USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=24 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 108 THR OG1 : rot 36:sc= 0.195! USER MOD Set 1.2: A 110 ASN :FLIP amide:sc= -16.9! C(o=-22!,f=-17!) USER MOD Set 2.1: A 37 LYS NZ :NH3+ -171:sc= -2.08 (180deg=-1.58) USER MOD Set 2.2: A 67 HIS : no HD1:sc= -1.26 K(o=-3.3,f=-5.3!) USER MOD Set 3.1: A 40 HIS : no HD1:sc= 0.577 K(o=1.6,f=-4!) USER MOD Set 3.2: A 74 SER OG : rot 144:sc= 1.07 USER MOD Set 4.1: A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 12 ASN : amide:sc= -0.921 K(o=-0.92,f=-1.5!) USER MOD Single : A 4 LYS NZ :NH3+ -114:sc= -0.971 (180deg=-3.1!) USER MOD Single : A 7 MET CE :methyl 140:sc= -0.383 (180deg=-3!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= -0.0353 (180deg=-0.0353) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN :FLIP amide:sc= -1.13 F(o=-4.6!,f=-1.1) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0119 USER MOD Single : A 41 TYR OH : rot 180:sc= 0.639 USER MOD Single : A 45 CYS SG : rot 39:sc= -1.49! USER MOD Single : A 47 GLN : amide:sc= -0.318 K(o=-0.32,f=-1.5) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= -0.468 (180deg=-0.468) USER MOD Single : A 62 ASN :FLIP amide:sc= -1.06 F(o=-12!,f=-1.1) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= -0.273 X(o=-0.27,f=-0.031) USER MOD Single : A 70 THR OG1 : rot -164:sc= -11! USER MOD Single : A 77 TYR OH : rot 130:sc= -0.126 USER MOD Single : A 80 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-5.8!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot -148:sc= -8.01! USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -101:sc= 0.13 USER MOD Single : A 90 LYS NZ :NH3+ -158:sc= -0.459 (180deg=-1.12) USER MOD Single : A 94 LYS NZ :NH3+ -145:sc= 0.17 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 150:sc= -2.51 USER MOD Single : A 97 LYS NZ :NH3+ 162:sc=-0.00964 (180deg=-0.415) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.482! USER MOD Single : A 111 GLN : amide:sc= -0.0578 X(o=-0.058,f=0) USER MOD Single : A 114 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0199) USER MOD Single : A 118 GLN :FLIP amide:sc= -3.14! C(o=-3.7!,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 -7.006 -8.561 86.135 1.00 0.00 N ATOM 44 CA LYS A 4 -6.855 -7.978 87.496 1.00 0.00 C ATOM 45 C LYS A 4 -6.277 -9.033 88.444 1.00 0.00 C ATOM 46 O LYS A 4 -5.152 -8.929 88.891 1.00 0.00 O ATOM 47 CB LYS A 4 -8.225 -7.515 87.997 1.00 0.00 C ATOM 48 CG LYS A 4 -8.883 -6.643 86.923 1.00 0.00 C ATOM 49 CD LYS A 4 -10.135 -5.967 87.492 1.00 0.00 C ATOM 50 CE LYS A 4 -11.201 -7.025 87.792 1.00 0.00 C ATOM 51 NZ LYS A 4 -10.990 -7.569 89.163 1.00 0.00 N ATOM 0 HA LYS A 4 -6.177 -7.126 87.461 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.855 -8.376 88.220 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.116 -6.952 88.924 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.179 -5.888 86.574 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.149 -7.253 86.060 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.884 -5.421 88.402 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.522 -5.238 86.780 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.196 -6.587 87.712 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.147 -7.829 87.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.719 -8.571 89.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.233 -7.035 89.