USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 532 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 : no HD1:sc= 0 X(o=0.77,f=0.57) USER MOD Set 1.2: A 44 SER OG : rot -12:sc= 0.771 USER MOD Set 2.1: A 33 HIS : no HE2:sc= 0.628 K(o=0.62,f=-3.2!) USER MOD Set 2.2: A 35 SER OG : rot 180:sc=-0.00962 USER MOD Set 3.1: A 12 TYR OH : rot 180:sc= 0.11 USER MOD Set 3.2: A 17 ASN : amide:sc= -0.594 X(o=-0.48,f=-0.15) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.012 K(o=-0.012,f=-0.89) USER MOD Single : A 8 LYS NZ :NH3+ -173:sc= 1.25 (180deg=1.17) USER MOD Single : A 10 LYS NZ :NH3+ 171:sc= 1.25 (180deg=1.1) USER MOD Single : A 13 ASN : amide:sc= 0.991 K(o=0.99,f=-6.5!) 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+ 173:sc=-0.00267 (180deg=-0.0602) USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 25 ASN : amide:sc= -0.401 K(o=-0.4,f=-3!) USER MOD Single : A 28 LYS NZ :NH3+ -172:sc=-0.00608 (180deg=-0.0733) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.0542 F(o=-2.4!,f=-0.054) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.56) 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= 1.12 K(o=1.1,f=-2) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 3.745 11.632 4.012 1.00 15.52 N ATOM 21 CA ALA A 2 2.309 11.663 4.279 1.00 71.23 C ATOM 22 C ALA A 2 1.926 10.527 5.220 1.00 31.34 C ATOM 23 O ALA A 2 2.373 9.391 5.039 1.00 14.20 O ATOM 24 CB ALA A 2 1.525 11.570 2.978 1.00 21.23 C ATOM 0 HA ALA A 2 2.061 12.610 4.760 1.00 71.23 H new ATOM 0 HB1 ALA A 2 0.457 11.594 3.194 1.00 21.23 H new ATOM 0 HB2 ALA A 2 1.785 12.412 2.336 1.00 21.23 H new ATOM 0 HB3 ALA A 2 1.771 10.637 2.471 1.00 21.23 H new ATOM 30 N THR A 3 1.109 10.828 6.208 1.00 34.32 N ATOM 31 CA THR A 3 0.727 9.848 7.212 1.00 14.12 C ATOM 32 C THR A 3 -0.783 9.626 7.263 1.00 71.43 C ATOM 33 O THR A 3 -1.570 10.571 7.038 1.00 62.33 O ATOM 34 CB THR A 3 1.243 10.258 8.614 1.00 31.51 C ATOM 35 OG1 THR A 3 0.794 11.599 8.927 1.00 43.30 O ATOM 36 CG2 THR A 3 2.765 10.193 8.682 1.00 64.04 C ATOM 0 H THR A 3 0.692 11.750 6.340 1.00 34.32 H new ATOM 0 HA THR A 3 1.193 8.907 6.918 1.00 14.12 H new ATOM 0 HB THR A 3 0.840 9.556 9.345 1.00 31.51 H new ATOM 0 HG1 THR A 3 1.121 11.854 9.815 1.00 43.30 H new ATOM 0 HG21 THR A 3 3.098 10.486 9.678 1.00 64.04 H new ATOM 0 HG22 THR A 3 3.095 9.175 8.474 1.00 64.04 H new ATOM 0 HG23 THR A 3 3.192 10.871 7.943 1.00 64.04 H new ATOM 44 N ASN A 4 -1.166 8.384 7.559 1.00 22.33 N ATOM 45 CA ASN A 4 -2.564 7.941 7.672 1.00 22.55 C ATOM 46 C ASN A 4 -3.336 8.155 6.395 1.00 3.44 C ATOM 47 O ASN A 4 -4.057 9.146 6.229 1.00 43.34 O ATOM 48 CB ASN A 4 -3.312 8.540 8.885 1.00 64.44 C ATOM 49 CG ASN A 4 -2.733 8.104 10.219 1.00 13.53 C ATOM 50 OD1 ASN A 4 -2.178 7.008 10.349 1.00 32.12 O ATOM 51 ND2 ASN A 4 -2.862 8.941 11.217 1.00 11.42 N ATOM 0 H ASN A 4 -0.497 7.634 7.732 1.00 22.33 H new ATOM 0 HA ASN A 4 -2.505 6.868 7.852 1.00 22.55 H new ATOM 0 HB2 ASN A 4 -3.282 9.628 8.821 1.00 64.44 H new ATOM 0 HB3 ASN A 4 -4.361 8.247 8.838 1.00 64.44 H new ATOM 0 HD21 ASN A 4 -2.498 8.696 12.138 1.00 11.42 H new ATOM 0 HD22 ASN A 4 -3.326 9.838 11.074 1.00 11.42 H new ATOM 58 N ILE A 5 -3.130 7.275 5.474 1.00 20.34 N ATOM 59 CA ILE A 5 -3.802 7.321 4.207 1.00 70.13 C ATOM 60 C ILE A 5 -4.850 6.240 4.124 1.00 72.34 C ATOM 61 O ILE A 5 -4.688 5.164 4.702 1.00 25.12 O ATOM 62 CB ILE A 5 -2.801 7.137 3.058 1.00 60.44 C ATOM 63 CG1 ILE A 5 -1.711 8.177 3.187 1.00 52.42 C ATOM 64 CG2 ILE A 5 -3.489 7.215 1.686 1.00 23.21 C ATOM 65 CD1 ILE A 5 -0.740 8.164 2.068 1.00 3.15 C ATOM 0 H ILE A 5 -2.484 6.492 5.575 1.00 20.34 H new ATOM 0 HA ILE A 5 -4.280 8.297 4.118 1.00 70.13 H new ATOM 0 HB ILE A 5 -2.362 6.142 3.126 1.00 60.44 H new ATOM 0 HG12 ILE A 5 -2.169 9.164 3.248 1.00 52.42 H new ATOM 0 HG13 ILE A 5 -1.176 8.015 4.123 1.00 52.42 H new ATOM 0 HG21 ILE A 5 -2.747 7.080 0.899 1.00 23.21 H new ATOM 0 HG22 ILE A 5 -4.243 6.431 1.612 1.00 23.21 H new ATOM 0 HG23 ILE A 5 -3.965 8.189 1.573 1.00 23.21 H new ATOM 0 HD11 ILE A 5 0.012 8.937 2.230 1.00 3.15 H new ATOM 0 HD12 ILE A 5 -0.254 7.189 2.019 1.00 3.15 H new ATOM 0 HD13 ILE A 5 -1.262 8.356 1.131 1.00 3.15 H new ATOM 77 N VAL A 6 -5.901 6.536 3.424 1.00 53.33 N ATOM 78 CA VAL A 6 -6.971 5.614 3.210 1.00 75.40 C ATOM 79 C VAL A 6 -6.957 5.123 1.791 1.00 70.54 C ATOM 80 O VAL A 6 -6.747 5.903 0.848 1.00 24.54 O ATOM 81 CB VAL A 6 -8.355 6.259 3.492 1.00 63.14 C ATOM 82 CG1 VAL A 6 -9.501 5.330 3.065 1.00 43.23 C ATOM 83 CG2 VAL A 6 -8.486 6.620 4.959 1.00 44.34 C ATOM 0 H VAL A 6 -6.041 7.442 2.977 1.00 53.33 H new ATOM 0 HA VAL A 6 -6.821 4.786 3.903 1.00 75.40 H new ATOM 0 HB VAL A 6 -8.424 7.171 2.900 1.00 63.14 H new ATOM 0 HG11 VAL A 6 -10.456 5.810 3.276 1.00 43.23 H new ATOM 0 HG12 VAL A 6 -9.425 5.126 1.997 1.00 43.23 H new ATOM 0 HG13 VAL A 6 -9.436 4.394 3.619 1.00 43.23 H new ATOM 0 HG21 VAL A 6 -9.462 7.071 5.137 1.00 44.34 H new ATOM 0 HG22 VAL A 6 -8.386 5.720 5.566 1.00 44.34 H new ATOM 0 HG23 VAL A 6 -7.704 7.329 5.230 1.00 44.34 H new ATOM 93 N GLY A 7 -7.130 3.857 1.647 1.00 23.35 N ATOM 94 CA GLY A 7 -7.344 3.297 0.373 1.00 0.41 C ATOM 95 C GLY A 7 -7.553 1.839 0.414 1.00 74.20 C ATOM 96 O GLY A 7 -7.230 1.180 1.376 1.00 70.24 O ATOM 0 H GLY A 7 -7.126 3.185 2.414 1.00 23.35 H new ATOM 0 HA2 GLY A 7 -8.212 3.770 -0.085 1.00 0.41 H new ATOM 0 HA3 GLY A 7 -6.487 3.518 -0.264 1.00 0.41 H new ATOM 100 N LYS A 8 -8.112 1.354 -0.613 1.00 31.32 N ATOM 101 CA LYS A 8 -8.393 -0.022 -0.767 1.00 72.51 C ATOM 102 C LYS A 8 -7.321 -0.663 -1.615 1.00 72.12 C ATOM 103 O LYS A 8 -6.896 -0.087 -2.634 1.00 22.22 O ATOM 104 CB LYS A 8 -9.769 -0.155 -1.401 1.00 44.24 C ATOM 105 CG LYS A 8 -10.233 -1.567 -1.702 1.00 20.44 C ATOM 106 CD LYS A 8 -11.671 -1.556 -2.202 1.00 73.35 C ATOM 107 CE LYS A 8 -12.636 -1.147 -1.090 1.00 54.04 C ATOM 108 NZ LYS A 8 -14.010 -0.954 -1.580 1.00 44.25 N ATOM 0 H LYS A 8 -8.403 1.922 -1.409 1.00 31.32 H new ATOM 0 HA LYS A 8 -8.398 -0.533 0.196 1.00 72.51 H new ATOM 0 HB2 LYS A 8 -10.498 0.311 -0.739 1.00 44.24 H new ATOM 0 HB3 LYS A 8 -9.774 0.413 -2.331 1.00 44.24 H new ATOM 0 HG2 LYS A 8 -9.584 -2.018 -2.452 1.00 20.44 H new ATOM 0 HG3 LYS A 8 -10.158 -2.181 -0.804 1.00 20.44 H new ATOM 0 HD2 LYS A 8 -11.763 -0.865 -3.040 1.00 73.35 H new ATOM 0 HD3 LYS A 8 -11.938 -2.545 -2.574 1.00 73.35 H new ATOM 0 HE2 LYS A 8 -12.635 -1.911 -0.313 1.00 54.04 H new ATOM 0 HE3 LYS A 8 -12.285 -0.224 -0.630 1.00 54.04 H new ATOM 0 HZ1 LYS A 8 -14.599 -0.564 -0.817 1.00 44.25 H new ATOM 0 HZ2 LYS A 8 -14.003 -0.293 -2.383 1.00 44.25 H new ATOM 0 HZ3 LYS A 8 -14.401 -1.868 -1.887 1.00 44.25 H new ATOM 122 N VAL A 9 -6.863 -1.826 -1.180 1.00 51.22 N ATOM 123 CA VAL A 9 -5.863 -2.592 -1.880 1.00 74.23 C ATOM 124 C VAL A 9 -6.359 -2.849 -3.285 1.00 1.05 C ATOM 125 O VAL A 9 -7.338 -3.576 -3.496 1.00 53.32 O ATOM 126 CB VAL A 9 -5.541 -3.944 -1.155 1.00 62.12 C ATOM 127 CG1 VAL A 9 -4.459 -4.726 -1.898 1.00 3.12 C ATOM 128 CG2 VAL A 9 -5.097 -3.692 0.277 1.00 71.24 C ATOM 0 H VAL A 9 -7.185 -2.265 -0.317 1.00 51.22 H new ATOM 0 HA VAL A 9 -4.934 -2.022 -1.902 1.00 74.23 H new ATOM 0 HB VAL A 9 -6.455 -4.538 -1.147 1.00 62.12 H new ATOM 0 HG11 VAL A 9 -4.257 -5.659 -1.371 1.00 3.12 H new ATOM 0 HG12 VAL A 9 -4.800 -4.947 -2.910 1.00 3.12 H new ATOM 0 HG13 VAL A 9 -3.547 -4.131 -1.944 1.00 3.12 H new ATOM 0 HG21 VAL A 9 -4.878 -4.643 0.763 1.00 71.24 H new ATOM 0 HG22 VAL A 9 -4.202 -3.070 0.276 1.00 71.24 H new ATOM 0 HG23 VAL A 9 -5.892 -3.182 0.820 1.00 71.24 H new ATOM 138 N LYS A 10 -5.713 -2.196 -4.212 1.00 43.12 N ATOM 139 CA LYS A 10 -6.072 -2.221 -5.609 1.00 60.43 C ATOM 140 C LYS A 10 -5.708 -3.572 -6.186 1.00 32.14 C ATOM 141 O LYS A 10 -6.468 -4.161 -6.939 1.00 70.11 O ATOM 142 CB LYS A 10 -5.326 -1.069 -6.270 1.00 34.20 C ATOM 143 CG LYS A 10 -5.544 -0.818 -7.737 1.00 20.22 C ATOM 144 CD LYS A 10 -4.769 0.434 -8.112 1.00 52.20 C ATOM 145 CE LYS A 10 -4.764 0.736 -9.589 1.00 2.31 C ATOM 146 NZ LYS A 10 -6.118 0.932 -10.141 1.00 1.34 N ATOM 0 H LYS A 10 -4.899 -1.615 -4.014 1.00 43.12 H new ATOM 0 HA LYS A 10 -7.141 -2.091 -5.776 1.00 60.43 H new ATOM 0 HB2 LYS A 10 -5.587 -0.156 -5.735 1.00 34.20 H new ATOM 0 HB3 LYS A 10 -4.259 -1.234 -6.117 1.00 34.20 H new ATOM 0 HG2 LYS A 10 -5.203 -1.670 -8.325 1.00 20.22 H new ATOM 0 HG3 LYS A 10 -6.605 -0.689 -7.949 1.00 20.22 H new ATOM 0 HD2 LYS A 10 -5.194 1.285 -7.580 1.00 52.20 H new ATOM 0 HD3 LYS A 10 -3.739 0.327 -7.771 1.00 52.20 H new ATOM 0 HE2 LYS A 10 -4.171 1.633 -9.769 1.00 2.31 H new ATOM 0 HE3 LYS A 10 -4.276 -0.081 -10.120 1.00 2.31 H new ATOM 0 HZ1 LYS A 10 -6.047 1.284 -11.117 1.00 1.34 H new ATOM 0 HZ2 LYS A 10 -6.629 0.026 -10.136 1.00 1.34 H new ATOM 0 HZ3 LYS A 10 -6.633 1.624 -9.560 1.00 1.34 H new ATOM 160 N TRP A 11 -4.549 -4.047 -5.806 1.00 63.23 N ATOM 161 CA TRP A 11 -4.078 -5.383 -6.121 1.00 25.04 C ATOM 162 C TRP A 11 -2.787 -5.613 -5.423 1.00 70.12 C ATOM 163 O TRP A 11 -2.129 -4.653 -5.017 1.00 31.13 O ATOM 164 CB TRP A 11 -3.938 -5.678 -7.639 1.00 72.03 C ATOM 165 CG TRP A 11 -2.956 -4.838 -8.401 1.00 13.52 C ATOM 166 CD1 TRP A 11 -3.185 -3.644 -9.010 1.00 15.43 C ATOM 167 CD2 TRP A 11 -1.593 -5.165 -8.659 1.00 71.35 C ATOM 168 NE1 TRP A 11 -2.041 -3.204 -9.622 1.00 20.33 N ATOM 169 CE2 TRP A 11 -1.045 -4.124 -9.416 1.00 25.53 C ATOM 170 CE3 TRP A 11 -0.789 -6.242 -8.309 1.00 12.43 C ATOM 171 CZ2 TRP A 11 0.284 -4.131 -9.838 1.00 45.32 C ATOM 172 CZ3 TRP A 11 0.528 -6.253 -8.720 1.00 5.25 C ATOM 173 CH2 TRP A 11 1.053 -5.202 -9.478 1.00 43.11 C ATOM 0 H TRP A 11 -3.885 -3.505 -5.254 1.00 63.23 H new ATOM 0 HA TRP A 11 -4.842 -6.077 -5.771 1.00 25.04 H new ATOM 0 HB2 TRP A 11 -3.655 -6.724 -7.758 1.00 72.03 H new ATOM 0 HB3 TRP A 11 -4.918 -5.559 -8.101 1.00 72.03 H new ATOM 0 HD1 TRP A 11 -4.129 -3.120 -9.011 1.00 15.43 H new ATOM 0 HE1 TRP A 11 -1.946 -2.334 -10.146 1.00 20.33 H new ATOM 0 HE3 TRP A 11 -1.188 -7.058 -7.725 1.00 12.43 H new ATOM 0 HZ2 TRP A 11 0.690 -3.322 -10.427 1.00 45.32 H new ATOM 0 HZ3 TRP A 11 1.162 -7.085 -8.452 1.00 5.25 H new ATOM 0 HH2 TRP A 11 2.088 -5.237 -9.785 1.00 43.11 H new ATOM 184 N TYR A 12 -2.431 -6.848 -5.275 1.00 63.45 N ATOM 185 CA TYR A 12 -1.206 -7.228 -4.629 1.00 13.14 C ATOM 186 C TYR A 12 -0.862 -8.642 -4.998 1.00 61.12 C ATOM 187 O TYR A 12 -1.688 -9.544 -4.865 1.00 73.21 O ATOM 188 CB TYR A 12 -1.297 -7.081 -3.091 1.00 64.33 C ATOM 189 CG TYR A 12 -0.027 -7.509 -2.370 1.00 1.22 C ATOM 190 CD1 TYR A 12 1.084 -6.678 -2.326 1.00 63.32 C ATOM 191 CD2 TYR A 12 0.063 -8.754 -1.758 1.00 4.24 C ATOM 192 CE1 TYR A 12 2.247 -7.072 -1.691 1.00 34.11 C ATOM 193 CE2 TYR A 12 1.221 -9.155 -1.127 1.00 44.40 C ATOM 194 CZ TYR A 12 2.309 -8.315 -1.094 1.00 51.24 C ATOM 195 OH TYR A 12 3.474 -8.718 -0.464 1.00 61.22 O ATOM 0 H TYR A 12 -2.988 -7.637 -5.603 1.00 63.45 H new ATOM 0 HA TYR A 12 -0.419 -6.557 -4.973 1.00 13.14 H new ATOM 0 HB2 TYR A 12 -1.514 -6.042 -2.844 1.00 64.33 H new ATOM 0 HB3 TYR A 12 -2.133 -7.677 -2.725 1.00 64.33 H new ATOM 0 HD1 TYR A 12 1.039 -5.707 -2.796 1.00 63.32 H new ATOM 0 HD2 TYR A 12 -0.789 -9.418 -1.777 1.00 4.24 H new ATOM 0 HE1 TYR A 12 3.101 -6.412 -1.662 1.00 34.11 H new ATOM 0 HE2 TYR A 12 1.274 -10.127 -0.659 1.00 44.40 H new ATOM 0 HH TYR A 12 3.352 -9.618 -0.095 1.00 61.22 H new ATOM 205 N ASN A 13 0.328 -8.837 -5.479 1.00 34.44 N ATOM 206 CA ASN A 13 0.794 -10.154 -5.798 1.00 13.25 C ATOM 207 C ASN A 13 1.654 -10.630 -4.646 1.00 73.21 C ATOM 208 O ASN A 13 2.686 -10.019 -4.338 1.00 60.02 O ATOM 209 CB ASN A 13 1.588 -10.157 -7.103 1.00 43.41 C ATOM 210 CG ASN A 13 1.984 -11.557 -7.525 1.00 14.42 C ATOM 211 OD1 ASN A 13 3.042 -12.048 -7.158 1.00 12.33 O ATOM 212 ND2 ASN A 13 1.139 -12.207 -8.278 1.00 21.04 N ATOM 0 H ASN A 13 1.001 -8.093 -5.661 1.00 34.44 H new ATOM 0 HA ASN A 13 -0.054 -10.824 -5.941 1.00 13.25 H new ATOM 0 HB2 ASN A 13 0.992 -9.696 -7.891 1.00 43.41 H new ATOM 0 HB3 ASN A 13 2.484 -9.548 -6.983 1.00 43.41 H new ATOM 0 HD21 ASN A 13 1.352 -13.158 -8.580 1.00 21.04 H new ATOM 0 HD22 ASN A 13 0.266 -11.764 -8.564 1.00 21.04 H new ATOM 219 N SER A 14 1.240 -11.699 -4.016 1.00 1.23 N ATOM 220 CA SER A 14 1.872 -12.187 -2.807 1.00 42.12 C ATOM 221 C SER A 14 3.266 -12.768 -3.074 1.00 34.33 C ATOM 222 O SER A 14 4.111 -12.812 -2.175 1.00 52.22 O ATOM 223 CB SER A 14 0.957 -13.220 -2.128 1.00 53.32 C ATOM 224 OG SER A 14 1.448 -13.612 -0.849 1.00 31.33 O ATOM 0 H SER A 14 0.449 -12.263 -4.326 1.00 1.23 H new ATOM 0 HA SER A 14 2.017 -11.341 -2.135 1.00 42.12 H new ATOM 0 HB2 SER A 14 -0.043 -12.801 -2.019 1.00 53.32 H new ATOM 0 HB3 SER A 14 0.867 -14.099 -2.766 1.00 53.32 H new ATOM 0 HG SER A 14 0.838 -14.267 -0.451 1.00 31.33 H new ATOM 230 N THR A 15 3.507 -13.196 -4.287 1.00 30.10 N ATOM 231 CA THR A 15 4.780 -13.782 -4.622 1.00 75.51 C ATOM 232 C THR A 15 5.804 -12.700 -5.026 1.00 52.03 C ATOM 233 O THR A 15 6.946 -12.695 -4.555 1.00 75.22 O ATOM 234 CB THR A 15 4.616 -14.805 -5.756 1.00 22.11 C ATOM 235 OG1 THR A 15 3.574 -15.730 -5.394 1.00 25.12 O ATOM 236 CG2 THR A 15 5.908 -15.576 -5.963 1.00 34.44 C ATOM 0 H THR A 15 2.840 -13.150 -5.058 1.00 30.10 H new ATOM 0 HA THR A 15 5.157 -14.292 -3.736 1.00 75.51 H new ATOM 0 HB THR A 15 4.363 -14.282 -6.678 1.00 22.11 H new ATOM 0 HG1 THR A 15 3.457 -16.388 -6.111 1.00 25.12 H new ATOM 0 HG21 THR A 15 5.776 -16.297 -6.770 1.00 34.44 H new ATOM 0 HG22 THR A 15 6.708 -14.883 -6.223 1.00 34.44 H new ATOM 0 HG23 THR A 15 6.169 -16.102 -5.045 1.00 34.44 H new ATOM 244 N LYS A 16 5.388 -11.775 -5.876 1.00 24.13 N ATOM 245 CA LYS A 16 6.286 -10.735 -6.337 1.00 60.20 C ATOM 246 C LYS A 16 6.349 -9.565 -5.364 1.00 11.54 C ATOM 247 O LYS A 16 7.191 -8.690 -5.515 1.00 21.11 O ATOM 248 CB LYS A 16 5.906 -10.252 -7.740 1.00 41.03 C ATOM 249 CG LYS A 16 5.996 -11.328 -8.815 1.00 45.24 C ATOM 250 CD LYS A 16 5.642 -10.775 -10.186 1.00 41.45 C ATOM 251 CE LYS A 16 5.790 -11.832 -11.280 1.00 73.53 C ATOM 252 NZ LYS A 16 4.870 -12.980 -11.099 1.00 65.05 N ATOM 0 H LYS A 16 4.443 -11.725 -6.256 1.00 24.13 H new ATOM 0 HA LYS A 16 7.282 -11.176 -6.386 1.00 60.20 H new ATOM 0 HB2 LYS A 16 4.888 -9.863 -7.715 1.00 41.03 H new ATOM 0 HB3 LYS A 16 6.558 -9.423 -8.016 1.00 41.03 H new ATOM 0 HG2 LYS A 16 7.005 -11.739 -8.837 1.00 45.24 H new ATOM 0 HG3 LYS A 16 5.323 -12.149 -8.567 1.00 45.24 H new ATOM 0 HD2 LYS A 16 4.617 -10.405 -10.175 1.00 41.45 H new ATOM 0 HD3 LYS A 16 6.286 -9.925 -10.412 1.00 41.45 H new ATOM 0 HE2 LYS A 16 5.603 -11.372 -12.250 1.00 73.53 H new ATOM 0 HE3 LYS A 16 6.818 -12.195 -11.292 1.00 73.53 H new ATOM 0 HZ1 LYS A 16 4.928 -13.606 -11.928 1.00 65.05 H new ATOM 0 HZ2 LYS A 16 5.140 -13.510 -10.246 1.00 65.05 H new ATOM 0 HZ3 LYS A 16 3.896 -12.631 -10.996 1.00 65.05 H new ATOM 266 N ASN A 17 5.466 -9.568 -4.352 1.00 54.45 N ATOM 267 CA ASN A 17 5.465 -8.545 -3.283 1.00 53.20 C ATOM 268 C ASN A 17 5.240 -7.131 -3.829 1.00 62.25 C ATOM 269 O ASN A 17 5.726 -6.138 -3.245 1.00 11.34 O ATOM 270 CB ASN A 17 6.779 -8.614 -2.490 1.00 22.11 C ATOM 271 CG ASN A 17 6.936 -9.907 -1.701 1.00 51.31 C ATOM 272 OD1 ASN A 17 8.042 -10.403 -1.539 1.00 21.30 O ATOM 273 ND2 ASN A 17 5.848 -10.432 -1.169 1.00 70.04 N ATOM 0 H ASN A 17 4.736 -10.273 -4.248 1.00 54.45 H new ATOM 0 HA ASN A 17 4.629 -8.765 -2.619 1.00 53.20 H new ATOM 0 HB2 ASN A 17 7.617 -8.512 -3.179 1.00 22.11 H new ATOM 0 HB3 ASN A 17 6.826 -7.769 -1.803 1.00 22.11 H new ATOM 0 HD21 ASN A 17 5.914 -11.278 -0.602 1.00 70.04 H new ATOM 0 HD22 ASN A 17 4.941 -9.992 -1.324 1.00 70.04 H new ATOM 280 N PHE A 18 4.482 -7.034 -4.913 1.00 3.21 N ATOM 281 CA PHE A 18 4.147 -5.749 -5.518 1.00 35.42 C ATOM 282 C PHE A 18 2.654 -5.611 -5.631 1.00 73.32 C ATOM 283 O PHE A 18 1.938 -6.615 -5.715 1.00 3.31 O ATOM 284 CB PHE A 18 4.744 -5.589 -6.928 1.00 64.45 C ATOM 285 CG PHE A 18 6.234 -5.619 -7.006 1.00 64.52 C ATOM 286 CD1 PHE A 18 6.989 -4.668 -6.352 1.00 52.10 C ATOM 287 CD2 PHE A 18 6.881 -6.595 -7.736 1.00 32.10 C ATOM 288 CE1 PHE A 18 8.359 -4.691 -6.424 1.00 32.04 C ATOM 289 CE2 PHE A 18 8.257 -6.623 -7.815 1.00 45.53 C ATOM 290 CZ PHE A 18 8.997 -5.669 -7.158 1.00 23.30 C ATOM 0 H PHE A 18 4.083 -7.839 -5.397 1.00 3.21 H new ATOM 0 HA PHE A 18 4.569 -4.980 -4.871 1.00 35.42 H new ATOM 0 HB2 PHE A 18 4.349 -6.383 -7.562 1.00 64.45 H new ATOM 0 HB3 PHE A 18 4.395 -4.644 -7.345 1.00 64.45 H new ATOM 0 HD1 PHE A 18 6.497 -3.897 -5.777 1.00 52.10 H new ATOM 0 HD2 PHE A 18 6.302 -7.347 -8.252 1.00 32.10 H new ATOM 0 HE1 PHE A 18 8.939 -3.942 -5.905 1.00 32.04 H new ATOM 0 HE2 PHE A 18 8.752 -7.391 -8.391 1.00 45.53 H new ATOM 0 HZ PHE A 18 10.075 -5.685 -7.216 1.00 23.30 H new ATOM 300 N GLY A 19 2.190 -4.396 -5.625 1.00 4.21 N ATOM 301 CA GLY A 19 0.805 -4.134 -5.814 1.00 0.44 C ATOM 302 C GLY A 19 0.539 -2.664 -5.797 1.00 24.24 C ATOM 303 O GLY A 19 1.470 -1.874 -5.804 1.00 62.05 O ATOM 0 H GLY A 19 2.765 -3.564 -5.489 1.00 4.21 H new ATOM 0 HA2 GLY A 19 0.476 -4.557 -6.763 1.00 0.44 H new ATOM 0 HA3 GLY A 19 0.227 -4.622 -5.030 1.00 0.44 H new ATOM 307 N PHE A 20 -0.707 -2.296 -5.750 1.00 1.21 N ATOM 308 CA PHE A 20 -1.127 -0.908 -5.688 1.00 40.12 C ATOM 309 C PHE A 20 -2.285 -0.749 -4.749 1.00 62.24 C ATOM 310 O PHE A 20 -2.921 -1.738 -4.359 1.00 45.14 O ATOM 311 CB PHE A 20 -1.502 -0.331 -7.057 1.00 13.33 C ATOM 312 CG PHE A 20 -0.346 0.058 -7.944 1.00 14.24 C ATOM 313 CD1 PHE A 20 0.263 -0.857 -8.777 1.00 22.32 C ATOM 314 CD2 PHE A 20 0.119 1.363 -7.939 1.00 14.44 C ATOM 315 CE1 PHE A 20 1.318 -0.482 -9.589 1.00 72.13 C ATOM 316 CE2 PHE A 20 1.168 1.744 -8.745 1.00 72.43 C ATOM 317 CZ PHE A 20 1.770 0.822 -9.571 1.00 42.45 C ATOM 0 H PHE A 20 -1.483 -2.958 -5.753 1.00 1.21 H new ATOM 0 HA PHE A 20 -0.267 -0.348 -5.322 1.00 40.12 H new ATOM 0 HB2 PHE A 20 -2.110 -1.065 -7.586 1.00 13.33 H new ATOM 0 HB3 PHE A 20 -2.128 0.548 -6.901 1.00 13.33 H new ATOM 0 HD1 PHE A 20 -0.088 -1.878 -8.795 1.00 22.32 H new ATOM 0 HD2 PHE A 20 -0.348 2.092 -7.293 1.00 14.44 H new ATOM 0 HE1 PHE A 20 1.787 -1.208 -10.236 1.00 72.13 H new ATOM 0 HE2 PHE A 20 1.518 2.765 -8.729 1.00 72.43 H new ATOM 0 HZ PHE A 20 2.594 1.118 -10.203 1.00 42.45 H new ATOM 327 N ILE A 21 -2.576 0.484 -4.401 1.00 60.31 N ATOM 328 CA ILE A 21 -3.647 0.818 -3.477 1.00 53.02 C ATOM 329 C ILE A 21 -4.287 2.141 -3.910 1.00 2.20 C ATOM 330 O ILE A 21 -3.572 3.090 -4.238 1.00 42.14 O ATOM 331 CB ILE A 21 -3.103 1.000 -2.016 1.00 74.45 C ATOM 332 CG1 ILE A 21 -2.325 -0.242 -1.551 1.00 32.21 C ATOM 333 CG2 ILE A 21 -4.250 1.287 -1.060 1.00 52.01 C ATOM 334 CD1 ILE A 21 -1.703 -0.111 -0.175 1.00 11.21 C ATOM 0 H ILE A 21 -2.071 1.297 -4.754 1.00 60.31 H new ATOM 0 HA ILE A 21 -4.371 0.003 -3.491 1.00 53.02 H new ATOM 0 HB ILE A 21 -2.417 1.847 -2.016 1.00 74.45 H new ATOM 0 HG12 ILE A 21 -2.998 -1.099 -1.552 1.00 32.21 H new ATOM 0 HG13 ILE A 21 -1.537 -0.454 -2.274 1.00 32.21 H new ATOM 0 HG21 ILE A 21 -3.859 1.411 -0.050 1.00 52.01 H new ATOM 0 HG22 ILE A 21 -4.760 2.200 -1.367 1.00 52.01 H new ATOM 0 HG23 ILE A 21 -4.954 0.455 -1.077 1.00 52.01 H new ATOM 0 HD11 ILE A 21 -1.174 -1.031 0.074 1.00 11.21 H new ATOM 0 HD12 ILE A 21 -1.002 0.724 -0.171 1.00 11.21 H new ATOM 0 HD13 ILE A 21 -2.485 0.069 0.562 1.00 11.21 H new ATOM 346 N GLU A 22 -5.613 2.196 -3.943 1.00 0.10 N ATOM 347 CA GLU A 22 -6.321 3.428 -4.241 1.00 12.44 C ATOM 348 C GLU A 22 -7.565 3.455 -3.385 1.00 34.33 C ATOM 349 O GLU A 22 -8.169 2.411 -3.151 1.00 32.12 O ATOM 350 CB GLU A 22 -6.725 3.534 -5.728 1.00 71.14 C ATOM 351 CG GLU A 22 -7.798 2.545 -6.158 1.00 32.14 C ATOM 352 CD GLU A 22 -8.253 2.733 -7.585 1.00 72.41 C ATOM 353 OE1 GLU A 22 -9.054 3.655 -7.846 1.00 63.44 O ATOM 354 OE2 GLU A 22 -7.832 1.968 -8.463 1.00 35.10 O ATOM 0 H GLU A 22 -6.219 1.395 -3.766 1.00 0.10 H new ATOM 0 HA GLU A 22 -5.661 4.270 -4.030 1.00 12.44 H new ATOM 0 HB2 GLU A 22 -7.080 4.546 -5.924 1.00 71.14 H new ATOM 0 HB3 GLU A 22 -5.839 3.382 -6.345 1.00 71.14 H new ATOM 0 HG2 GLU A 22 -7.416 1.531 -6.037 1.00 32.14 H new ATOM 0 HG3 GLU A 22 -8.658 2.643 -5.495 1.00 32.14 H new ATOM 361 N GLN A 23 -7.959 4.597 -2.893 1.00 52.11 N ATOM 362 CA GLN A 23 -9.183 4.621 -2.134 1.00 63.41 C ATOM 363 C GLN A 23 -10.332 4.722 -3.063 1.00 33.11 C ATOM 364 O GLN A 23 -10.186 5.214 -4.190 1.00 31.54 O ATOM 365 CB GLN A 23 -9.251 5.719 -1.057 1.00 54.11 C ATOM 366 CG GLN A 23 -9.240 7.125 -1.568 1.00 23.31 C ATOM 367 CD GLN A 23 -9.319 8.137 -0.457 1.00 44.23 C ATOM 368 OE1 GLN A 23 -10.405 8.547 -0.056 1.00 40.04 O ATOM 369 NE2 GLN A 23 -8.188 8.530 0.059 1.00 60.45 N ATOM 0 H GLN A 23 -7.476 5.490 -2.995 1.00 52.11 H new ATOM 0 HA GLN A 23 -9.219 3.685 -1.577 1.00 63.41 H new ATOM 0 HB2 GLN A 23 -10.157 5.572 -0.470 1.00 54.11 H new ATOM 0 HB3 GLN A 23 -8.407 5.591 -0.379 1.00 54.11 H new ATOM 0 HG2 GLN A 23 -8.331 7.292 -2.145 1.00 23.31 H new ATOM 0 HG3 GLN A 23 -10.080 7.269 -2.248 1.00 23.31 H new ATOM 0 HE21 GLN A 23 -7.308 8.164 -0.304 1.00 60.45 H new ATOM 0 HE22 GLN A 23 -8.184 9.203 0.825 1.00 60.45 H new ATOM 378 N ASP A 24 -11.455 4.279 -2.593 1.00 41.02 N ATOM 379 CA ASP A 24 -12.701 4.247 -3.343 1.00 72.44 C ATOM 380 C ASP A 24 -13.097 5.601 -3.926 1.00 23.15 C ATOM 381 O ASP A 24 -13.811 5.669 -4.924 1.00 1.33 O ATOM 382 CB ASP A 24 -13.822 3.704 -2.479 1.00 63.20 C ATOM 383 CG ASP A 24 -13.662 2.245 -2.138 1.00 20.31 C ATOM 384 OD1 ASP A 24 -13.966 1.379 -2.998 1.00 41.53 O ATOM 385 OD2 ASP A 24 -13.220 1.935 -1.021 1.00 12.51 O ATOM 0 H ASP A 24 -11.548 3.914 -1.645 1.00 41.02 H new ATOM 0 HA ASP A 24 -12.530 3.583 -4.191 1.00 72.44 H new ATOM 0 HB2 ASP A 24 -13.872 4.282 -1.556 1.00 63.20 H new ATOM 0 HB3 ASP A 24 -14.771 3.847 -2.996 1.00 63.20 H new ATOM 390 N ASN A 25 -12.632 6.675 -3.319 1.00 13.41 N ATOM 391 CA ASN A 25 -12.925 8.011 -3.780 1.00 31.53 C ATOM 392 C ASN A 25 -12.055 8.396 -4.996 1.00 14.04 C ATOM 393 O ASN A 25 -12.181 9.493 -5.530 1.00 65.22 O ATOM 394 CB ASN A 25 -12.673 9.000 -2.640 1.00 20.44 C ATOM 395 CG ASN A 25 -13.503 8.726 -1.382 1.00 41.41 C ATOM 396 OD1 ASN A 25 -13.881 7.589 -1.079 1.00 34.40 O ATOM 397 ND2 ASN A 25 -13.747 9.733 -0.639 1.00 34.30 N ATOM 0 H ASN A 25 -12.039 6.642 -2.490 1.00 13.41 H new ATOM 0 HA ASN A 25 -13.969 8.045 -4.090 1.00 31.53 H new ATOM 0 HB2 ASN A 25 -11.615 8.974 -2.378 1.00 20.44 H new ATOM 0 HB3 ASN A 25 -12.889 10.008 -2.993 1.00 20.44 H new ATOM 0 HD21 ASN A 25 -14.266 9.611 0.230 1.00 34.30 H new ATOM 0 HD22 ASN A 25 -13.423 10.660 -0.914 1.00 34.30 H new ATOM 404 N GLY A 26 -11.181 7.487 -5.435 1.00 51.23 N ATOM 405 CA GLY A 26 -10.285 7.799 -6.541 1.00 13.23 C ATOM 406 C GLY A 26 -9.021 8.417 -6.016 1.00 74.51 C ATOM 407 O GLY A 26 -8.611 9.482 -6.457 1.00 