USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 893 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 37 LYS NZ :NH3+ -109:sc= -0.593 (180deg=-2.64!) USER MOD Set 1.2: A 67 HIS :FLIP no HD1:sc= -2.11! C(o=-5.3!,f=-2.7!) USER MOD Single : A 4 LYS NZ :NH3+ -161:sc= -0.079 (180deg=-0.578) USER MOD Single : A 7 MET CE :methyl -133:sc= -0.0435 (180deg=-0.532) USER MOD Single : A 11 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.112) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 19 LYS NZ :NH3+ 138:sc= -0.0328! (180deg=-1) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 171:sc= -0.0274 (180deg=-0.0401) USER MOD Single : A 29 ASN :FLIP amide:sc= -1.38 F(o=-3.6!,f=-1.4) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0724 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 41 TYR OH : rot 180:sc= -3.31! USER MOD Single : A 45 CYS SG : rot 20:sc= -0.628 USER MOD Single : A 47 GLN : amide:sc= -4.58! C(o=-4.6!,f=-8.9!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.979! C(o=-13!,f=-0.98!) USER MOD Single : A 66 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.125) USER MOD Single : A 68 HIS : no HE2:sc= -1.17! C(o=-1.2!,f=-5.4!) USER MOD Single : A 70 THR OG1 : rot 121:sc= -4.53! USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot -130:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.0582 K(o=-0.058,f=-2!) USER MOD Single : A 82 SER OG : rot 150:sc= -0.48 USER MOD Single : A 83 CYS SG : rot 120:sc= -4.36! USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 145:sc= -3.08! (180deg=-7.81!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 139:sc= -4.96! USER MOD Single : A 97 LYS NZ :NH3+ 144:sc= 1.45 (180deg=-0.665!) USER MOD Single : A 103 THR OG1 : rot 112:sc= 0.511! USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0196! USER MOD Single : A 110 ASN :FLIP amide:sc= -15.7! C(o=-22!,f=-16!) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 137:sc= -5.36! (180deg=-9.36!) USER MOD Single : A 118 GLN : amide:sc= -7.42! C(o=-7.4!,f=-7.1!) USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 -6.628 -8.703 85.516 1.00 0.00 N ATOM 44 CA LYS A 4 -6.581 -8.329 86.953 1.00 0.00 C ATOM 45 C LYS A 4 -5.884 -9.434 87.749 1.00 0.00 C ATOM 46 O LYS A 4 -4.755 -9.287 88.173 1.00 0.00 O ATOM 47 CB LYS A 4 -8.010 -8.130 87.460 1.00 0.00 C ATOM 48 CG LYS A 4 -8.671 -7.006 86.659 1.00 0.00 C ATOM 49 CD LYS A 4 -9.964 -6.563 87.344 1.00 0.00 C ATOM 50 CE LYS A 4 -10.643 -5.489 86.492 1.00 0.00 C ATOM 51 NZ LYS A 4 -9.751 -4.299 86.391 1.00 0.00 N ATOM 0 HA LYS A 4 -6.021 -7.403 87.080 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.579 -9.053 87.353 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.002 -7.881 88.521 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.988 -6.161 86.572 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.885 -7.348 85.646 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.631 -7.415 87.475 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.747 -6.172 88.338 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.859 -5.881 85.498 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.597 -5.205 86.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.310 -3.470 86.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.310 -4.117 87.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.011 -4.479 85.683 1.00 0.00 H new ATOM 65 N GLU A 5 -6.543 -10.540 87.948 1.00 0.00 N ATOM 66 CA GLU A 5 -5.918 -11.657 88.714 1.00 0.00 C ATOM 67 C GLU A 5 -4.476 -11.873 88.239 1.00 0.00 C ATOM 68 O GLU A 5 -3.671 -12.477 88.921 1.00 0.00 O ATOM 69 CB GLU A 5 -6.726 -12.938 88.480 1.00 0.00 C ATOM 70 CG GLU A 5 -6.374 -13.972 89.552 1.00 0.00 C ATOM 71 CD GLU A 5 -7.060 -13.599 90.868 1.00 0.00 C ATOM 72 OE1 GLU A 5 -7.801 -12.630 90.873 1.00 0.00 O ATOM 73 OE2 GLU A 5 -6.832 -14.290 91.848 1.00 0.00 O ATOM 0 H GLU A 5 -7.489 -10.721 87.613 1.00 0.00 H new ATOM 0 HA GLU A 5 -5.912 -11.409 89.775 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.793 -12.717 88.510 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.511 -13.339 87.489 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.692 -14.965 89.233 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.294 -14.013 89.692 1.00 0.00 H new ATOM 80 N PHE A 6 -4.149 -11.394 87.071 1.00 0.00 N ATOM 81 CA PHE A 6 -2.770 -11.584 86.541 1.00 0.00 C ATOM 82 C PHE A 6 -1.793 -10.689 87.325 1.00 0.00 C ATOM 83 O PHE A 6 -1.072 -11.158 88.181 1.00 0.00 O ATOM 84 CB PHE A 6 -2.746 -11.221 85.047 1.00 0.00 C ATOM 85 CG PHE A 6 -1.645 -11.970 84.311 1.00 0.00 C ATOM 86 CD1 PHE A 6 -0.510 -12.453 84.986 1.00 0.00 C ATOM 87 CD2 PHE A 6 -1.772 -12.183 82.931 1.00 0.00 C ATOM 88 CE1 PHE A 6 0.485 -13.141 84.278 1.00 0.00 C ATOM 89 CE2 PHE A 6 -0.775 -12.871 82.228 1.00 0.00 C ATOM 90 CZ PHE A 6 0.352 -13.350 82.902 1.00 0.00 C ATOM 0 H PHE A 6 -4.780 -10.877 86.459 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.467 -12.624 86.658 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -3.711 -11.457 84.598 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -2.596 -10.147 84.934 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -0.405 -12.294 86.049 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -2.642 -11.815 82.408 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.357 -13.511 84.797 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -0.877 -13.031 81.165 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.120 -13.882 82.360 1.00 0.00 H new ATOM 100 N MET A 7 -1.744 -9.410 87.034 1.00 0.00 N ATOM 101 CA MET A 7 -0.786 -8.525 87.769 1.00 0.00 C ATOM 102 C MET A 7 -1.116 -8.502 89.266 1.00 0.00 C ATOM 103 O MET A 7 -0.252 -8.270 90.088 1.00 0.00 O ATOM 104 CB MET A 7 -0.808 -7.101 87.185 1.00 0.00 C ATOM 105 CG MET A 7 -1.923 -6.262 87.816 1.00 0.00 C ATOM 106 SD MET A 7 -3.522 -7.023 87.466 1.00 0.00 S ATOM 107 CE MET A 7 -3.641 -6.522 85.728 1.00 0.00 C ATOM 0 H MET A 7 -2.318 -8.946 86.329 1.00 0.00 H new ATOM 0 HA MET A 7 0.219 -8.928 87.646 1.00 0.00 H new ATOM 0 HB2 MET A 7 0.155 -6.620 87.357 1.00 0.00 H new ATOM 0 HB3 MET A 7 -0.952 -7.150 86.106 1.00 0.00 H new ATOM 0 HG2 MET A 7 -1.772 -6.188 88.893 1.00 0.00 H new ATOM 0 HG3 MET A 7 -1.897 -5.247 87.420 1.00 0.00 H new ATOM 0 HE1 MET A 7 -4.632 -6.110 85.535 1.00 0.00 H new ATOM 0 HE2 MET A 7 -2.886 -5.765 85.515 1.00 0.00 H new ATOM 0 HE3 MET A 7 -3.477 -7.389 85.087 1.00 0.00 H new ATOM 117 N TRP A 8 -2.347 -8.737 89.638 1.00 0.00 N ATOM 118 CA TRP A 8 -2.684 -8.717 91.091 1.00 0.00 C ATOM 119 C TRP A 8 -1.945 -9.848 91.807 1.00 0.00 C ATOM 120 O TRP A 8 -1.740 -9.807 93.004 1.00 0.00 O ATOM 121 CB TRP A 8 -4.191 -8.890 91.289 1.00 0.00 C ATOM 122 CG TRP A 8 -4.529 -8.573 92.710 1.00 0.00 C ATOM 123 CD1 TRP A 8 -4.885 -9.482 93.646 1.00 0.00 C ATOM 124 CD2 TRP A 8 -4.537 -7.276 93.373 1.00 0.00 C ATOM 125 NE1 TRP A 8 -5.113 -8.826 94.842 1.00 0.00 N ATOM 126 CE2 TRP A 8 -4.911 -7.464 94.724 1.00 0.00 C ATOM 127 CE3 TRP A 8 -4.259 -5.969 92.936 1.00 0.00 C ATOM 128 CZ2 TRP A 8 -5.006 -6.391 95.611 1.00 0.00 C ATOM 129 CZ3 TRP A 8 -4.353 -4.887 93.826 1.00 0.00 C ATOM 130 CH2 TRP A 8 -4.726 -5.098 95.161 1.00 0.00 C ATOM 0 H TRP A 8 -3.124 -8.939 89.008 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.378 -7.757 91.508 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -4.738 -8.231 90.615 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.489 -9.911 91.049 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.976 -10.546 93.486 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -5.396 -9.290 95.705 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.971 -5.796 91.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -5.294 -6.559 96.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -4.137 -3.887 93.480 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -4.797 -4.262 95.841 1.00 0.00 H new ATOM 141 N ALA A 9 -1.541 -10.855 91.083 1.00 0.00 N ATOM 142 CA ALA A 9 -0.810 -11.986 91.716 1.00 0.00 C ATOM 143 C ALA A 9 0.679 -11.649 91.767 1.00 0.00 C ATOM 144 O ALA A 9 1.290 -11.654 92.817 1.00 0.00 O ATOM 145 CB ALA A 9 -1.024 -13.265 90.904 1.00 0.00 C ATOM 0 H ALA A 9 -1.687 -10.943 90.077 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.186 -12.145 92.727 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.486 -14.088 91.374 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.088 -13.500 90.869 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.651 -13.119 89.890 1.00 0.00 H new ATOM 151 N LEU A 10 1.263 -11.332 90.643 1.00 0.00 N ATOM 152 CA LEU A 10 2.706 -10.966 90.632 1.00 0.00 C ATOM 153 C LEU A 10 2.920 -9.867 91.671 1.00 0.00 C ATOM 154 O LEU A 10 4.031 -9.502 92.005 1.00 0.00 O ATOM 155 CB LEU A 10 3.070 -10.407 89.252 1.00 0.00 C ATOM 156 CG LEU A 10 2.752 -11.438 88.152 1.00 0.00 C ATOM 157 CD1 LEU A 10 1.961 -10.777 87.015 1.00 0.00 C ATOM 158 CD2 LEU A 10 4.058 -12.002 87.590 1.00 0.00 C ATOM 0 H LEU A 10 0.802 -11.311 89.733 1.00 0.00 H new ATOM 0 HA LEU A 10 3.321 -11.838 90.853 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.515 -9.487 89.068 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.129 -10.152 89.224 1.00 0.00 H new ATOM 0 HG LEU A 10 2.154 -12.240 88.585 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.743 -11.517 86.245 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.026 -10.376 87.407 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.551 -9.968 86.584 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.834 -12.732 86.812 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.652 -11.192 87.168 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.620 -12.485 88.390 1.00 0.00 H new ATOM 170 N LYS A 11 1.840 -9.314 92.135 1.00 0.00 N ATOM 171 CA LYS A 11 1.896 -8.191 93.112 1.00 0.00 C ATOM 172 C LYS A 11 1.911 -8.678 94.571 1.00 0.00 C ATOM 173 O LYS A 11 2.908 -8.573 95.257 1.00 0.00 O ATOM 174 CB LYS A 11 0.651 -7.337 92.883 1.00 0.00 C ATOM 175 CG LYS A 11 0.588 -6.196 93.902 1.00 0.00 C ATOM 176 CD LYS A 11 -0.590 -6.428 94.846 1.00 0.00 C ATOM 177 CE LYS A 11 -0.936 -5.128 95.549 1.00 0.00 C ATOM 178 NZ LYS A 11 0.190 -4.737 96.439 1.00 0.00 N ATOM 0 H LYS A 11 0.896 -9.599 91.873 1.00 0.00 H new ATOM 0 HA LYS A 11 2.818 -7.632 92.956 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.663 -6.929 91.872 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.242 -7.956 92.966 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.518 -6.146 94.468 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.476 -5.241 93.389 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.452 -6.793 94.287 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.338 -7.195 95.579 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.125 -4.344 94.816 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.850 -5.248 96.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.106 -3.946 97.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.461 -5.547 97.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.004 -4.444 95.861 1.00 0.00 H new ATOM 192 N ASN A 12 0.799 -9.157 95.067 1.00 0.00 N ATOM 193 CA ASN A 12 0.739 -9.586 96.496 1.00 0.00 C ATOM 194 C ASN A 12 1.415 -10.944 96.692 1.00 0.00 C ATOM 195 O ASN A 12 1.146 -11.646 97.646 1.00 0.00 O ATOM 196 CB ASN A 12 -0.731 -9.685 96.919 1.00 0.00 C ATOM 197 CG ASN A 12 -0.910 -9.066 98.306 1.00 0.00 C ATOM 198 OD1 ASN A 12 -0.638 -7.897 98.502 1.00 0.00 O ATOM 199 ND2 ASN A 12 -1.362 -9.804 99.282 1.00 0.00 N ATOM 0 H ASN A 12 -0.070 -9.269 94.544 1.00 0.00 H new ATOM 0 HA ASN A 12 1.265 -8.852 97.106 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.363 -9.170 96.196 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -1.046 -10.728 96.932 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -1.488 -9.401 100.210 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -1.590 -10.784 99.117 1.00 0.00 H new ATOM 206 N GLY A 13 2.309 -11.310 95.824 1.00 0.00 N ATOM 207 CA GLY A 13 3.012 -12.603 95.992 1.00 0.00 C ATOM 208 C GLY A 13 2.042 -13.774 95.853 1.00 0.00 C ATOM 209 O GLY A 13 2.337 -14.873 96.276 1.00 0.00 O ATOM 0 H GLY A 13 2.583 -10.768 95.004 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.803 -12.691 95.247 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.491 -12.637 96.971 1.00 0.00 H new ATOM 213 N ASP A 14 0.904 -13.573 95.250 1.00 0.00 N ATOM 214 CA ASP A 14 -0.027 -14.715 95.083 1.00 0.00 C ATOM 215 C ASP A 14 0.610 -15.668 94.087 1.00 0.00 C ATOM 216 O ASP A 14 0.043 -16.039 93.079 1.00 0.00 O ATOM 217 CB ASP A 14 -1.378 -14.242 94.565 1.00 0.00 C ATOM 218 CG ASP A 14 -1.694 -12.850 95.118 1.00 0.00 C ATOM 219 OD1 ASP A 14 -0.834 -11.990 95.032 1.00 0.00 O ATOM 220 OD2 ASP A 14 -2.795 -12.668 95.610 1.00 0.00 O ATOM 0 H ASP A 14 0.584 -12.681 94.872 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.200 -15.206 96.040 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.370 -14.216 93.475 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.156 -14.945 94.861 1.00 0.00 H new ATOM 225 N LEU A 15 1.810 -16.036 94.381 1.00 0.00 N ATOM 226 CA LEU A 15 2.584 -16.946 93.508 1.00 0.00 C ATOM 227 C LEU A 15 1.706 -18.130 93.093 1.00 0.00 C ATOM 228 O LEU A 15 1.910 -18.749 92.066 1.00 0.00 O ATOM 229 CB LEU A 15 3.806 -17.406 94.318 1.00 0.00 C ATOM 230 CG LEU A 15 4.706 -18.351 93.512 1.00 0.00 C ATOM 231 CD1 LEU A 15 