU A 22 -6.656 3.216 -5.662 1.00 42.45 C ATOM 351 CG GLU A 22 -7.931 2.415 -5.925 1.00 33.41 C ATOM 352 CD GLU A 22 -8.328 2.394 -7.383 1.00 32.42 C ATOM 353 OE1 GLU A 22 -9.072 3.290 -7.822 1.00 13.21 O ATOM 354 OE2 GLU A 22 -7.907 1.473 -8.117 1.00 3.31 O ATOM 0 H GLU A 22 -6.146 1.200 -3.547 1.00 4.33 H new ATOM 0 HA GLU A 22 -5.421 3.997 -4.105 1.00 42.02 H new ATOM 0 HB2 GLU A 22 -6.831 4.252 -5.951 1.00 42.45 H new ATOM 0 HB3 GLU A 22 -5.866 2.834 -6.308 1.00 42.45 H new ATOM 0 HG2 GLU A 22 -7.788 1.391 -5.579 1.00 33.41 H new ATOM 0 HG3 GLU A 22 -8.746 2.839 -5.339 1.00 33.41 H new ATOM 361 N GLN A 23 -7.530 4.554 -2.790 1.00 12.55 N ATOM 362 CA GLN A 23 -8.700 4.747 -1.994 1.00 34.21 C ATOM 363 C GLN A 23 -9.840 4.986 -2.873 1.00 10.43 C ATOM 364 O GLN A 23 -9.697 5.598 -3.938 1.00 52.15 O ATOM 365 CB GLN A 23 -8.573 5.851 -0.940 1.00 50.44 C ATOM 366 CG GLN A 23 -8.242 7.205 -1.477 1.00 12.20 C ATOM 367 CD GLN A 23 -8.023 8.225 -0.388 1.00 71.34 C ATOM 368 OE1 GLN A 23 -8.937 8.917 0.025 1.00 31.24 O ATOM 369 NE2 GLN A 23 -6.838 8.265 0.124 1.00 74.10 N ATOM 0 H GLN A 23 -6.945 5.376 -2.940 1.00 12.55 H new ATOM 0 HA GLN A 23 -8.847 3.833 -1.419 1.00 34.21 H new ATOM 0 HB2 GLN A 23 -9.511 5.915 -0.389 1.00 50.44 H new ATOM 0 HB3 GLN A 23 -7.802 5.562 -0.225 1.00 50.44 H new ATOM 0 HG2 GLN A 23 -7.345 7.138 -2.092 1.00 12.20 H new ATOM 0 HG3 GLN A 23 -9.050 7.541 -2.127 1.00 12.20 H new ATOM 0 HE21 GLN A 23 -6.100 7.669 -0.251 1.00 74.10 H new ATOM 0 HE22 GLN A 23 -6.640 8.893 0.903 1.00 74.10 H new ATOM 378 N ASP A 24 -10.964 4.523 -2.438 1.00 72.31 N ATOM 379 CA ASP A 24 -12.227 4.663 -3.144 1.00 14.31 C ATOM 380 C ASP A 24 -12.584 6.125 -3.314 1.00 22.40 C ATOM 381 O ASP A 24 -13.454 6.479 -4.094 1.00 1.52 O ATOM 382 CB ASP A 24 -13.317 3.969 -2.349 1.00 50.41 C ATOM 383 CG ASP A 24 -13.030 2.514 -2.125 1.00 5.22 C ATOM 384 OD1 ASP A 24 -12.213 2.203 -1.248 1.00 64.02 O ATOM 385 OD2 ASP A 24 -13.596 1.654 -2.831 1.00 33.21 O ATOM 0 H ASP A 24 -11.049 4.019 -1.556 1.00 72.31 H new ATOM 0 HA ASP A 24 -12.133 4.210 -4.131 1.00 14.31 H new ATOM 0 HB2 ASP A 24 -13.431 4.466 -1.385 1.00 50.41 H new ATOM 0 HB3 ASP A 24 -14.266 4.072 -2.875 1.00 50.41 H new ATOM 390 N ASN A 25 -11.894 6.971 -2.581 1.00 21.12 N ATOM 391 CA ASN A 25 -12.121 8.378 -2.636 1.00 1.41 C ATOM 392 C ASN A 25 -11.290 9.011 -3.741 1.00 73.33 C ATOM 393 O ASN A 25 -11.437 10.189 -4.018 1.00 22.32 O ATOM 394 CB ASN A 25 -11.804 9.036 -1.284 1.00 53.23 C ATOM 395 CG ASN A 25 -12.657 8.518 -0.123 1.00 23.13 C ATOM 396 OD1 ASN A 25 -13.890 8.156 -0.389 1.00 33.01 O flip ATOM 397 ND2 ASN A 25 -12.200 8.468 1.014 1.00 43.30 N flip ATOM 0 H ASN A 25 -11.160 6.690 -1.931 1.00 21.12 H new ATOM 0 HA ASN A 25 -13.176 8.542 -2.858 1.00 1.41 H new ATOM 0 HB2 ASN A 25 -10.752 8.872 -1.050 1.00 53.23 H new ATOM 0 HB3 ASN A 25 -11.946 10.113 -1.374 1.00 53.23 H new ATOM 0 HD21 ASN A 25 -11.238 8.756 1.190 1.00 43.30 H new ATOM 0 HD22 ASN A 25 -12.782 8.138 1.784 1.00 43.30 H new ATOM 404 N GLY A 26 -10.425 8.230 -4.403 1.00 53.22 N ATOM 405 CA GLY A 26 -9.635 8.822 -5.455 1.00 74.43 C ATOM 406 C GLY A 26 -8.171 8.973 -5.104 1.00 71.14 C ATOM 407 O GLY A 26 -7.616 10.069 -5.197 1.00 4.20 O ATOM 0 H GLY A 26 -10.268 7.237 -4.231 1.00 53.22 H new ATOM 0 HA2 GLY A 26 -9.723 8.209 -6.352 1.00 74.43 H new ATOM 0 HA3 GLY A 26 -10.045 9.803 -5.697 1.00 74.43 H new ATOM 411 N GLY A 27 -7.552 7.901 -4.663 1.00 12.45 N ATOM 412 CA GLY A 27 -6.129 7.962 -4.350 1.00 55.24 C ATOM 413 C GLY A 27 -5.298 7.655 -5.590 1.00 74.11 C ATOM 414 O GLY A 27 -5.721 6.853 -6.433 1.00 50.14 O ATOM 0 H GLY A 27 -7.992 6.993 -4.513 1.00 12.45 H new ATOM 0 HA2 GLY A 27 -5.876 8.952 -3.971 1.00 55.24 H new ATOM 0 HA3 GLY A 27 -5.893 7.248 -3.561 1.00 55.24 H new ATOM 418 N LYS A 28 -4.141 8.286 -5.710 1.00 21.23 N ATOM 419 CA LYS A 28 -3.288 8.135 -6.894 1.00 42.31 C ATOM 420 C LYS A 28 -2.496 6.823 -6.907 1.00 44.22 C ATOM 421 O LYS A 28 -2.671 5.961 -6.040 1.00 3.25 O ATOM 422 CB LYS A 28 -2.351 9.329 -7.031 1.00 51.33 C ATOM 423 CG LYS A 28 -3.072 10.639 -7.275 1.00 35.22 C ATOM 424 CD LYS A 28 -2.097 11.780 -7.405 1.00 70.21 C ATOM 425 CE LYS A 28 -2.821 13.093 -7.656 1.00 12.10 C ATOM 426 NZ LYS A 28 -1.892 14.240 -7.735 1.00 10.12 N ATOM 0 H LYS A 28 -3.763 8.913 -5.000 1.00 21.23 H new ATOM 0 HA LYS A 28 -3.956 8.098 -7.754 1.00 42.31 H new ATOM 0 HB2 LYS A 28 -1.752 9.417 -6.124 1.00 51.33 H new ATOM 0 HB3 LYS A 28 -1.659 9.145 -7.853 1.00 51.33 H new ATOM 0 HG2 LYS A 28 -3.671 10.564 -8.182 1.00 35.22 H new ATOM 0 HG3 LYS A 28 -3.760 10.837 -6.453 1.00 35.22 H new ATOM 0 HD2 LYS A 28 -1.501 11.858 -6.496 1.00 70.21 H new ATOM 0 HD3 LYS A 28 -1.406 11.580 -8.224 1.00 70.21 H new ATOM 0 HE2 LYS A 28 -3.386 13.022 -8.585 1.00 12.10 H new ATOM 0 HE3 LYS A 28 -3.542 13.266 -6.857 1.00 12.10 H new ATOM 0 HZ1 LYS A 28 -2.431 15.112 -7.907 1.00 10.12 H new ATOM 0 HZ2 LYS A 28 -1.370 14.326 -6.840 1.00 10.12 H new ATOM 0 HZ3 LYS A 28 -1.220 14.089 -8.514 1.00 10.12 H new ATOM 440 N ASP A 29 -1.643 6.675 -7.915 1.00 5.14 N ATOM 441 CA ASP A 29 -0.814 5.480 -8.087 1.00 