22.55 O ATOM 0 H GLY A 26 -11.078 6.549 -5.048 1.00 51.23 H new ATOM 0 HA2 GLY A 26 -10.052 6.892 -7.099 1.00 13.23 H new ATOM 0 HA3 GLY A 26 -10.774 8.483 -7.235 1.00 13.23 H new ATOM 411 N GLY A 27 -8.421 7.737 -5.048 1.00 33.52 N ATOM 412 CA GLY A 27 -7.274 8.271 -4.323 1.00 51.24 C ATOM 413 C GLY A 27 -5.992 8.461 -5.119 1.00 21.44 C ATOM 414 O GLY A 27 -5.859 9.402 -5.907 1.00 34.35 O ATOM 0 H GLY A 27 -8.712 6.808 -4.745 1.00 33.52 H new ATOM 0 HA2 GLY A 27 -7.558 9.234 -3.899 1.00 51.24 H new ATOM 0 HA3 GLY A 27 -7.060 7.606 -3.487 1.00 51.24 H new ATOM 418 N LYS A 28 -5.045 7.580 -4.908 1.00 34.45 N ATOM 419 CA LYS A 28 -3.726 7.750 -5.469 1.00 15.13 C ATOM 420 C LYS A 28 -3.287 6.528 -6.226 1.00 53.33 C ATOM 421 O LYS A 28 -3.989 5.510 -6.266 1.00 75.11 O ATOM 422 CB LYS A 28 -2.721 7.992 -4.340 1.00 43.24 C ATOM 423 CG LYS A 28 -3.035 9.183 -3.468 1.00 62.42 C ATOM 424 CD LYS A 28 -1.992 9.352 -2.398 1.00 23.42 C ATOM 425 CE LYS A 28 -2.319 10.510 -1.466 1.00 22.31 C ATOM 426 NZ LYS A 28 -2.364 11.816 -2.163 1.00 24.41 N ATOM 0 H LYS A 28 -5.163 6.735 -4.350 1.00 34.45 H new ATOM 0 HA LYS A 28 -3.764 8.598 -6.152 1.00 15.13 H new ATOM 0 HB2 LYS A 28 -2.676 7.101 -3.714 1.00 43.24 H new ATOM 0 HB3 LYS A 28 -1.731 8.127 -4.775 1.00 43.24 H new ATOM 0 HG2 LYS A 28 -3.084 10.084 -4.079 1.00 62.42 H new ATOM 0 HG3 LYS A 28 -4.015 9.055 -3.009 1.00 62.42 H new ATOM 0 HD2 LYS A 28 -1.913 8.432 -1.820 1.00 23.42 H new ATOM 0 HD3 LYS A 28 -1.020 9.522 -2.862 1.00 23.42 H new ATOM 0 HE2 LYS A 28 -3.281 10.325 -0.989 1.00 22.31 H new ATOM 0 HE3 LYS A 28 -1.573 10.553 -0.672 1.00 22.31 H new ATOM 0 HZ1 LYS A 28 -2.455 12.580 -1.463 1.00 24.41 H new ATOM 0 HZ2 LYS A 28 -1.488 11.949 -2.708 1.00 24.41 H new ATOM 0 HZ3 LYS A 28 -3.180 11.838 -2.808 1.00 24.41 H new ATOM 440 N ASP A 29 -2.136 6.634 -6.821 1.00 31.50 N ATOM 441 CA ASP A 29 -1.487 5.529 -7.453 1.00 44.00 C ATOM 442 C ASP A 29 -0.220 5.277 -6.734 1.00 62.10 C ATOM 443 O ASP A 29 0.830 5.796 -7.089 1.00 14.10 O ATOM 444 CB ASP A 29 -1.206 5.751 -8.939 1.00 35.32 C ATOM 445 CG ASP A 29 -2.443 5.825 -9.767 1.00 13.22 C ATOM 446 OD1 ASP A 29 -2.952 4.767 -10.174 1.00 41.52 O ATOM 447 OD2 ASP A 29 -2.932 6.936 -10.031 1.00 42.03 O ATOM 0 H ASP A 29 -1.614 7.508 -6.881 1.00 31.50 H new ATOM 0 HA ASP A 29 -2.159 4.672 -7.403 1.00 44.00 H new ATOM 0 HB2 ASP A 29 -0.640 6.674 -9.061 1.00 35.32 H new ATOM 0 HB3 ASP A 29 -0.578 4.940 -9.308 1.00 35.32 H new ATOM 452 N VAL A 30 -0.321 4.566 -5.684 1.00 14.42 N ATOM 453 CA VAL A 30 0.814 4.266 -4.889 1.00 72.01 C ATOM 454 C VAL A 30 1.016 2.781 -4.839 1.00 74.25 C ATOM 455 O VAL A 30 0.066 2.019 -4.602 1.00 23.12 O ATOM 456 CB VAL A 30 0.716 4.912 -3.465 1.00 75.21 C ATOM 457 CG1 VAL A 30 -0.562 4.565 -2.758 1.00 71.33 C ATOM 458 CG2 VAL A 30 1.872 4.505 -2.607 1.00 33.02 C ATOM 0 H VAL A 30 -1.196 4.169 -5.342 1.00 14.42 H new ATOM 0 HA VAL A 30 1.696 4.710 -5.351 1.00 72.01 H new ATOM 0 HB VAL A 30 0.735 5.990 -3.625 1.00 75.21 H new ATOM 0 HG11 VAL A 30 -0.575 5.039 -1.777 1.00 71.33 H new ATOM 0 HG12 VAL A 30 -1.410 4.919 -3.344 1.00 71.33 H new ATOM 0 HG13 VAL A 30 -0.630 3.484 -2.639 1.00 71.33 H new ATOM 0 HG21 VAL A 30 1.777 4.968 -1.625 1.00 33.02 H new ATOM 0 HG22 VAL A 30 1.880 3.421 -2.497 1.00 33.02 H new ATOM 0 HG23 VAL A 30 2.803 4.829 -3.073 1.00 33.02 H new ATOM 468 N PHE A 31 2.224 2.357 -5.112 1.00 53.15 N ATOM 469 CA PHE A 31 2.518 0.965 -5.124 1.00 4.05 C ATOM 470 C PHE A 31 2.871 0.461 -3.755 1.00 22.54 C ATOM 471 O PHE A 31 3.554 1.135 -2.981 1.00 11.42 O ATOM 472 CB PHE A 31 3.562 0.571 -6.199 1.00 75.32 C ATOM 473 CG PHE A 31 4.867 1.313 -6.174 1.00 62.21 C ATOM 474 CD1 PHE A 31 5.904 0.899 -5.365 1.00 25.45 C ATOM 475 CD2 PHE A 31 5.058 2.422 -6.986 1.00 70.25 C ATOM 476 CE1 PHE A 31 7.103 1.576 -5.356 1.00 21.44 C ATOM 477 CE2 PHE A 31 6.258 3.101 -6.982 1.00 12.20 C ATOM 478 CZ PHE A 31 7.283 2.678 -6.164 1.00 72.24 C ATOM 0 H PHE A 31 3.014 2.965 -5.328 1.00 53.15 H new ATOM 0 HA PHE A 31 1.600 0.457 -5.420 1.00 4.05 H new ATOM 0 HB2 PHE A 31 3.773 -0.493 -6.094 1.00 75.32 H new ATOM 0 HB3 PHE A 31 3.109 0.711 -7.181 1.00 75.32 H new ATOM 0 HD1 PHE A 31 5.774 0.034 -4.731 1.00 25.45 H new ATOM 0 HD2 PHE A 31 4.257 2.757 -7.629 1.00 70.25 H new ATOM 0 HE1 PHE A 31 7.905 1.242 -4.714 1.00 21.44 H new ATOM 0 HE2 PHE A 31 6.394 3.963 -7.619 1.00 12.20 H new ATOM 0 HZ PHE A 31 8.224 3.208 -6.156 1.00 72.24 H new ATOM 488 N VAL A 32 2.380 -0.686 -3.449 1.00 43.44 N ATOM 489 CA VAL A 32 2.622 -1.292 -2.192 1.00 22.12 C ATOM 490 C VAL A 32 3.660 -2.398 -2.343 1.00 43.01 C ATOM 491 O VAL A 32 3.497 -3.340 -3.122 1.00 3.22 O ATOM 492 CB VAL A 32 1.303 -1.818 -1.525 1.00 11.14 C ATOM 493 CG1 VAL A 32 0.576 -2.836 -2.391 1.00 13.30 C ATOM 494 CG2 VAL A 32 1.579 -2.392 -0.150 1.00 72.43 C ATOM 0 H VAL A 32 1.791 -1.237 -4.074 1.00 43.44 H new ATOM 0 HA VAL A 32 3.019 -0.532 -1.518 1.00 22.12 H new ATOM 0 HB VAL A 32 0.644 -0.956 -1.420 1.00 11.14 H new ATOM 0 HG11 VAL A 32 -0.329 -3.167 -1.882 1.00 13.30 H new ATOM 0 HG12 VAL A 32 0.310 -2.379 -3.344 1.00 13.30 H new ATOM 0 HG13 VAL A 32 1.226 -3.693 -2.569 1.00 13.30 H new ATOM 0 HG21 VAL A 32 0.647 -2.749 0.289 1.00 72.43 H new ATOM 0 HG22 VAL A 32 2.281 -3.222 -0.236 1.00 72.43 H new ATOM 0 HG23 VAL A 32 2.008 -1.619 0.488 1.00 72.43 H new ATOM 504 N HIS A 33 4.742 -2.246 -1.650 1.00 44.14 N ATOM 505 CA HIS A 33 5.786 -3.228 -1.651 1.00 45.41 C ATOM 506 C HIS A 33 5.807 -3.889 -0.287 1.00 33.50 C ATOM 507 O HIS A 33 5.264 -3.338 0.665 1.00 43.11 O ATOM 508 CB HIS A 33 7.143 -2.571 -1.997 1.00 2.44 C ATOM 509 CG HIS A 33 8.276 -3.543 -2.025 1.00 13.41 C ATOM 510 ND1 HIS A 33 8.179 -4.776 -2.625 1.00 43.21 N ATOM 511 CD2 HIS A 33 9.480 -3.519 -1.430 1.00 34.41 C ATOM 512 CE1 HIS A 33 9.265 -5.455 -2.378 1.00 34.22 C ATOM 513 NE2 HIS A 33 10.070 -4.718 -1.666 1.00 62.34 N ATOM 0 H HIS A 33 4.931 -1.434 -1.063 1.00 44.14 H new ATOM 0 HA HIS A 33 5.603 -3.986 -2.412 1.00 45.41 H new ATOM 0 HB2 HIS A 33 7.066 -2.084 -2.969 1.00 2.44 H new ATOM 0 HB3 HIS A 33 7.359 -1.792 -1.266 1.00 2.44 H new ATOM 0 HD1 HIS A 33 7.386 -5.107 -3.175 1.00 43.21 H new ATOM 0 HD2 HIS A 33 9.900 -2.698 -0.868 1.00 34.41 H new ATOM 0 HE1 HIS A 33 9.464 -6.463 -2.709 1.00 34.22 H new ATOM 522 N LYS A 34 6.427 -5.057 -0.181 1.00 51.14 N ATOM 523 CA LYS A 34 6.450 -5.791 1.066 1.00 53.42 C ATOM 524 C LYS A 34 7.120 -5.020 2.192 1.00 63.13 C ATOM 525 O LYS A 34 6.843 -5.272 3.334 1.00 52.52 O ATOM 526 CB LYS A 34 7.019 -7.200 0.907 1.00 72.53 C ATOM 527 CG LYS A 34 7.066 -7.976 2.209 1.00 14.42 C ATOM 528 CD LYS A 34 7.424 -9.398 1.995 1.00 55.32 C ATOM 529 CE LYS A 34 7.559 -10.126 3.323 1.00 30.30 C ATOM 530 NZ LYS A 34 7.874 -11.550 3.141 1.00 32.34 N ATOM 0 H LYS A 34 6.920 -5.513 -0.949 1.00 51.14 H new ATOM 0 HA LYS A 34 5.407 -5.911 1.360 1.00 53.42 H new ATOM 0 HB2 LYS A 34 6.414 -7.750 0.186 1.00 72.53 H new ATOM 0 HB3 LYS A 34 8.026 -7.134 0.494 1.00 72.53 H new ATOM 0 HG2 LYS A 34 7.792 -7.516 2.879 1.00 14.42 H new ATOM 0 HG3 LYS A 34 6.096 -7.917 2.702 1.00 14.42 H new ATOM 0 HD2 LYS A 34 6.661 -9.882 1.386 1.00 55.32 H new ATOM 0 HD3 LYS A 34 8.361 -9.463 1.443 1.00 55.32 H new ATOM 0 HE2 LYS A 34 8.342 -9.655 3.917 1.00 30.30 H new ATOM 0 HE3 LYS A 34 6.630 -10.029 3.886 1.00 30.30 H new ATOM 0 HZ1 LYS A 34 7.957 -12.009 4.071 1.00 32.34 H new ATOM 0 HZ2 LYS A 34 7.115 -12.007 2.596 1.00 32.34 H new ATOM 0 HZ3 LYS A 34 8.773 -11.644 2.627 1.00 32.34 H new ATOM 544 N SER A 35 7.969 -4.054 1.858 1.00 22.13 N ATOM 