4.110 -19.765 93.491 1.00 0.00 C ATOM 232 CD2 LEU A 15 4.881 -17.834 92.078 1.00 0.00 C ATOM 0 H LEU A 15 2.307 -15.735 95.219 1.00 0.00 H new ATOM 0 HA LEU A 15 2.910 -16.451 92.593 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.382 -16.535 94.631 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.471 -17.910 95.225 1.00 0.00 H new ATOM 0 HG LEU A 15 5.684 -18.387 93.992 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.759 -20.425 92.916 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.025 -20.139 94.511 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.122 -19.737 93.031 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.522 -18.517 91.521 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.907 -17.773 91.592 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.338 -16.845 92.101 1.00 0.00 H new ATOM 244 N ASP A 16 0.725 -18.439 93.885 1.00 0.00 N ATOM 245 CA ASP A 16 -0.180 -19.565 93.558 1.00 0.00 C ATOM 246 C ASP A 16 -1.053 -19.218 92.342 1.00 0.00 C ATOM 247 O ASP A 16 -1.413 -20.077 91.560 1.00 0.00 O ATOM 248 CB ASP A 16 -1.067 -19.835 94.769 1.00 0.00 C ATOM 249 CG ASP A 16 -0.191 -20.206 95.966 1.00 0.00 C ATOM 250 OD1 ASP A 16 0.477 -19.325 96.484 1.00 0.00 O ATOM 251 OD2 ASP A 16 -0.198 -21.366 96.346 1.00 0.00 O ATOM 0 H ASP A 16 0.510 -17.953 94.755 1.00 0.00 H new ATOM 0 HA ASP A 16 0.409 -20.449 93.314 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.664 -18.953 95.000 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.764 -20.643 94.550 1.00 0.00 H new ATOM 256 N GLU A 17 -1.415 -17.969 92.186 1.00 0.00 N ATOM 257 CA GLU A 17 -2.289 -17.582 91.035 1.00 0.00 C ATOM 258 C GLU A 17 -1.475 -17.501 89.737 1.00 0.00 C ATOM 259 O GLU A 17 -1.927 -17.925 88.690 1.00 0.00 O ATOM 260 CB GLU A 17 -2.939 -16.224 91.316 1.00 0.00 C ATOM 261 CG GLU A 17 -4.227 -16.429 92.120 1.00 0.00 C ATOM 262 CD GLU A 17 -3.905 -17.147 93.431 1.00 0.00 C ATOM 263 OE1 GLU A 17 -3.508 -18.299 93.370 1.00 0.00 O ATOM 264 OE2 GLU A 17 -4.063 -16.533 94.473 1.00 0.00 O ATOM 0 H GLU A 17 -1.145 -17.203 92.803 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.060 -18.343 90.916 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.250 -15.587 91.870 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.161 -15.714 90.378 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.696 -15.467 92.326 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.941 -17.013 91.539 1.00 0.00 H new ATOM 271 N VAL A 18 -0.280 -16.977 89.781 1.00 0.00 N ATOM 272 CA VAL A 18 0.527 -16.901 88.526 1.00 0.00 C ATOM 273 C VAL A 18 0.859 -18.325 88.107 1.00 0.00 C ATOM 274 O VAL A 18 0.811 -18.681 86.947 1.00 0.00 O ATOM 275 CB VAL A 18 1.843 -16.147 88.779 1.00 0.00 C ATOM 276 CG1 VAL A 18 1.802 -14.773 88.121 1.00 0.00 C ATOM 277 CG2 VAL A 18 2.063 -15.993 90.280 1.00 0.00 C ATOM 0 H VAL A 18 0.169 -16.603 90.617 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.037 -16.376 87.755 1.00 0.00 H new ATOM 0 HB VAL A 18 2.665 -16.717 88.347 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.740 -14.251 88.309 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.660 -14.888 87.046 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.976 -14.195 88.536 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.996 -15.458 90.458 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.235 -15.432 90.713 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.115 -16.978 90.743 1.00 0.00 H new ATOM 287 N LYS A 19 1.185 -19.135 89.065 1.00 0.00 N ATOM 288 CA LYS A 19 1.522 -20.550 88.783 1.00 0.00 C ATOM 289 C LYS A 19 0.411 -21.180 87.937 1.00 0.00 C ATOM 290 O LYS A 19 0.641 -22.094 87.171 1.00 0.00 O ATOM 291 CB LYS A 19 1.653 -21.276 90.128 1.00 0.00 C ATOM 292 CG LYS A 19 2.281 -22.662 89.943 1.00 0.00 C ATOM 293 CD LYS A 19 2.983 -23.082 91.244 1.00 0.00 C ATOM 294 CE LYS A 19 4.401 -22.495 91.283 1.00 0.00 C ATOM 295 NZ LYS A 19 5.366 -23.504 90.765 1.00 0.00 N ATOM 0 H LYS A 19 1.233 -18.872 90.049 1.00 0.00 H new ATOM 0 HA LYS A 19 2.457 -20.626 88.228 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.265 -20.683 90.808 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.670 -21.376 90.589 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.513 -23.389 89.680 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.996 -22.643 89.121 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.412 -22.734 92.105 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.028 -24.169 91.309 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.448 -21.588 90.681 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.663 -22.215 92.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.058 -23.036 90.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.862 -23.951 91.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.853 -24.230 90.225 1.00 0.00 H new ATOM 309 N ASP A 20 -0.791 -20.696 88.076 1.00 0.00 N ATOM 310 CA ASP A 20 -1.932 -21.255 87.293 1.00 0.00 C ATOM 311 C ASP A 20 -1.841 -20.843 85.812 1.00 0.00 C ATOM 312 O ASP A 20 -1.995 -21.657 84.918 1.00 0.00 O ATOM 313 CB ASP A 20 -3.250 -20.736 87.874 1.00 0.00 C ATOM 314 CG ASP A 20 -4.421 -21.487 87.235 1.00 0.00 C ATOM 315 OD1 ASP A 20 -4.379 -21.698 86.033 1.00 0.00 O ATOM 316 OD2 ASP A 20 -5.339 -21.838 87.957 1.00 0.00 O ATOM 0 H ASP A 20 -1.036 -19.930 88.704 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.891 -22.342 87.357 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.262 -20.874 88.955 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.345 -19.666 87.688 1.00 0.00 H new ATOM 321 N TYR A 21 -1.621 -19.582 85.546 1.00 0.00 N ATOM 322 CA TYR A 21 -1.556 -19.112 84.127 1.00 0.00 C ATOM 323 C TYR A 21 -0.475 -19.873 83.353 1.00 0.00 C ATOM 324 O TYR A 21 -0.748 -20.483 82.338 1.00 0.00 O ATOM 325 CB TYR A 21 -1.238 -17.613 84.098 1.00 0.00 C ATOM 326 CG TYR A 21 -2.496 -16.816 84.356 1.00 0.00 C ATOM 327 CD1 TYR A 21 -3.119 -16.879 85.608 1.00 0.00 C ATOM 328 CD2 TYR A 21 -3.035 -16.008 83.346 1.00 0.00 C ATOM 329 CE1 TYR A 21 -4.282 -16.137 85.849 1.00 0.00 C ATOM 330 CE2 TYR A 21 -4.198 -15.268 83.588 1.00 0.00 C ATOM 331 CZ TYR A 21 -4.821 -15.331 84.840 1.00 0.00 C ATOM 332 OH TYR A 21 -5.965 -14.598 85.079 1.00 0.00 O ATOM 0 H TYR A 21 -1.483 -18.856 86.249 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.521 -19.298 83.656 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.486 -17.377 84.851 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.816 -17.340 83.131 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.703 -17.500 86.388 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.553 -15.956 82.381 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.763 -16.187 86.815 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.615 -14.648 82.808 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.204 -14.092 84.274 1.00 0.00 H new ATOM 342 N VAL A 22 0.749 -19.836 83.801 1.00 0.00 N ATOM 343 CA VAL A 22 1.821 -20.554 83.057 1.00 0.00 C ATOM 344 C VAL A 22 1.539 -22.057 83.090 1.00 0.00 C ATOM 345 O VAL A 22 2.133 -22.824 82.359 1.00 0.00 O ATOM 346 CB VAL A 22 3.192 -20.243 83.670 1.00 0.00 C ATOM 347 CG1 VAL A 22 3.382 -21.017 84.973 1.00 0.00 C ATOM 348 CG2 VAL A 22 4.293 -20.638 82.681 1.00 0.00 C ATOM 0 H VAL A 22 1.052 -19.345 84.642 1.00 0.00 H new ATOM 0 HA VAL A 22 1.832 -20.219 82.020 1.00 0.00 H new ATOM 0 HB VAL A 22 3.248 -19.175 83.882 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.360 -20.785 85.395 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.604 -20.733 85.682 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.318 -22.087 84.774 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.268 -20.418 83.115 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.224 -21.704 82.467 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.171 -20.073 81.757 1.00 0.00 H new ATOM 358 N ALA A 23 0.616 -22.483 83.914 1.00 0.00 N ATOM 359 CA ALA A 23 0.285 -23.931 83.963 1.00 0.00 C ATOM 360 C ALA A 23 -0.182 -24.338 82.572 1.00 0.00 C ATOM 361 O ALA A 23 -0.045 -25.471 82.154 1.00 0.00 O ATOM 362 CB ALA A 23 -0.844 -24.177 84.968 1.00 0.00 C ATOM 0 H ALA A 23 0.082 -21.891 84.550 1.00 0.00 H new ATOM 0 HA ALA A 23 1.156 -24.510 84.271 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.080 -25.241 84.997 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.528 -23.848 85.958 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.729 -23.617 84.665 1.00 0.00 H new ATOM 368 N LYS A 24 -0.714 -23.398 81.842 1.00 0.00 N ATOM 369 CA LYS A 24 -1.179 -23.689 80.464 1.00 0.00 C ATOM 370 C LYS A 24 -0.003 -24.247 79.653 1.00 0.00 C ATOM 371 O LYS A 24 0.115 -25.441 79.462 1.00 0.00 O ATOM 372 CB LYS A 24 -1.700 -22.395 79.824 1.00 0.00 C ATOM 373 CG LYS A 24 -3.192 -22.219 80.141 1.00 0.00 C ATOM 374 CD LYS A 24 -3.427 -22.345 81.652 1.00 0.00 C ATOM 375 CE LYS A 24 -4.768 -21.702 82.016 1.00 0.00 C ATOM 376 NZ LYS A 24 -5.058 -21.932 83.461 1.00 0.00 N ATOM 0 H LYS A 24 -0.846 -22.434 82.147 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.984 -24.423 80.482 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.136 -21.541 80.199 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.550 -22.427 78.745 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.534 -21.245 79.792 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.776 -22.971 79.610 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.424 -23.395 81.945 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.619 -21.859 82.198 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.739 -20.633 81.806 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.564 -22.125 81.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.887 -21.370 83.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.254 -22.941 83.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.236 -21.646 84.030 1.00 0.00 H new ATOM 390 N GLY A 25 0.871 -23.402 79.178 1.00 0.00 N ATOM 391 CA GLY A 25 2.032 -23.909 78.391 1.00 0.00 C ATOM 392 C GLY A 25 3.052 -22.793 78.143 1.00 0.00 C ATOM 393 O GLY A 25 3.015 -22.111 77.139 1.00 0.00 O ATOM 0 H GLY A 25 0.833 -22.390 79.299 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.508 -24.731 78.926 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.684 -24.308 77.438 1.00 0.00 H new ATOM 397 N GLU A 26 3.968 -22.623 79.056 1.00 0.00 N ATOM 398 CA GLU A 26 5.027 -21.574 78.915 1.00 0.00 C ATOM 399 C GLU A 26 4.485 -20.327 78.207 1.00 0.00 C ATOM 400 O GLU A 26 4.470 -20.234 76.995 1.00 0.00 O ATOM 401 CB GLU A 26 6.241 -22.128 78.153 1.00 0.00 C ATOM 402 CG GLU A 26 5.796 -23.047 77.016 1.00 0.00 C ATOM 403 CD GLU A 26 7.033 -23.545 76.266 1.00 0.00 C ATOM 404 OE1 GLU A 26 7.625 -22.754 75.550 1.00 0.00 O ATOM 405 OE2 GLU A 26 7.372 -24.707 76.425 1.00 0.00 O ATOM 0 H GLU A 26 4.031 -23.176 79.911 1.00 0.00 H new ATOM 0 HA GLU A 26 5.342 -21.286 79.918 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.830 -21.304 77.751 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.887 -22.677 78.839 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.231 -23.891 77.413 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.134 -22.511 76.336 1.00 0.00 H new ATOM 412 N ASP A 27 4.073 -19.357 78.975 1.00 0.00 N ATOM 413 CA ASP A 27 3.559 -18.080 78.402 1.00 0.00 C ATOM 414 C ASP A 27 4.014 -16.959 79.330 1.00 0.00 C ATOM 415 O ASP A 27 3.237 -16.121 79.744 1.00 0.00 O ATOM 416 CB ASP A 27 2.028 -18.102 78.348 1.00 0.00 C ATOM 417 CG ASP A 27 1.560 -19.166 77.354 1.00 0.00 C ATOM 418 OD1 ASP A 27 1.594 -18.894 76.166 1.00 0.00 O ATOM 419 OD2 ASP A 27 1.171 -20.233 77.800 1.00 0.00 O ATOM 0 H ASP A 27 4.071 -19.396 79.994 1.00 0.00 H new ATOM 0 HA ASP A 27 3.936 -17.937 77.389 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.623 -18.313 79.338 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.651 -17.123 78.051 1.00 0.00 H new ATOM 424 N VAL A 28 5.267 -16.970 79.695 1.00 0.00 N ATOM 425 CA VAL A 28 5.788 -15.945 80.640 1.00 0.00 C ATOM 426 C VAL A 28 6.510 -14.821 79.895 1.00 0.00 C ATOM 427 O VAL A 28 7.714 -14.670 79.986 1.00 0.00 O ATOM 428 CB VAL A 28 6.754 -16.630 81.602 1.00 0.00 C ATOM 429 CG1 VAL A 28 5.963 -17.574 82.511 1.00 0.00 C ATOM 430 CG2 VAL A 28 7.788 -17.437 80.804 1.00 0.00 C ATOM 0 H VAL A 28 5.956 -17.651 79.376 1.00 0.00 H new ATOM 0 HA VAL A 28 4.954 -15.500 81.183 1.00 0.00 H new ATOM 0 HB VAL A 28 7.269 -15.881 82.203 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.645 -18.069 83.203 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.225 -17.003 83.075 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.455 -18.323 81.904 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.478 -17.926 81.492 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.277 -18.191 80.205 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.344 -16.768 80.148 1.00 0.00 H new ATOM 440 N ASN A 29 5.781 -14.021 79.176 1.00 0.00 N ATOM 441 CA ASN A 29 6.405 -12.897 78.445 1.00 0.00 C ATOM 442 C ASN A 29 5.309 -12.093 77.741 1.00 0.00 C ATOM 443 O ASN A 29 5.547 -11.438 76.746 1.00 0.00 O ATOM 444 CB ASN A 29 7.405 -13.439 77.422 1.00 0.00 C ATOM 445 CG ASN A 29 6.858 -14.716 76.790 1.00 0.00 C ATOM 446 OD1 ASN A 29 7.016 -15.853 77.406 1.00 0.00 O flip ATOM 447 ND2 ASN A 29 6.286 -14.679 75.719 1.00 0.00 N flip ATOM 0 H ASN A 29 4.770 -14.101 79.064 1.00 0.00 H new