75.14 C ATOM 442 C ASP A 29 0.243 5.373 -7.022 1.00 40.43 C ATOM 443 O ASP A 29 1.285 6.040 -7.092 1.00 25.11 O ATOM 444 CB ASP A 29 -0.114 5.449 -9.458 1.00 52.01 C ATOM 445 CG ASP A 29 -1.039 5.334 -10.633 1.00 14.12 C ATOM 446 OD1 ASP A 29 -1.742 6.314 -10.939 1.00 61.23 O ATOM 447 OD2 ASP A 29 -1.045 4.269 -11.298 1.00 53.35 O ATOM 0 H ASP A 29 -1.504 7.380 -8.639 1.00 5.14 H new ATOM 0 HA ASP A 29 -1.501 4.637 -8.011 1.00 75.14 H new ATOM 0 HB2 ASP A 29 0.480 6.357 -9.568 1.00 52.01 H new ATOM 0 HB3 ASP A 29 0.581 4.609 -9.477 1.00 52.01 H new ATOM 452 N VAL A 30 -0.019 4.584 -6.042 1.00 4.42 N ATOM 453 CA VAL A 30 0.942 4.290 -5.030 1.00 4.31 C ATOM 454 C VAL A 30 1.044 2.781 -4.891 1.00 1.32 C ATOM 455 O VAL A 30 0.029 2.088 -4.687 1.00 71.40 O ATOM 456 CB VAL A 30 0.622 5.000 -3.666 1.00 13.03 C ATOM 457 CG1 VAL A 30 -0.732 4.641 -3.119 1.00 23.42 C ATOM 458 CG2 VAL A 30 1.662 4.680 -2.643 1.00 53.21 C ATOM 0 H VAL A 30 -0.917 4.117 -5.915 1.00 4.42 H new ATOM 0 HA VAL A 30 1.910 4.691 -5.329 1.00 4.31 H new ATOM 0 HB VAL A 30 0.622 6.069 -3.879 1.00 13.03 H new ATOM 0 HG11 VAL A 30 -0.894 5.163 -2.176 1.00 23.42 H new ATOM 0 HG12 VAL A 30 -1.502 4.934 -3.833 1.00 23.42 H new ATOM 0 HG13 VAL A 30 -0.783 3.565 -2.951 1.00 23.42 H new ATOM 0 HG21 VAL A 30 1.419 5.183 -1.707 1.00 53.21 H new ATOM 0 HG22 VAL A 30 1.692 3.603 -2.479 1.00 53.21 H new ATOM 0 HG23 VAL A 30 2.636 5.020 -2.995 1.00 53.21 H new ATOM 468 N PHE A 31 2.235 2.251 -5.054 1.00 61.33 N ATOM 469 CA PHE A 31 2.387 0.827 -5.010 1.00 22.15 C ATOM 470 C PHE A 31 2.720 0.361 -3.625 1.00 13.22 C ATOM 471 O PHE A 31 3.366 1.062 -2.871 1.00 64.02 O ATOM 472 CB PHE A 31 3.401 0.288 -6.054 1.00 22.13 C ATOM 473 CG PHE A 31 4.842 0.691 -5.891 1.00 23.43 C ATOM 474 CD1 PHE A 31 5.698 -0.067 -5.104 1.00 14.40 C ATOM 475 CD2 PHE A 31 5.346 1.797 -6.542 1.00 61.52 C ATOM 476 CE1 PHE A 31 7.024 0.278 -4.970 1.00 41.01 C ATOM 477 CE2 PHE A 31 6.674 2.147 -6.406 1.00 35.02 C ATOM 478 CZ PHE A 31 7.514 1.387 -5.623 1.00 23.02 C ATOM 0 H PHE A 31 3.093 2.778 -5.215 1.00 61.33 H new ATOM 0 HA PHE A 31 1.421 0.405 -5.287 1.00 22.15 H new ATOM 0 HB2 PHE A 31 3.352 -0.801 -6.040 1.00 22.13 H new ATOM 0 HB3 PHE A 31 3.071 0.610 -7.042 1.00 22.13 H new ATOM 0 HD1 PHE A 31 5.319 -0.938 -4.590 1.00 14.40 H new ATOM 0 HD2 PHE A 31 4.696 2.395 -7.164 1.00 61.52 H new ATOM 0 HE1 PHE A 31 7.679 -0.320 -4.354 1.00 41.01 H new ATOM 0 HE2 PHE A 31 7.056 3.020 -6.915 1.00 35.02 H new ATOM 0 HZ PHE A 31 8.554 1.660 -5.521 1.00 23.02 H new ATOM 488 N VAL A 32 2.269 -0.795 -3.292 1.00 61.41 N ATOM 489 CA VAL A 32 2.557 -1.355 -2.019 1.00 61.15 C ATOM 490 C VAL A 32 3.614 -2.426 -2.178 1.00 44.20 C ATOM 491 O VAL A 32 3.481 -3.342 -2.988 1.00 12.54 O ATOM 492 CB VAL A 32 1.283 -1.899 -1.289 1.00 1.12 C ATOM 493 CG1 VAL A 32 0.553 -2.956 -2.103 1.00 31.53 C ATOM 494 CG2 VAL A 32 1.631 -2.431 0.095 1.00 2.30 C ATOM 0 H VAL A 32 1.690 -1.380 -3.894 1.00 61.41 H new ATOM 0 HA VAL A 32 2.939 -0.562 -1.376 1.00 61.15 H new ATOM 0 HB VAL A 32 0.602 -1.055 -1.177 1.00 1.12 H new ATOM 0 HG11 VAL A 32 -0.322 -3.300 -1.552 1.00 31.53 H new ATOM 0 HG12 VAL A 32 0.238 -2.529 -3.055 1.00 31.53 H new ATOM 0 HG13 VAL A 32 1.220 -3.798 -2.287 1.00 31.53 H new ATOM 0 HG21 VAL A 32 0.728 -2.802 0.580 1.00 2.30 H new ATOM 0 HG22 VAL A 32 2.353 -3.242 0.002 1.00 2.30 H new ATOM 0 HG23 VAL A 32 2.061 -1.629 0.695 1.00 2.30 H new ATOM 504 N HIS A 33 4.673 -2.274 -1.463 1.00 40.44 N ATOM 505 CA HIS A 33 5.745 -3.220 -1.503 1.00 74.33 C ATOM 506 C HIS A 33 5.755 -3.992 -0.189 1.00 35.23 C ATOM 507 O HIS A 33 5.366 -3.449 0.832 1.00 12.32 O ATOM 508 CB HIS A 33 7.074 -2.487 -1.756 1.00 32.23 C ATOM 509 CG HIS A 33 8.214 -3.415 -1.855 1.00 54.24 C ATOM 510 ND1 HIS A 33 9.266 -3.592 -1.062 1.00 64.31 N flip ATOM 511 CD2 HIS A 33 8.282 -4.390 -2.799 1.00 62.03 C flip ATOM 512 CE1 HIS A 33 9.938 -4.666 -1.521 1.00 31.13 C flip ATOM 513 NE2 HIS A 33 9.316 -5.132 -2.568 1.00 74.32 N flip ATOM 0 H HIS A 33 4.826 -1.489 -0.830 1.00 40.44 H new ATOM 0 HA HIS A 33 5.609 -3.930 -2.319 1.00 74.33 H new ATOM 0 HB2 HIS A 33 6.998 -1.909 -2.677 1.00 32.23 H new ATOM 0 HB3 HIS A 33 7.255 -1.778 -0.948 1.00 32.23 H new ATOM 0 HD2 HIS A 33 7.584 -4.524 -3.612 1.00 62.03 H new ATOM 0 HE1 HIS A 33 10.842 -5.073 -1.093 1.00 31.13 H new ATOM 0 HE2 HIS A 33 9.598 -5.946 -3.114 1.00 74.32 H new ATOM 522 N LYS A 34 6.199 -5.247 -0.214 1.00 20.41 N ATOM 523 CA LYS A 34 6.166 -6.104 0.976 1.00 24.23 C ATOM 524 C LYS A 34 6.960 -5.541 2.155 1.00 12.24 C ATOM 525 O LYS A 34 6.696 -5.889 3.287 1.00 24.15 O ATOM 526 CB LYS A 34 6.544 -7.554 0.674 1.00 14.01 C ATOM 527 CG LYS A 34 6.475 -8.452 1.900 1.00 32.12 C ATOM 528 CD LYS A 34 6.737 -9.874 1.573 1.00 64.11 C ATOM 529 CE LYS A 34 6.795 -10.719 2.829 1.00 64.35 C ATOM 530 NZ LYS A 34 7.097 -12.132 2.536 1.00 25.21 N ATOM 0 H LYS A 34 6.586 -5.696 -1.044 1.00 20.41 H new ATOM 0 HA LYS A 34 5.122 -6.109 1.290 1.00 24.23 H new ATOM 0 HB2 LYS A 34 5.877 -7.945 -0.095 1.00 14.01 H new ATOM 0 HB3 LYS A 34 7.554 -7.583 0.265 1.00 14.01 H new ATOM 0 HG2 LYS A 34 7.201 -8.112 