545 CA SER A 35 8.579 -3.174 2.877 1.00 4.33 C ATOM 546 C SER A 35 7.503 -2.512 3.768 1.00 32.02 C ATOM 547 O SER A 35 7.761 -2.144 4.901 1.00 33.04 O ATOM 548 CB SER A 35 9.439 -2.114 2.206 1.00 23.51 C ATOM 549 OG SER A 35 10.464 -2.720 1.430 1.00 34.23 O ATOM 0 H SER A 35 8.256 -3.853 0.900 1.00 22.13 H new ATOM 0 HA SER A 35 9.209 -3.789 3.520 1.00 4.33 H new ATOM 0 HB2 SER A 35 8.818 -1.483 1.570 1.00 23.51 H new ATOM 0 HB3 SER A 35 9.882 -1.466 2.962 1.00 23.51 H new ATOM 0 HG SER A 35 11.007 -2.024 1.004 1.00 34.23 H new ATOM 555 N ALA A 36 6.295 -2.389 3.237 1.00 63.10 N ATOM 556 CA ALA A 36 5.184 -1.866 3.988 1.00 31.31 C ATOM 557 C ALA A 36 4.673 -2.897 4.970 1.00 45.54 C ATOM 558 O ALA A 36 4.291 -2.566 6.101 1.00 20.41 O ATOM 559 CB ALA A 36 4.094 -1.485 3.072 1.00 55.52 C ATOM 0 H ALA A 36 6.067 -2.650 2.278 1.00 63.10 H new ATOM 0 HA ALA A 36 5.525 -0.989 4.539 1.00 31.31 H new ATOM 0 HB1 ALA A 36 3.257 -1.090 3.647 1.00 55.52 H new ATOM 0 HB2 ALA A 36 4.450 -0.722 2.380 1.00 55.52 H new ATOM 0 HB3 ALA A 36 3.768 -2.361 2.511 1.00 55.52 H new ATOM 565 N VAL A 37 4.651 -4.148 4.528 1.00 51.22 N ATOM 566 CA VAL A 37 4.299 -5.257 5.384 1.00 60.02 C ATOM 567 C VAL A 37 5.372 -5.402 6.424 1.00 52.12 C ATOM 568 O VAL A 37 5.080 -5.524 7.574 1.00 52.53 O ATOM 569 CB VAL A 37 4.146 -6.614 4.619 1.00 42.42 C ATOM 570 CG1 VAL A 37 3.958 -7.764 5.621 1.00 35.13 C ATOM 571 CG2 VAL A 37 2.944 -6.551 3.669 1.00 72.41 C ATOM 0 H VAL A 37 4.877 -4.414 3.570 1.00 51.22 H new ATOM 0 HA VAL A 37 3.326 -5.036 5.823 1.00 60.02 H new ATOM 0 HB VAL A 37 5.050 -6.793 4.036 1.00 42.42 H new ATOM 0 HG11 VAL A 37 3.852 -8.704 5.080 1.00 35.13 H new ATOM 0 HG12 VAL A 37 4.826 -7.819 6.279 1.00 35.13 H new ATOM 0 HG13 VAL A 37 3.062 -7.585 6.216 1.00 35.13 H new ATOM 0 HG21 VAL A 37 2.847 -7.500 3.142 1.00 72.41 H new ATOM 0 HG22 VAL A 37 2.037 -6.360 4.242 1.00 72.41 H new ATOM 0 HG23 VAL A 37 3.093 -5.748 2.947 1.00 72.41 H new ATOM 581 N ASP A 38 6.621 -5.325 5.995 1.00 55.14 N ATOM 582 CA ASP A 38 7.769 -5.448 6.890 1.00 4.54 C ATOM 583 C ASP A 38 7.756 -4.352 7.924 1.00 10.22 C ATOM 584 O ASP A 38 8.291 -4.521 9.023 1.00 11.15 O ATOM 585 CB ASP A 38 9.118 -5.395 6.137 1.00 12.22 C ATOM 586 CG ASP A 38 9.322 -6.493 5.118 1.00 41.12 C ATOM 587 OD1 ASP A 38 9.187 -7.683 5.470 1.00 21.34 O ATOM 588 OD2 ASP A 38 9.636 -6.177 3.943 1.00 64.15 O ATOM 0 H ASP A 38 6.872 -5.176 5.018 1.00 55.14 H new ATOM 0 HA ASP A 38 7.679 -6.424 7.367 1.00 4.54 H new ATOM 0 HB2 ASP A 38 9.198 -4.432 5.633 1.00 12.22 H new ATOM 0 HB3 ASP A 38 9.927 -5.441 6.866 1.00 12.22 H new ATOM 593 N ALA A 39 7.131 -3.227 7.580 1.00 24.01 N ATOM 594 CA ALA A 39 7.069 -2.089 8.471 1.00 71.31 C ATOM 595 C ALA A 39 6.140 -2.321 9.659 1.00 42.23 C ATOM 596 O ALA A 39 6.370 -1.784 10.732 1.00 31.14 O ATOM 597 CB ALA A 39 6.669 -0.833 7.715 1.00 42.43 C ATOM 0 H ALA A 39 6.661 -3.087 6.685 1.00 24.01 H new ATOM 0 HA ALA A 39 8.072 -1.953 8.876 1.00 71.31 H new ATOM 0 HB1 ALA A 39 6.629 0.010 8.405 1.00 42.43 H new ATOM 0 HB2 ALA A 39 7.402 -0.629 6.935 1.00 42.43 H new ATOM 0 HB3 ALA A 39 5.688 -0.978 7.262 1.00 42.43 H new ATOM 603 N ALA A 40 5.097 -3.116 9.478 1.00 63.33 N ATOM 604 CA ALA A 40 4.132 -3.323 10.569 1.00 41.34 C ATOM 605 C ALA A 40 3.819 -4.800 10.824 1.00 32.43 C ATOM 606 O ALA A 40 3.034 -5.132 11.714 1.00 74.12 O ATOM 607 CB ALA A 40 2.856 -2.544 10.291 1.00 63.13 C ATOM 0 H ALA A 40 4.892 -3.620 8.615 1.00 63.33 H new ATOM 0 HA ALA A 40 4.598 -2.948 11.480 1.00 41.34 H new ATOM 0 HB1 ALA A 40 2.148 -2.704 11.104 1.00 63.13 H new ATOM 0 HB2 ALA A 40 3.088 -1.482 10.215 1.00 63.13 H new ATOM 0 HB3 ALA A 40 2.417 -2.888 9.355 1.00 63.13 H new ATOM 613 N GLY A 41 4.425 -5.660 10.051 1.00 25.14 N ATOM 614 CA GLY A 41 4.199 -7.098 10.124 1.00 22.31 C ATOM 615 C GLY A 41 2.773 -7.473 9.815 1.00 10.22 C ATOM 616 O GLY A 41 2.105 -8.146 10.606 1.00 31.53 O ATOM 0 H GLY A 41 5.102 -5.388 9.338 1.00 25.14 H new ATOM 0 HA2 GLY A 41 4.864 -7.603 9.424 1.00 22.31 H new ATOM 0 HA3 GLY A 41 4.457 -7.453 11.122 1.00 22.31 H new ATOM 620 N LEU A 42 2.308 -7.021 8.676 1.00 53.14 N ATOM 621 CA LEU A 42 0.977 -7.314 8.207 1.00 23.11 C ATOM 622 C LEU A 42 0.971 -8.813 7.826 1.00 42.43 C ATOM 623 O LEU A 42 1.969 -9.318 7.324 1.00 63.24 O ATOM 624 CB LEU A 42 0.720 -6.409 6.980 1.00 41.22 C ATOM 625 CG LEU A 42 -0.727 -6.134 6.553 1.00 30.53 C ATOM 626 CD1 LEU A 42 -1.474 -7.384 6.158 1.00 60.10 C ATOM 627 CD2 LEU A 42 -1.465 -5.368 7.629 1.00 3.00 C ATOM 0 H LEU A 42 2.849 -6.433 8.042 1.00 53.14 H new ATOM 0 HA LEU A 42 0.198 -7.127 8.946 1.00 23.11 H new ATOM 0 HB2 LEU A 42 1.195 -5.447 7.174 1.00 41.22 H new ATOM 0 HB3 LEU A 42 1.236 -6.853 6.129 1.00 41.22 H new ATOM 0 HG LEU A 42 -0.679 -5.516 5.656 1.00 30.53 H new ATOM 0 HD11 LEU A 42 -2.491 -7.123 5.866 1.00 60.10 H new ATOM 0 HD12 LEU A 42 -0.967 -7.861 5.319 1.00 60.10 H new ATOM 0 HD13 LEU A 42 -1.504 -8.072 7.003 1.00 60.10 H new ATOM 0 HD21 LEU A 42 -2.490 -5.183 7.306 1.00 3.00 H new ATOM 0 HD22 LEU A 42 -1.474 -5.951 8.550 1.00 3.00 H new ATOM 0 HD23 LEU A 42 -0.964 -4.417 7.807 1.00 3.00 H new ATOM 639 N HIS A 43 -0.110 -9.523 8.078 1.00 43.33 N ATOM 640 CA HIS A 43 -0.112 -10.957 7.804 1.00 63.41 C ATOM 641 C HIS A 43 -0.127 -11.252 6.288 1.00 75.43 C ATOM 642 O HIS A 43 0.812 -11.839 5.765 1.00 64.13 O ATOM 643 CB HIS A 43 -1.271 -11.659 8.537 1.00 23.11 C ATOM 644 CG HIS A 43 -1.302 -13.162 8.394 1.00 55.51 C ATOM 645 ND1 HIS A 43 -0.732 -14.015 9.308 1.00 11.34 N ATOM 646 CD2 HIS A 43 -1.858 -13.956 7.447 1.00 11.21 C ATOM 647 CE1 HIS A 43 -0.935 -15.260 8.931 1.00 22.13 C ATOM 648 NE2 HIS A 43 -1.616 -15.250 7.808 1.00 24.25 N ATOM 0 H HIS A 43 -0.979 -9.150 8.461 1.00 43.33 H new ATOM 0 HA HIS A 43 0.819 -11.368 8.193 1.00 63.41 H new ATOM 0 HB2 HIS A 43 -1.213 -11.411 9.597 1.00 23.11 H new ATOM 0 HB3 HIS A 43 -2.213 -11.255 8.166 1.00 23.11 H new ATOM 0 HD2 HIS A 43 -2.394 -13.626 6.569 1.00 11.21 H new ATOM 0 HE1 HIS A 43 -0.598 -16.141 9.457 1.00 22.13 H new ATOM 0 HE2 HIS A 43 -1.916 -16.076 7.289 1.00 24.25 H new ATOM 657 N SER A 44 -1.160 -10.822 5.596 1.00 33.24 N ATOM 658 CA SER A 44 -1.324 -11.086 4.154 1.00 45.15 C ATOM 659 C SER A 44 -2.388 -10.145 3.592 1.00 63.00 C ATOM 660 O SER A 44 -3.226 -9.653 4.352 1.00 51.11 O ATOM 661 CB SER A 44 -1.745 -12.558 3.916 1.00 50.23 C ATOM 662 OG SER A 44 -0.771 -13.474 4.416 1.00 11.44 O ATOM 0 H SER A 44 -1.920 -10.277 6.004 1.00 33.24 H new ATOM 0 HA SER A 44 -0.374 -10.914 3.648 1.00 45.15 H new ATOM 0 HB2 SER A 44 -2.703 -12.745 4.401 1.00 50.23 H new ATOM 0 HB3 SER A 44 -1.889 -12.727 2.849 1.00 50.23 H new ATOM 0 HG SER A 44 0.053 -12.990 4.632 1.00 11.44 H new ATOM 668 N LEU A 45 -2.362 -9.890 2.283 1.00 2.34 N ATOM 669 CA LEU A 45 -3.329 -8.982 1.658 1.00 33.53 C ATOM 670 C LEU A 45 -3.728 -9.429 0.286 1.00 21.41 C ATOM 671 O LEU A 45 -2.981 -10.114 -0.414 1.00 13.40 O ATOM 672 CB LEU A 45 -2.786 -7.555 1.539 1.00 41.33 C ATOM 673 CG LEU A 45 -2.561 -6.788 2.827 1.00 35.44 C ATOM 674 CD1 LEU A 45 -1.848 -5.495 2.533 1.00 42.51 C ATOM 675 CD2 LEU A 45 -3.897 -6.494 3.495 1.00 11.24 C ATOM 0 H LEU A 45 -1.686 -10.296 1.636 1.00 2.34 H new ATOM 0 HA LEU A 45 -4.197 -8.998 2.317 1.00 33.53 H new ATOM 0 HB2 LEU A 45 -1.838 -7.598 1.002 1.00 41.33 H new ATOM 0 HB3 LEU A 45 -3.477 -6.981 0.921 1.00 41.33 H new ATOM 0 HG LEU A 45 -1.950 -7.392 3.498 1.00 35.44 H new ATOM 0 HD11 LEU A 45 -1.689 -4.948 3.462 1.00 42.51 H new ATOM 0 HD12 LEU A 45 -0.885 -5.708 2.068 1.00 42.51 H new ATOM 0 HD13 