ATOM 0 HA ASN A 29 6.937 -12.250 79.142 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.591 -12.692 76.651 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.360 -13.642 77.906 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.163 -13.788 75.237 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.929 -15.538 75.302 1.00 0.00 H new ATOM 454 N ARG A 30 4.107 -12.138 78.262 1.00 0.00 N ATOM 455 CA ARG A 30 2.984 -11.378 77.645 1.00 0.00 C ATOM 456 C ARG A 30 2.631 -10.190 78.539 1.00 0.00 C ATOM 457 O ARG A 30 2.490 -10.316 79.740 1.00 0.00 O ATOM 458 CB ARG A 30 1.756 -12.288 77.485 1.00 0.00 C ATOM 459 CG ARG A 30 1.819 -13.432 78.496 1.00 0.00 C ATOM 460 CD ARG A 30 0.569 -14.307 78.354 1.00 0.00 C ATOM 461 NE ARG A 30 0.402 -14.704 76.925 1.00 0.00 N ATOM 462 CZ ARG A 30 -0.451 -15.639 76.595 1.00 0.00 C ATOM 463 NH1 ARG A 30 -1.177 -16.218 77.513 1.00 0.00 N ATOM 464 NH2 ARG A 30 -0.581 -15.990 75.345 1.00 0.00 N ATOM 0 H ARG A 30 3.858 -12.673 79.094 1.00 0.00 H new ATOM 0 HA ARG A 30 3.288 -11.021 76.661 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.843 -11.711 77.633 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.719 -12.688 76.472 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.715 -14.030 78.330 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.884 -13.034 79.509 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.659 -15.194 78.981 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.311 -13.762 78.697 1.00 0.00 H new ATOM 0 HE ARG A 30 0.956 -14.244 76.202 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.080 -15.941 78.490 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.842 -16.947 77.253 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.018 -15.535 74.626 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.246 -16.719 75.086 1.00 0.00 H new ATOM 478 N THR A 31 2.489 -9.038 77.957 1.00 0.00 N ATOM 479 CA THR A 31 2.144 -7.824 78.752 1.00 0.00 C ATOM 480 C THR A 31 0.820 -8.047 79.490 1.00 0.00 C ATOM 481 O THR A 31 -0.239 -8.018 78.892 1.00 0.00 O ATOM 482 CB THR A 31 2.000 -6.624 77.808 1.00 0.00 C ATOM 483 OG1 THR A 31 1.468 -7.063 76.565 1.00 0.00 O ATOM 484 CG2 THR A 31 3.367 -5.978 77.577 1.00 0.00 C ATOM 0 H THR A 31 2.597 -8.879 76.955 1.00 0.00 H new ATOM 0 HA THR A 31 2.935 -7.632 79.477 1.00 0.00 H new ATOM 0 HB THR A 31 1.329 -5.892 78.257 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.374 -6.297 75.961 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.258 -5.126 76.906 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.775 -5.640 78.529 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.043 -6.707 77.131 1.00 0.00 H new ATOM 492 N LEU A 32 0.857 -8.265 80.779 1.00 0.00 N ATOM 493 CA LEU A 32 -0.427 -8.479 81.507 1.00 0.00 C ATOM 494 C LEU A 32 -1.220 -7.167 81.519 1.00 0.00 C ATOM 495 O LEU A 32 -2.430 -7.164 81.423 1.00 0.00 O ATOM 496 CB LEU A 32 -0.211 -9.027 82.946 1.00 0.00 C ATOM 497 CG LEU A 32 0.898 -8.302 83.751 1.00 0.00 C ATOM 498 CD1 LEU A 32 2.270 -8.459 83.084 1.00 0.00 C ATOM 499 CD2 LEU A 32 0.573 -6.815 83.933 1.00 0.00 C ATOM 0 H LEU A 32 1.702 -8.304 81.349 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.998 -9.244 80.981 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.150 -8.950 83.495 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.037 -10.087 82.884 1.00 0.00 H new ATOM 0 HG LEU A 32 0.936 -8.772 84.734 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.024 -7.938 83.675 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.525 -9.517 83.021 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.238 -8.033 82.081 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.370 -6.335 84.501 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.487 -6.339 82.956 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.369 -6.712 84.471 1.00 0.00 H new ATOM 511 N GLU A 33 -0.546 -6.051 81.597 1.00 0.00 N ATOM 512 CA GLU A 33 -1.254 -4.740 81.571 1.00 0.00 C ATOM 513 C GLU A 33 -1.436 -4.316 80.112 1.00 0.00 C ATOM 514 O GLU A 33 -2.538 -4.215 79.606 1.00 0.00 O ATOM 515 CB GLU A 33 -0.416 -3.692 82.309 1.00 0.00 C ATOM 516 CG GLU A 33 -1.135 -2.339 82.287 1.00 0.00 C ATOM 517 CD GLU A 33 -0.915 -1.656 80.934 1.00 0.00 C ATOM 518 OE1 GLU A 33 0.163 -1.807 80.382 1.00 0.00 O ATOM 519 OE2 GLU A 33 -1.829 -0.994 80.471 1.00 0.00 O ATOM 0 H GLU A 33 0.469 -5.992 81.678 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.225 -4.828 82.059 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.248 -4.008 83.339 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.564 -3.601 81.840 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.201 -2.481 82.464 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.760 -1.705 83.090 1.00 0.00 H new ATOM 526 N GLY A 34 -0.345 -4.071 79.443 1.00 0.00 N ATOM 527 CA GLY A 34 -0.389 -3.649 78.014 1.00 0.00 C ATOM 528 C GLY A 34 1.023 -3.233 77.601 1.00 0.00 C ATOM 529 O GLY A 34 1.363 -3.187 76.436 1.00 0.00 O ATOM 0 H GLY A 34 0.594 -4.147 79.834 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.745 -4.466 77.386 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.084 -2.820 77.883 1.00 0.00 H new ATOM 533 N GLY A 35 1.842 -2.946 78.571 1.00 0.00 N ATOM 534 CA GLY A 35 3.249 -2.542 78.301 1.00 0.00 C ATOM 535 C GLY A 35 4.070 -2.788 79.569 1.00 0.00 C ATOM 536 O GLY A 35 5.037 -2.107 79.842 1.00 0.00 O ATOM 0 H GLY A 35 1.591 -2.975 79.559 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.656 -3.115 77.468 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.295 -1.491 78.017 1.00 0.00 H new ATOM 540 N ARG A 36 3.668 -3.759 80.348 1.00 0.00 N ATOM 541 CA ARG A 36 4.389 -4.078 81.616 1.00 0.00 C ATOM 542 C ARG A 36 4.806 -5.560 81.596 1.00 0.00 C ATOM 543 O ARG A 36 4.207 -6.366 80.913 1.00 0.00 O ATOM 544 CB ARG A 36 3.449 -3.814 82.799 1.00 0.00 C ATOM 545 CG ARG A 36 2.798 -2.424 82.659 1.00 0.00 C ATOM 546 CD ARG A 36 3.812 -1.318 82.998 1.00 0.00 C ATOM 547 NE ARG A 36 3.243 -0.428 84.051 1.00 0.00 N ATOM 548 CZ ARG A 36 4.023 0.393 84.705 1.00 0.00 C ATOM 549 NH1 ARG A 36 5.303 0.417 84.452 1.00 0.00 N ATOM 550 NH2 ARG A 36 3.524 1.186 85.614 1.00 0.00 N ATOM 0 H ARG A 36 2.860 -4.352 80.156 1.00 0.00 H new ATOM 0 HA ARG A 36 5.279 -3.456 81.714 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.678 -4.583 82.839 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.005 -3.871 83.735 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.430 -2.289 81.642 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.936 -2.351 83.322 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.746 -1.760 83.346 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.047 -0.739 82.105 1.00 0.00 H new ATOM 0 HE ARG A 36 2.245 -0.460 84.261 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.695 -0.204 83.744 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.912 1.057 84.962 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.524 1.166 85.815 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.134 1.826 86.123 1.00 0.00 H new ATOM 564 N LYS A 37 5.834 -5.926 82.328 1.00 0.00 N ATOM 565 CA LYS A 37 6.296 -7.357 82.337 1.00 0.00 C ATOM 566 C LYS A 37 5.880 -8.021 83.663 1.00 0.00 C ATOM 567 O LYS A 37 5.692 -7.331 84.644 1.00 0.00 O ATOM 568 CB LYS A 37 7.830 -7.377 82.232 1.00 0.00 C ATOM 569 CG LYS A 37 8.264 -7.481 80.769 1.00 0.00 C ATOM 570 CD LYS A 37 7.767 -6.261 79.989 1.00 0.00 C ATOM 571 CE LYS A 37 8.135 -6.418 78.513 1.00 0.00 C ATOM 572 NZ LYS A 37 9.607 -6.262 78.349 1.00 0.00 N ATOM 0 H LYS A 37 6.375 -5.296 82.921 1.00 0.00 H new ATOM 0 HA LYS A 37 5.850 -7.896 81.501 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.243 -6.472 82.677 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.228 -8.220 82.797 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.350 -7.545 80.707 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.865 -8.394 80.326 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.687 -6.161 80.097 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.213 -5.352 80.392 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.820 -7.396 78.151 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.611 -5.673 77.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.810 -5.360 77.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.063 -6.269 79.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.978 -7.047 77.777 1.00 0.00 H new ATOM 586 N PRO A 38 5.778 -9.343 83.681 1.00 0.00 N ATOM 587 CA PRO A 38 5.412 -10.062 84.916 1.00 0.00 C ATOM 588 C PRO A 38 6.679 -10.301 85.743 1.00 0.00 C ATOM 589 O PRO A 38 6.664 -10.967 86.760 1.00 0.00 O ATOM 590 CB PRO A 38 4.890 -11.407 84.409 1.00 0.00 C ATOM 591 CG PRO A 38 5.504 -11.604 83.000 1.00 0.00 C ATOM 592 CD PRO A 38 5.959 -10.213 82.506 1.00 0.00 C ATOM 0 HA PRO A 38 4.692 -9.524 85.533 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.183 -12.216 85.078 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.801 -11.410 84.363 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.347 -12.294 83.040 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.772 -12.035 82.317 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.997 -10.227 82.175 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.360 -9.873 81.661 1.00 0.00 H new ATOM 600 N LEU A 39 7.756 -9.696 85.339 1.00 0.00 N ATOM 601 CA LEU A 39 9.026 -9.806 86.106 1.00 0.00 C ATOM 602 C LEU A 39 9.213 -8.427 86.712 1.00 0.00 C ATOM 603 O LEU A 39 10.056 -8.187 87.555 1.00 0.00 O ATOM 604 CB LEU A 39 10.191 -10.159 85.158 1.00 0.00 C ATOM 605 CG LEU A 39 11.487 -10.502 85.933 1.00 0.00 C ATOM 606 CD1 LEU A 39 11.179 -11.200 87.260 1.00 0.00 C ATOM 607 CD2 LEU A 39 12.362 -11.431 85.076 1.00 0.00 C ATOM 0 H LEU A 39 7.813 -9.121 84.498 1.00 0.00 H new ATOM 0 HA LEU A 39 9.000 -10.588 86.865 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.907 -11.007 84.534 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.380 -9.320 84.489 1.00 0.00 H new ATOM 0 HG LEU A 39 12.009 -9.569 86.146 1.00 0.00 H new ATOM 0 HD11 LEU A 39 12.111 -11.426 87.777 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.568 -10.546 87.882 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.638 -12.126 87.067 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.275 -11.674 85.619 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.814 -12.348 84.858 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.618 -10.931 84.142 1.00 0.00 H new ATOM 619 N HIS A 40 8.376 -7.526 86.265 1.00 0.00 N ATOM 620 CA HIS A 40 8.395 -6.128 86.754 1.00 0.00 C ATOM 621 C HIS A 40 7.766 -6.096 88.149 1.00 0.00 C ATOM 622 O HIS A 40 8.387 -5.695 89.112 1.00 0.00 O ATOM 623 CB HIS A 40 7.555 -5.281 85.790 1.00 0.00 C ATOM 624 CG HIS A 40 7.925 -3.833 85.916 1.00 0.00 C ATOM 625 ND1 HIS A 40 7.489 -3.050 86.971 1.00 0.00 N ATOM 626 CD2 HIS A 40 8.684 -3.010 85.124 1.00 0.00 C ATOM 627 CE1 HIS A 40 7.981 -1.812 86.786 1.00 0.00 C ATOM 628 NE2 HIS A 40 8.718 -1.733 85.675 1.00 0.00 N ATOM 0 H HIS A 40 7.662 -7.714 85.561 1.00 0.00 H new ATOM 0 HA HIS A 40 9.412 -5.740 86.803 1.00 0.00 H new ATOM 0 HB2 HIS A 40 7.715 -5.617 84.765 1.00 0.00 H new ATOM 0 HB3 HIS A 40 6.495 -5.413 86.007 1.00 0.00 H new ATOM 0 HD2 HIS A 40 9.180 -3.308 84.212 1.00 0.00 H new ATOM 0 HE1 HIS A 40 7.802 -0.983 87.454 1.00 0.00 H new ATOM 0 HE2 HIS A 40 9.202 -0.913 85.309 1.00 0.00 H new ATOM 636 N TYR A 41 6.538 -6.532 88.266 1.00 0.00 N ATOM 637 CA TYR A 41 5.878 -6.539 89.601 1.00 0.00 C ATOM 638 C TYR A 41 6.555 -7.583 90.475 1.00 0.00 C ATOM 639 O TYR A 41 6.724 -7.405 91.664 1.00 0.00 O ATOM 640 CB TYR A 41 4.406 -6.921 89.465 1.00 0.00 C ATOM 641 CG TYR A 41 3.804 -6.225 88.279 1.00 0.00 C ATOM 642 CD1 TYR A 41 3.988 -6.740 86.991 1.00 0.00 C ATOM 643 CD2 TYR A 41 3.045 -5.072 88.473 1.00 0.00 C ATOM 644 CE1 TYR A 41 3.410 -6.093 85.894 1.00 0.00 C ATOM 645 CE2 TYR A 41 2.471 -4.423 87.382 1.00 0.00 C ATOM 646 CZ TYR A 41 2.650 -4.932 86.090 1.00 0.00 C ATOM 647 OH TYR A 41 2.074 -4.293 85.013 1.00 0.00 O ATOM 0 H TYR A 41 5.967 -6.882 87.496 1.00 0.00 H new ATOM 0 HA TYR A 41 5.959 -5.544 90.039 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.311 -8.001 89.351 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.865 -6.647 90.371 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.575 -7.635 86.844 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.902 -4.682 89.470 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.549 -6.487 84.898 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.888 -3.527 87.533 1.00 0.00 H new ATOM 0 HH TYR A 41 1.581 -3.506 85.325 1.00 0.00 H new ATOM 657 N ALA A 42 6.938 -8.680 89.892 1.00 0.00 N ATOM 658 CA ALA A 42 7.596 -9.743 90.685 1.00 0.00 C ATOM 659 C ALA A 42 8.917 -9.196 91.192 1.00 0.00 C ATOM 660 O ALA A 42 9.178 -9.149 92.375 1.00 0.00 O ATOM 661 CB ALA A 42 7.855 -10.960 89.792 1.00 0.00 C ATOM 0 H ALA A 42 6.823 -8.885 88.899 1.00 0.00 H new ATOM 0 HA ALA A 42 6.963 -10.045 91.519 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.339 -11.743 90.375 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.908 -11.332 89.401 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.502 -10.672 88.963 1.00 0.00 H new ATOM 667 N ALA A 43 9.745 -8.753 90.299 1.00 0.00 N ATOM 668 CA ALA A 43 11.042 -8.188 90.732 1.00 0.00 C ATOM 669 C ALA A 43 10.769 -7.100 91.769 