2.638 1.00 32.12 H new ATOM 0 HG3 LYS A 34 5.490 -8.363 2.358 1.00 32.12 H new ATOM 0 HD2 LYS A 34 5.954 -10.249 0.914 1.00 64.11 H new ATOM 0 HD3 LYS A 34 7.678 -9.958 1.030 1.00 64.11 H new ATOM 0 HE2 LYS A 34 7.555 -10.318 3.500 1.00 64.35 H new ATOM 0 HE3 LYS A 34 5.841 -10.654 3.353 1.00 64.35 H new ATOM 0 HZ1 LYS A 34 7.127 -12.672 3.424 1.00 25.21 H new ATOM 0 HZ2 LYS A 34 6.359 -12.524 1.917 1.00 25.21 H new ATOM 0 HZ3 LYS A 34 8.019 -12.198 2.060 1.00 25.21 H new ATOM 544 N SER A 35 7.914 -4.673 1.897 1.00 22.42 N ATOM 545 CA SER A 35 8.599 -3.975 2.992 1.00 73.24 C ATOM 546 C SER A 35 7.582 -3.213 3.895 1.00 44.35 C ATOM 547 O SER A 35 7.847 -2.957 5.067 1.00 70.24 O ATOM 548 CB SER A 35 9.641 -3.028 2.438 1.00 52.11 C ATOM 549 OG SER A 35 10.538 -3.740 1.608 1.00 74.03 O ATOM 0 H SER A 35 8.237 -4.429 0.961 1.00 22.42 H new ATOM 0 HA SER A 35 9.100 -4.719 3.612 1.00 73.24 H new ATOM 0 HB2 SER A 35 9.158 -2.232 1.870 1.00 52.11 H new ATOM 0 HB3 SER A 35 10.185 -2.552 3.254 1.00 52.11 H new ATOM 0 HG SER A 35 10.276 -3.627 0.670 1.00 74.03 H new ATOM 555 N ALA A 36 6.410 -2.886 3.339 1.00 53.03 N ATOM 556 CA ALA A 36 5.347 -2.258 4.098 1.00 13.41 C ATOM 557 C ALA A 36 4.635 -3.294 4.940 1.00 74.34 C ATOM 558 O ALA A 36 4.202 -3.007 6.058 1.00 22.43 O ATOM 559 CB ALA A 36 4.373 -1.594 3.191 1.00 53.24 C ATOM 0 H ALA A 36 6.182 -3.051 2.359 1.00 53.03 H new ATOM 0 HA ALA A 36 5.788 -1.502 4.748 1.00 13.41 H new ATOM 0 HB1 ALA A 36 3.584 -1.129 3.782 1.00 53.24 H new ATOM 0 HB2 ALA A 36 4.884 -0.831 2.604 1.00 53.24 H new ATOM 0 HB3 ALA A 36 3.936 -2.335 2.521 1.00 53.24 H new ATOM 565 N VAL A 37 4.500 -4.505 4.382 1.00 75.31 N ATOM 566 CA VAL A 37 3.986 -5.639 5.135 1.00 44.51 C ATOM 567 C VAL A 37 4.926 -5.890 6.258 1.00 35.14 C ATOM 568 O VAL A 37 4.525 -5.959 7.380 1.00 33.32 O ATOM 569 CB VAL A 37 3.870 -6.953 4.288 1.00 14.10 C ATOM 570 CG1 VAL A 37 3.535 -8.155 5.195 1.00 64.13 C ATOM 571 CG2 VAL A 37 2.793 -6.795 3.222 1.00 51.31 C ATOM 0 H VAL A 37 4.741 -4.716 3.414 1.00 75.31 H new ATOM 0 HA VAL A 37 2.979 -5.388 5.468 1.00 44.51 H new ATOM 0 HB VAL A 37 4.829 -7.137 3.804 1.00 14.10 H new ATOM 0 HG11 VAL A 37 3.459 -9.058 4.589 1.00 64.13 H new ATOM 0 HG12 VAL A 37 4.323 -8.282 5.937 1.00 64.13 H new ATOM 0 HG13 VAL A 37 2.586 -7.976 5.701 1.00 64.13 H new ATOM 0 HG21 VAL A 37 2.720 -7.713 2.639 1.00 51.31 H new ATOM 0 HG22 VAL A 37 1.835 -6.592 3.700 1.00 51.31 H new ATOM 0 HG23 VAL A 37 3.052 -5.966 2.563 1.00 51.31 H new ATOM 581 N ASP A 38 6.188 -5.963 5.917 1.00 34.44 N ATOM 582 CA ASP A 38 7.267 -6.224 6.846 1.00 72.53 C ATOM 583 C ASP A 38 7.312 -5.193 7.959 1.00 64.22 C ATOM 584 O ASP A 38 7.633 -5.525 9.096 1.00 13.43 O ATOM 585 CB ASP A 38 8.597 -6.255 6.097 1.00 61.42 C ATOM 586 CG ASP A 38 9.769 -6.547 6.992 1.00 42.52 C ATOM 587 OD1 ASP A 38 9.985 -7.727 7.321 1.00 35.54 O ATOM 588 OD2 ASP A 38 10.516 -5.609 7.349 1.00 3.23 O ATOM 0 H ASP A 38 6.506 -5.839 4.956 1.00 34.44 H new ATOM 0 HA ASP A 38 7.087 -7.195 7.308 1.00 72.53 H new ATOM 0 HB2 ASP A 38 8.549 -7.011 5.313 1.00 61.42 H new ATOM 0 HB3 ASP A 38 8.753 -5.295 5.605 1.00 61.42 H new ATOM 593 N ALA A 39 6.934 -3.947 7.635 1.00 44.34 N ATOM 594 CA ALA A 39 6.941 -2.852 8.608 1.00 44.24 C ATOM 595 C ALA A 39 6.029 -3.135 9.799 1.00 43.22 C ATOM 596 O ALA A 39 6.281 -2.673 10.918 1.00 2.04 O ATOM 597 CB ALA A 39 6.511 -1.560 7.940 1.00 61.10 C ATOM 0 H ALA A 39 6.619 -3.676 6.703 1.00 44.34 H new ATOM 0 HA ALA A 39 7.961 -2.759 8.982 1.00 44.24 H new ATOM 0 HB1 ALA A 39 6.519 -0.752 8.671 1.00 61.10 H new ATOM 0 HB2 ALA A 39 7.200 -1.323 7.129 1.00 61.10 H new ATOM 0 HB3 ALA A 39 5.504 -1.676 7.539 1.00 61.10 H new ATOM 603 N ALA A 40 4.979 -3.883 9.571 1.00 4.43 N ATOM 604 CA ALA A 40 4.022 -4.154 10.627 1.00 10.32 C ATOM 605 C ALA A 40 3.729 -5.635 10.751 1.00 54.20 C ATOM 606 O ALA A 40 2.961 -6.048 11.611 1.00 42.21 O ATOM 607 CB ALA A 40 2.736 -3.403 10.338 1.00 20.22 C ATOM 0 H ALA A 40 4.761 -4.315 8.673 1.00 4.43 H new ATOM 0 HA ALA A 40 4.452 -3.820 11.571 1.00 10.32 H new ATOM 0 HB1 ALA A 40 2.013 -3.603 11.128 1.00 20.22 H new ATOM 0 HB2 ALA A 40 2.941 -2.333 10.296 1.00 20.22 H new ATOM 0 HB3 ALA A 40 2.329 -3.733 9.382 1.00 20.22 H new ATOM 613 N GLY A 41 4.365 -6.421 9.914 1.00 14.35 N ATOM 614 CA GLY A 41 4.068 -7.841 9.793 1.00 34.25 C ATOM 615 C GLY A 41 2.607 -8.049 9.502 1.00 54.13 C ATOM 616 O GLY A 41 1.895 -8.728 10.249 1.00 63.42 O ATOM 0 H GLY A 41 5.107 -6.098 9.293 1.00 14.35 H new ATOM 0 HA2 GLY A 41 4.670 -8.278 8.996 1.00 34.25 H new ATOM 0 HA3 GLY A 41 4.338 -8.355 10.715 1.00 34.25 H new ATOM 620 N LEU A 42 2.159 -7.414 8.442 1.00 44.32 N ATOM 621 CA LEU A 42 0.788 -7.476 8.005 1.00 12.42 C ATOM 622 C LEU A 42 0.520 -8.937 7.590 1.00 14.41 C ATOM 623 O LEU A 42 1.375 -9.563 6.968 1.00 43.45 O ATOM 624 CB LEU A 42 0.638 -6.491 6.820 1.00 21.32 C ATOM 625 CG LEU A 42 -0.755 -5.950 6.483 1.00 21.34 C ATOM 626 CD1 LEU A 42 -1.724 -7.036 6.077 1.00 63.30 C ATOM 627 CD2 LEU A 42 -1.301 -5.119 7.632 1.00 14.41 C ATOM 0 H LEU A 42 2.751 -6.830 7.851 1.00 44.32 H new ATOM 0 HA LEU A 42 0.070 -7.194 8.775 1.00 12.42 H new ATOM 0 HB2 LEU A 42 1.285 -5.636 7.017 1.00 21.32 H new ATOM 0 HB3 LEU A 42 1.025 -6.985 5.929 1.00 21.32 H new ATOM 0 HG LEU A 42 -0.643 -5.304 5.612 1.00 21.34 H new ATOM 0 HD11 LEU A 42 -2.694 -6.592 5.850 1.00 63.30 H new ATOM 0 HD12 LEU A 42 -1.345 -7.550 5.194 1.00 63.30 H new ATOM 0 HD13 LEU A 42 -1.834 -7.750 6.894 1.00 63.30 H new ATOM 0 HD21 LEU A 42 -2.291 -4.744 7.372 1.00 14.41 H new ATOM 0 HD22 LEU A 42 -1.371 -5.737 8.527 1.00 14.41 H new ATOM 0 HD23 LEU A 42 -0.634 -4.278 7.822 1.00 14.41 H new ATOM 639 N HIS A 43 -0.628 -9.477 7.961 1.00 0.13 N ATOM 640 CA HIS A 43 -0.909 -10.892 7.729 1.00 44.40 C ATOM 641 C HIS A 43 -0.910 -11.238 6.232 1.00 71.42 C ATOM 642 O HIS A 43 -0.085 -12.038 5.782 1.00 34.12 O ATOM 643 CB HIS A 43 -2.237 -11.306 8.400 1.00 52.40 C ATOM 644 CG HIS A 43 -2.530 -12.787 8.369 1.00 34.13 C ATOM 645 ND1 HIS A 43 -3.114 -13.567 7.428 1.00 72.33 N flip ATOM 646 CD2 HIS A 43 -2.223 -13.627 9.413 1.00 25.33 C flip ATOM 647 CE1 HIS A 43 -3.139 -14.845 7.920 1.00 31.13 C flip ATOM 648 NE2 HIS A 43 -2.597 -14.851 9.119 1.00 15.10 N flip ATOM 0 H HIS A 43 -1.380 -8.964 8.422 1.00 0.13 H new ATOM 0 HA HIS A 43 -0.103 -11.465 8.188 1.00 44.40 H new ATOM 0 HB2 HIS A 43 -2.221 -10.975 9.438 1.00 52.40 H new ATOM 0 HB3 HIS A 43 -3.055 -10.778 7.910 1.00 52.40 H new ATOM 0 HD2 HIS A 43 -1.747 -13.326 10.334 1.00 25.33 H new ATOM 0 HE1 HIS A 43 -3.539 -15.707 7.407 1.00 31.13 H new ATOM 0 HE2 HIS A 43 -2.486 -15.668 9.719 1.00 15.10 H new ATOM 657 N SER A 44 -1.801 -10.623 5.478 1.00 43.24 N ATOM 658 CA SER A 44 -1.937 -10.891 4.047 1.00 63.31 C ATOM 659 C SER A 44 -2.656 -9.728 3.370 1.00 11.54 C ATOM 660 O SER A 44 -3.453 -9.031 4.010 1.00 51.45 O ATOM 661 CB SER A 44 -2.753 -12.186 3.811 1.00 51.11 C ATOM 662 OG SER A 44 -2.147 -13.323 4.416 1.00 74.33 O ATOM 0 H SER A 44 -2.453 -9.924 5.833 1.00 43.24 H new ATOM 0 HA SER A 44 -0.939 -11.012 3.625 1.00 63.31 H new ATOM 0 HB2 SER A 44 -3.759 -12.057 4.211 1.00 51.11 H new ATOM 0 HB3 SER A 44 -2.855 -12.358 2.740 1.00 51.11 H new ATOM 0 HG SER A 44 -2.445 -13.396 5.347 1.00 74.33 H new ATOM 668 N LEU A 45 -2.367 -9.511 2.105 1.00 22.12 N ATOM 669 CA LEU A 45 -3.046 -8.496 1.326 1.00 60.35 C ATOM 670 C LEU A 45 -3.658 -9.125 0.104 1.00 3.03 C ATOM 671 O LEU A 45 -3.112 -10.068 -0.465 1.00 51.22 O ATOM 672 CB LEU A 45 -2.096 -7.396 0.868 1.00 32.32 C ATOM 673 CG LEU A 45 -1.376 -6.596 1.942 1.00 41.24 C ATOM 674 CD1 LEU A 45 -0.392 -5.647 1.288 1.00 4.13 C ATOM 675 CD2 LEU A 45 -2.376 -5.809 2.778 1.00 54.11 C ATOM 0 H LEU A 45 -1.658 -10.031 1.588 1.00 22.12 H new ATOM 0 HA LEU A 45 -3.809 -8.054 1.966 1.00 60.35 H new ATOM 0 HB2 LEU A 45 -1.342 -7.850 0.225 1.00 32.32 H new ATOM 0 HB3 LEU A 45 -2.663 -6.698 0.252 1.00 32.32 H new ATOM 0 HG LEU A 45 -0.841 -7.283 2.598 1.00 41.24 H new ATOM 0 HD11 LEU A 45 0.125 -5.073 2.057 1.00 4.13 H new ATOM 0 HD12 LEU A 45 0.335 -6.218 0.711 1.00 4.13 H new ATOM 0 HD13 LEU A 45 -0.928 -4.967 0.626 1.00 4.13 H new ATOM 0 HD21 LEU A 45 -1.845 -5.242 3.542 1.00 54.11 H new ATOM 0 HD22 LEU A 45 -2.928 -5.123 2.135 1.00 54.11 H new ATOM 0 HD23 LEU A 45 -3.072 -6.498 3.256 1.00 54.11 H new ATOM 687 N GLU A 46 -4.763 -8.599 -0.289 1.00 62.12 N ATOM 688 CA GLU A 46 -5.487 -9.030 -1.451 1.00 11.40 C ATOM 689 C GLU A 46 -6.396 -7.898 -1.816 1.00 23.21 C ATOM 690 O GLU A 46 -6.634 -7.017 -0.972 1.00 43.23 O ATOM 691 CB GLU A 46 -6.296 -10.312 -1.156 1.00 0.22 C ATOM 692 CG GLU A 46 -7.317 -10.163 -0.035 1.00 21.13 C ATOM 693 CD GLU A 46 -8.080 -11.429 0.239 1.00 14.54 C ATOM 694 OE1 GLU A 46 -9.106 -11.659 -0.416 1.00 44.44 O ATOM 695 OE2 GLU A 46 -7.666 -12.210 1.125 1.00 3.11 O ATOM 0 H GLU A 46 -5.212 -7.826 0.203 1.00 62.12 H new ATOM 0 HA GLU A 46 -4.810 -9.275 -2.269 1.00 11.40 H new ATOM 0 HB2 GLU A 46 -6.814 -10.619 -2.065 1.00 0.22 H new ATOM 0 HB3 GLU A 46 -5.604 -11.113 -0.898 1.00 0.22 H new ATOM 0 HG2 GLU A 46 -6.805 -9.850 0.875 1.00 21.13 H new ATOM 0 HG3 GLU A 46 -8.020 -9.371 -0.294 1.00 21.13 H new ATOM 702 N GLU A 47 -6.900 -7.880 -3.020 1.00 72.52 N ATOM 703 CA GLU A 47 -7.765 -6.802 -3.415 1.00 2.52 C ATOM 704 C GLU A 47 -9.071 -6.867 -2.665 1.00 30.11 C ATOM 705 O GLU A 47 -9.536 -7.946 -2.284 1.00 11.13 O ATOM 706 CB GLU A 47 -7.994 -6.705 -4.930 1.00 22.21 C ATOM 707 CG GLU A 47 -8.550 -7.944 -5.601 1.00 20.13 C ATOM 708 CD GLU A 47 -7.545 -9.068 -5.713 1.00 41.14 C ATOM 709 OE1 GLU A 47 -6.738 -9.055 -6.659 1.00 21.13 O ATOM 710 OE2 GLU A 47 -7.543 -9.981 -4.850 1.00 51.11 O ATOM 0 H GLU A 47 -6.730 -8.588 -3.735 1.00 72.52 H new ATOM 0 HA GLU A 47 -7.244 -5.883 -3.145 1.00 2.52 H new ATOM 0 HB2 GLU A 47 -8.675 -5.876 -5.122 1.00 22.21 H new ATOM 0 HB3 GLU A 47 -7.046 -6.454 -5.405 1.00 22.21 H new ATOM 0 HG2 GLU A 47 -9.416 -8.295 -5.039 1.00 20.13 H new ATOM 0 HG3 GLU A 47 -8.903 -7.681 -6.598 1.00 20.13 H new ATOM 717 N GLY A 48 -9.636 -5.729 -2.433 1.00 13.24 N ATOM 718 CA GLY A 48 -10.856 -5.654 -1.659 1.00 55.34 C ATOM 719 C GLY A 48 -10.597 -5.329 -0.193 1.00 75.04 C ATOM 720 O GLY A 48 -11.512 -4.933 0.534 1.00 61.45 O ATOM 0 H GLY