LEU A 45 -2.453 -4.892 1.856 1.00 42.51 H new ATOM 0 HD21 LEU A 45 -3.728 -5.943 4.420 1.00 11.24 H new ATOM 0 HD22 LEU A 45 -4.515 -5.897 2.825 1.00 11.24 H new ATOM 0 HD23 LEU A 45 -4.406 -7.432 3.719 1.00 11.24 H new ATOM 687 N GLU A 46 -4.898 -9.022 -0.084 1.00 15.31 N ATOM 688 CA GLU A 46 -5.434 -9.209 -1.387 1.00 52.21 C ATOM 689 C GLU A 46 -6.309 -8.015 -1.700 1.00 41.20 C ATOM 690 O GLU A 46 -6.559 -7.178 -0.815 1.00 33.52 O ATOM 691 CB GLU A 46 -6.216 -10.538 -1.545 1.00 54.44 C ATOM 692 CG GLU A 46 -7.401 -10.753 -0.598 1.00 61.33 C ATOM 693 CD GLU A 46 -6.999 -10.969 0.840 1.00 34.10 C ATOM 694 OE1 GLU A 46 -6.578 -12.093 1.186 1.00 54.23 O ATOM 695 OE2 GLU A 46 -7.110 -10.028 1.646 1.00 1.52 O ATOM 0 H GLU A 46 -5.532 -8.528 0.544 1.00 15.31 H new ATOM 0 HA GLU A 46 -4.610 -9.283 -2.097 1.00 52.21 H new ATOM 0 HB2 GLU A 46 -6.583 -10.597 -2.569 1.00 54.44 H new ATOM 0 HB3 GLU A 46 -5.517 -11.363 -1.409 1.00 54.44 H new ATOM 0 HG2 GLU A 46 -8.061 -9.888 -0.655 1.00 61.33 H new ATOM 0 HG3 GLU A 46 -7.975 -11.615 -0.939 1.00 61.33 H new ATOM 702 N GLU A 47 -6.769 -7.924 -2.907 1.00 60.14 N ATOM 703 CA GLU A 47 -7.560 -6.798 -3.331 1.00 14.42 C ATOM 704 C GLU A 47 -8.950 -6.798 -2.720 1.00 45.25 C ATOM 705 O GLU A 47 -9.482 -7.844 -2.305 1.00 22.52 O ATOM 706 CB GLU A 47 -7.624 -6.646 -4.865 1.00 63.55 C ATOM 707 CG GLU A 47 -8.053 -7.882 -5.650 1.00 21.35 C ATOM 708 CD GLU A 47 -6.988 -8.966 -5.713 1.00 51.12 C ATOM 709 OE1 GLU A 47 -6.914 -9.803 -4.794 1.00 14.33 O ATOM 710 OE2 GLU A 47 -6.212 -8.986 -6.679 1.00 70.14 O ATOM 0 H GLU A 47 -6.611 -8.625 -3.631 1.00 60.14 H new ATOM 0 HA GLU A 47 -7.037 -5.921 -2.949 1.00 14.42 H new ATOM 0 HB2 GLU A 47 -8.314 -5.835 -5.100 1.00 63.55 H new ATOM 0 HB3 GLU A 47 -6.640 -6.340 -5.220 1.00 63.55 H new ATOM 0 HG2 GLU A 47 -8.953 -8.296 -5.196 1.00 21.35 H new ATOM 0 HG3 GLU A 47 -8.316 -7.584 -6.665 1.00 21.35 H new ATOM 717 N GLY A 48 -9.527 -5.625 -2.651 1.00 5.21 N ATOM 718 CA GLY A 48 -10.846 -5.461 -2.066 1.00 40.52 C ATOM 719 C GLY A 48 -10.774 -5.011 -0.617 1.00 32.21 C ATOM 720 O GLY A 48 -11.741 -4.491 -0.068 1.00 43.50 O ATOM 0 H GLY A 48 -9.106 -4.761 -2.993 1.00 5.21 H new ATOM 0 HA2 GLY A 48 -11.411 -4.730 -2.645 1.00 40.52 H new ATOM 0 HA3 GLY A 48 -11.389 -6.404 -2.126 1.00 40.52 H new ATOM 724 N GLN A 49 -9.624 -5.200 -0.010 1.00 53.31 N ATOM 725 CA GLN A 49 -9.402 -4.840 1.379 1.00 64.40 C ATOM 726 C GLN A 49 -9.079 -3.386 1.528 1.00 62.13 C ATOM 727 O GLN A 49 -8.346 -2.836 0.742 1.00 4.44 O ATOM 728 CB GLN A 49 -8.260 -5.666 1.941 1.00 44.14 C ATOM 729 CG GLN A 49 -8.599 -7.115 2.165 1.00 2.24 C ATOM 730 CD GLN A 49 -9.371 -7.409 3.458 1.00 44.33 C ATOM 731 OE1 GLN A 49 -10.146 -6.482 3.954 1.00 60.14 O flip ATOM 732 NE2 GLN A 49 -9.248 -8.496 4.014 1.00 14.00 N flip ATOM 0 H GLN A 49 -8.809 -5.610 -0.466 1.00 53.31 H new ATOM 0 HA GLN A 49 -10.322 -5.042 1.928 1.00 64.40 H new ATOM 0 HB2 GLN A 49 -7.412 -5.604 1.259 1.00 44.14 H new ATOM 0 HB3 GLN A 49 -7.941 -5.229 2.887 1.00 44.14 H new ATOM 0 HG2 GLN A 49 -9.188 -7.469 1.319 1.00 2.24 H new ATOM 0 HG3 GLN A 49 -7.674 -7.692 2.173 1.00 2.24 H new ATOM 0 HE21 GLN A 49 -8.638 -9.208 3.612 1.00 14.00 H new ATOM 0 HE22 GLN A 49 -9.755 -8.687 4.878 1.00 14.00 H new ATOM 741 N ASP A 50 -9.621 -2.778 2.534 1.00 34.55 N ATOM 742 CA ASP A 50 -9.313 -1.404 2.830 1.00 53.23 C ATOM 743 C ASP A 50 -8.130 -1.375 3.738 1.00 40.54 C ATOM 744 O ASP A 50 -8.058 -2.145 4.705 1.00 32.14 O ATOM 745 CB ASP A 50 -10.493 -0.662 3.456 1.00 72.50 C ATOM 746 CG ASP A 50 -11.649 -0.450 2.513 1.00 44.12 C ATOM 747 OD1 ASP A 50 -11.651 0.562 1.784 1.00 44.11 O ATOM 748 OD2 ASP A 50 -12.589 -1.275 2.507 1.00 73.54 O ATOM 0 H ASP A 50 -10.287 -3.211 3.174 1.00 34.55 H new ATOM 0 HA ASP A 50 -9.091 -0.887 1.896 1.00 53.23 H new ATOM 0 HB2 ASP A 50 -10.842 -1.221 4.324 1.00 72.50 H new ATOM 0 HB3 ASP A 50 -10.150 0.307 3.818 1.00 72.50 H new ATOM 753 N VAL A 51 -7.205 -0.528 3.447 1.00 15.44 N ATOM 754 CA VAL A 51 -5.992 -0.489 4.176 1.00 11.43 C ATOM 755 C VAL A 51 -5.589 0.948 4.498 1.00 43.23 C ATOM 756 O VAL A 51 -5.965 1.901 3.806 1.00 62.45 O ATOM 757 CB VAL A 51 -4.867 -1.247 3.407 1.00 42.21 C ATOM 758 CG1 VAL A 51 -4.519 -0.589 2.073 1.00 74.11 C ATOM 759 CG2 VAL A 51 -3.639 -1.475 4.266 1.00 14.41 C ATOM 0 H VAL A 51 -7.271 0.157 2.695 1.00 15.44 H new ATOM 0 HA VAL A 51 -6.145 -0.999 5.127 1.00 11.43 H new ATOM 0 HB VAL A 51 -5.273 -2.230 3.168 1.00 42.21 H new ATOM 0 HG11 VAL A 51 -3.730 -1.159 1.581 1.00 74.11 H new ATOM 0 HG12 VAL A 51 -5.403 -0.568 1.436 1.00 74.11 H new ATOM 0 HG13 VAL A 51 -4.175 0.430 2.249 1.00 74.11 H new ATOM 0 HG21 VAL A 51 -2.883 -2.006 3.687 1.00 14.41 H new ATOM 0 HG22 VAL A 51 -3.239 -0.515 4.591 1.00 14.41 H new ATOM 0 HG23 VAL A 51 -3.911 -2.068 5.139 1.00 14.41 H new ATOM 769 N ILE A 52 -4.870 1.077 5.561 1.00 71.03 N ATOM 770 CA ILE A 52 -4.373 2.331 6.052 1.00 1.32 C ATOM 771 C ILE A 52 -2.863 2.253 5.989 1.00 52.41 C ATOM 772 O ILE A 52 -2.275 1.282 6.482 1.00 65.12 O ATOM 773 CB ILE A 52 -4.782 2.514 7.534 1.00 51.21 C ATOM 774 CG1 ILE A 52 -6.294 2.324 7.697 1.00 43.55 C ATOM 775 CG2 ILE A 52 -4.357 3.897 8.041 1.00 75.41 C ATOM 776 CD1 ILE A 52 -6.750 2.292 9.135 1.00 15.31 C ATOM 0 H ILE A 52 -4.598 0.283 6.140 1.00 71.03 H new ATOM 0 HA ILE A 52 -4.770 3.158 5.464 1.00 1.32 H new ATOM 0 HB ILE A 52 -4.272 1.758 8.130 1.00 51.21 H new ATOM 0 HG12 ILE A 52 -6.811 3.132 7.179 1.00 43.55 H new ATOM 0 HG13 ILE A 52 -6.589 1.394 7.211 1.00 43.55 H new ATOM 0 HG21 ILE A 52 -4.652 4.009 9.084 1.00 75.41 H new ATOM 0 HG22 ILE A 52 -3.275 3.999 7.957 1.00 75.41 H new ATOM 0 HG23 ILE A 52 -4.841 4.669 7.442 1.00 75.41 H new ATOM 0 HD11 ILE A 52 -7.831 2.155 9.171 1.00 15.31 H new ATOM 0 HD12 ILE A 52 -6.262 1.467 9.653 1.00 15.31 H new ATOM 0 HD13 ILE A 52 -6.487 3.232 9.621 1.00 15.31 H new ATOM 788 N PHE A 53 -2.233 3.224 5.400 1.00 14.51 N ATOM 789 CA PHE A 53 -0.795 3.204 5.278 1.00 13.41 C ATOM 790 C PHE A 53 -0.249 4.589 5.366 1.00 2.34 C ATOM 791 O PHE A 53 -1.008 5.555 5.509 1.00 34.01 O ATOM 792 CB PHE A 53 -0.367 2.567 3.939 1.00 41.52 C ATOM 793 CG PHE A 53 -0.939 3.230 2.712 1.00 71.31 C ATOM 794 CD1 PHE A 53 -2.200 2.898 2.256 1.00 25.20 C ATOM 795 CD2 PHE A 53 -0.208 4.173 2.009 1.00 21.15 C ATOM 796 CE1 PHE A 53 -2.719 3.490 1.135 1.00 64.45 C ATOM 797 CE2 PHE A 53 -0.720 4.763 0.883 1.00 31.34 C ATOM 798 CZ PHE A 53 -1.978 4.421 0.445 1.00 15.42 C ATOM 0 H PHE A 53 -2.686 4.043 4.994 1.00 14.51 H new ATOM 0 HA PHE A 53 -0.396 2.605 6.097 1.00 13.41 H new ATOM 0 HB2 PHE A 53 0.721 2.590 3.873 1.00 41.52 H new ATOM 0 HB3 PHE A 53 -0.664 1.518 3.940 1.00 41.52 H new ATOM 0 HD1 PHE A 53 -2.784 2.163 2.790 1.00 25.20 H new ATOM 0 HD2 PHE A 53 0.779 4.447 2.353 1.00 21.15 H new ATOM 0 HE1 PHE A 53 -3.709 3.226 0.793 1.00 64.45 H new ATOM 0 HE2 PHE A 53 -0.138 5.494 0.342 1.00 31.34 H new ATOM 0 HZ PHE A 53 -2.385 4.884 -0.442 1.00 15.42 H new ATOM 808 N ASP A 54 1.041 4.690 5.268 1.00 53.34 N ATOM 809 CA ASP A 54 1.699 5.948 5.211 1.00 64.24 C ATOM 810 C ASP A 54 2.423 5.957 3.907 1.00 23.11 C ATOM 811 O ASP A 54 2.695 4.888 3.344 1.00 51.13 O ATOM 812 CB ASP A 54 2.688 6.177 6.382 1.00 25.31 C ATOM 813 CG ASP A 54 2.042 6.162 7.764 1.00 32.02 C ATOM 814 OD1 ASP A 54 1.107 6.956 8.018 1.00 33.41 O ATOM 815 OD2 ASP A 54 2.471 5.346 8.619 1.00 51.10 O ATOM 0 H ASP A 54 1.670 3.888 5.225 1.00 53.34 H new ATOM 0 HA ASP A 54 0.971 6.755 5.298 1.00 64.24 H new ATOM 0 HB2 ASP A 54 3.459 5.407 6.346 1.00 25.31 H new ATOM 0 