1.00 0.00 C ATOM 670 O ALA A 43 11.152 -7.196 92.918 1.00 0.00 O ATOM 671 CB ALA A 43 11.735 -7.553 89.524 1.00 0.00 C ATOM 0 H ALA A 43 9.581 -8.757 89.292 1.00 0.00 H new ATOM 0 HA ALA A 43 11.674 -8.969 91.155 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.692 -7.133 89.833 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.901 -8.312 88.759 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.106 -6.761 89.118 1.00 0.00 H new ATOM 677 N ASP A 44 10.114 -6.058 91.346 1.00 0.00 N ATOM 678 CA ASP A 44 9.806 -4.916 92.251 1.00 0.00 C ATOM 679 C ASP A 44 8.981 -5.357 93.467 1.00 0.00 C ATOM 680 O ASP A 44 8.996 -4.708 94.494 1.00 0.00 O ATOM 681 CB ASP A 44 9.018 -3.874 91.457 1.00 0.00 C ATOM 682 CG ASP A 44 8.554 -2.756 92.390 1.00 0.00 C ATOM 683 OD1 ASP A 44 7.779 -3.044 93.288 1.00 0.00 O ATOM 684 OD2 ASP A 44 8.978 -1.631 92.189 1.00 0.00 O ATOM 0 H ASP A 44 9.772 -5.947 90.392 1.00 0.00 H new ATOM 0 HA ASP A 44 10.744 -4.503 92.622 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.640 -3.462 90.662 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.158 -4.342 90.979 1.00 0.00 H new ATOM 689 N CYS A 45 8.248 -6.430 93.372 1.00 0.00 N ATOM 690 CA CYS A 45 7.421 -6.853 94.541 1.00 0.00 C ATOM 691 C CYS A 45 6.905 -8.273 94.322 1.00 0.00 C ATOM 692 O CYS A 45 5.719 -8.497 94.181 1.00 0.00 O ATOM 693 CB CYS A 45 6.227 -5.905 94.682 1.00 0.00 C ATOM 694 SG CYS A 45 5.813 -5.214 93.062 1.00 0.00 S ATOM 0 H CYS A 45 8.184 -7.027 92.548 1.00 0.00 H new ATOM 0 HA CYS A 45 8.031 -6.823 95.444 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.370 -6.440 95.091 1.00 0.00 H new ATOM 0 HB3 CYS A 45 6.466 -5.104 95.381 1.00 0.00 H new ATOM 0 HG CYS A 45 6.311 -5.969 92.128 1.00 0.00 H new ATOM 700 N GLY A 46 7.781 -9.231 94.284 1.00 0.00 N ATOM 701 CA GLY A 46 7.335 -10.638 94.063 1.00 0.00 C ATOM 702 C GLY A 46 7.630 -11.487 95.294 1.00 0.00 C ATOM 703 O GLY A 46 7.831 -12.679 95.187 1.00 0.00 O ATOM 0 H GLY A 46 8.787 -9.106 94.396 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.267 -10.658 93.847 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.844 -11.056 93.194 1.00 0.00 H new ATOM 707 N GLN A 47 7.698 -10.899 96.458 1.00 0.00 N ATOM 708 CA GLN A 47 8.031 -11.718 97.653 1.00 0.00 C ATOM 709 C GLN A 47 9.318 -12.470 97.314 1.00 0.00 C ATOM 710 O GLN A 47 9.717 -13.415 97.966 1.00 0.00 O ATOM 711 CB GLN A 47 6.881 -12.680 97.961 1.00 0.00 C ATOM 712 CG GLN A 47 5.737 -11.887 98.595 1.00 0.00 C ATOM 713 CD GLN A 47 5.326 -10.751 97.658 1.00 0.00 C ATOM 714 OE1 GLN A 47 5.133 -10.960 96.477 1.00 0.00 O ATOM 715 NE2 GLN A 47 5.181 -9.547 98.137 1.00 0.00 N ATOM 0 H GLN A 47 7.540 -9.906 96.630 1.00 0.00 H new ATOM 0 HA GLN A 47 8.175 -11.104 98.542 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.542 -13.169 97.048 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.216 -13.466 98.637 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.887 -12.542 98.785 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.050 -11.484 99.558 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.343 -9.370 99.128 1.00 0.00 H new ATOM 0 HE22 GLN A 47 4.906 -8.783 97.520 1.00 0.00 H new ATOM 724 N LEU A 48 9.965 -11.998 96.281 1.00 0.00 N ATOM 725 CA LEU A 48 11.255 -12.574 95.810 1.00 0.00 C ATOM 726 C LEU A 48 11.097 -14.037 95.390 1.00 0.00 C ATOM 727 O LEU A 48 12.041 -14.675 94.967 1.00 0.00 O ATOM 728 CB LEU A 48 12.295 -12.443 96.920 1.00 0.00 C ATOM 729 CG LEU A 48 12.842 -10.993 97.005 1.00 0.00 C ATOM 730 CD1 LEU A 48 12.074 -10.027 96.092 1.00 0.00 C ATOM 731 CD2 LEU A 48 12.732 -10.481 98.447 1.00 0.00 C ATOM 0 H LEU A 48 9.637 -11.207 95.726 1.00 0.00 H new ATOM 0 HA LEU A 48 11.585 -12.021 94.930 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.850 -12.724 97.875 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.117 -13.135 96.736 1.00 0.00 H new ATOM 0 HG LEU A 48 13.881 -11.025 96.678 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.494 -9.026 96.187 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.158 -10.360 95.057 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.024 -10.009 96.383 1.00 0.00 H new ATOM 0 HD21 LEU A 48 13.117 -9.463 98.502 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.687 -10.491 98.758 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.313 -11.125 99.107 1.00 0.00 H new ATOM 743 N GLU A 49 9.919 -14.560 95.479 1.00 0.00 N ATOM 744 CA GLU A 49 9.688 -15.968 95.049 1.00 0.00 C ATOM 745 C GLU A 49 9.109 -15.956 93.637 1.00 0.00 C ATOM 746 O GLU A 49 9.413 -16.795 92.814 1.00 0.00 O ATOM 747 CB GLU A 49 8.696 -16.650 95.995 1.00 0.00 C ATOM 748 CG GLU A 49 7.621 -15.645 96.405 1.00 0.00 C ATOM 749 CD GLU A 49 6.564 -16.343 97.264 1.00 0.00 C ATOM 750 OE1 GLU A 49 6.929 -16.883 98.295 1.00 0.00 O ATOM 751 OE2 GLU A 49 5.408 -16.322 96.876 1.00 0.00 O ATOM 0 H GLU A 49 9.094 -14.075 95.833 1.00 0.00 H new ATOM 0 HA GLU A 49 10.630 -16.516 95.069 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.239 -17.509 95.504 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.215 -17.025 96.877 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.071 -14.823 96.962 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.156 -15.213 95.519 1.00 0.00 H new ATOM 758 N ILE A 50 8.253 -15.011 93.371 1.00 0.00 N ATOM 759 CA ILE A 50 7.609 -14.926 92.035 1.00 0.00 C ATOM 760 C ILE A 50 8.642 -14.655 90.944 1.00 0.00 C ATOM 761 O ILE A 50 8.628 -15.292 89.911 1.00 0.00 O ATOM 762 CB ILE A 50 6.573 -13.796 92.048 1.00 0.00 C ATOM 763 CG1 ILE A 50 5.621 -13.987 93.260 1.00 0.00 C ATOM 764 CG2 ILE A 50 5.800 -13.798 90.719 1.00 0.00 C ATOM 765 CD1 ILE A 50 4.146 -13.869 92.852 1.00 0.00 C ATOM 0 H ILE A 50 7.970 -14.286 94.031 1.00 0.00 H new ATOM 0 HA ILE A 50 7.126 -15.879 91.820 1.00 0.00 H new ATOM 0 HB ILE A 50 7.067 -12.830 92.152 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.797 -14.964 93.709 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.848 -13.241 94.021 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.063 -12.995 90.726 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.495 -13.645 89.894 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.293 -14.755 90.594 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.514 -14.009 93.729 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.964 -12.882 92.427 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.912 -14.632 92.110 1.00 0.00 H new ATOM 777 N LEU A 51 9.517 -13.706 91.129 1.00 0.00 N ATOM 778 CA LEU A 51 10.492 -13.417 90.044 1.00 0.00 C ATOM 779 C LEU A 51 11.174 -14.715 89.586 1.00 0.00 C ATOM 780 O LEU A 51 11.175 -15.033 88.416 1.00 0.00 O ATOM 781 CB LEU A 51 11.565 -12.368 90.437 1.00 0.00 C ATOM 782 CG LEU A 51 11.736 -12.160 91.951 1.00 0.00 C ATOM 783 CD1 LEU A 51 10.444 -11.660 92.607 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.203 -13.456 92.604 1.00 0.00 C ATOM 0 H LEU A 51 9.599 -13.129 91.966 1.00 0.00 H new ATOM 0 HA LEU A 51 9.918 -12.983 89.225 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.523 -12.673 90.015 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.305 -11.413 89.980 1.00 0.00 H new ATOM 0 HG LEU A 51 12.493 -11.390 92.101 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.607 -11.526 93.676 1.00 0.00 H new ATOM 0 HD12 LEU A 51 10.155 -10.708 92.162 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.650 -12.390 92.450 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.322 -13.301 93.676 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.464 -14.238 92.430 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.158 -13.757 92.173 1.00 0.00 H new ATOM 796 N GLU A 52 11.766 -15.464 90.478 1.00 0.00 N ATOM 797 CA GLU A 52 12.449 -16.719 90.042 1.00 0.00 C ATOM 798 C GLU A 52 11.473 -17.633 89.284 1.00 0.00 C ATOM 799 O GLU A 52 11.865 -18.382 88.412 1.00 0.00 O ATOM 800 CB GLU A 52 12.982 -17.501 91.253 1.00 0.00 C ATOM 801 CG GLU A 52 13.625 -16.569 92.284 1.00 0.00 C ATOM 802 CD GLU A 52 14.342 -17.421 93.336 1.00 0.00 C ATOM 803 OE1 GLU A 52 15.321 -18.061 92.986 1.00 0.00 O ATOM 804 OE2 GLU A 52 13.902 -17.418 94.473 1.00 0.00 O ATOM 0 H GLU A 52 11.807 -15.266 91.478 1.00 0.00 H new ATOM 0 HA GLU A 52 13.274 -16.427 89.392 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.166 -18.053 91.719 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.714 -18.236 90.919 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.331 -15.897 91.797 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.865 -15.946 92.756 1.00 0.00 H new ATOM 811 N PHE A 53 10.217 -17.615 89.643 1.00 0.00 N ATOM 812 CA PHE A 53 9.224 -18.522 88.993 1.00 0.00 C ATOM 813 C PHE A 53 9.094 -18.266 87.487 1.00 0.00 C ATOM 814 O PHE A 53 9.689 -18.947 86.680 1.00 0.00 O ATOM 815 CB PHE A 53 7.859 -18.317 89.646 1.00 0.00 C ATOM 816 CG PHE A 53 6.858 -19.262 89.027 1.00 0.00 C ATOM 817 CD1 PHE A 53 7.019 -20.645 89.173 1.00 0.00 C ATOM 818 CD2 PHE A 53 5.769 -18.758 88.310 1.00 0.00 C ATOM 819 CE1 PHE A 53 6.090 -21.524 88.602 1.00 0.00 C ATOM 820 CE2 PHE A 53 4.840 -19.635 87.739 1.00 0.00 C ATOM 821 CZ PHE A 53 5.001 -21.019 87.885 1.00 0.00 C ATOM 0 H PHE A 53 9.832 -17.006 90.365 1.00 0.00 H new ATOM 0 HA PHE A 53 9.577 -19.544 89.127 1.00 0.00 H new ATOM 0 HB2 PHE A 53 7.927 -18.494 90.719 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.532 -17.286 89.514 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.861 -21.035 89.727 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.645 -17.691 88.197 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.215 -22.591 88.715 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.999 -19.245 87.186 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.284 -21.696 87.444 1.00 0.00 H new ATOM 831 N LEU A 54 8.273 -17.330 87.103 1.00 0.00 N ATOM 832 CA LEU A 54 8.054 -17.073 85.650 1.00 0.00 C ATOM 833 C LEU A 54 9.378 -16.841 84.919 1.00 0.00 C ATOM 834 O LEU A 54 9.420 -16.760 83.708 1.00 0.00 O ATOM 835 CB LEU A 54 7.107 -15.875 85.475 1.00 0.00 C ATOM 836 CG LEU A 54 7.785 -14.535 85.818 1.00 0.00 C ATOM 837 CD1 LEU A 54 8.590 -14.655 87.106 1.00 0.00 C ATOM 838 CD2 LEU A 54 8.701 -14.082 84.671 1.00 0.00 C ATOM 0 H LEU A 54 7.742 -16.729 87.733 1.00 0.00 H new ATOM 0 HA LEU A 54 7.594 -17.955 85.205 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.750 -15.845 84.446 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.233 -16.010 86.112 1.00 0.00 H new ATOM 0 HG LEU A 54 7.003 -13.789 85.960 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.061 -13.698 87.331 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.927 -14.935 87.925 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.359 -15.418 86.985 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.170 -13.134 84.933 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.472 -14.834 84.502 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.112 -13.956 83.763 1.00 0.00 H new ATOM 850 N LEU A 55 10.461 -16.756 85.633 1.00 0.00 N ATOM 851 CA LEU A 55 11.774 -16.548 84.964 1.00 0.00 C ATOM 852 C LEU A 55 12.382 -17.914 84.620 1.00 0.00 C ATOM 853 O LEU A 55 12.936 -18.109 83.556 1.00 0.00 O ATOM 854 CB LEU A 55 12.703 -15.778 85.911 1.00 0.00 C ATOM 855 CG LEU A 55 13.735 -14.966 85.125 1.00 0.00 C ATOM 856 CD1 LEU A 55 14.512 -14.081 86.099 1.00 0.00 C ATOM 857 CD2 LEU A 55 14.710 -15.905 84.414 1.00 0.00 C ATOM 0 H LEU A 55 10.496 -16.821 86.650 1.00 0.00 H new ATOM 0 HA LEU A 55 11.644 -15.973 84.047 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.114 -15.112 86.542 1.00 0.00 H new ATOM 0 HB3 LEU A 55 13.213 -16.477 86.574 1.00 0.00 H new ATOM 0 HG LEU A 55 13.224 -14.353 84.382 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.251 -13.497 85.550 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.823 -13.407 86.608 1.00 0.00 H new ATOM 0 HD13 LEU A 55 15.018 -14.706 86.835 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.440 -15.318 83.857 1.00 0.00 H new ATOM 0 HD22 LEU A 55 15.225 -16.521 85.151 1.00 0.00 H new ATOM 0 HD23 LEU A 55 14.160 -16.547 83.726 1.00 0.00 H new ATOM 869 N LEU A 56 12.284 -18.865 85.514 1.00 0.00 N ATOM 870 CA LEU A 56 12.863 -20.211 85.230 1.00 0.00 C ATOM 871 C LEU A 56 12.100 -20.887 84.087 1.00 0.00 C ATOM 872 O LEU A 56 12.675 -21.618 83.305 1.00 0.00 O ATOM 873 CB LEU A 56 12.884 -21.082 86.500 1.00 0.00 C ATOM 874 CG LEU A 56 11.480 -21.587 86.865 1.00 0.00 C ATOM 875 CD1 LEU A 56 11.289 -23.016 86.347 1.00 0.00 C ATOM 876 CD2 LEU A 56 11.328 -21.594 88.392 1.00 0.00 C ATOM 0 H LEU A 56 11.831 -18.768 86.423 1.00 0.00 H new ATOM 0 HA LEU A 56 13.898 -20.086 84.911 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.548 -21.932 86.347 1.00 0.00 H new ATOM 0 HB3 LEU A 56 13.291 -20.505 87.331 1.00 0.00 H new ATOM 0 HG LEU A 56 10.736 -20.931 86.413 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.291 -23.368 86.609 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.405 -23.029 85.263 1.00 0.00 H new ATOM 0 HD13 LEU A 56 12.035 -23.670 86.799 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.333 -21.952 88.657 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.079 -22.252 88.829 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.464 -20.583 88.776 1.00 0.00 H new ATOM 888 N LYS A 57 10.829 -20.624 83.944 1.00 0.00 N ATOM 889 CA LYS A 57 10.089 -21.232 82.802 1.00 0.00 C ATOM 890 C LYS A 57 10.688 -20.613 81.537 1.00 0.00 C ATOM 891 O LYS A 57 11.613 -21.141 80.952 1.00 0.00 O ATOM 892 CB LYS A 57 8.583 -20.909 82.899 1.00 0.00 C ATOM 893 CG LYS A 57 7.768 -22.204 83.047 1.00 0.00 C ATOM 894 CD LYS A 57 7.786 -22.666 84.507 1.00 0.00 C ATOM 895 CE LYS A 57 7.162 -24.061 84.613 1.00 0.00 C ATOM 896 NZ LYS A 57 6.722 -24.306 86.017 1.00 0.00 N ATOM 0 H LYS A 57 10.278 -20.024 84.558 1.00 0.00 H new ATOM 0 HA LYS A 57 10.182 -22.318 82.799 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.398 -20.256 83.752 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.262 -20.369 82.008 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.741 -22.037 82.722 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.183 -22.981 82.405 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.810 -22.685 84.880 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.234 -21.961 85.129 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.312 -24.143 83.935 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.885 -24.818 84.