A 48 -9.282 -4.831 -2.763 1.00 13.24 H new ATOM 0 HA2 GLY A 48 -11.508 -4.893 -2.087 1.00 55.34 H new ATOM 0 HA3 GLY A 48 -11.386 -6.604 -1.729 1.00 55.34 H new ATOM 724 N GLN A 49 -9.360 -5.501 0.242 1.00 3.05 N ATOM 725 CA GLN A 49 -8.971 -5.194 1.603 1.00 62.24 C ATOM 726 C GLN A 49 -8.715 -3.733 1.754 1.00 73.23 C ATOM 727 O GLN A 49 -7.975 -3.156 0.975 1.00 5.43 O ATOM 728 CB GLN A 49 -7.714 -5.963 1.974 1.00 33.24 C ATOM 729 CG GLN A 49 -7.920 -7.446 2.160 1.00 14.22 C ATOM 730 CD GLN A 49 -8.430 -7.865 3.543 1.00 60.24 C ATOM 731 OE1 GLN A 49 -9.186 -7.021 4.217 1.00 13.35 O flip ATOM 732 NE2 GLN A 49 -8.124 -8.965 4.001 1.00 71.52 N flip ATOM 0 H GLN A 49 -8.601 -5.857 -0.339 1.00 3.05 H new ATOM 0 HA GLN A 49 -9.786 -5.486 2.266 1.00 62.24 H new ATOM 0 HB2 GLN A 49 -6.966 -5.808 1.197 1.00 33.24 H new ATOM 0 HB3 GLN A 49 -7.308 -5.547 2.896 1.00 33.24 H new ATOM 0 HG2 GLN A 49 -8.628 -7.796 1.408 1.00 14.22 H new ATOM 0 HG3 GLN A 49 -6.975 -7.955 1.969 1.00 14.22 H new ATOM 0 HE21 GLN A 49 -7.538 -9.598 3.458 1.00 71.52 H new ATOM 0 HE22 GLN A 49 -8.457 -9.244 4.924 1.00 71.52 H new ATOM 741 N ASP A 50 -9.326 -3.132 2.726 1.00 15.14 N ATOM 742 CA ASP A 50 -9.053 -1.738 2.997 1.00 63.13 C ATOM 743 C ASP A 50 -7.894 -1.643 3.933 1.00 34.45 C ATOM 744 O ASP A 50 -7.784 -2.429 4.899 1.00 42.33 O ATOM 745 CB ASP A 50 -10.258 -0.958 3.518 1.00 41.34 C ATOM 746 CG ASP A 50 -11.367 -0.824 2.505 1.00 42.45 C ATOM 747 OD1 ASP A 50 -11.237 -0.017 1.565 1.00 2.31 O ATOM 748 OD2 ASP A 50 -12.391 -1.530 2.631 1.00 62.44 O ATOM 0 H ASP A 50 -10.010 -3.569 3.343 1.00 15.14 H new ATOM 0 HA ASP A 50 -8.808 -1.264 2.047 1.00 63.13 H new ATOM 0 HB2 ASP A 50 -10.646 -1.454 4.407 1.00 41.34 H new ATOM 0 HB3 ASP A 50 -9.933 0.036 3.824 1.00 41.34 H new ATOM 753 N VAL A 51 -7.038 -0.718 3.670 1.00 42.44 N ATOM 754 CA VAL A 51 -5.812 -0.610 4.369 1.00 12.35 C ATOM 755 C VAL A 51 -5.461 0.854 4.617 1.00 3.53 C ATOM 756 O VAL A 51 -5.912 1.750 3.905 1.00 61.12 O ATOM 757 CB VAL A 51 -4.688 -1.338 3.561 1.00 15.32 C ATOM 758 CG1 VAL A 51 -4.463 -0.709 2.183 1.00 62.04 C ATOM 759 CG2 VAL A 51 -3.395 -1.444 4.341 1.00 54.14 C ATOM 0 H VAL A 51 -7.175 -0.006 2.952 1.00 42.44 H new ATOM 0 HA VAL A 51 -5.907 -1.090 5.343 1.00 12.35 H new ATOM 0 HB VAL A 51 -5.044 -2.355 3.394 1.00 15.32 H new ATOM 0 HG11 VAL A 51 -3.673 -1.249 1.661 1.00 62.04 H new ATOM 0 HG12 VAL A 51 -5.384 -0.763 1.603 1.00 62.04 H new ATOM 0 HG13 VAL A 51 -4.171 0.334 2.303 1.00 62.04 H new ATOM 0 HG21 VAL A 51 -2.647 -1.957 3.737 1.00 54.14 H new ATOM 0 HG22 VAL A 51 -3.037 -0.445 4.590 1.00 54.14 H new ATOM 0 HG23 VAL A 51 -3.569 -2.007 5.258 1.00 54.14 H new ATOM 769 N ILE A 52 -4.703 1.077 5.637 1.00 51.40 N ATOM 770 CA ILE A 52 -4.251 2.395 5.995 1.00 62.52 C ATOM 771 C ILE A 52 -2.740 2.368 5.947 1.00 41.32 C ATOM 772 O ILE A 52 -2.129 1.442 6.476 1.00 53.03 O ATOM 773 CB ILE A 52 -4.727 2.764 7.423 1.00 33.44 C ATOM 774 CG1 ILE A 52 -6.252 2.584 7.514 1.00 15.12 C ATOM 775 CG2 ILE A 52 -4.330 4.209 7.767 1.00 64.53 C ATOM 776 CD1 ILE A 52 -6.802 2.614 8.919 1.00 71.14 C ATOM 0 H ILE A 52 -4.370 0.342 6.261 1.00 51.40 H new ATOM 0 HA ILE A 52 -4.655 3.140 5.309 1.00 62.52 H new ATOM 0 HB ILE A 52 -4.246 2.103 8.144 1.00 33.44 H new ATOM 0 HG12 ILE A 52 -6.733 3.370 6.932 1.00 15.12 H new ATOM 0 HG13 ILE A 52 -6.521 1.634 7.052 1.00 15.12 H new ATOM 0 HG21 ILE A 52 -4.672 4.451 8.773 1.00 64.53 H new ATOM 0 HG22 ILE A 52 -3.246 4.310 7.719 1.00 64.53 H new ATOM 0 HG23 ILE A 52 -4.790 4.892 7.053 1.00 64.53 H new ATOM 0 HD11 ILE A 52 -7.883 2.480 8.889 1.00 71.14 H new ATOM 0 HD12 ILE A 52 -6.353 1.811 9.503 1.00 71.14 H new ATOM 0 HD13 ILE A 52 -6.568 3.573 9.381 1.00 71.14 H new ATOM 788 N PHE A 53 -2.141 3.332 5.305 1.00 75.41 N ATOM 789 CA PHE A 53 -0.694 3.337 5.145 1.00 43.44 C ATOM 790 C PHE A 53 -0.140 4.733 5.203 1.00 64.43 C ATOM 791 O PHE A 53 -0.873 5.687 5.384 1.00 14.20 O ATOM 792 CB PHE A 53 -0.312 2.700 3.796 1.00 71.35 C ATOM 793 CG PHE A 53 -0.936 3.356 2.581 1.00 50.34 C ATOM 794 CD1 PHE A 53 -2.196 2.985 2.145 1.00 2.03 C ATOM 795 CD2 PHE A 53 -0.248 4.327 1.868 1.00 11.22 C ATOM 796 CE1 PHE A 53 -2.755 3.568 1.033 1.00 3.24 C ATOM 797 CE2 PHE A 53 -0.804 4.905 0.750 1.00 52.44 C ATOM 798 CZ PHE A 53 -2.057 4.525 0.333 1.00 60.30 C ATOM 0 H PHE A 53 -2.621 4.126 4.882 1.00 75.41 H new ATOM 0 HA PHE A 53 -0.268 2.760 5.966 1.00 43.44 H new ATOM 0 HB2 PHE A 53 0.772 2.731 3.691 1.00 71.35 H new ATOM 0 HB3 PHE A 53 -0.601 1.649 3.812 1.00 71.35 H new ATOM 0 HD1 PHE A 53 -2.746 2.229 2.685 1.00 2.03 H new ATOM 0 HD2 PHE A 53 0.735 4.633 2.194 1.00 11.22 H new ATOM 0 HE1 PHE A 53 -3.743 3.275 0.709 1.00 3.24 H new ATOM 0 HE2 PHE A 53 -0.256 5.657 0.201 1.00 52.44 H new ATOM 0 HZ PHE A 53 -2.494 4.978 -0.545 1.00 60.30 H new ATOM 808 N ASP A 54 1.150 4.844 5.069 1.00 40.51 N ATOM 809 CA ASP A 54 1.793 6.115 4.937 1.00 3.42 C ATOM 810 C ASP A 54 2.447 6.152 3.610 1.00 22.21 C ATOM 811 O ASP A 54 2.684 5.102 3.001 1.00 22.33 O ATOM 812 CB ASP A 54 2.819 6.405 6.038 1.00 24.11 C ATOM 813 CG ASP A 54 2.201 6.605 7.388 1.00 22.34 C ATOM 