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.870 -7.481 89.710 1.00 0.00 H new ATOM 65 N GLU A 5 -7.034 -10.051 88.754 1.00 0.00 N ATOM 66 CA GLU A 5 -6.522 -11.112 89.671 1.00 0.00 C ATOM 67 C GLU A 5 -5.146 -11.588 89.193 1.00 0.00 C ATOM 68 O GLU A 5 -4.356 -12.104 89.958 1.00 0.00 O ATOM 69 CB GLU A 5 -7.493 -12.296 89.676 1.00 0.00 C ATOM 70 CG GLU A 5 -7.152 -13.232 90.837 1.00 0.00 C ATOM 71 CD GLU A 5 -7.534 -12.562 92.158 1.00 0.00 C ATOM 72 OE1 GLU A 5 -8.696 -12.634 92.522 1.00 0.00 O ATOM 73 OE2 GLU A 5 -6.657 -11.989 92.783 1.00 0.00 O ATOM 0 H GLU A 5 -7.984 -10.194 88.413 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.436 -10.705 90.678 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.518 -11.939 89.772 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.431 -12.835 88.730 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -7.687 -14.176 90.727 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.087 -13.466 90.830 1.00 0.00 H new ATOM 80 N PHE A 6 -4.857 -11.425 87.931 1.00 0.00 N ATOM 81 CA PHE A 6 -3.540 -11.872 87.394 1.00 0.00 C ATOM 82 C PHE A 6 -2.434 -10.969 87.950 1.00 0.00 C ATOM 83 O PHE A 6 -1.642 -11.382 88.770 1.00 0.00 O ATOM 84 CB PHE A 6 -3.569 -11.778 85.863 1.00 0.00 C ATOM 85 CG PHE A 6 -2.571 -12.740 85.256 1.00 0.00 C ATOM 86 CD1 PHE A 6 -1.213 -12.662 85.592 1.00 0.00 C ATOM 87 CD2 PHE A 6 -3.007 -13.709 84.343 1.00 0.00 C ATOM 88 CE1 PHE A 6 -0.297 -13.551 85.018 1.00 0.00 C ATOM 89 CE2 PHE A 6 -2.092 -14.595 83.768 1.00 0.00 C ATOM 90 CZ PHE A 6 -0.736 -14.518 84.106 1.00 0.00 C ATOM 0 H PHE A 6 -5.480 -10.999 87.245 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.344 -12.902 87.692 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -4.571 -12.004 85.497 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.338 -10.760 85.550 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -0.873 -11.915 86.294 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -4.053 -13.771 84.083 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.749 -13.491 85.279 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -2.431 -15.339 83.063 1.00 0.00 H new ATOM 0 HZ PHE A 6 -0.029 -15.204 83.664 1.00 0.00 H new ATOM 100 N MET A 7 -2.365 -9.742 87.501 1.00 0.00 N ATOM 101 CA MET A 7 -1.300 -8.826 88.005 1.00 0.00 C ATOM 102 C MET A 7 -1.385 -8.699 89.532 1.00 0.00 C ATOM 103 O MET A 7 -0.382 -8.659 90.212 1.00 0.00 O ATOM 104 CB MET A 7 -1.456 -7.439 87.360 1.00 0.00 C ATOM 105 CG MET A 7 -2.463 -6.596 88.147 1.00 0.00 C ATOM 106 SD MET A 7 -2.971 -5.174 87.149 1.00 0.00 S ATOM 107 CE MET A 7 -3.874 -6.086 85.872 1.00 0.00 C ATOM 0 H MET A 7 -2.997 -9.337 86.811 1.00 0.00 H new ATOM 0 HA MET A 7 -0.328 -9.241 87.739 1.00 0.00 H new ATOM 0 HB2 MET A 7 -0.491 -6.933 87.332 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.789 -7.546 86.328 1.00 0.00 H new ATOM 0 HG2 MET A 7 -3.332 -7.199 88.409 1.00 0.00 H new ATOM 0 HG3 MET A 7 -2.017 -6.257 89.082 1.00 0.00 H new ATOM 0 HE1 MET A 7 -4.780 -5.541 85.607 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.245 -6.195 84.989 1.00 0.00 H new ATOM 0 HE3 MET A 7 -4.142 -7.073 86.250 1.00 0.00 H new ATOM 117 N TRP A 8 -2.570 -8.622 90.078 1.00 0.00 N ATOM 118 CA TRP A 8 -2.697 -8.485 91.557 1.00 0.00 C ATOM 119 C TRP A 8 -1.888 -9.580 92.256 1.00 0.00 C ATOM 120 O TRP A 8 -1.685 -9.546 93.456 1.00 