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.299 -25.253 86.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.542 -24.245 86.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.018 -23.591 86.290 1.00 0.00 H new ATOM 910 N GLY A 58 10.211 -19.461 81.154 1.00 0.00 N ATOM 911 CA GLY A 58 10.791 -18.762 79.979 1.00 0.00 C ATOM 912 C GLY A 58 11.870 -17.823 80.520 1.00 0.00 C ATOM 913 O GLY A 58 12.781 -18.257 81.197 1.00 0.00 O ATOM 0 H GLY A 58 9.440 -18.973 81.609 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.216 -19.476 79.274 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.024 -18.203 79.443 1.00 0.00 H new ATOM 917 N ALA A 59 11.769 -16.543 80.273 1.00 0.00 N ATOM 918 CA ALA A 59 12.791 -15.607 80.831 1.00 0.00 C ATOM 919 C ALA A 59 12.600 -14.195 80.275 1.00 0.00 C ATOM 920 O ALA A 59 13.306 -13.761 79.387 1.00 0.00 O ATOM 921 CB ALA A 59 14.204 -16.107 80.511 1.00 0.00 C ATOM 0 H ALA A 59 11.033 -16.109 79.716 1.00 0.00 H new ATOM 0 HA ALA A 59 12.662 -15.573 81.913 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.937 -15.414 80.924 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.349 -17.094 80.951 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.332 -16.169 79.430 1.00 0.00 H new ATOM 927 N ASP A 60 11.676 -13.457 80.829 1.00 0.00 N ATOM 928 CA ASP A 60 11.474 -12.056 80.378 1.00 0.00 C ATOM 929 C ASP A 60 12.631 -11.245 80.955 1.00 0.00 C ATOM 930 O ASP A 60 12.725 -10.042 80.806 1.00 0.00 O ATOM 931 CB ASP A 60 10.136 -11.537 80.914 1.00 0.00 C ATOM 932 CG ASP A 60 10.075 -10.015 80.780 1.00 0.00 C ATOM 933 OD1 ASP A 60 9.790 -9.546 79.691 1.00 0.00 O ATOM 934 OD2 ASP A 60 10.317 -9.345 81.772 1.00 0.00 O ATOM 0 H ASP A 60 11.053 -13.767 81.575 1.00 0.00 H new ATOM 0 HA ASP A 60 11.452 -11.979 79.291 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.313 -11.992 80.363 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.017 -11.824 81.959 1.00 0.00 H new ATOM 939 N ILE A 61 13.509 -11.938 81.623 1.00 0.00 N ATOM 940 CA ILE A 61 14.697 -11.309 82.258 1.00 0.00 C ATOM 941 C ILE A 61 15.407 -10.392 81.266 1.00 0.00 C ATOM 942 O ILE A 61 16.137 -9.497 81.644 1.00 0.00 O ATOM 943 CB ILE A 61 15.654 -12.434 82.662 1.00 0.00 C ATOM 944 CG1 ILE A 61 16.756 -11.892 83.572 1.00 0.00 C ATOM 945 CG2 ILE A 61 16.283 -13.033 81.398 1.00 0.00 C ATOM 946 CD1 ILE A 61 17.900 -12.909 83.670 1.00 0.00 C ATOM 0 H ILE A 61 13.449 -12.947 81.758 1.00 0.00 H new ATOM 0 HA ILE A 61 14.388 -10.718 83.121 1.00 0.00 H new ATOM 0 HB ILE A 61 15.099 -13.201 83.202 1.00 0.00 H new ATOM 0 HG12 ILE A 61 17.131 -10.947 83.180 1.00 0.00 H new ATOM 0 HG13 ILE A 61 16.353 -11.688 84.564 1.00 0.00 H new ATOM 0 HG21 ILE A 61 16.966 -13.835 81.677 1.00 0.00 H new ATOM 0 HG22 ILE A 61 15.498 -13.432 80.755 1.00 0.00 H new ATOM 0 HG23 ILE A 61 16.832 -12.258 80.863 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.682 -12.516 84.320 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.521 -13.844 84.083 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.311 -13.091 82.677 1.00 0.00 H new ATOM 958 N ASN A 62 15.220 -10.629 80.001 1.00 0.00 N ATOM 959 CA ASN A 62 15.913 -9.799 78.975 1.00 0.00 C ATOM 960 C ASN A 62 14.960 -9.458 77.818 1.00 0.00 C ATOM 961 O ASN A 62 15.116 -8.457 77.152 1.00 0.00 O ATOM 962 CB ASN A 62 17.115 -10.589 78.444 1.00 0.00 C ATOM 963 CG ASN A 62 16.674 -12.015 78.094 1.00 0.00 C ATOM 964 OD1 ASN A 62 15.429 -12.365 78.277 1.00 0.00 O flip ATOM 965 ND2 ASN A 62 17.472 -12.815 77.646 1.00 0.00 N flip ATOM 0 H ASN A 62 14.616 -11.363 79.630 1.00 0.00 H new ATOM 0 HA ASN A 62 16.244 -8.864 79.427 1.00 0.00 H new ATOM 0 HB2 ASN A 62 17.526 -10.097 77.562 1.00 0.00 H new ATOM 0 HB3 ASN A 62 17.906 -10.615 79.193 1.00 0.00 H new ATOM 0 HD21 ASN A 62 18.444 -12.541 77.503 1.00 0.00 H new ATOM 0 HD22 ASN A 62 17.170 -13.761 77.413 1.00 0.00 H new ATOM 972 N ALA A 63 13.976 -10.287 77.591 1.00 0.00 N ATOM 973 CA ALA A 63 12.973 -10.064 76.489 1.00 0.00 C ATOM 974 C ALA A 63 12.852 -8.587 76.048 1.00 0.00 C ATOM 975 O ALA A 63 13.015 -8.301 74.878 1.00 0.00 O ATOM 976 CB ALA A 63 11.605 -10.567 76.949 1.00 0.00 C ATOM 0 H ALA A 63 13.815 -11.135 78.135 1.00 0.00 H new ATOM 0 HA ALA A 63 13.330 -10.619 75.622 1.00 0.00 H new ATOM 0 HB1 ALA A 63 10.874 -10.409 76.156 1.00 0.00 H new ATOM 0 HB2 ALA A 63 11.667 -11.631 77.179 1.00 0.00 H new ATOM 0 HB3 ALA A 63 11.297 -10.021 77.841 1.00 0.00 H new ATOM 982 N PRO A 64 12.576 -7.690 76.972 1.00 0.00 N ATOM 983 CA PRO A 64 12.414 -6.251 76.692 1.00 0.00 C ATOM 984 C PRO A 64 13.036 -5.793 75.365 1.00 0.00 C ATOM 985 O PRO A 64 14.115 -6.200 74.975 1.00 0.00 O ATOM 986 CB PRO A 64 13.082 -5.628 77.915 1.00 0.00 C ATOM 987 CG PRO A 64 12.906 -6.670 79.062 1.00 0.00 C ATOM 988 CD PRO A 64 12.414 -7.979 78.403 1.00 0.00 C ATOM 0 HA PRO A 64 11.374 -5.957 76.554 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.136 -5.427 77.726 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.617 -4.677 78.174 1.00 0.00 H new ATOM 0 HG2 PRO A 64 13.848 -6.831 79.586 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.187 -6.315 79.800 1.00 0.00 H new ATOM 0 HD2 PRO A 64 13.008 -8.839 78.714 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.377 -8.198 78.659 1.00 0.00 H new ATOM 996 N ASP A 65 12.314 -4.936 74.679 1.00 0.00 N ATOM 997 CA ASP A 65 12.765 -4.391 73.367 1.00 0.00 C ATOM 998 C ASP A 65 12.351 -2.914 73.279 1.00 0.00 C ATOM 999 O ASP A 65 13.152 -2.051 72.985 1.00 0.00 O ATOM 1000 CB ASP A 65 12.095 -5.179 72.238 1.00 0.00 C ATOM 1001 CG ASP A 65 12.787 -6.535 72.081 1.00 0.00 C ATOM 1002 OD1 ASP A 65 14.002 -6.572 72.154 1.00 0.00 O ATOM 1003 OD2 ASP A 65 12.082 -7.516 71.893 1.00 0.00 O ATOM 0 H ASP A 65 11.407 -4.586 74.987 1.00 0.00 H new ATOM 0 HA ASP A 65 13.848 -4.478 73.275 1.00 0.00 H new ATOM 0 HB2 ASP A 65 11.037 -5.322 72.458 1.00 0.00 H new ATOM 0 HB3 ASP A 65 12.153 -4.619 71.305 1.00 0.00 H new ATOM 1008 N LYS A 66 11.101 -2.620 73.548 1.00 0.00 N ATOM 1009 CA LYS A 66 10.623 -1.213 73.502 1.00 0.00 C ATOM 1010 C LYS A 66 10.825 -0.577 74.880 1.00 0.00 C ATOM 1011 O LYS A 66 10.937 0.625 75.020 1.00 0.00 O ATOM 1012 CB LYS A 66 9.142 -1.210 73.145 1.00 0.00 C ATOM 1013 CG LYS A 66 8.738 0.187 72.686 1.00 0.00 C ATOM 1014 CD LYS A 66 8.940 0.326 71.175 1.00 0.00 C ATOM 1015 CE LYS A 66 8.318 1.640 70.693 1.00 0.00 C ATOM 1016 NZ LYS A 66 9.092 2.788 71.242 1.00 0.00 N ATOM 0 H LYS A 66 10.389 -3.306 73.799 1.00 0.00 H new ATOM 0 HA LYS A 66 11.179 -0.646 72.755 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.945 -1.936 72.356 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.547 -1.508 74.008 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.694 0.373 72.939 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.332 0.936 73.210 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.003 0.306 70.937 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.482 -0.517 70.657 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.317 1.676 69.604 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.278 1.702 71.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.768 3.670 70.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.946 2.845 72.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.104 2.651 71.043 1.00 0.00 H new ATOM 1030 N HIS A 67 10.884 -1.395 75.892 1.00 0.00 N ATOM 1031 CA HIS A 67 11.088 -0.895 77.275 1.00 0.00 C ATOM 1032 C HIS A 67 12.570 -0.603 77.476 1.00 0.00 C ATOM 1033 O HIS A 67 12.985 -0.106 78.503 1.00 0.00 O ATOM 1034 CB HIS A 67 10.637 -1.984 78.243 1.00 0.00 C ATOM 1035 CG HIS A 67 9.340 -2.567 77.757 1.00 0.00 C ATOM 1036 ND1 HIS A 67 9.049 -3.400 76.706 1.00 0.00 N flip ATOM 1037 CD2 HIS A 67 8.130 -2.296 78.374 1.00 0.00 C flip ATOM 1038 CE1 HIS A 67 7.680 -3.644 76.667 1.00 0.00 C flip ATOM 1039 NE2 HIS A 67 7.173 -2.956 77.694 1.00 0.00 N flip ATOM 0 H HIS A 67 10.798 -2.408 75.815 1.00 0.00 H new ATOM 0 HA HIS A 67 10.516 0.016 77.450 1.00 0.00 H new ATOM 0 HB2 HIS A 67 11.396 -2.763 78.313 1.00 0.00 H new ATOM 0 HB3 HIS A 67 10.512 -1.570 79.243 1.00 0.00 H new ATOM 0 HD2 HIS A 67 7.981 -1.670 79.241 1.00 0.00 H new ATOM 0 HE1 HIS A 67 7.143 -4.257 75.959 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.182 -2.933 77.934 1.00 0.00 H new ATOM 1047 N HIS A 68 13.360 -0.902 76.487 1.00 0.00 N ATOM 1048 CA HIS A 68 14.823 -0.650 76.575 1.00 0.00 C ATOM 1049 C HIS A 68 15.341 -0.939 77.981 1.00 0.00 C ATOM 1050 O HIS A 68 16.321 -0.364 78.413 1.00 0.00 O ATOM 1051 CB HIS A 68 15.105 0.811 76.223 1.00 0.00 C ATOM 1052 CG HIS A 68 14.554 1.102 74.856 1.00 0.00 C ATOM 1053 ND1 HIS A 68 13.228 1.451 74.653 1.00 0.00 N ATOM 1054 CD2 HIS A 68 15.133 1.090 73.611 1.00 0.00 C ATOM 1055 CE1 HIS A 68 13.054 1.633 73.332 1.00 0.00 C ATOM 1056 NE2 HIS A 68 14.184 1.426 72.650 1.00 0.00 N ATOM 0 H HIS A 68 13.050 -1.316 75.608 1.00 0.00 H new ATOM 0 HA HIS A 68 15.333 -1.311 75.874 1.00 0.00 H new ATOM 0 HB2 HIS A 68 14.648 1.471 76.961 1.00 0.00 H new ATOM 0 HB3 HIS A 68 16.178 1.003 76.245 1.00 0.00 H new ATOM 0 HD1 HIS A 68 12.514 1.552 75.374 1.00 0.00 H new ATOM 0 HD2 HIS A 68 16.168 0.855 73.408 1.00 0.00 H new ATOM 0 HE1 HIS A 68 12.115 1.913 72.878 1.00 0.00 H new ATOM 1064 N ILE A 69 14.724 -1.833 78.705 1.00 0.00 N ATOM 1065 CA ILE A 69 15.249 -2.122 80.063 1.00 0.00 C ATOM 1066 C ILE A 69 14.860 -3.516 80.524 1.00 0.00 C ATOM 1067 O ILE A 69 13.848 -4.076 80.147 1.00 0.00 O ATOM 1068 CB ILE A 69 14.744 -1.080 81.071 1.00 0.00 C ATOM 1069 CG1 ILE A 69 15.944 -0.449 81.778 1.00 0.00 C ATOM 1070 CG2 ILE A 69 13.817 -1.733 82.115 1.00 0.00 C ATOM 1071 CD1 ILE A 69 16.734 -1.518 82.545 1.00 0.00 C ATOM 0 H ILE A 69 13.900 -2.363 78.422 1.00 0.00 H new ATOM 0 HA ILE A 69 16.337 -2.071 80.011 1.00 0.00 H new ATOM 0 HB ILE A 69 14.177 -0.317 80.537 1.00 0.00 H new ATOM 0 HG12 ILE A 69 16.591 0.036 81.047 1.00 0.00 H new ATOM 0 HG13 ILE A 69 15.604 0.325 82.466 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.471 -0.976 82.819 1.00 0.00 H new ATOM 0 HG22 ILE A 69 12.959 -2.179 81.612 1.00 0.00 H new ATOM 0 HG23 ILE A 69 14.364 -2.507 82.654 1.00 0.00 H new ATOM 0 HD11 ILE A 69 17.585 -1.054 83.043 1.00 0.00 H new ATOM 0 HD12 ILE A 69 16.088 -1.984 83.289 1.00 0.00 H new ATOM 0 HD13 ILE A 69 17.091 -2.277 81.848 1.00 0.00 H new ATOM 1083 N THR A 70 15.689 -4.052 81.371 1.00 0.00 N ATOM 1084 CA THR A 70 15.456 -5.391 81.945 1.00 0.00 C ATOM 1085 C THR A 70 15.046 -5.193 83.418 1.00 0.00 C ATOM 1086 O THR A 70 15.307 -4.151 83.984 1.00 0.00 O ATOM 1087 CB THR A 70 16.748 -6.191 81.792 1.00 0.00 C ATOM 1088 OG1 THR A 70 16.837 -7.175 82.810 1.00 0.00 O ATOM 1089 CG2 THR A 70 17.939 -5.226 81.860 1.00 0.00 C ATOM 0 H THR A 70 16.543 -3.598 81.695 1.00 0.00 H new ATOM 0 HA THR A 70 14.661 -5.943 81.443 1.00 0.00 H new ATOM 0 HB THR A 70 16.756 -6.703 80.830 1.00 0.00 H new ATOM 0 HG1 THR A 70 16.892 -8.064 82.402 1.00 0.00 H new ATOM 0 HG21 THR A 70 18.868 -5.786 81.752 1.00 0.00 H new ATOM 0 HG22 THR A 70 17.861 -4.494 81.056 1.00 0.00 H new ATOM 0 HG23 THR A 70 17.936 -4.711 82.821 1.00 0.00 H new ATOM 1097 N PRO A 71 14.350 -6.148 83.979 1.00 0.00 N ATOM 1098 CA PRO A 71 13.818 -6.034 85.358 1.00 0.00 C ATOM 1099 C PRO A 71 14.893 -5.956 86.466 1.00 0.00 C ATOM 1100 O PRO A 71 14.580 -5.575 87.576 1.00 0.00 O ATOM 1101 CB PRO A 71 12.953 -7.294 85.523 1.00 0.00 C ATOM 1102 CG PRO A 71 12.819 -7.921 84.117 1.00 0.00 C ATOM 1103 CD PRO A 71 14.011 -7.416 83.312 1.00 0.00 C ATOM 0 HA PRO A 71 13.274 -5.097 85.475 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.416 -7.995 86.218 1.00 0.00 H new ATOM 0 HB3 PRO A 71 11.974 -7.042 85.930 1.00 0.00 H new ATOM 0 HG2 PRO A 71 12.821 -9.009 84.174 1.00 0.00 H new ATOM 0 HG3 PRO A 71 11.880 -7.628 83.648 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.843 -8.120 83.338 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.754 -7.264 82.264 1.00 0.00 H new ATOM 1111 N LEU A 72 16.133 -6.304 86.233 1.00 0.00 N ATOM 1112 CA LEU A 72 17.096 -6.210 87.368 1.00 0.00 C ATOM 1113 C LEU A 72 17.101 -4.774 87.873 1.00 0.00 C ATOM 1114 O LEU A 72 17.126 -4.530 89.062 1.00 0.00 O ATOM 1115 CB LEU A 72 18.539 -6.622 86.988 1.00 0.00 C ATOM 1116 CG LEU A 72 18.603 -7.518 85.741 1.00 0.00 C ATOM 1117 CD1 LEU A 72 17.402 -8.479 85.660 1.00 0.00 C ATOM 1118 CD2 