814 OD1 ASP A 54 1.661 7.694 7.652 1.00 15.44 O ATOM 815 OD2 ASP A 54 2.250 5.686 8.209 1.00 64.42 O ATOM 0 H ASP A 54 1.788 4.048 5.048 1.00 40.51 H new ATOM 0 HA ASP A 54 1.033 6.890 5.036 1.00 3.42 H new ATOM 0 HB2 ASP A 54 3.529 5.579 6.090 1.00 24.11 H new ATOM 0 HB3 ASP A 54 3.386 7.296 5.770 1.00 24.11 H new ATOM 820 N LEU A 55 2.725 7.313 3.147 1.00 62.32 N ATOM 821 CA LEU A 55 3.312 7.479 1.867 1.00 35.31 C ATOM 822 C LEU A 55 4.407 8.501 1.908 1.00 3.53 C ATOM 823 O LEU A 55 4.256 9.575 2.483 1.00 62.04 O ATOM 824 CB LEU A 55 2.231 7.846 0.848 1.00 22.34 C ATOM 825 CG LEU A 55 2.668 8.227 -0.567 1.00 0.34 C ATOM 826 CD1 LEU A 55 3.579 7.179 -1.141 1.00 31.01 C ATOM 827 CD2 LEU A 55 1.438 8.393 -1.462 1.00 20.34 C ATOM 0 H LEU A 55 2.551 8.184 3.648 1.00 62.32 H new ATOM 0 HA LEU A 55 3.767 6.538 1.558 1.00 35.31 H new ATOM 0 HB2 LEU A 55 1.548 7.000 0.769 1.00 22.34 H new ATOM 0 HB3 LEU A 55 1.660 8.680 1.255 1.00 22.34 H new ATOM 0 HG LEU A 55 3.212 9.170 -0.520 1.00 0.34 H new ATOM 0 HD11 LEU A 55 3.878 7.469 -2.148 1.00 31.01 H new ATOM 0 HD12 LEU A 55 4.464 7.083 -0.513 1.00 31.01 H new ATOM 0 HD13 LEU A 55 3.056 6.224 -1.179 1.00 31.01 H new ATOM 0 HD21 LEU A 55 1.755 8.664 -2.469 1.00 20.34 H new ATOM 0 HD22 LEU A 55 0.884 7.455 -1.496 1.00 20.34 H new ATOM 0 HD23 LEU A 55 0.798 9.178 -1.059 1.00 20.34 H new ATOM 839 N GLU A 56 5.499 8.147 1.325 1.00 73.53 N ATOM 840 CA GLU A 56 6.634 9.009 1.198 1.00 24.14 C ATOM 841 C GLU A 56 7.064 9.008 -0.242 1.00 14.24 C ATOM 842 O GLU A 56 6.942 7.985 -0.936 1.00 63.32 O ATOM 843 CB GLU A 56 7.776 8.568 2.115 1.00 12.02 C ATOM 844 CG GLU A 56 7.410 8.609 3.588 1.00 43.34 C ATOM 845 CD GLU A 56 8.547 8.239 4.489 1.00 61.20 C ATOM 846 OE1 GLU A 56 8.758 7.051 4.742 1.00 62.22 O ATOM 847 OE2 GLU A 56 9.250 9.152 4.986 1.00 35.02 O ATOM 0 H GLU A 56 5.636 7.225 0.910 1.00 73.53 H new ATOM 0 HA GLU A 56 6.363 10.019 1.504 1.00 24.14 H new ATOM 0 HB2 GLU A 56 8.075 7.554 1.850 1.00 12.02 H new ATOM 0 HB3 GLU A 56 8.640 9.211 1.944 1.00 12.02 H new ATOM 0 HG2 GLU A 56 7.065 9.611 3.842 1.00 43.34 H new ATOM 0 HG3 GLU A 56 6.577 7.930 3.768 1.00 43.34 H new ATOM 854 N GLU A 57 7.536 10.124 -0.702 1.00 30.33 N ATOM 855 CA GLU A 57 7.905 10.260 -2.077 1.00 22.31 C ATOM 856 C GLU A 57 9.322 9.795 -2.331 1.00 12.40 C ATOM 857 O GLU A 57 10.291 10.404 -1.872 1.00 13.52 O ATOM 858 CB GLU A 57 7.683 11.687 -2.558 1.00 4.30 C ATOM 859 CG GLU A 57 8.108 11.937 -3.987 1.00 62.42 C ATOM 860 CD GLU A 57 7.714 13.302 -4.458 1.00 51.52 C ATOM 861 OE1 GLU A 57 8.404 14.280 -4.140 1.00 34.34 O ATOM 862 OE2 GLU A 57 6.694 13.415 -5.162 1.00 30.42 O ATOM 0 H GLU A 57 7.676 10.963 -0.139 1.00 30.33 H new ATOM 0 HA GLU A 57 7.255 9.607 -2.660 1.00 22.31 H new ATOM 0 HB2 GLU A 57 6.625 11.931 -2.458 1.00 4.30 H new ATOM 0 HB3 GLU A 57 8.230 12.367 -1.905 1.00 4.30 H new ATOM 0 HG2 GLU A 57 9.189 11.823 -4.069 1.00 62.42 H new ATOM 0 HG3 GLU A 57 7.658 11.186 -4.636 1.00 62.42 H new ATOM 869 N LYS A 58 9.420 8.714 -3.056 1.00 63.45 N ATOM 870 CA LYS A 58 10.672 8.141 -3.451 1.00 50.35 C ATOM 871 C LYS A 58 11.133 8.868 -4.702 1.00 43.01 C ATOM 872 O LYS A 58 10.807 8.460 -5.815 1.00 50.22 O ATOM 873 CB LYS A 58 10.471 6.647 -3.743 1.00 0.50 C ATOM 874 CG LYS A 58 11.726 5.865 -4.086 1.00 31.03 C ATOM 875 CD LYS A 58 12.718 5.856 -2.937 1.00 64.22 C ATOM 876 CE LYS A 58 13.914 4.989 -3.268 1.00 5.11 C ATOM 877 NZ LYS A 58 14.923 4.990 -2.194 1.00 21.01 N ATOM 0 H LYS A 58 8.609 8.196 -3.395 1.00 63.45 H new ATOM 0 HA LYS A 58 11.420 8.241 -2.664 1.00 50.35 H new ATOM 0 HB2 LYS A 58 10.005 6.186 -2.872 1.00 0.50 H new ATOM 0 HB3 LYS A 58 9.768 6.549 -4.570 1.00 0.50 H new ATOM 0 HG2 LYS A 58 11.457 4.840 -4.341 1.00 31.03 H new ATOM 0 HG3 LYS A 58 12.196 6.301 -4.968 1.00 31.03 H new ATOM 0 HD2 LYS A 58 13.047 6.874 -2.727 1.00 64.22 H new ATOM 0 HD3 LYS A 58 12.233 5.485 -2.034 1.00 64.22 H new ATOM 0 HE2 LYS A 58 13.580 3.967 -3.448 1.00 5.11 H new ATOM 0 HE3 LYS A 58 14.371 5.342 -4.192 1.00 5.11 H new ATOM 0 HZ1 LYS A 58 15.722 4.383 -2.467 1.00 21.01 H new ATOM 0 HZ2 LYS A 58 15.263 5.960 -2.038 1.00 21.01 H new ATOM 0 HZ3 LYS A 58 14.497 4.628 -1.317 1.00 21.01 H new ATOM 891 N GLN A 59 11.813 9.994 -4.495 1.00 71.11 N ATOM 892 CA GLN A 59 12.257 10.910 -5.560 1.00 3.52 C ATOM 893 C GLN A 59 11.050 11.578 -6.241 1.00 22.53 C ATOM 894 O GLN A 59 10.811 12.775 -6.064 1.00 0.44 O ATOM 895 CB GLN A 59 13.150 10.224 -6.603 1.00 2.14 C ATOM 896 CG GLN A 59 13.606 11.171 -7.692 1.00 54.33 C ATOM 897 CD GLN A 59 14.347 10.493 -8.805 1.00 63.54 C ATOM 898 OE1 GLN A 59 15.016 9.483 -8.607 1.00 42.02 O ATOM 899 NE2 GLN A 59 14.226 11.032 -9.983 1.00 55.52 N ATOM 0 H GLN A 59 12.080 10.308 -3.562 1.00 71.11 H new ATOM 0 HA GLN A 59 12.865 11.676 -5.078 1.00 3.52 H new ATOM 0 HB2 GLN A 59 14.023 9.800 -6.106 1.00 2.14 H new ATOM 0 HB3 GLN A 59 12.605 9.394 -7.053 1.00 2.14 H new ATOM 0 HG2 GLN A 59 12.737 11.683 -8.104 1.00 54.33 H new ATOM 0 HG3 GLN A 59 14.247 11.935 -7.252 1.00 54.33 H new ATOM 0 HE21 GLN A 59 13.660 11.872 -10.104 1.00 55.52 H new ATOM 0 HE22 GLN A 59 14.697 