HB3 ASP A 54 3.187 7.135 6.238 1.00 25.31 H new ATOM 820 N LEU A 55 2.719 7.091 3.406 1.00 44.01 N ATOM 821 CA LEU A 55 3.348 7.180 2.125 1.00 60.40 C ATOM 822 C LEU A 55 4.624 7.937 2.201 1.00 72.34 C ATOM 823 O LEU A 55 4.685 9.043 2.731 1.00 11.22 O ATOM 824 CB LEU A 55 2.376 7.766 1.101 1.00 22.50 C ATOM 825 CG LEU A 55 2.886 8.113 -0.306 1.00 13.22 C ATOM 826 CD1 LEU A 55 3.662 6.971 -0.888 1.00 52.14 C ATOM 827 CD2 LEU A 55 1.698 8.417 -1.214 1.00 40.02 C ATOM 0 H LEU A 55 2.539 7.987 3.859 1.00 44.01 H new ATOM 0 HA LEU A 55 3.610 6.176 1.790 1.00 60.40 H new ATOM 0 HB2 LEU A 55 1.555 7.059 0.987 1.00 22.50 H new ATOM 0 HB3 LEU A 55 1.956 8.675 1.531 1.00 22.50 H new ATOM 0 HG LEU A 55 3.539 8.982 -0.231 1.00 13.22 H new ATOM 0 HD11 LEU A 55 4.013 7.240 -1.884 1.00 52.14 H new ATOM 0 HD12 LEU A 55 4.517 6.749 -0.250 1.00 52.14 H new ATOM 0 HD13 LEU A 55 3.021 6.092 -0.954 1.00 52.14 H new ATOM 0 HD21 LEU A 55 2.057 8.664 -2.213 1.00 40.02 H new ATOM 0 HD22 LEU A 55 1.048 7.544 -1.267 1.00 40.02 H new ATOM 0 HD23 LEU A 55 1.139 9.261 -0.811 1.00 40.02 H new ATOM 839 N GLU A 56 5.635 7.335 1.681 1.00 13.21 N ATOM 840 CA GLU A 56 6.939 7.904 1.641 1.00 73.32 C ATOM 841 C GLU A 56 7.349 7.938 0.176 1.00 34.41 C ATOM 842 O GLU A 56 7.007 7.022 -0.585 1.00 43.34 O ATOM 843 CB GLU A 56 7.906 7.036 2.453 1.00 31.12 C ATOM 844 CG GLU A 56 9.238 7.699 2.740 1.00 65.10 C ATOM 845 CD GLU A 56 9.070 8.929 3.604 1.00 32.35 C ATOM 846 OE1 GLU A 56 8.808 10.028 3.058 1.00 71.43 O ATOM 847 OE2 GLU A 56 9.176 8.816 4.848 1.00 53.12 O ATOM 0 H GLU A 56 5.578 6.408 1.260 1.00 13.21 H new ATOM 0 HA GLU A 56 6.956 8.906 2.070 1.00 73.32 H new ATOM 0 HB2 GLU A 56 7.433 6.770 3.398 1.00 31.12 H new ATOM 0 HB3 GLU A 56 8.084 6.106 1.913 1.00 31.12 H new ATOM 0 HG2 GLU A 56 9.899 6.990 3.239 1.00 65.10 H new ATOM 0 HG3 GLU A 56 9.718 7.975 1.801 1.00 65.10 H new ATOM 854 N GLU A 57 8.032 8.967 -0.240 1.00 42.44 N ATOM 855 CA GLU A 57 8.381 9.073 -1.635 1.00 45.24 C ATOM 856 C GLU A 57 9.755 8.512 -1.934 1.00 72.42 C ATOM 857 O GLU A 57 10.686 8.629 -1.141 1.00 62.40 O ATOM 858 CB GLU A 57 8.237 10.499 -2.167 1.00 11.14 C ATOM 859 CG GLU A 57 6.819 11.038 -2.091 1.00 21.41 C ATOM 860 CD GLU A 57 6.675 12.382 -2.751 1.00 73.44 C ATOM 861 OE1 GLU A 57 6.967 13.412 -2.107 1.00 4.41 O ATOM 862 OE2 GLU A 57 6.262 12.432 -3.929 1.00 22.12 O ATOM 0 H GLU A 57 8.355 9.733 0.351 1.00 42.44 H new ATOM 0 HA GLU A 57 7.659 8.455 -2.169 1.00 45.24 H new ATOM 0 HB2 GLU A 57 8.897 11.157 -1.602 1.00 11.14 H new ATOM 0 HB3 GLU A 57 8.572 10.526 -3.204 1.00 11.14 H new ATOM 0 HG2 GLU A 57 6.139 10.330 -2.565 1.00 21.41 H new ATOM 0 HG3 GLU A 57 6.520 11.117 -1.046 1.00 21.41 H new ATOM 869 N LYS A 58 9.856 7.906 -3.082 1.00 55.50 N ATOM 870 CA LYS A 58 11.080 7.310 -3.599 1.00 70.54 C ATOM 871 C LYS A 58 11.634 8.262 -4.672 1.00 33.23 C ATOM 872 O LYS A 58 12.233 7.845 -5.666 1.00 44.32 O ATOM 873 CB LYS A 58 10.709 5.938 -4.212 1.00 41.33 C ATOM 874 CG LYS A 58 11.857 5.137 -4.807 1.00 2.05 C ATOM 875 CD LYS A 58 11.379 3.798 -5.336 1.00 33.42 C ATOM 876 CE LYS A 58 12.515 3.008 -5.964 1.00 1.15 C ATOM 877 NZ LYS A 58 12.059 1.690 -6.463 1.00 11.23 N ATOM 0 H LYS A 58 9.064 7.803 -3.717 1.00 55.50 H new ATOM 0 HA LYS A 58 11.834 7.161 -2.826 1.00 70.54 H new ATOM 0 HB2 LYS A 58 10.234 5.334 -3.439 1.00 41.33 H new ATOM 0 HB3 LYS A 58 9.964 6.101 -4.991 1.00 41.33 H new ATOM 0 HG2 LYS A 58 12.320 5.705 -5.614 1.00 2.05 H new ATOM 0 HG3 LYS A 58 12.624 4.978 -4.049 1.00 2.05 H new ATOM 0 HD2 LYS A 58 10.939 3.221 -4.523 1.00 33.42 H new ATOM 0 HD3 LYS A 58 10.594 3.957 -6.075 1.00 33.42 H new ATOM 0 HE2 LYS A 58 12.944 3.580 -6.787 1.00 1.15 H new ATOM 0 HE3 LYS A 58 13.307 2.864 -5.229 1.00 1.15 H new ATOM 0 HZ1 LYS A 58 12.862 1.181 -6.884 1.00 11.23 H new ATOM 0 HZ2 LYS A 58 11.673 1.134 -5.673 1.00 11.23 H new ATOM 0 HZ3 LYS A 58 11.321 1.828 -7.183 1.00 11.23 H new ATOM 891 N GLN A 59 11.449 9.553 -4.416 1.00 60.34 N ATOM 892 CA GLN A 59 11.801 10.613 -5.347 1.00 75.14 C ATOM 893 C GLN A 59 10.960 10.478 -6.603 1.00 3.45 C ATOM 894 O GLN A 59 11.309 9.757 -7.543 1.00 14.12 O ATOM 895 CB GLN A 59 13.303 10.647 -5.669 1.00 42.52 C ATOM 896 CG GLN A 59 13.701 11.748 -6.631 1.00 42.42 C ATOM 897 CD GLN A 59 15.172 11.729 -6.954 1.00 64.02 C ATOM 898 OE1 GLN A 59 15.998 11.326 -6.135 1.00 14.21 O ATOM 899 NE2 GLN A 59 15.510 12.150 -8.135 1.00 14.41 N ATOM 0 H GLN A 59 11.045 9.894 -3.544 1.00 60.34 H new ATOM 0 HA GLN A 59 11.583 11.569 -4.870 1.00 75.14 H new ATOM 0 HB2 GLN A 59 13.861 10.770 -4.741 1.00 42.52 H new ATOM 0 HB3 GLN A 59 13.596 9.686 -6.091 1.00 42.52 H new ATOM 0 HG2 GLN A 59 13.129 11.645 -7.553 1.00 42.42 H new ATOM 0 HG3 GLN A 59 13.440 12.714 -6.200 1.00 42.42 H new ATOM 0 HE21 GLN A 59 14.794 12.476 -8.784 1.00 14.41 H new ATOM 0 HE22 GLN A 59 16.491 12.155 -8.413 1.00 14.41 H new ATOM 908 N GLY A 60 9.816 11.100 -6.581 1.00 24.52 N ATOM 909 CA GLY A 60 8.909 11.001 -7.690 1.00 53.53 C ATOM 910 C GLY A 60 7.985 9.803 -7.560 1.00 33.23 C ATOM 911 O GLY A 60 6.764 9.934 -7.715 1.00 23.24 O ATOM 0 H GLY A 60 9.489 11.681 -5.809 1.00 24.52 H new ATOM 0 HA2 GLY A 60 8.315 11.912 -7.756 1.00 53.53 H new ATOM 0 HA3 GLY A 60 9.476 10.923 -8.617 1.00 53.53 H new ATOM 915 N LYS A 61 8.547 8.639 -7.252 1.00 35.04 N ATOM 916 CA LYS A 61 7.748 7.436 -7.131 1.00 21.20 C ATOM 917 C LYS A 61 7.140 7.367 -5.736 1.00 11.12 C ATOM 918 O LYS A 61 7.705 7.913 -4.784 1.00 33.10 O ATOM 919 CB LYS A 61 8.589 6.195 -7.416 1.00 74.33 C ATOM 920 CG LYS A 61 9.303 6.245 -8.740 1.00 23.32 C ATOM 921 CD LYS A 61 8.343 6.421 -9.898 1.00 53.15 C ATOM 922 CE LYS A 61 9.122 6.612 -11.155 1.00 53.35 C ATOM 923 NZ LYS A 61 8.271 6.819 -12.340 1.00 54.12 N ATOM 0 H LYS A 61 9.545 8.508 -7.084 1.00 35.04 H new ATOM 0 HA LYS A 61 6.945 7.468 -7.868 1.00 21.20 H new ATOM 0 HB2 LYS A 61 9.324 6.073 -6.620 1.00 74.33 H new ATOM 0 HB3 LYS A 61 7.945 5.316 -7.392 1.00 74.33 H new ATOM 0 HG2 LYS A 61 10.019 7.067 -8.735 1.00 23.32 H new ATOM 0 HG3 LYS A 61 9.873 5.327 -8.879 1.00 23.32 H new ATOM 0 HD2 LYS A 61 7.696 5.548 -9.986 1.00 53.15 H new ATOM 0 HD3 LYS A 61 7.696 7.281 -9.723 1.00 53.15 H new ATOM 0 HE2 LYS A 61 9.785 7.469 -11.037 1.00 53.35 H new ATOM 0 HE3 LYS A 61 9.755 5.740 -11.318 1.00 53.35 H new ATOM 0 HZ1 LYS A 61 8.871 6.945 -13.180 1.00 54.12 H new ATOM 0 HZ2 LYS A 61 7.656 5.991 -12.475 1.00 54.12 H new ATOM 0 HZ3 LYS A 61 7.685 7.667 -12.203 1.00 54.12 H new ATOM 937 N ALA A 62 6.022 6.706 -5.613 1.00 10.00 N ATOM 938 CA ALA A 62 5.294 6.655 -4.364 1.00 11.31 C ATOM 939 C ALA A 62 5.071 5.216 -3.915 1.00 1.41 C ATOM 940 O ALA A 62 4.474 4.421 -4.646 1.00 31.31 O ATOM 941 CB ALA A 62 3.953 7.364 -4.548 1.00 25.35 C ATOM 0 H ALA A 62 5.585 6.185 -6.374 1.00 10.00 H new ATOM 0 HA ALA A 62 5.878 7.154 -3.591 1.00 11.31 H new ATOM 0 HB1 ALA A 62 3.394 7.333 -3.613 1.00 25.35 H new ATOM 0 HB2 ALA A 62 4.126 8.402 -4.833 1.00 25.35 H new ATOM 0 HB3 ALA A 62 3.381 6.864 -5.330 1.00 25.35 H new ATOM 947 N TYR A 63 5.541 4.881 -2.718 1.00 15.24 N ATOM 948 CA TYR A 63 5.355 3.542 -2.180 1.00 54.42 C ATOM 949 C TYR A 63 4.721 3.572 -0.806 1.00 72.45 C ATOM 950 O TYR A 63 5.111 4.361 0.071 1.00 12.24 O ATOM 951 CB TYR A 63 6.658 2.726 -2.163 1.00 1.14 C ATOM 952 CG TYR A 63 7.801 3.298 -1.337 1.00 73.30 C ATOM 953 CD1 TYR A 63 8.551 4.373 -1.788 1.00 52.14 C ATOM 954 CD2 TYR A 63 8.125 2.752 -0.105 1.00 24.10 C ATOM 955 CE1 TYR A 63 9.591 4.884 -1.030 1.00 42.35 C ATOM 956 CE2 TYR A 63 9.161 3.255 0.652 1.00 