LEU A 72 18.678 -6.638 84.492 1.00 0.00 C ATOM 0 H LEU A 72 16.508 -6.636 85.345 1.00 0.00 H new ATOM 0 HA LEU A 72 16.766 -6.909 88.136 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.132 -5.724 86.814 1.00 0.00 H new ATOM 0 HB3 LEU A 72 18.994 -7.147 87.828 1.00 0.00 H new ATOM 0 HG LEU A 72 19.498 -8.137 85.808 1.00 0.00 H new ATOM 0 HD11 LEU A 72 17.487 -9.093 84.764 1.00 0.00 H new ATOM 0 HD12 LEU A 72 17.390 -9.121 86.541 1.00 0.00 H new ATOM 0 HD13 LEU A 72 16.477 -7.903 85.618 1.00 0.00 H new ATOM 0 HD21 LEU A 72 18.724 -7.269 83.604 1.00 0.00 H new ATOM 0 HD22 LEU A 72 17.794 -6.003 84.441 1.00 0.00 H new ATOM 0 HD23 LEU A 72 19.570 -6.014 84.540 1.00 0.00 H new ATOM 1130 N LEU A 73 17.069 -3.815 86.988 1.00 0.00 N ATOM 1131 CA LEU A 73 17.069 -2.401 87.448 1.00 0.00 C ATOM 1132 C LEU A 73 15.730 -2.090 88.102 1.00 0.00 C ATOM 1133 O LEU A 73 15.618 -1.208 88.935 1.00 0.00 O ATOM 1134 CB LEU A 73 17.313 -1.457 86.271 1.00 0.00 C ATOM 1135 CG LEU A 73 18.672 -1.784 85.633 1.00 0.00 C ATOM 1136 CD1 LEU A 73 18.521 -2.916 84.605 1.00 0.00 C ATOM 1137 CD2 LEU A 73 19.227 -0.532 84.943 1.00 0.00 C ATOM 0 H LEU A 73 17.043 -3.949 85.977 1.00 0.00 H new ATOM 0 HA LEU A 73 17.871 -2.257 88.172 1.00 0.00 H new ATOM 0 HB2 LEU A 73 16.517 -1.563 85.534 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.297 -0.421 86.611 1.00 0.00 H new ATOM 0 HG LEU A 73 19.360 -2.108 86.413 1.00 0.00 H new ATOM 0 HD11 LEU A 73 19.492 -3.137 84.161 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.137 -3.808 85.100 1.00 0.00 H new ATOM 0 HD13 LEU A 73 17.827 -2.607 83.823 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.191 -0.763 84.490 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.532 -0.205 84.170 1.00 0.00 H new ATOM 0 HD23 LEU A 73 19.353 0.263 85.678 1.00 0.00 H new ATOM 1149 N SER A 74 14.709 -2.812 87.750 1.00 0.00 N ATOM 1150 CA SER A 74 13.394 -2.560 88.383 1.00 0.00 C ATOM 1151 C SER A 74 13.547 -2.735 89.898 1.00 0.00 C ATOM 1152 O SER A 74 13.106 -1.918 90.686 1.00 0.00 O ATOM 1153 CB SER A 74 12.365 -3.552 87.832 1.00 0.00 C ATOM 1154 OG SER A 74 11.080 -3.242 88.354 1.00 0.00 O ATOM 0 H SER A 74 14.728 -3.560 87.057 1.00 0.00 H new ATOM 0 HA SER A 74 13.051 -1.549 88.165 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.347 -3.507 86.743 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.644 -4.570 88.104 1.00 0.00 H new ATOM 0 HG SER A 74 10.422 -3.876 88.000 1.00 0.00 H new ATOM 1160 N ALA A 75 14.183 -3.798 90.304 1.00 0.00 N ATOM 1161 CA ALA A 75 14.386 -4.050 91.762 1.00 0.00 C ATOM 1162 C ALA A 75 15.431 -3.079 92.326 1.00 0.00 C ATOM 1163 O ALA A 75 15.349 -2.659 93.462 1.00 0.00 O ATOM 1164 CB ALA A 75 14.866 -5.489 91.958 1.00 0.00 C ATOM 0 H ALA A 75 14.574 -4.509 89.686 1.00 0.00 H new ATOM 0 HA ALA A 75 13.444 -3.898 92.289 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.017 -5.681 93.020 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.118 -6.179 91.567 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.806 -5.635 91.426 1.00 0.00 H new ATOM 1170 N VAL A 76 16.416 -2.732 91.545 1.00 0.00 N ATOM 1171 CA VAL A 76 17.475 -1.803 92.030 1.00 0.00 C ATOM 1172 C VAL A 76 16.835 -0.649 92.819 1.00 0.00 C ATOM 1173 O VAL A 76 17.036 -0.522 94.011 1.00 0.00 O ATOM 1174 CB VAL A 76 18.258 -1.288 90.808 1.00 0.00 C ATOM 1175 CG1 VAL A 76 19.095 -0.051 91.158 1.00 0.00 C ATOM 1176 CG2 VAL A 76 19.189 -2.407 90.319 1.00 0.00 C ATOM 0 H VAL A 76 16.534 -3.055 90.585 1.00 0.00 H new ATOM 0 HA VAL A 76 18.162 -2.316 92.703 1.00 0.00 H new ATOM 0 HB VAL A 76 17.548 -1.005 90.032 1.00 0.00 H new ATOM 0 HG11 VAL A 76 19.634 0.286 90.273 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.438 0.746 91.508 1.00 0.00 H new ATOM 0 HG13 VAL A 76 19.808 -0.304 91.943 1.00 0.00 H new ATOM 0 HG21 VAL A 76 19.752 -2.059 89.453 1.00 0.00 H new ATOM 0 HG22 VAL A 76 19.881 -2.679 91.116 1.00 0.00 H new ATOM 0 HG23 VAL A 76 18.596 -3.278 90.040 1.00 0.00 H new ATOM 1186 N TYR A 77 16.064 0.185 92.177 1.00 0.00 N ATOM 1187 CA TYR A 77 15.413 1.315 92.905 1.00 0.00 C ATOM 1188 C TYR A 77 14.226 0.782 93.717 1.00 0.00 C ATOM 1189 O TYR A 77 13.168 1.378 93.744 1.00 0.00 O ATOM 1190 CB TYR A 77 14.915 2.350 91.892 1.00 0.00 C ATOM 1191 CG TYR A 77 15.755 2.270 90.640 1.00 0.00 C ATOM 1192 CD1 TYR A 77 16.980 2.941 90.574 1.00 0.00 C ATOM 1193 CD2 TYR A 77 15.307 1.522 89.546 1.00 0.00 C ATOM 1194 CE1 TYR A 77 17.756 2.864 89.412 1.00 0.00 C ATOM 1195 CE2 TYR A 77 16.083 1.445 88.384 1.00 0.00 C ATOM 1196 CZ TYR A 77 17.309 2.116 88.317 1.00 0.00 C ATOM 1197 OH TYR A 77 18.075 2.043 87.172 1.00 0.00 O ATOM 0 H TYR A 77 15.856 0.134 91.180 1.00 0.00 H new ATOM 0 HA TYR A 77 16.133 1.780 93.578 1.00 0.00 H new ATOM 0 HB2 TYR A 77 13.868 2.166 91.653 1.00 0.00 H new ATOM 0 HB3 TYR A 77 14.974 3.351 92.319 1.00 0.00 H new ATOM 0 HD1 TYR A 77 17.327 3.518 91.419 1.00 0.00 H new ATOM 0 HD2 TYR A 77 14.361 1.003 89.598 1.00 0.00 H new ATOM 0 HE1 TYR A 77 18.702 3.383 89.360 1.00 0.00 H new ATOM 0 HE2 TYR A 77 15.736 0.868 87.540 1.00 0.00 H new ATOM 0 HH TYR A 77 17.518 2.248 86.392 1.00 0.00 H new ATOM 1207 N GLU A 78 14.389 -0.337 94.374 1.00 0.00 N ATOM 1208 CA GLU A 78 13.263 -0.906 95.175 1.00 0.00 C ATOM 1209 C GLU A 78 13.733 -1.226 96.594 1.00 0.00 C ATOM 1210 O GLU A 78 12.935 -1.384 97.496 1.00 0.00 O ATOM 1211 CB GLU A 78 12.773 -2.200 94.515 1.00 0.00 C ATOM 1212 CG GLU A 78 11.352 -2.508 94.988 1.00 0.00 C ATOM 1213 CD GLU A 78 10.391 -1.491 94.373 1.00 0.00 C ATOM 1214 OE1 GLU A 78 10.823 -0.749 93.507 1.00 0.00 O ATOM 1215 OE2 GLU A 78 9.241 -1.471 94.779 1.00 0.00 O ATOM 0 H GLU A 78 15.252 -0.881 94.391 1.00 0.00 H new ATOM 0 HA GLU A 78 12.456 -0.174 95.217 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.792 -2.097 93.430 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.439 -3.025 94.769 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.069 -3.519 94.695 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.300 -2.465 96.076 1.00 0.00 H new ATOM 1222 N GLY A 79 15.012 -1.345 96.797 1.00 0.00 N ATOM 1223 CA GLY A 79 15.508 -1.684 98.154 1.00 0.00 C ATOM 1224 C GLY A 79 15.379 -3.193 98.336 1.00 0.00 C ATOM 1225 O GLY A 79 15.836 -3.759 99.309 1.00 0.00 O ATOM 0 H GLY A 79 15.732 -1.223 96.085 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.546 -1.373 98.270 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.931 -1.157 98.914 1.00 0.00 H new ATOM 1229 N HIS A 80 14.773 -3.851 97.384 1.00 0.00 N ATOM 1230 CA HIS A 80 14.626 -5.325 97.478 1.00 0.00 C ATOM 1231 C HIS A 80 15.964 -5.948 97.101 1.00 0.00 C ATOM 1232 O HIS A 80 16.587 -6.625 97.893 1.00 0.00 O ATOM 1233 CB HIS A 80 13.527 -5.792 96.509 1.00 0.00 C ATOM 1234 CG HIS A 80 12.198 -5.802 97.220 1.00 0.00 C ATOM 1235 ND1 HIS A 80 11.306 -6.859 97.120 1.00 0.00 N ATOM 1236 CD2 HIS A 80 11.602 -4.892 98.056 1.00 0.00 C ATOM 1237 CE1 HIS A 80 10.234 -6.564 97.878 1.00 0.00 C ATOM 1238 NE2 HIS A 80 10.364 -5.373 98.472 1.00 0.00 N ATOM 0 H HIS A 80 14.374 -3.427 96.546 1.00 0.00 H new ATOM 0 HA HIS A 80 14.344 -5.626 98.487 1.00 0.00 H new ATOM 0 HB2 HIS A 80 13.484 -5.129 95.645 1.00 0.00 H new ATOM 0 HB3 HIS A 80 13.758 -6.789 96.134 1.00 0.00 H new ATOM 0 HD2 HIS A 80 12.030 -3.944 98.348 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.375 -7.209 97.992 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.699 -4.916 99.096 1.00 0.00 H new ATOM 1246 N VAL A 81 16.419 -5.696 95.898 1.00 0.00 N ATOM 1247 CA VAL A 81 17.731 -6.242 95.440 1.00 0.00 C ATOM 1248 C VAL A 81 17.996 -7.621 96.043 1.00 0.00 C ATOM 1249 O VAL A 81 19.100 -8.127 96.007 1.00 0.00 O ATOM 1250 CB VAL A 81 18.845 -5.245 95.775 1.00 0.00 C ATOM 1251 CG1 VAL A 81 18.940 -4.208 94.647 1.00 0.00 C ATOM 1252 CG2 VAL A 81 18.516 -4.518 97.085 1.00 0.00 C ATOM 0 H VAL A 81 15.929 -5.128 95.207 1.00 0.00 H new ATOM 0 HA VAL A 81 17.705 -6.376 94.359 1.00 0.00 H new ATOM 0 HB VAL A 81 19.789 -5.780 95.882 1.00 0.00 H new ATOM 0 HG11 VAL A 81 19.730 -3.493 94.876 1.00 0.00 H new ATOM 0 HG12 VAL A 81 19.167 -4.712 93.708 1.00 0.00 H new ATOM 0 HG13 VAL A 81 17.990 -3.682 94.556 1.00 0.00 H new ATOM 0 HG21 VAL A 81 19.312 -3.810 97.318 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.573 -3.981 96.977 1.00 0.00 H new ATOM 0 HG23 VAL A 81 18.429 -5.245 97.893 1.00 0.00 H new ATOM 1262 N SER A 82 16.971 -8.263 96.518 1.00 0.00 N ATOM 1263 CA SER A 82 17.125 -9.645 97.029 1.00 0.00 C ATOM 1264 C SER A 82 16.975 -10.543 95.809 1.00 0.00 C ATOM 1265 O SER A 82 17.476 -11.647 95.745 1.00 0.00 O ATOM 1266 CB SER A 82 16.025 -9.943 98.050 1.00 0.00 C ATOM 1267 OG SER A 82 15.742 -11.335 98.045 1.00 0.00 O ATOM 0 H SER A 82 16.025 -7.885 96.574 1.00 0.00 H new ATOM 0 HA SER A 82 18.082 -9.799 97.527 1.00 0.00 H new ATOM 0 HB2 SER A 82 16.342 -9.629 99.044 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.126 -9.377 97.808 1.00 0.00 H new ATOM 0 HG SER A 82 15.445 -11.612 98.937 1.00 0.00 H new ATOM 1273 N CYS A 83 16.280 -10.026 94.829 1.00 0.00 N ATOM 1274 CA CYS A 83 16.052 -10.759 93.561 1.00 0.00 C ATOM 1275 C CYS A 83 17.288 -10.608 92.675 1.00 0.00 C ATOM 1276 O CYS A 83 17.804 -11.571 92.147 1.00 0.00 O ATOM 1277 CB CYS A 83 14.841 -10.148 92.859 1.00 0.00 C ATOM 1278 SG CYS A 83 15.133 -8.381 92.594 1.00 0.00 S ATOM 0 H CYS A 83 15.852 -9.101 94.862 1.00 0.00 H new ATOM 0 HA CYS A 83 15.871 -11.816 93.757 1.00 0.00 H new ATOM 0 HB2 CYS A 83 14.669 -10.647 91.905 1.00 0.00 H new ATOM 0 HB3 CYS A 83 13.945 -10.294 93.462 1.00 0.00 H new ATOM 0 HG CYS A 83 15.095 -8.121 91.321 1.00 0.00 H new ATOM 1284 N VAL A 84 17.781 -9.402 92.521 1.00 0.00 N ATOM 1285 CA VAL A 84 19.001 -9.202 91.683 1.00 0.00 C ATOM 1286 C VAL A 84 20.016 -10.278 92.051 1.00 0.00 C ATOM 1287 O VAL A 84 20.705 -10.822 91.212 1.00 0.00 O ATOM 1288 CB VAL A 84 19.634 -7.842 91.980 1.00 0.00 C ATOM 1289 CG1 VAL A 84 18.700 -6.715 91.547 1.00 0.00 C ATOM 1290 CG2 VAL A 84 19.906 -7.741 93.480 1.00 0.00 C ATOM 0 H VAL A 84 17.393 -8.555 92.937 1.00 0.00 H new ATOM 0 HA VAL A 84 18.723 -9.254 90.630 1.00 0.00 H new ATOM 0 HB VAL A 84 20.568 -7.749 91.425 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.165 -5.753 91.765 1.00 0.00 H new ATOM 0 HG12 VAL A 84 18.509 -6.792 90.477 1.00 0.00 H new ATOM 0 HG13 VAL A 84 17.758 -6.794 92.090 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.358 -6.775 93.704 1.00 0.00 H new ATOM 0 HG22 VAL A 84 18.968 -7.839 94.027 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.586 -8.538 93.781 1.00 0.00 H new ATOM 1300 N LYS A 85 20.113 -10.572 93.315 1.00 0.00 N ATOM 1301 CA LYS A 85 21.083 -11.597 93.781 1.00 0.00 C ATOM 1302 C LYS A 85 20.905 -12.918 93.002 1.00 0.00 C ATOM 1303 O LYS A 85 21.693 -13.250 92.131 1.00 0.00 O ATOM 1304 CB LYS A 85 20.860 -11.843 95.278 1.00 0.00 C ATOM 1305 CG LYS A 85 20.837 -10.512 96.041 1.00 0.00 C ATOM 1306 CD LYS A 85 22.196 -9.799 95.954 1.00 0.00 C ATOM 1307 CE LYS A 85 23.330 -10.745 96.367 1.00 0.00 C ATOM 1308 NZ LYS A 85 24.469 -9.949 96.902 1.00 0.00 N ATOM 0 H LYS A 85 19.556 -10.141 94.053 1.00 0.00 H new ATOM 0 HA LYS A 85 22.096 -11.235 93.606 1.00 0.00 H new ATOM 0 HB2 LYS A 85 19.920 -12.373 95.430 1.00 0.00 H new ATOM 0 HB3 LYS A 85 21.652 -12.481 95.670 1.00 0.00 H new ATOM 0 HG2 LYS A 85 20.059 -9.868 95.631 1.00 0.00 H new ATOM 0 HG3 LYS A 85 20.584 -10.693 97.086 1.00 0.00 H new ATOM 0 HD2 LYS A 85 22.363 -9.445 94.936 1.00 0.00 H new ATOM 0 HD3 LYS A 85 22.194 -8.921 96.600 1.00 0.00 H new ATOM 0 HE2 LYS A 85 22.976 -11.447 97.122 1.00 0.00 H new ATOM 0 HE3 LYS A 85 23.655 -11.336 95.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 25.239 -10.590 97.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 24.812 -9.297 96.