10.615 -10.786 1.00 55.52 H new ATOM 908 N GLY A 60 10.320 10.801 -7.011 1.00 14.05 N ATOM 909 CA GLY A 60 9.111 11.259 -7.651 1.00 14.14 C ATOM 910 C GLY A 60 8.056 10.166 -7.648 1.00 1.05 C ATOM 911 O GLY A 60 6.898 10.393 -8.008 1.00 21.53 O ATOM 0 H GLY A 60 10.552 9.828 -7.210 1.00 14.05 H new ATOM 0 HA2 GLY A 60 8.731 12.140 -7.134 1.00 14.14 H new ATOM 0 HA3 GLY A 60 9.327 11.560 -8.676 1.00 14.14 H new ATOM 915 N LYS A 61 8.460 8.987 -7.207 1.00 23.52 N ATOM 916 CA LYS A 61 7.610 7.830 -7.172 1.00 63.35 C ATOM 917 C LYS A 61 6.914 7.738 -5.797 1.00 22.45 C ATOM 918 O LYS A 61 7.297 8.434 -4.853 1.00 33.20 O ATOM 919 CB LYS A 61 8.461 6.575 -7.490 1.00 50.03 C ATOM 920 CG LYS A 61 7.694 5.263 -7.579 1.00 32.14 C ATOM 921 CD LYS A 61 6.574 5.317 -8.619 1.00 11.02 C ATOM 922 CE LYS A 61 7.086 5.580 -10.027 1.00 63.11 C ATOM 923 NZ LYS A 61 5.982 5.630 -11.014 1.00 44.11 N ATOM 0 H LYS A 61 9.403 8.814 -6.860 1.00 23.52 H new ATOM 0 HA LYS A 61 6.824 7.903 -7.924 1.00 63.35 H new ATOM 0 HB2 LYS A 61 8.976 6.738 -8.436 1.00 50.03 H new ATOM 0 HB3 LYS A 61 9.228 6.475 -6.722 1.00 50.03 H new ATOM 0 HG2 LYS A 61 8.384 4.458 -7.832 1.00 32.14 H new ATOM 0 HG3 LYS A 61 7.270 5.025 -6.603 1.00 32.14 H new ATOM 0 HD2 LYS A 61 6.028 4.374 -8.607 1.00 11.02 H new ATOM 0 HD3 LYS A 61 5.866 6.099 -8.343 1.00 11.02 H new ATOM 0 HE2 LYS A 61 7.632 6.523 -10.045 1.00 63.11 H new ATOM 0 HE3 LYS A 61 7.791 4.798 -10.309 1.00 63.11 H new ATOM 0 HZ1 LYS A 61 6.371 5.811 -11.961 1.00 44.11 H new ATOM 0 HZ2 LYS A 61 5.476 4.721 -11.015 1.00 44.11 H new ATOM 0 HZ3 LYS A 61 5.323 6.393 -10.759 1.00 44.11 H new ATOM 937 N ALA A 62 5.895 6.916 -5.698 1.00 11.21 N ATOM 938 CA ALA A 62 5.113 6.800 -4.494 1.00 3.11 C ATOM 939 C ALA A 62 4.892 5.331 -4.135 1.00 14.23 C ATOM 940 O ALA A 62 4.408 4.553 -4.967 1.00 52.34 O ATOM 941 CB ALA A 62 3.769 7.489 -4.719 1.00 11.33 C ATOM 0 H ALA A 62 5.586 6.307 -6.455 1.00 11.21 H new ATOM 0 HA ALA A 62 5.644 7.274 -3.669 1.00 3.11 H new ATOM 0 HB1 ALA A 62 3.164 7.410 -3.816 1.00 11.33 H new ATOM 0 HB2 ALA A 62 3.934 8.540 -4.955 1.00 11.33 H new ATOM 0 HB3 ALA A 62 3.248 7.009 -5.548 1.00 11.33 H new ATOM 947 N TYR A 63 5.251 4.949 -2.911 1.00 73.24 N ATOM 948 CA TYR A 63 4.997 3.599 -2.440 1.00 71.04 C ATOM 949 C TYR A 63 4.465 3.612 -1.017 1.00 45.10 C ATOM 950 O TYR A 63 4.897 4.416 -0.181 1.00 31.13 O ATOM 951 CB TYR A 63 6.210 2.668 -2.573 1.00 63.05 C ATOM 952 CG TYR A 63 7.409 2.964 -1.696 1.00 74.34 C ATOM 953 CD1 TYR A 63 8.215 4.078 -1.903 1.00 13.30 C ATOM 954 CD2 TYR A 63 7.736 2.106 -0.654 1.00 64.23 C ATOM 955 CE1 TYR A 63 9.310 4.319 -1.090 1.00 25.23 C ATOM 956 CE2 TYR A 63 8.825 2.340 0.154 1.00 62.43 C ATOM 957 CZ TYR A 63 9.607 3.444 -0.065 1.00 54.12 C ATOM 958 OH TYR A 63 10.700 3.673 0.740 1.00 3.12 O ATOM 0 H TYR A 63 5.716 5.555 -2.235 1.00 73.24 H new ATOM 0 HA TYR A 63 4.230 3.186 -3.095 1.00 71.04 H new ATOM 0 HB2 TYR A 63 5.880 1.651 -2.362 1.00 63.05 H new ATOM 0 HB3 TYR A 63 6.538 2.687 -3.612 1.00 63.05 H new ATOM 0 HD1 TYR A 63 7.985 4.762 -2.706 1.00 13.30 H new ATOM 0 HD2 TYR A 63 7.122 1.236 -0.474 1.00 64.23 H new ATOM 0 HE1 TYR A 63 9.929 5.188 -1.257 1.00 25.23 H new ATOM 0 HE2 TYR A 63 9.062 1.657 0.957 1.00 62.43 H new ATOM 0 HH TYR A 63 10.765 2.963 1.412 1.00 3.12 H new ATOM 968 N ALA A 64 3.513 2.754 -0.784 1.00 73.44 N ATOM 969 CA ALA A 64 2.836 2.627 0.494 1.00 22.51 C ATOM 970 C ALA A 64 3.700 1.901 1.504 1.00 1.10 C ATOM 971 O ALA A 64 4.337 0.885 1.185 1.00 53.13 O ATOM 972 CB ALA A 64 1.521 1.889 0.300 1.00 22.14 C ATOM 0 H ALA A 64 3.171 2.102 -1.490 1.00 73.44 H new ATOM 0 HA ALA A 64 2.640 3.626 0.882 1.00 22.51 H new ATOM 0 HB1 ALA A 64 1.012 1.793 1.259 1.00 22.14 H new ATOM 0 HB2 ALA A 64 0.889 2.447 -0.392 1.00 22.14 H new ATOM 0 HB3 ALA A 64 1.717 0.897 -0.107 1.00 22.14 H new ATOM 978 N VAL A 65 3.715 2.426 2.711 1.00 24.32 N ATOM 979 CA VAL A 65 4.476 1.866 3.820 1.00 64.51 C ATOM 980 C VAL A 65 3.630 1.891 5.084 1.00 41.22 C ATOM 981 O VAL A 65 2.612 2.568 5.117 1.00 33.20 O ATOM 982 CB VAL A 65 5.812 2.641 4.087 1.00 31.42 C ATOM 983 CG1 VAL A 65 6.748 2.559 2.900 1.00 21.01 C ATOM 984 CG2 VAL A 65 5.552 4.100 4.456 1.00 61.52 C ATOM 0 H VAL A 65 3.193 3.266 2.958 1.00 24.32 H new ATOM 0 HA VAL A 65 4.734 0.843 3.546 1.00 64.51 H new ATOM 0 HB VAL A 65 6.294 2.156 4.936 1.00 31.42 H new ATOM 0 HG11 VAL A 65 7.664 3.107 3.120 1.00 21.01 H new ATOM 0 HG12 VAL A 65 6.989 1.515 2.698 1.00 21.01 H new ATOM 0 HG13 VAL A 65 6.266 2.995 2.025 1.00 21.01 H new ATOM 0 HG21 VAL A 65 6.501 4.605 4.634 1.00 61.52 H new ATOM 0 HG22 VAL A 65 5.026 4.594 3.639 1.00 61.52 H new ATOM 0 HG23 VAL A 65 4.943 4.144 5.359 1.00 61.52 H new ATOM 994 N ASN A 66 4.057 1.142 6.108 1.00 41.44 N ATOM 995 CA ASN A 66 3.381 1.102 7.431 1.00 5.42 C ATOM 996 C ASN A 66 1.912 0.712 7.285 1.00 72.32 C ATOM 997 O ASN A 66 1.015 1.535 7.480 1.00 1.24 O ATOM 998 CB ASN A 66 3.495 2.441 8.167 1.00 75.21 C ATOM 999 CG ASN A 66 3.195 2.350 9.679 1.00 72.43 C ATOM 1000 OD1 ASN A 66 2.400 1.515 10.146 1.00 3.14 O ATOM 1001 ND2 ASN A 66 3.830 3.198 10.444 1.00 