71.54 C ATOM 957 CZ TYR A 63 9.890 4.320 0.188 1.00 21.32 C ATOM 958 OH TYR A 63 10.933 4.823 0.944 1.00 3.52 O ATOM 0 H TYR A 63 6.051 5.517 -2.105 1.00 15.24 H new ATOM 0 HA TYR A 63 4.668 3.036 -2.858 1.00 54.42 H new ATOM 0 HB2 TYR A 63 6.432 1.728 -1.789 1.00 1.14 H new ATOM 0 HB3 TYR A 63 7.003 2.611 -3.191 1.00 1.14 H new ATOM 0 HD1 TYR A 63 8.321 4.818 -2.745 1.00 52.14 H new ATOM 0 HD2 TYR A 63 7.554 1.915 0.269 1.00 24.10 H new ATOM 0 HE1 TYR A 63 10.166 5.723 -1.394 1.00 42.35 H new ATOM 0 HE2 TYR A 63 9.398 2.812 1.608 1.00 71.54 H new ATOM 0 HH TYR A 63 11.010 4.312 1.777 1.00 3.52 H new ATOM 968 N ALA A 64 3.736 2.739 -0.643 1.00 10.32 N ATOM 969 CA ALA A 64 3.001 2.610 0.601 1.00 35.41 C ATOM 970 C ALA A 64 3.839 1.880 1.611 1.00 20.13 C ATOM 971 O ALA A 64 4.555 0.931 1.269 1.00 24.40 O ATOM 972 CB ALA A 64 1.698 1.861 0.352 1.00 52.41 C ATOM 0 H ALA A 64 3.407 2.114 -1.379 1.00 10.32 H new ATOM 0 HA ALA A 64 2.768 3.601 0.990 1.00 35.41 H new ATOM 0 HB1 ALA A 64 1.148 1.766 1.288 1.00 52.41 H new ATOM 0 HB2 ALA A 64 1.094 2.412 -0.369 1.00 52.41 H new ATOM 0 HB3 ALA A 64 1.918 0.869 -0.042 1.00 52.41 H new ATOM 978 N VAL A 65 3.767 2.335 2.837 1.00 13.41 N ATOM 979 CA VAL A 65 4.492 1.754 3.949 1.00 71.51 C ATOM 980 C VAL A 65 3.604 1.726 5.161 1.00 1.31 C ATOM 981 O VAL A 65 2.575 2.390 5.171 1.00 21.11 O ATOM 982 CB VAL A 65 5.820 2.517 4.306 1.00 3.04 C ATOM 983 CG1 VAL A 65 6.822 2.451 3.175 1.00 20.30 C ATOM 984 CG2 VAL A 65 5.547 3.969 4.690 1.00 43.24 C ATOM 0 H VAL A 65 3.192 3.136 3.099 1.00 13.41 H new ATOM 0 HA VAL A 65 4.778 0.748 3.641 1.00 71.51 H new ATOM 0 HB VAL A 65 6.251 2.012 5.170 1.00 3.04 H new ATOM 0 HG11 VAL A 65 7.727 2.989 3.458 1.00 20.30 H new ATOM 0 HG12 VAL A 65 7.069 1.410 2.968 1.00 20.30 H new ATOM 0 HG13 VAL A 65 6.394 2.907 2.282 1.00 20.30 H new ATOM 0 HG21 VAL A 65 6.488 4.465 4.930 1.00 43.24 H new ATOM 0 HG22 VAL A 65 5.069 4.482 3.856 1.00 43.24 H new ATOM 0 HG23 VAL A 65 4.889 3.998 5.559 1.00 43.24 H new ATOM 994 N ASN A 66 3.998 0.946 6.165 1.00 33.32 N ATOM 995 CA ASN A 66 3.279 0.858 7.447 1.00 42.22 C ATOM 996 C ASN A 66 1.841 0.405 7.240 1.00 52.31 C ATOM 997 O ASN A 66 0.901 1.170 7.459 1.00 2.42 O ATOM 998 CB ASN A 66 3.284 2.201 8.176 1.00 13.13 C ATOM 999 CG ASN A 66 2.779 2.091 9.604 1.00 70.33 C ATOM 1000 OD1 ASN A 66 2.962 1.064 10.267 1.00 32.14 O ATOM 1001 ND2 ASN A 66 2.159 3.124 10.087 1.00 15.22 N ATOM 0 H ASN A 66 4.827 0.353 6.119 1.00 33.32 H new ATOM 0 HA ASN A 66 3.801 0.120 8.057 1.00 42.22 H new ATOM 0 HB2 ASN A 66 4.297 2.603 8.183 1.00 13.13 H new ATOM 0 HB3 ASN A 66 2.663 2.910 7.628 1.00 13.13 H new ATOM 0 HD21 ASN A 66 1.805 3.105 11.043 1.00 15.22 H new ATOM 0 HD22 ASN A 66 2.026 3.955 9.510 1.00 15.22 H new ATOM 1008 N LEU A 67 1.655 -0.792 6.755 1.00 52.22 N ATOM 1009 CA LEU A 67 0.309 -1.218 6.466 1.00 54.31 C ATOM 1010 C LEU A 67 -0.449 -1.653 7.700 1.00 5.32 C ATOM 1011 O LEU A 67 0.079 -2.351 8.572 1.00 62.40 O ATOM 1012 CB LEU A 67 0.238 -2.309 5.420 1.00 15.33 C ATOM 1013 CG LEU A 67 0.851 -2.017 4.061 1.00 63.01 C ATOM 1014 CD1 LEU A 67 0.441 -3.059 3.114 1.00 4.14 C ATOM 1015 CD2 LEU A 67 0.466 -0.656 3.533 1.00 15.13 C ATOM 0 H LEU A 67 2.389 -1.472 6.556 1.00 52.22 H new ATOM 0 HA LEU A 67 -0.172 -0.328 6.060 1.00 54.31 H new ATOM 0 HB2 LEU A 67 0.725 -3.196 5.825 1.00 15.33 H new ATOM 0 HB3 LEU A 67 -0.811 -2.562 5.269 1.00 15.33 H new ATOM 0 HG LEU A 67 1.935 -2.016 4.178 1.00 63.01 H new ATOM 0 HD11 LEU A 67 0.878 -2.855 2.137 1.00 4.14 H new ATOM 0 HD12 LEU A 67 0.786 -4.030 3.470 1.00 4.14 H new ATOM 0 HD13 LEU A 67 -0.646 -3.068 3.031 1.00 4.14 H new ATOM 0 HD21 LEU A 67 0.931 -0.498 2.560 1.00 15.13 H new ATOM 0 HD22 LEU A 67 -0.618 -0.598 3.431 1.00 15.13 H new ATOM 0 HD23 LEU A 67 0.807 0.113 4.226 1.00 15.13 H new ATOM 1027 N ARG A 68 -1.678 -1.242 7.744 1.00 71.01 N ATOM 1028 CA ARG A 68 -2.603 -1.577 8.796 1.00 52.41 C ATOM 1029 C ARG A 68 -3.937 -1.778 8.103 1.00 63.14 C ATOM 1030 O ARG A 68 -4.315 -0.942 7.289 1.00 4.21 O ATOM 1031 CB ARG A 68 -2.750 -0.375 9.755 1.00 74.23 C ATOM 1032 CG ARG A 68 -3.472 -0.674 11.043 1.00 24.15 C ATOM 1033 CD ARG A 68 -2.573 -1.463 11.966 1.00 44.31 C ATOM 1034 NE ARG A 68 -1.392 -0.670 12.377 1.00 41.22 N ATOM 1035 CZ ARG A 68 -0.252 -1.169 12.889 1.00 14.21 C ATOM 1036 NH1 ARG A 68 -0.102 -2.475 13.057 1.00 51.13 N ATOM 1037 NH2 ARG A 68 0.735 -0.348 13.234 1.00 11.44 N ATOM 0 H ARG A 68 -2.085 -0.643 7.026 1.00 71.01 H new ATOM 0 HA ARG A 68 -2.273 -2.450 9.359 1.00 52.41 H new ATOM 0 HB2 ARG A 68 -1.756 0.005 9.993 1.00 74.23 H new ATOM 0 HB3 ARG A 68 -3.280 0.423 9.235 1.00 74.23 H new ATOM 0 HG2 ARG A 68 -3.775 0.256 11.524 1.00 24.15 H new ATOM 0 HG3 ARG A 68 -4.382 -1.238 10.837 1.00 24.15 H new ATOM 0 HD2 ARG A 68 -3.134 -1.768 12.849 1.00 44.31 H new ATOM 0 HD3 ARG A 68 -2.245 -2.374 11.466 1.00 44.31 H new ATOM 0 HE ARG A 68 -1.447 0.342 12.262 1.00 41.22 H new ATOM 0 HH11 ARG A 68 -0.855 -3.112 12.797 1.00 51.13 H new ATOM 0 HH12 ARG A 68 0.766 -2.843 13.446 1.00 51.13 H new ATOM 0 HH21 ARG A 68 0.628 0.659 13.111 1.00 11.44 H new ATOM 0 HH22 ARG A 68 1.600 -0.725 13.622 1.00 11.44 H new ATOM 1051 N ILE A 69 -4.642 -2.844 8.374 1.00 33.13 N ATOM 1052 CA ILE A 69 -5.931 -3.012 7.729 1.00 23.15 C ATOM 1053 C ILE A 69 -7.000 -2.161 8.371 1.00 31.31 C ATOM 1054 O ILE A 69 -6.942 -1.875 9.574 1.00 35.34 O ATOM 1055 CB ILE A 69 -6.392 -4.503 7.504 1.00 32.41 C ATOM 1056 CG1 ILE A 69 -6.329 -5.393 8.772 1.00 73.01 C ATOM 1057 CG2 ILE A 69 -5.627 -5.138 6.373 1.00 43.54 C ATOM 1058 CD1 ILE A 69 -7.298 -5.036 9.874 1.00 33.42 C ATOM 0 H ILE A 69 -4.365 -3.589 9.013 1.00 33.13 H new ATOM 0 HA ILE A 69 -5.775 -2.641 6.716 1.00 23.15 H new ATOM 0 HB ILE A 69 -7.448 -4.440 7.241 1.00 32.41 H new ATOM 0 HG12 ILE A 69 -6.509 -6.427 8.477 1.00 73.01 H new ATOM 0 HG13 ILE A 69 -5.317 -5.348 9.175 1.00 73.01 H new ATOM 0 HG21 ILE A 69 -5.964 -6.166 6.238 1.00 43.54 H new ATOM 0 HG22 ILE A 69 -5.801 -4.576 5.455 1.00 43.54 H new ATOM 0 HG23 ILE A 69 -4.562 -5.132 6.606 1.00 43.54 H new ATOM 0 HD11 ILE A 69 -7.167 -5.722 10.711 1.00 33.42 H new ATOM 0 HD12 ILE A 69 -7.109 -4.016 10.208 1.00 33.42 H new ATOM 0 HD13 ILE A 69 -8.319 -5.112 9.500 1.00 33.42 H new ATOM 1070 N LYS A 70 -7.926 -1.709 7.564 1.00 43.40 N ATOM 1071 CA LYS A 70 -9.017 -0.906 8.034 1.00 65.42 C ATOM 1072 C LYS A 70 -9.972 -1.770 8.851 1.00 61.32 C ATOM 1073 O LYS A 70 -10.785 -2.527 8.252 1.00 38.57 O ATOM 1074 CB LYS A 70 -9.764 -0.275 6.871 1.00 74.05 C ATOM 1075 CG LYS A 70 -10.756 0.766 7.306 1.00 61.43 C ATOM 1076 CD LYS A 70 -11.541 1.318 6.139 1.00 60.34 C ATOM 1077 CE LYS A 70 -12.504 2.383 6.599 1.00 11.41 C ATOM 1078 NZ LYS A 70 -13.360 2.865 5.506 1.00 23.01 N ATOM 1079 OXT LYS A 70 -9.933 -1.702 10.076 1.00 38.57 O ATOM 0 H LYS A 70 -7.941 -1.890 6.560 1.00 43.40 H new ATOM 0 HA LYS A 70 -8.617 -0.108 8.659 1.00 65.42 H new ATOM 0 HB2 LYS A 70 -9.046 0.179 6.188 1.00 74.05 H new ATOM 0 HB3 LYS A 70 -10.284 -1.055 6.315 1.00 74.05 H new ATOM 0 HG2 LYS A 70 -11.443 0.332 8.033 1.00 61.43 H new ATOM 0 HG3 LYS A 70 -10.232 1.579 7.808 1.00 61.43 H new ATOM 0 HD2 LYS A 70 -10.857 1.734 5.399 1.00 60.34 H new ATOM 0 HD3 LYS A 70 -12.089 0.513 5.650 1.00 60.34 H new ATOM 0 HE2 LYS A 70 -13.128 1.985 7.399 1.00 11.41 H new ATOM 0 HE3 LYS A 70 -11.945 3.220 7.017 1.00 11.41 H new ATOM 0 HZ1 LYS A 70 -14.006 3.596 5.867 1.00 23.01 H new ATOM 0 HZ2 LYS A 70 -12.767 3.269 4.753 1.00 23.01 H new ATOM 0 HZ3 LYS A 70 -13.914 2.072 5.123 1.00 23.01 H new