0.00 O ATOM 121 CB TRP A 8 -4.166 -8.603 91.962 1.00 0.00 C ATOM 122 CG TRP A 8 -4.325 -8.078 93.348 1.00 0.00 C ATOM 123 CD1 TRP A 8 -4.311 -8.832 94.470 1.00 0.00 C ATOM 124 CD2 TRP A 8 -4.507 -6.700 93.780 1.00 0.00 C ATOM 125 NE1 TRP A 8 -4.474 -8.004 95.565 1.00 0.00 N ATOM 126 CE2 TRP A 8 -4.600 -6.680 95.191 1.00 0.00 C ATOM 127 CE3 TRP A 8 -4.601 -5.478 93.091 1.00 0.00 C ATOM 128 CZ2 TRP A 8 -4.777 -5.487 95.895 1.00 0.00 C ATOM 129 CZ3 TRP A 8 -4.779 -4.276 93.794 1.00 0.00 C ATOM 130 CH2 TRP A 8 -4.868 -4.281 95.194 1.00 0.00 C ATOM 0 H TRP A 8 -3.452 -8.648 89.566 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.314 -7.509 91.855 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -4.794 -8.041 91.271 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.489 -9.643 91.913 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.192 -9.905 94.505 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -4.498 -8.331 96.531 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -4.536 -5.464 92.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -4.843 -5.496 96.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -4.848 -3.343 93.254 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -5.007 -3.354 95.730 1.00 0.00 H new ATOM 141 N ALA A 9 -1.430 -10.555 91.520 1.00 0.00 N ATOM 142 CA ALA A 9 -0.638 -11.652 92.140 1.00 0.00 C ATOM 143 C ALA A 9 0.850 -11.281 92.150 1.00 0.00 C ATOM 144 O ALA A 9 1.509 -11.366 93.166 1.00 0.00 O ATOM 145 CB ALA A 9 -0.852 -12.953 91.365 1.00 0.00 C ATOM 0 H ALA A 9 -1.571 -10.639 90.513 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.972 -11.796 93.167 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.269 -13.751 91.825 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.909 -13.218 91.385 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.531 -12.818 90.332 1.00 0.00 H new ATOM 151 N LEU A 10 1.381 -10.843 91.038 1.00 0.00 N ATOM 152 CA LEU A 10 2.815 -10.436 91.013 1.00 0.00 C ATOM 153 C LEU A 10 3.003 -9.344 92.077 1.00 0.00 C ATOM 154 O LEU A 10 4.093 -8.861 92.316 1.00 0.00 O ATOM 155 CB LEU A 10 3.171 -9.865 89.625 1.00 0.00 C ATOM 156 CG LEU A 10 3.130 -10.973 88.553 1.00 0.00 C ATOM 157 CD1 LEU A 10 1.773 -10.962 87.837 1.00 0.00 C ATOM 158 CD2 LEU A 10 4.234 -10.726 87.519 1.00 0.00 C ATOM 0 H LEU A 10 0.886 -10.750 90.151 1.00 0.00 H new ATOM 0 HA LEU A 10 3.460 -11.292 91.215 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.471 -9.072 89.362 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.164 -9.417 89.654 1.00 0.00 H new ATOM 0 HG LEU A 10 3.280 -11.937 89.038 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.754 -11.748 87.082 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.978 -11.136 88.562 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.622 -9.995 87.358 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.205 -11.509 86.761 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.078 -9.757 87.045 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.205 -10.736 88.014 1.00 0.00 H new ATOM 170 N LYS A 11 1.912 -8.942 92.684 1.00 0.00 N ATOM 171 CA LYS A 11 1.929 -7.856 93.712 1.00 0.00 C ATOM 172 C LYS A 11 2.147 -8.404 95.135 1.00 0.00 C ATOM 173 O LYS A 11 3.219 -8.289 95.697 1.00 0.00 O ATOM 174 CB LYS A 11 0.575 -7.134 93.649 1.00 0.00 C ATOM 175 CG LYS A 11 0.564 -5.923 94.590 1.00 0.00 C ATOM 176 CD LYS A 11 0.064 -6.343 