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 24.153 -9.404 97.730 1.00 0.00 H new ATOM 1322 N LEU A 86 19.890 -13.684 93.314 1.00 0.00 N ATOM 1323 CA LEU A 86 19.687 -14.984 92.601 1.00 0.00 C ATOM 1324 C LEU A 86 19.448 -14.735 91.109 1.00 0.00 C ATOM 1325 O LEU A 86 19.349 -15.653 90.319 1.00 0.00 O ATOM 1326 CB LEU A 86 18.534 -15.772 93.271 1.00 0.00 C ATOM 1327 CG LEU A 86 17.173 -15.584 92.574 1.00 0.00 C ATOM 1328 CD1 LEU A 86 16.855 -14.097 92.378 1.00 0.00 C ATOM 1329 CD2 LEU A 86 17.144 -16.316 91.220 1.00 0.00 C ATOM 0 H LEU A 86 19.195 -13.467 94.029 1.00 0.00 H new ATOM 0 HA LEU A 86 20.585 -15.597 92.678 1.00 0.00 H new ATOM 0 HB2 LEU A 86 18.786 -16.832 93.278 1.00 0.00 H new ATOM 0 HB3 LEU A 86 18.447 -15.458 94.311 1.00 0.00 H new ATOM 0 HG LEU A 86 16.409 -16.017 93.219 1.00 0.00 H new ATOM 0 HD11 LEU A 86 15.889 -13.994 91.884 1.00 0.00 H new ATOM 0 HD12 LEU A 86 16.821 -13.601 93.348 1.00 0.00 H new ATOM 0 HD13 LEU A 86 17.628 -13.638 91.762 1.00 0.00 H new ATOM 0 HD21 LEU A 86 16.173 -16.168 90.747 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.926 -15.917 90.574 1.00 0.00 H new ATOM 0 HD23 LEU A 86 17.312 -17.381 91.379 1.00 0.00 H new ATOM 1341 N LEU A 87 19.372 -13.499 90.709 1.00 0.00 N ATOM 1342 CA LEU A 87 19.131 -13.197 89.270 1.00 0.00 C ATOM 1343 C LEU A 87 20.392 -13.436 88.431 1.00 0.00 C ATOM 1344 O LEU A 87 20.428 -14.343 87.622 1.00 0.00 O ATOM 1345 CB LEU A 87 18.704 -11.731 89.130 1.00 0.00 C ATOM 1346 CG LEU A 87 17.271 -11.641 88.609 1.00 0.00 C ATOM 1347 CD1 LEU A 87 16.753 -10.211 88.794 1.00 0.00 C ATOM 1348 CD2 LEU A 87 17.236 -12.010 87.127 1.00 0.00 C ATOM 0 H LEU A 87 19.466 -12.684 91.315 1.00 0.00 H new ATOM 0 HA LEU A 87 18.347 -13.861 88.906 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.779 -11.230 90.095 1.00 0.00 H new ATOM 0 HB3 LEU A 87 19.379 -11.213 88.449 1.00 0.00 H new ATOM 0 HG LEU A 87 16.639 -12.334 89.165 1.00 0.00 H new ATOM 0 HD11 LEU A 87 15.730 -10.144 88.423 1.00 0.00 H new ATOM 0 HD12 LEU A 87 16.773 -9.951 89.852 1.00 0.00 H new ATOM 0 HD13 LEU A 87 17.387 -9.520 88.238 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.212 -11.944 86.760 1.00 0.00 H new ATOM 0 HD22 LEU A 87 17.868 -11.321 86.566 1.00 0.00 H new ATOM 0 HD23 LEU A 87 17.604 -13.028 86.997 1.00 0.00 H new ATOM 1360 N LEU A 88 21.411 -12.621 88.564 1.00 0.00 N ATOM 1361 CA LEU A 88 22.605 -12.839 87.702 1.00 0.00 C ATOM 1362 C LEU A 88 23.135 -14.256 87.887 1.00 0.00 C ATOM 1363 O LEU A 88 23.882 -14.754 87.068 1.00 0.00 O ATOM 1364 CB LEU A 88 23.706 -11.784 87.933 1.00 0.00 C ATOM 1365 CG LEU A 88 24.451 -11.979 89.263 1.00 0.00 C ATOM 1366 CD1 LEU A 88 23.453 -12.147 90.401 1.00 0.00 C ATOM 1367 CD2 LEU A 88 25.376 -13.206 89.188 1.00 0.00 C ATOM 0 H LEU A 88 21.465 -11.837 89.214 1.00 0.00 H new ATOM 0 HA LEU A 88 22.289 -12.718 86.666 1.00 0.00 H new ATOM 0 HB2 LEU A 88 24.421 -11.827 87.112 1.00 0.00 H new ATOM 0 HB3 LEU A 88 23.259 -10.790 87.915 1.00 0.00 H new ATOM 0 HG LEU A 88 25.061 -11.095 89.452 1.00 0.00 H new ATOM 0 HD11 LEU A 88 23.991 -12.285 91.339 1.00 0.00 H new ATOM 0 HD12 LEU A 88 22.826 -11.258 90.469 1.00 0.00 H new ATOM 0 HD13 LEU A 88 22.827 -13.019 90.210 1.00 0.00 H new ATOM 0 HD21 LEU A 88 25.895 -13.329 90.138 1.00 0.00 H new ATOM 0 HD22 LEU A 88 24.783 -14.097 88.981 1.00 0.00 H new ATOM 0 HD23 LEU A 88 26.106 -13.063 88.391 1.00 0.00 H new ATOM 1379 N SER A 89 22.723 -14.934 88.919 1.00 0.00 N ATOM 1380 CA SER A 89 23.174 -16.339 89.080 1.00 0.00 C ATOM 1381 C SER A 89 22.677 -17.085 87.842 1.00 0.00 C ATOM 1382 O SER A 89 23.113 -18.174 87.522 1.00 0.00 O ATOM 1383 CB SER A 89 22.553 -16.951 90.339 1.00 0.00 C ATOM 1384 OG SER A 89 23.488 -16.883 91.407 1.00 0.00 O ATOM 0 H SER A 89 22.102 -14.582 89.648 1.00 0.00 H new ATOM 0 HA SER A 89 24.258 -16.401 89.181 1.00 0.00 H new ATOM 0 HB2 SER A 89 21.641 -16.416 90.605 1.00 0.00 H new ATOM 0 HB3 SER A 89 22.272 -17.987 90.152 1.00 0.00 H new ATOM 0 HG SER A 89 23.092 -17.273 92.214 1.00 0.00 H new ATOM 1390 N LYS A 90 21.753 -16.463 87.151 1.00 0.00 N ATOM 1391 CA LYS A 90 21.161 -17.044 85.920 1.00 0.00 C ATOM 1392 C LYS A 90 21.787 -16.341 84.708 1.00 0.00 C ATOM 1393 O LYS A 90 21.857 -16.876 83.622 1.00 0.00 O ATOM 1394 CB LYS A 90 19.650 -16.745 85.955 1.00 0.00 C ATOM 1395 CG LYS A 90 18.844 -17.895 85.356 1.00 0.00 C ATOM 1396 CD LYS A 90 18.968 -17.896 83.825 1.00 0.00 C ATOM 1397 CE LYS A 90 18.455 -16.573 83.257 1.00 0.00 C ATOM 1398 NZ LYS A 90 19.600 -15.635 83.080 1.00 0.00 N ATOM 0 H LYS A 90 21.378 -15.549 87.403 1.00 0.00 H new ATOM 0 HA LYS A 90 21.340 -18.117 85.856 1.00 0.00 H new ATOM 0 HB2 LYS A 90 19.334 -16.574 86.984 1.00 0.00 H new ATOM 0 HB3 LYS A 90 19.445 -15.828 85.402 1.00 0.00 H new ATOM 0 HG2 LYS A 90 19.200 -18.844 85.757 1.00 0.00 H new ATOM 0 HG3 LYS A 90 17.796 -17.801 85.642 1.00 0.00 H new ATOM 0 HD2 LYS A 90 20.008 -18.046 83.537 1.00 0.00 H new ATOM 0 HD3 LYS A 90 18.399 -18.726 83.407 1.00 0.00 H new ATOM 0 HE2 LYS A 90 17.958 -16.743 82.302 1.00 0.00 H new ATOM 0 HE3 LYS A 90 17.715 -16.138 83.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 19.443 -15.051 82.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 19.678 -15.020 83.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 20.480 -16.178 82.967 1.00 0.00 H new ATOM 1412 N GLY A 91 22.251 -15.137 84.909 1.00 0.00 N ATOM 1413 CA GLY A 91 22.880 -14.363 83.801 1.00 0.00 C ATOM 1414 C GLY A 91 22.456 -12.893 83.906 1.00 0.00 C ATOM 1415 O GLY A 91 23.007 -12.133 84.676 1.00 0.00 O ATOM 0 H GLY A 91 22.220 -14.651 85.805 1.00 0.00 H new ATOM 0 HA2 GLY A 91 23.966 -14.445 83.855 1.00 0.00 H new ATOM 0 HA3 GLY A 91 22.577 -14.773 82.838 1.00 0.00 H new ATOM 1419 N ALA A 92 21.470 -12.497 83.148 1.00 0.00 N ATOM 1420 CA ALA A 92 20.981 -11.084 83.204 1.00 0.00 C ATOM 1421 C ALA A 92 22.137 -10.097 83.252 1.00 0.00 C ATOM 1422 O ALA A 92 21.928 -8.919 83.462 1.00 0.00 O ATOM 1423 CB ALA A 92 20.136 -10.899 84.467 1.00 0.00 C ATOM 0 H ALA A 92 20.976 -13.095 82.486 1.00 0.00 H new ATOM 0 HA ALA A 92 20.394 -10.893 82.306 1.00 0.00 H new ATOM 0 HB1 ALA A 92 19.775 -9.872 84.516 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.286 -11.581 84.439 1.00 0.00 H new ATOM 0 HB3 ALA A 92 20.744 -11.112 85.346 1.00 0.00 H new ATOM 1429 N ASP A 93 23.343 -10.536 83.053 1.00 0.00 N ATOM 1430 CA ASP A 93 24.470 -9.573 83.100 1.00 0.00 C ATOM 1431 C ASP A 93 24.169 -8.523 84.186 1.00 0.00 C ATOM 1432 O ASP A 93 23.932 -8.856 85.331 1.00 0.00 O ATOM 1433 CB ASP A 93 24.562 -8.902 81.735 1.00 0.00 C ATOM 1434 CG ASP A 93 25.108 -9.894 80.706 1.00 0.00 C ATOM 1435 OD1 ASP A 93 24.399 -10.833 80.379 1.00 0.00 O ATOM 1436 OD2 ASP A 93 26.226 -9.698 80.259 1.00 0.00 O ATOM 0 H ASP A 93 23.596 -11.506 82.862 1.00 0.00 H new ATOM 0 HA ASP A 93 25.411 -10.070 83.334 1.00 0.00 H new ATOM 0 HB2 ASP A 93 23.578 -8.548 81.426 1.00 0.00 H new ATOM 0 HB3 ASP A 93 25.211 -8.028 81.792 1.00 0.00 H new ATOM 1441 N LYS A 94 24.134 -7.267 83.832 1.00 0.00 N ATOM 1442 CA LYS A 94 23.795 -6.214 84.837 1.00 0.00 C ATOM 1443 C LYS A 94 23.463 -4.906 84.107 1.00 0.00 C ATOM 1444 O LYS A 94 22.697 -4.092 84.584 1.00 0.00 O ATOM 1445 CB LYS A 94 24.947 -6.021 85.836 1.00 0.00 C ATOM 1446 CG LYS A 94 26.166 -5.375 85.166 1.00 0.00 C ATOM 1447 CD LYS A 94 26.988 -6.440 84.418 1.00 0.00 C ATOM 1448 CE LYS A 94 27.139 -6.031 82.954 1.00 0.00 C ATOM 1449 NZ LYS A 94 28.087 -6.955 82.275 1.00 0.00 N ATOM 0 H LYS A 94 24.325 -6.923 82.891 1.00 0.00 H new ATOM 0 HA LYS A 94 22.922 -6.528 85.409 1.00 0.00 H new ATOM 0 HB2 LYS A 94 24.612 -5.397 86.664 1.00 0.00 H new ATOM 0 HB3 LYS A 94 25.230 -6.985 86.258 1.00 0.00 H new ATOM 0 HG2 LYS A 94 25.840 -4.602 84.470 1.00 0.00 H new ATOM 0 HG3 LYS A 94 26.787 -4.887 85.917 1.00 0.00 H new ATOM 0 HD2 LYS A 94 27.969 -6.548 84.880 1.00 0.00 H new ATOM 0 HD3 LYS A 94 26.495 -7.410 84.487 1.00 0.00 H new ATOM 0 HE2 LYS A 94 26.170 -6.057 82.456 1.00 0.00 H new ATOM 0 HE3 LYS A 94 27.503 -5.006 82.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 28.190 -6.676 81.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 29.014 -6.908 82.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 27.721 -7.927 82.327 1.00 0.00 H new ATOM 1463 N THR A 95 24.019 -4.717 82.940 1.00 0.00 N ATOM 1464 CA THR A 95 23.737 -3.488 82.144 1.00 0.00 C ATOM 1465 C THR A 95 23.555 -3.912 80.692 1.00 0.00 C ATOM 1466 O THR A 95 23.997 -3.253 79.773 1.00 0.00 O ATOM 1467 CB THR A 95 24.921 -2.521 82.240 1.00 0.00 C ATOM 1468 OG1 THR A 95 25.412 -2.500 83.572 1.00 0.00 O ATOM 1469 CG2 THR A 95 24.476 -1.114 81.835 1.00 0.00 C ATOM 0 H THR A 95 24.665 -5.371 82.499 1.00 0.00 H new ATOM 0 HA THR A 95 22.845 -2.989 82.522 1.00 0.00 H new ATOM 0 HB THR A 95 25.711 -2.854 81.568 1.00 0.00 H new ATOM 0 HG1 THR A 95 26.392 -2.486 83.559 1.00 0.00 H new ATOM 0 HG21 THR A 95 25.322 -0.430 81.905 1.00 0.00 H new ATOM 0 HG22 THR A 95 24.107 -1.130 80.810 1.00 0.00 H new ATOM 0 HG23 THR A 95 23.682 -0.778 82.501 1.00 0.00 H new ATOM 1477 N VAL A 96 22.926 -5.033 80.486 1.00 0.00 N ATOM 1478 CA VAL A 96 22.737 -5.544 79.109 1.00 0.00 C ATOM 1479 C VAL A 96 21.627 -4.755 78.401 1.00 0.00 C ATOM 1480 O VAL A 96 21.329 -4.996 77.247 1.00 0.00 O ATOM 1481 CB VAL A 96 22.401 -7.050 79.198 1.00 0.00 C ATOM 1482 CG1 VAL A 96 21.247 -7.423 78.261 1.00 0.00 C ATOM 1483 CG2 VAL A 96 23.638 -7.871 78.815 1.00 0.00 C ATOM 0 H VAL A 96 22.532 -5.620 81.222 1.00 0.00 H new ATOM 0 HA VAL A 96 23.646 -5.415 78.521 1.00 0.00 H new ATOM 0 HB VAL A 96 22.099 -7.268 80.222 1.00 0.00 H new ATOM 0 HG11 VAL A 96 21.037 -8.489 78.349 1.00 0.00 H new ATOM 0 HG12 VAL A 96 20.358 -6.854 78.534 1.00 0.00 H new ATOM 0 HG13 VAL A 96 21.524 -7.191 77.233 1.00 0.00 H new ATOM 0 HG21 VAL A 96 23.403 -8.934 78.877 1.00 0.00 H new ATOM 0 HG22 VAL A 96 23.937 -7.625 77.796 1.00 0.00 H new ATOM 0 HG23 VAL A 96 24.454 -7.639 79.499 1.00 0.00 H new ATOM 1493 N LYS A 97 21.022 -3.798 79.060 1.00 0.00 N ATOM 1494 CA LYS A 97 19.956 -3.014 78.368 1.00 0.00 C ATOM 1495 C LYS A 97 19.642 -1.693 79.093 1.00 0.00 C ATOM 1496 O LYS A 97 18.800 -0.936 78.652 1.00 0.00 O ATOM 1497 CB LYS A 97 18.690 -3.868 78.246 1.00 0.00 C ATOM 1498 CG LYS A 97 18.214 -3.861 76.786 1.00 0.00 C ATOM 1499 CD LYS A 97 17.076 -4.865 76.599 1.00 0.00 C ATOM 1500 CE LYS A 97 17.648 -6.279 76.462 1.00 0.00 C ATOM 1501 NZ LYS A 97 16.616 -7.173 75.867 1.00 0.00 N ATOM 0 H LYS A 97 21.215 -3.531 80.025 1.00 0.00 H new ATOM 0 HA LYS A 97 20.324 -2.754 77.375 1.00 0.00 H new ATOM 0 HB2 LYS A 97 18.893 -4.889 78.570 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.909 -3.476 78.897 1.00 0.00 H new ATOM 0 HG2 LYS A 97 17.877 -2.862 76.510 1.00 0.00 H new ATOM 0 HG3 LYS A 97 19.043 -4.112 76.124 1.00 0.00 H new ATOM 0 HD2 LYS A 97 16.395 -4.819 77.449 1.00 0.00 H new ATOM 0 HD3 LYS A 97 16.496 -4.610 75.712 1.00 0.00 H new ATOM 0 HE2 LYS A 97 18.538 -6.264 75.833 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.953 -6.656 77.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.075 -7.861 75.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.115 -7.678 76.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.936 -6.604 75.323 1.00 0.00 H new ATOM 1515 N GLY A 98 20.313 -1.376 80.170 1.00 0.00 N ATOM 1516 CA GLY A 98 20.028 -0.074 80.847 1.00 0.00 C ATOM 1517 C GLY A 98 20.537 1.042 79.931 1.00 0.00 C ATOM 1518 O GLY A 98 21.037 0.757 78.861 1.00 0.00 O ATOM 0 H GLY A 98 21.035 -1.951 80.605 1.00 0.00 H new ATOM 0 HA2 GLY A 98 18.959 0.037 81.029 1.00 0.00 H new ATOM 0 HA3 GLY A 98 20.523 -0.030 81.817 1.00 0.00 H new ATOM 1522 N PRO A 99 20.426 2.276 80.358 1.00 0.00 N ATOM 1523 CA PRO A 99 20.913 3.401 79.543 1.00 0.00 C ATOM 1524 C PRO A 99 22.398 3.206 79.308 1.00 0.00 C ATOM 1525 O PRO A 99 22.821 2.703 78.286 1.00 0.00 O ATOM 1526 CB PRO A 99 20.644 4.654 80.391 1.00 0.00 C ATOM 1527 CG PRO A 99 20.103 4.174 81.763 1.00 0.00 C ATOM 1528 CD PRO A 99 19.832 2.657 81.653 1.00 0.00 C ATOM 0 HA PRO A 99 20.428 3.480 78.570 1.00 0.00 H new ATOM 0 HB2 PRO A 99 21.558 5.234 80.520 1.00 0.00 H new ATOM 0 HB3 PRO A 99 19.920 5.304 79.898 1.00 0.00 H new ATOM 0 HG2 PRO A 99 20.827 4.378 82.552 1.00 0.00 H new ATOM 0 HG3 PRO A 99 19.189 4.708 82.023 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.290 2.110 82.477 1.00 0.00 H new ATOM 0 HD3 PRO A 99 18.764 2.440 81.680 1.00 0.00 H new ATOM 1536 N ASP A 100 23.185 3.577 80.265 1.00 0.00 N ATOM 1537 CA ASP A 100 24.647 3.398 80.145 1.00 0.00 C ATOM 1538 C ASP A 100 25.123 2.617 81.364 1.00 0.00 C ATOM 1539 O ASP A 100 24.439 1.741 81.864 1.00 0.00 O ATOM 1540 CB ASP A 100 25.328 4.771 80.103 1.00 0.00 C ATOM 1541 CG ASP A 100 26.770 4.612 79.617 1.00 0.00 C ATOM 1542 OD1 ASP A 100 26.959 4.016 78.570 1.00 0.00 O ATOM 1543 OD2 ASP A 100 27.660 5.091 80.300 1.00 0.00 O ATOM 0 H ASP A 100 22.874 4.003 81.138 1.00 0.00 H new ATOM 0 HA ASP A 100 24.896 2.858 79.231 1.00 0.00 H new ATOM 0 HB2 ASP A 100 24.781 5.440 79.438 1.00 0.00 H new ATOM 0 HB3 ASP A 100 25.315 5.225 81.094 1.00 0.00 H new ATOM 1548 N GLY A 101 26.276 2.933 81.853 1.00 0.00 N ATOM 1549 CA GLY A 101 26.795 2.216 83.047 1.00 0.00 C ATOM 1550 C GLY A 101 25.830 2.415 84.220 1.00 0.00 C ATOM 1551 O GLY A 101 26.063 1.940 85.322 1.00 0.00 O ATOM 0 H GLY A 101 26.888 3.659 81.481 1.00 0.00 H new ATOM 0 HA2 GLY A 101 26.904 1.154 82.828 1.00 0.00 H new ATOM 0 HA3 GLY A 101 27.785 2.591 83.308 1.00 0.00 H new ATOM 1555 N LEU A 102 24.736 3.097 83.994 1.00 0.00 N ATOM 1556 CA LEU A 102 23.761 3.314 85.094 1.00 0.00 C ATOM 1557 C LEU A 102 23.552 2.010 85.814 1.00 0.00 C ATOM 1558 O LEU A 102 23.908 1.877 86.963 1.00 0.00 O ATOM 1559 CB LEU A 102 22.414 3.795 84.536 1.00 0.00 C ATOM 1560 CG LEU A 102 21.431 4.191 85.664 1.00 0.00 C ATOM 1561 CD1 LEU A 102 20.099 4.607 85.045 1.00 0.00 C ATOM 1562 CD2 LEU A 102 21.165 3.019 86.616 1.00 0.00 C ATOM 0 H LEU A 102 24.480 3.510 83.097 1.00 0.00 H new ATOM 0 HA LEU A 102 24.152 4.073 85.772 1.00 0.00 H new ATOM 0 HB2 LEU A 102 22.577 4.650 83.880 1.00 0.00 H new ATOM 0 HB3 LEU A 102 21.970 3.007 83.928 1.00 0.00 H new ATOM 0 HG LEU A 102 21.881 5.010 86.226 1.00 0.00 H new ATOM 0 HD11 LEU A 102 19.402 4.887 85.835 1.00 0.00 H new ATOM 0 HD12 LEU A 102 20.256 5.457 84.381 1.00 0.00 H new ATOM 0 HD13 LEU A 102 19.686 3.774 84.476 1.00 0.00 H new ATOM 0 HD21 LEU A 102 20.471 3.334 87.395 1.00 0.00 H new ATOM 0 HD22 LEU A 102 20.733 2.188 86.058 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.102 2.701 87.072 1.00 0.00 H new ATOM 1574 N THR A 103 22.941 1.055 85.162 1.00 0.00 N ATOM 1575 CA THR A 103 22.663 -0.223 85.856 1.00 0.00 C ATOM 1576 C THR A 103 22.692 0.047 87.359 1.00 0.00 C ATOM 1577 O THR A 103 21.841 0.729 87.908 1.00 0.00 O ATOM 1578 CB THR A 103 23.715 -1.278 85.498 1.00 0.00 C ATOM 1579 OG1 THR A 103 23.690 -2.305 86.478 1.00 0.00 O ATOM 1580 CG2 THR A 103 25.104 -0.647 85.462 1.00 0.00 C ATOM 0 H THR A 103 22.629 1.109 84.192 1.00 0.00 H new