53.11 N ATOM 0 H ASN A 66 4.881 0.543 6.053 1.00 41.44 H new ATOM 0 HA ASN A 66 3.890 0.343 8.025 1.00 5.42 H new ATOM 0 HB2 ASN A 66 4.502 2.836 8.029 1.00 75.21 H new ATOM 0 HB3 ASN A 66 2.808 3.154 7.712 1.00 75.21 H new ATOM 0 HD21 ASN A 66 3.680 3.186 11.453 1.00 53.11 H new ATOM 0 HD22 ASN A 66 4.476 3.871 10.032 1.00 53.11 H new ATOM 1008 N LEU A 67 1.661 -0.484 6.850 1.00 13.30 N ATOM 1009 CA LEU A 67 0.299 -0.880 6.613 1.00 45.12 C ATOM 1010 C LEU A 67 -0.443 -1.245 7.881 1.00 40.54 C ATOM 1011 O LEU A 67 0.109 -1.856 8.796 1.00 41.40 O ATOM 1012 CB LEU A 67 0.197 -2.033 5.647 1.00 21.40 C ATOM 1013 CG LEU A 67 0.814 -1.860 4.273 1.00 4.13 C ATOM 1014 CD1 LEU A 67 0.373 -2.975 3.427 1.00 71.04 C ATOM 1015 CD2 LEU A 67 0.433 -0.546 3.641 1.00 44.51 C ATOM 0 H LEU A 67 2.365 -1.196 6.653 1.00 13.30 H new ATOM 0 HA LEU A 67 -0.171 0.001 6.177 1.00 45.12 H new ATOM 0 HB2 LEU A 67 0.658 -2.903 6.114 1.00 21.40 H new ATOM 0 HB3 LEU A 67 -0.859 -2.265 5.513 1.00 21.40 H new ATOM 0 HG LEU A 67 1.899 -1.858 4.374 1.00 4.13 H new ATOM 0 HD11 LEU A 67 0.806 -2.870 2.432 1.00 71.04 H new ATOM 0 HD12 LEU A 67 0.699 -3.917 3.867 1.00 71.04 H new ATOM 0 HD13 LEU A 67 -0.714 -2.967 3.352 1.00 71.04 H new ATOM 0 HD21 LEU A 67 0.898 -0.466 2.658 1.00 44.51 H new ATOM 0 HD22 LEU A 67 -0.651 -0.494 3.535 1.00 44.51 H new ATOM 0 HD23 LEU A 67 0.776 0.274 4.272 1.00 44.51 H new ATOM 1027 N ARG A 68 -1.682 -0.845 7.923 1.00 11.01 N ATOM 1028 CA ARG A 68 -2.605 -1.176 8.944 1.00 12.22 C ATOM 1029 C ARG A 68 -3.817 -1.717 8.251 1.00 34.41 C ATOM 1030 O ARG A 68 -4.250 -1.132 7.265 1.00 2.52 O ATOM 1031 CB ARG A 68 -3.144 0.053 9.656 1.00 23.13 C ATOM 1032 CG ARG A 68 -2.245 0.968 10.473 1.00 61.32 C ATOM 1033 CD ARG A 68 -1.355 1.843 9.617 1.00 73.11 C ATOM 1034 NE ARG A 68 -0.861 2.986 10.388 1.00 61.15 N ATOM 1035 CZ ARG A 68 -0.074 3.955 9.920 1.00 70.13 C ATOM 1036 NH1 ARG A 68 0.475 3.853 8.735 1.00 3.35 N ATOM 1037 NH2 ARG A 68 0.180 5.020 10.667 1.00 30.01 N ATOM 0 H ARG A 68 -2.086 -0.248 7.202 1.00 11.01 H new ATOM 0 HA ARG A 68 -2.103 -1.843 9.645 1.00 12.22 H new ATOM 0 HB2 ARG A 68 -3.618 0.674 8.896 1.00 23.13 H new ATOM 0 HB3 ARG A 68 -3.933 -0.291 10.324 1.00 23.13 H new ATOM 0 HG2 ARG A 68 -2.863 1.601 11.110 1.00 61.32 H new ATOM 0 HG3 ARG A 68 -1.623 0.363 11.133 1.00 61.32 H new ATOM 0 HD2 ARG A 68 -0.514 1.259 9.242 1.00 73.11 H new ATOM 0 HD3 ARG A 68 -1.910 2.196 8.748 1.00 73.11 H new ATOM 0 HE ARG A 68 -1.143 3.046 11.366 1.00 61.15 H new ATOM 0 HH11 ARG A 68 0.302 3.027 8.162 1.00 3.35 H new ATOM 0 HH12 ARG A 68 1.076 4.599 8.385 1.00 3.35 H new ATOM 0 HH21 ARG A 68 -0.227 5.098 11.599 1.00 30.01 H new ATOM 0 HH22 ARG A 68 0.782 5.762 10.310 1.00 30.01 H new ATOM 1051 N ILE A 69 -4.375 -2.781 8.719 1.00 34.00 N ATOM 1052 CA ILE A 69 -5.609 -3.216 8.182 1.00 2.15 C ATOM 1053 C ILE A 69 -6.727 -2.389 8.751 1.00 12.53 C ATOM 1054 O ILE A 69 -6.752 -2.106 9.959 1.00 33.22 O ATOM 1055 CB ILE A 69 -5.894 -4.718 8.401 1.00 61.25 C ATOM 1056 CG1 ILE A 69 -5.863 -5.170 9.904 1.00 3.53 C ATOM 1057 CG2 ILE A 69 -4.994 -5.549 7.540 1.00 50.23 C ATOM 1058 CD1 ILE A 69 -4.544 -5.022 10.667 1.00 25.51 C ATOM 0 H ILE A 69 -3.996 -3.360 9.468 1.00 34.00 H new ATOM 0 HA ILE A 69 -5.542 -3.079 7.103 1.00 2.15 H new ATOM 0 HB ILE A 69 -6.926 -4.884 8.093 1.00 61.25 H new ATOM 0 HG12 ILE A 69 -6.625 -4.604 10.440 1.00 3.53 H new ATOM 0 HG13 ILE A 69 -6.157 -6.219 9.944 1.00 3.53 H new ATOM 0 HG21 ILE A 69 -5.206 -6.605 7.705 1.00 50.23 H new ATOM 0 HG22 ILE A 69 -5.165 -5.304 6.492 1.00 50.23 H new ATOM 0 HG23 ILE A 69 -3.954 -5.344 7.796 1.00 50.23 H new ATOM 0 HD11 ILE A 69 -4.674 -5.374 11.690 1.00 25.51 H new ATOM 0 HD12 ILE A 69 -3.771 -5.613 10.176 1.00 25.51 H new ATOM 0 HD13 ILE A 69 -4.246 -3.974 10.679 1.00 25.51 H new ATOM 1070 N LYS A 70 -7.593 -1.940 7.883 1.00 10.54 N ATOM 1071 CA LYS A 70 -8.757 -1.206 8.290 1.00 54.14 C ATOM 1072 C LYS A 70 -9.608 -2.080 9.196 1.00 51.41 C ATOM 1073 O LYS A 70 -10.197 -3.059 8.700 1.00 37.59 O ATOM 1074 CB LYS A 70 -9.587 -0.752 7.099 1.00 3.00 C ATOM 1075 CG LYS A 70 -10.718 0.152 7.510 1.00 53.33 C ATOM 1076 CD LYS A 70 -11.584 0.542 6.343 1.00 61.33 C ATOM 1077 CE LYS A 70 -12.707 1.451 6.786 1.00 30.42 C ATOM 1078 NZ LYS A 70 -13.605 1.808 5.671 1.00 72.25 N ATOM 1079 OXT LYS A 70 -9.702 -1.788 10.396 1.00 37.59 O ATOM 0 H LYS A 70 -7.510 -2.073 6.875 1.00 10.54 H new ATOM 0 HA LYS A 70 -8.424 -0.315 8.822 1.00 54.14 H new ATOM 0 HB2 LYS A 70 -8.946 -0.230 6.389 1.00 3.00 H new ATOM 0 HB3 LYS A 70 -9.989 -1.624 6.584 1.00 3.00 H new ATOM 0 HG2 LYS A 70 -11.328 -0.350 8.261 1.00 53.33 H new ATOM 0 HG3 LYS A 70 -10.313 1.050 7.976 1.00 53.33 H new ATOM 0 HD2 LYS A 70 -10.979 1.045 5.588 1.00 61.33 H new ATOM 0 HD3 LYS A 70 -11.997 -0.352 5.876 1.00 61.33 H new ATOM 0 HE2 LYS A 70 -13.282 0.960 7.571 1.00 30.42 H new ATOM 0 HE3 LYS A 70 -12.288 2.360 7.219 1.00 30.42 H new ATOM 0 HZ1 LYS A 70 -14.360 2.432 6.020 1.00 72.25 H new ATOM 0 HZ2 LYS A 70 -13.063 2.300 4.932 1.00 72.25 H new ATOM 0 HZ3 LYS A 70 -14.026 0.944 5.274 1.00 72.25 H new TER 1093 LYS A 70