ATOM 0 HA THR A 103 21.690 -0.606 85.549 1.00 0.00 H new ATOM 0 HB THR A 103 23.490 -1.691 84.515 1.00 0.00 H new ATOM 0 HG1 THR A 103 23.353 -3.133 86.076 1.00 0.00 H new ATOM 0 HG21 THR A 103 25.842 -1.407 85.207 1.00 0.00 H new ATOM 0 HG22 THR A 103 25.125 0.145 84.713 1.00 0.00 H new ATOM 0 HG23 THR A 103 25.339 -0.228 86.440 1.00 0.00 H new ATOM 1588 N ALA A 104 23.677 -0.458 88.024 1.00 0.00 N ATOM 1589 CA ALA A 104 23.779 -0.224 89.488 1.00 0.00 C ATOM 1590 C ALA A 104 24.614 1.039 89.773 1.00 0.00 C ATOM 1591 O ALA A 104 24.460 1.676 90.803 1.00 0.00 O ATOM 1592 CB ALA A 104 24.450 -1.439 90.131 1.00 0.00 C ATOM 0 H ALA A 104 24.422 -1.026 87.621 1.00 0.00 H new ATOM 0 HA ALA A 104 22.782 -0.080 89.903 1.00 0.00 H new ATOM 0 HB1 ALA A 104 24.532 -1.282 91.207 1.00 0.00 H new ATOM 0 HB2 ALA A 104 23.851 -2.329 89.939 1.00 0.00 H new ATOM 0 HB3 ALA A 104 25.445 -1.572 89.707 1.00 0.00 H new ATOM 1598 N LEU A 105 25.520 1.389 88.888 1.00 0.00 N ATOM 1599 CA LEU A 105 26.402 2.572 89.124 1.00 0.00 C ATOM 1600 C LEU A 105 25.618 3.867 89.364 1.00 0.00 C ATOM 1601 O LEU A 105 25.550 4.363 90.471 1.00 0.00 O ATOM 1602 CB LEU A 105 27.291 2.790 87.901 1.00 0.00 C ATOM 1603 CG LEU A 105 27.916 1.476 87.444 1.00 0.00 C ATOM 1604 CD1 LEU A 105 28.881 1.765 86.294 1.00 0.00 C ATOM 1605 CD2 LEU A 105 28.682 0.834 88.603 1.00 0.00 C ATOM 0 H LEU A 105 25.685 0.901 88.008 1.00 0.00 H new ATOM 0 HA LEU A 105 26.983 2.353 90.020 1.00 0.00 H new ATOM 0 HB2 LEU A 105 26.703 3.219 87.090 1.00 0.00 H new ATOM 0 HB3 LEU A 105 28.076 3.508 88.140 1.00 0.00 H new ATOM 0 HG LEU A 105 27.134 0.792 87.114 1.00 0.00 H new ATOM 0 HD11 LEU A 105 29.335 0.833 85.957 1.00 0.00 H new ATOM 0 HD12 LEU A 105 28.336 2.222 85.468 1.00 0.00 H new ATOM 0 HD13 LEU A 105 29.661 2.446 86.636 1.00 0.00 H new ATOM 0 HD21 LEU A 105 29.126 -0.104 88.270 1.00 0.00 H new ATOM 0 HD22 LEU A 105 29.469 1.510 88.937 1.00 0.00 H new ATOM 0 HD23 LEU A 105 27.997 0.639 89.428 1.00 0.00 H new ATOM 1617 N GLU A 106 25.079 4.455 88.330 1.00 0.00 N ATOM 1618 CA GLU A 106 24.372 5.745 88.500 1.00 0.00 C ATOM 1619 C GLU A 106 22.986 5.506 89.091 1.00 0.00 C ATOM 1620 O GLU A 106 22.160 6.394 89.141 1.00 0.00 O ATOM 1621 CB GLU A 106 24.256 6.435 87.135 1.00 0.00 C ATOM 1622 CG GLU A 106 25.604 6.372 86.409 1.00 0.00 C ATOM 1623 CD GLU A 106 26.599 7.316 87.088 1.00 0.00 C ATOM 1624 OE1 GLU A 106 26.610 8.484 86.738 1.00 0.00 O ATOM 1625 OE2 GLU A 106 27.337 6.853 87.943 1.00 0.00 O ATOM 0 H GLU A 106 25.101 4.093 87.377 1.00 0.00 H new ATOM 0 HA GLU A 106 24.932 6.384 89.183 1.00 0.00 H new ATOM 0 HB2 GLU A 106 23.486 5.950 86.535 1.00 0.00 H new ATOM 0 HB3 GLU A 106 23.951 7.473 87.266 1.00 0.00 H new ATOM 0 HG2 GLU A 106 25.988 5.352 86.422 1.00 0.00 H new ATOM 0 HG3 GLU A 106 25.478 6.651 85.363 1.00 0.00 H new ATOM 1632 N ALA A 107 22.729 4.313 89.556 1.00 0.00 N ATOM 1633 CA ALA A 107 21.399 4.031 90.157 1.00 0.00 C ATOM 1634 C ALA A 107 21.326 4.546 91.601 1.00 0.00 C ATOM 1635 O ALA A 107 20.371 5.197 91.975 1.00 0.00 O ATOM 1636 CB ALA A 107 21.141 2.525 90.162 1.00 0.00 C ATOM 0 H ALA A 107 23.380 3.528 89.545 1.00 0.00 H new ATOM 0 HA ALA A 107 20.646 4.542 89.558 1.00 0.00 H new ATOM 0 HB1 ALA A 107 20.165 2.325 90.604 1.00 0.00 H new ATOM 0 HB2 ALA A 107 21.161 2.149 89.139 1.00 0.00 H new ATOM 0 HB3 ALA A 107 21.913 2.025 90.747 1.00 0.00 H new ATOM 1642 N THR A 108 22.284 4.232 92.440 1.00 0.00 N ATOM 1643 CA THR A 108 22.169 4.691 93.854 1.00 0.00 C ATOM 1644 C THR A 108 23.527 4.793 94.550 1.00 0.00 C ATOM 1645 O THR A 108 24.540 5.111 93.956 1.00 0.00 O ATOM 1646 CB THR A 108 21.337 3.665 94.608 1.00 0.00 C ATOM 1647 OG1 THR A 108 21.172 4.082 95.956 1.00 0.00 O ATOM 1648 CG2 THR A 108 22.064 2.321 94.568 1.00 0.00 C ATOM 0 H THR A 108 23.119 3.692 92.213 1.00 0.00 H new ATOM 0 HA THR A 108 21.716 5.683 93.851 1.00 0.00 H new ATOM 0 HB THR A 108 20.355 3.569 94.145 1.00 0.00 H new ATOM 0 HG1 THR A 108 20.634 3.421 96.440 1.00 0.00 H new ATOM 0 HG21 THR A 108 21.479 1.575 95.105 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.190 2.006 93.532 1.00 0.00 H new ATOM 0 HG23 THR A 108 23.042 2.422 95.038 1.00 0.00 H new ATOM 1656 N ASP A 109 23.526 4.512 95.832 1.00 0.00 N ATOM 1657 CA ASP A 109 24.770 4.562 96.639 1.00 0.00 C ATOM 1658 C ASP A 109 24.745 3.444 97.690 1.00 0.00 C ATOM 1659 O ASP A 109 25.730 3.201 98.359 1.00 0.00 O ATOM 1660 CB ASP A 109 24.885 5.921 97.334 1.00 0.00 C ATOM 1661 CG ASP A 109 26.048 5.893 98.328 1.00 0.00 C ATOM 1662 OD1 ASP A 109 25.817 5.526 99.468 1.00 0.00 O ATOM 1663 OD2 ASP A 109 27.150 6.238 97.933 1.00 0.00 O ATOM 0 H ASP A 109 22.693 4.245 96.357 1.00 0.00 H new ATOM 0 HA ASP A 109 25.629 4.424 95.983 1.00 0.00 H new ATOM 0 HB2 ASP A 109 25.044 6.706 96.595 1.00 0.00 H new ATOM 0 HB3 ASP A 109 23.955 6.155 97.853 1.00 0.00 H new ATOM 1668 N ASN A 110 23.647 2.736 97.831 1.00 0.00 N ATOM 1669 CA ASN A 110 23.633 1.625 98.830 1.00 0.00 C ATOM 1670 C ASN A 110 24.437 0.476 98.225 1.00 0.00 C ATOM 1671 O ASN A 110 24.374 0.211 97.041 1.00 0.00 O ATOM 1672 CB ASN A 110 22.199 1.184 99.174 1.00 0.00 C ATOM 1673 CG ASN A 110 21.546 0.528 97.968 1.00 0.00 C ATOM 1674 OD1 ASN A 110 22.073 0.709 96.803 1.00 0.00 O flip ATOM 1675 ND2 ASN A 110 20.549 -0.156 98.092 1.00 0.00 N flip ATOM 0 H ASN A 110 22.781 2.876 97.310 1.00 0.00 H new ATOM 0 HA ASN A 110 24.075 1.955 99.770 1.00 0.00 H new ATOM 0 HB2 ASN A 110 22.217 0.486 100.011 1.00 0.00 H new ATOM 0 HB3 ASN A 110 21.612 2.046 99.490 1.00 0.00 H new ATOM 0 HD21 ASN A 110 20.138 -0.295 99.015 1.00 0.00 H new ATOM 0 HD22 ASN A 110 20.124 -0.591 97.273 1.00 0.00 H new ATOM 1682 N GLN A 111 25.250 -0.152 99.015 1.00 0.00 N ATOM 1683 CA GLN A 111 26.144 -1.225 98.496 1.00 0.00 C ATOM 1684 C GLN A 111 25.388 -2.518 98.115 1.00 0.00 C ATOM 1685 O GLN A 111 25.997 -3.504 97.752 1.00 0.00 O ATOM 1686 CB GLN A 111 27.205 -1.478 99.571 1.00 0.00 C ATOM 1687 CG GLN A 111 27.882 -2.833 99.389 1.00 0.00 C ATOM 1688 CD GLN A 111 29.138 -2.858 100.256 1.00 0.00 C ATOM 1689 OE1 GLN A 111 30.239 -2.954 99.752 1.00 0.00 O ATOM 1690 NE2 GLN A 111 29.018 -2.758 101.552 1.00 0.00 N ATOM 0 H GLN A 111 25.338 0.032 100.014 1.00 0.00 H new ATOM 0 HA GLN A 111 26.604 -0.898 97.563 1.00 0.00 H new ATOM 0 HB2 GLN A 111 27.956 -0.688 99.534 1.00 0.00 H new ATOM 0 HB3 GLN A 111 26.742 -1.432 100.557 1.00 0.00 H new ATOM 0 HG2 GLN A 111 27.205 -3.638 99.676 1.00 0.00 H new ATOM 0 HG3 GLN A 111 28.140 -2.992 98.342 1.00 0.00 H new ATOM 0 HE21 GLN A 111 28.093 -2.677 101.974 1.00 0.00 H new ATOM 0 HE22 GLN A 111 29.849 -2.760 102.143 1.00 0.00 H new ATOM 1699 N ALA A 112 24.081 -2.527 98.138 1.00 0.00 N ATOM 1700 CA ALA A 112 23.353 -3.767 97.723 1.00 0.00 C ATOM 1701 C ALA A 112 23.218 -3.741 96.201 1.00 0.00 C ATOM 1702 O ALA A 112 23.478 -4.705 95.497 1.00 0.00 O ATOM 1703 CB ALA A 112 21.963 -3.793 98.367 1.00 0.00 C ATOM 0 H ALA A 112 23.492 -1.744 98.421 1.00 0.00 H new ATOM 0 HA ALA A 112 23.899 -4.655 98.043 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.437 -4.698 98.062 1.00 0.00 H new ATOM 0 HB2 ALA A 112 22.065 -3.781 99.452 1.00 0.00 H new ATOM 0 HB3 ALA A 112 21.397 -2.919 98.046 1.00 0.00 H new ATOM 1709 N ILE A 113 22.855 -2.607 95.703 1.00 0.00 N ATOM 1710 CA ILE A 113 22.721 -2.412 94.237 1.00 0.00 C ATOM 1711 C ILE A 113 24.114 -2.450 93.638 1.00 0.00 C ATOM 1712 O ILE A 113 24.410 -3.174 92.697 1.00 0.00 O ATOM 1713 CB ILE A 113 22.159 -1.006 93.998 1.00 0.00 C ATOM 1714 CG1 ILE A 113 20.629 -1.010 94.020 1.00 0.00 C ATOM 1715 CG2 ILE A 113 22.646 -0.476 92.647 1.00 0.00 C ATOM 1716 CD1 ILE A 113 20.121 -1.026 95.465 1.00 0.00 C ATOM 0 H ILE A 113 22.638 -1.781 96.261 1.00 0.00 H new ATOM 0 HA ILE A 113 22.077 -3.175 93.799 1.00 0.00 H new ATOM 0 HB ILE A 113 22.514 -0.360 94.801 1.00 0.00 H new ATOM 0 HG12 ILE A 113 20.248 -0.129 93.503 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.253 -1.882 93.485 1.00 0.00 H new ATOM 0 HG21 ILE A 113 22.244 0.524 92.482 1.00 0.00 H new ATOM 0 HG22 ILE A 113 23.735 -0.434 92.644 1.00 0.00 H new ATOM 0 HG23 ILE A 113 22.306 -1.140 91.852 1.00 0.00 H new ATOM 0 HD11 ILE A 113 19.031 -1.029 95.467 1.00 0.00 H new ATOM 0 HD12 ILE A 113 20.487 -1.920 95.970 1.00 0.00 H new ATOM 0 HD13 ILE A 113 20.483 -0.141 95.988 1.00 0.00 H new ATOM 1728 N LYS A 114 24.962 -1.643 94.184 1.00 0.00 N ATOM 1729 CA LYS A 114 26.336 -1.565 93.680 1.00 0.00 C ATOM 1730 C LYS A 114 26.923 -2.974 93.700 1.00 0.00 C ATOM 1731 O LYS A 114 27.948 -3.244 93.109 1.00 0.00 O ATOM 1732 CB LYS A 114 27.144 -0.583 94.548 1.00 0.00 C ATOM 1733 CG LYS A 114 26.246 0.610 94.967 1.00 0.00 C ATOM 1734 CD LYS A 114 26.656 1.891 94.238 1.00 0.00 C ATOM 1735 CE LYS A 114 26.455 1.731 92.725 1.00 0.00 C ATOM 1736 NZ LYS A 114 27.779 1.534 92.076 1.00 0.00 N ATOM 0 H LYS A 114 24.754 -1.027 94.970 1.00 0.00 H new ATOM 0 HA LYS A 114 26.367 -1.189 92.657 1.00 0.00 H new ATOM 0 HB2 LYS A 114 27.523 -1.093 95.434 1.00 0.00 H new ATOM 0 HB3 LYS A 114 28.010 -0.221 93.994 1.00 0.00 H new ATOM 0 HG2 LYS A 114 25.204 0.380 94.746 1.00 0.00 H new ATOM 0 HG3 LYS A 114 26.317 0.762 96.044 1.00 0.00 H new ATOM 0 HD2 LYS A 114 26.065 2.731 94.603 1.00 0.00 H new ATOM 0 HD3 LYS A 114 27.700 2.120 94.451 1.00 0.00 H new ATOM 0 HE2 LYS A 114 25.805 0.880 92.520 1.00 0.00 H new ATOM 0 HE3 LYS A 114 25.963 2.613 92.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 27.707 0.781 91.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 28.075 2.419 91.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 28.481 1.265 92.794 1.00 0.00 H new ATOM 1750 N ALA A 115 26.247 -3.886 94.354 1.00 0.00 N ATOM 1751 CA ALA A 115 26.726 -5.291 94.384 1.00 0.00 C ATOM 1752 C ALA A 115 26.577 -5.892 92.987 1.00 0.00 C ATOM 1753 O ALA A 115 27.414 -6.650 92.546 1.00 0.00 O ATOM 1754 CB ALA A 115 25.912 -6.120 95.385 1.00 0.00 C ATOM 0 H ALA A 115 25.383 -3.712 94.868 1.00 0.00 H new ATOM 0 HA ALA A 115 27.771 -5.305 94.694 1.00 0.00 H new ATOM 0 HB1 ALA A 115 26.279 -7.146 95.391 1.00 0.00 H new ATOM 0 HB2 ALA A 115 26.016 -5.691 96.382 1.00 0.00 H new ATOM 0 HB3 ALA A 115 24.861 -6.112 95.094 1.00 0.00 H new ATOM 1760 N LEU A 116 25.527 -5.566 92.276 1.00 0.00 N ATOM 1761 CA LEU A 116 25.385 -6.157 90.911 1.00 0.00 C ATOM 1762 C LEU A 116 26.515 -5.634 90.023 1.00 0.00 C ATOM 1763 O LEU A 116 26.890 -6.265 89.054 1.00 0.00 O ATOM 1764 CB LEU A 116 24.023 -5.800 90.295 1.00 0.00 C ATOM 1765 CG LEU A 116 23.089 -7.026 90.293 1.00 0.00 C ATOM 1766 CD1 LEU A 116 21.819 -6.693 89.499 1.00 0.00 C ATOM 1767 CD2 LEU A 116 23.776 -8.239 89.638 1.00 0.00 C ATOM 0 H LEU A 116 24.782 -4.935 92.570 1.00 0.00 H new ATOM 0 HA LEU A 116 25.444 -7.243 90.987 1.00 0.00 H new ATOM 0 HB2 LEU A 116 23.564 -4.988 90.859 1.00 0.00 H new ATOM 0 HB3 LEU A 116 24.162 -5.441 89.275 1.00 0.00 H new ATOM 0 HG LEU A 116 22.843 -7.273 91.326 1.00 0.00 H new ATOM 0 HD11 LEU A 116 21.155 -7.558 89.495 1.00 0.00 H new ATOM 0 HD12 LEU A 116 21.311 -5.848 89.963 1.00 0.00 H new ATOM 0 HD13 LEU A 116 22.087 -6.437 88.474 1.00 0.00 H new ATOM 0 HD21 LEU A 116 23.097 -9.091 89.649 1.00 0.00 H new ATOM 0 HD22 LEU A 116 24.038 -7.997 88.608 1.00 0.00 H new ATOM 0 HD23 LEU A 116 24.680 -8.489 90.193 1.00 0.00 H new ATOM 1779 N LEU A 117 27.104 -4.512 90.358 1.00 0.00 N ATOM 1780 CA LEU A 117 28.234 -4.030 89.525 1.00 0.00 C ATOM 1781 C LEU A 117 29.447 -4.840 89.953 1.00 0.00 C ATOM 1782 O LEU A 117 30.408 -4.989 89.228 1.00 0.00 O ATOM 1783 CB LEU A 117 28.444 -2.516 89.730 1.00 0.00 C ATOM 1784 CG LEU A 117 29.513 -2.217 90.809 1.00 0.00 C ATOM 1785 CD1 LEU A 117 30.909 -2.132 90.173 1.00 0.00 C ATOM 1786 CD2 LEU A 117 29.204 -0.870 91.482 1.00 0.00 C ATOM 0 H LEU A 117 26.855 -3.925 91.154 1.00 0.00 H new ATOM 0 HA LEU A 117 28.045 -4.165 88.460 1.00 0.00 H new ATOM 0 HB2 LEU A 117 28.745 -2.061 88.786 1.00 0.00 H new ATOM 0 HB3 LEU A 117 27.499 -2.055 90.019 1.00 0.00 H new ATOM 0 HG LEU A 117 29.494 -3.022 91.543 1.00 0.00 H new ATOM 0 HD11 LEU A 117 31.649 -1.921 90.945 1.00 0.00 H new ATOM 0 HD12 LEU A 117 31.148 -3.080 89.691 1.00 0.00 H new ATOM 0 HD13 LEU A 117 30.923 -1.334 89.430 1.00 0.00 H new ATOM 0 HD21 LEU A 117 29.958 -0.661 92.241 1.00 0.00 H new ATOM 0 HD22 LEU A 117 29.214 -0.078 90.733 1.00 0.00 H new ATOM 0 HD23 LEU A 117 28.220 -0.914 91.950 1.00 0.00 H new ATOM 1798 N GLN A 118 29.352 -5.420 91.125 1.00 0.00 N ATOM 1799 CA GLN A 118 30.424 -6.306 91.661 1.00 0.00 C ATOM 1800 C GLN A 118 31.752 -6.081 90.929 1.00 0.00 C ATOM 1801 O GLN A 118 31.921 -6.649 89.861 1.00 0.00 O ATOM 1802 CB GLN A 118 29.960 -7.754 91.492 1.00 0.00 C ATOM 1803 CG GLN A 118 30.102 -8.500 92.815 1.00 0.00 C ATOM 1804 CD GLN A 118 29.091 -7.974 93.835 1.00 0.00 C ATOM 1805 OE1 GLN A 118 29.362 -7.023 94.540 1.00 0.00 O ATOM 1806 NE2 GLN A 118 27.930 -8.562 93.948 1.00 0.00 N ATOM 1807 OXT GLN A 118 32.578 -5.350 91.448 1.00 0.00 O ATOM 0 H GLN A 118 28.551 -5.310 91.747 1.00 0.00 H new ATOM 0 HA GLN A 118 30.597 -6.078 92.713 1.00 0.00 H new ATOM 0 HB2 GLN A 118 28.922 -7.776 91.161 1.00 0.00 H new ATOM 0 HB3 GLN A 118 30.551 -8.247 90.721 1.00 0.00 H new ATOM 0 HG2 GLN A 118 29.947 -9.567 92.657 1.00 0.00 H new ATOM 0 HG3 GLN A 118 31.114 -8.379 93.201 1.00 0.00 H new ATOM 0 HE21 GLN A 118 27.703 -9.361 93.356 1.00 0.00 H new ATOM 0 HE22 GLN A 118 27.250 -8.222 94.629 1.00 0.00 H new