95.978 1.00 0.00 C ATOM 177 CE LYS A 11 -0.524 -5.129 96.690 1.00 0.00 C ATOM 178 NZ LYS A 11 -0.690 -5.422 98.141 1.00 0.00 N ATOM 0 H LYS A 11 0.987 -9.333 92.504 1.00 0.00 H new ATOM 0 HA LYS A 11 2.758 -7.181 93.497 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.377 -6.809 92.627 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.224 -7.823 93.925 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.567 -5.503 94.667 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.079 -5.142 94.184 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.690 -7.125 95.885 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.885 -6.760 96.562 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.130 -4.267 96.557 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.487 -4.870 96.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.091 -4.590 98.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.331 -6.233 98.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.236 -5.648 98.558 1.00 0.00 H new ATOM 192 N ASN A 12 1.123 -8.948 95.739 1.00 0.00 N ATOM 193 CA ASN A 12 1.251 -9.444 97.145 1.00 0.00 C ATOM 194 C ASN A 12 1.953 -10.797 97.192 1.00 0.00 C ATOM 195 O ASN A 12 1.881 -11.506 98.176 1.00 0.00 O ATOM 196 CB ASN A 12 -0.143 -9.595 97.748 1.00 0.00 C ATOM 197 CG ASN A 12 -0.028 -9.761 99.264 1.00 0.00 C ATOM 198 OD1 ASN A 12 0.025 -10.868 99.762 1.00 0.00 O ATOM 199 ND2 ASN A 12 0.015 -8.701 100.023 1.00 0.00 N ATOM 0 H ASN A 12 0.201 -9.071 95.320 1.00 0.00 H new ATOM 0 HA ASN A 12 1.843 -8.724 97.710 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.749 -8.720 97.512 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.647 -10.459 97.314 1.00 0.00 H new ATOM 0 HD21 ASN A 12 0.093 -8.801 101.035 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.030 -7.772 99.604 1.00 0.00 H new ATOM 206 N GLY A 13 2.646 -11.157 96.160 1.00 0.00 N ATOM 207 CA GLY A 13 3.358 -12.454 96.181 1.00 0.00 C ATOM 208 C GLY A 13 2.371 -13.609 96.069 1.00 0.00 C ATOM 209 O GLY A 13 2.676 -14.724 96.441 1.00 0.00 O ATOM 0 H GLY A 13 2.751 -10.612 95.304 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.071 -12.497 95.358 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.931 -12.546 97.104 1.00 0.00 H new ATOM 213 N ASP A 14 1.201 -13.374 95.542 1.00 0.00 N ATOM 214 CA ASP A 14 0.244 -14.496 95.390 1.00 0.00 C ATOM 215 C ASP A 14 0.816 -15.416 94.325 1.00 0.00 C ATOM 216 O ASP A 14 0.187 -15.758 93.344 1.00 0.00 O ATOM 217 CB ASP A 14 -1.122 -13.978 94.968 1.00 0.00 C ATOM 218 CG ASP A 14 -1.362 -12.607 95.600 1.00 0.00 C ATOM 219 OD1 ASP A 14 -0.535 -11.735 95.402 1.00 0.00 O ATOM 220 OD2 ASP A 14 -2.366 -12.456 96.277 1.00 0.00 O ATOM 0 H ASP A 14 0.873 -12.465 95.215 1.00 0.00 H new ATOM 0 HA ASP A 14 0.111 -15.026 96.333 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.176 -13.904 93.882 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.900 -14.675 95.279 1.00 0.00 H new ATOM 225 N LEU A 15 2.038 -15.778 94.541 1.00 0.00 N ATOM 226 CA LEU A 15 2.788 -16.651 93.615 1.00 0.00 C ATOM 227 C LEU A 15 1.922 -17.851 93.220 1.00 0.00 C ATOM 228 O LEU A 15 2.006 -18.363 92.123 1.00 0.00 O ATOM 229 CB LEU A 15 4.056 -17.088 94.368 1.00 0.00 C ATOM 230 CG LEU A 15 5.020 -17.893 93.487 1.00 0.00 C ATOM 231 CD1 LEU A 15 4.583 -19.358 93.440 1.00 0.00 C ATOM 232 CD2 LEU A 15 5.069 -17.317 92.067 1.00 0.00 C ATOM 0 H LEU A 15 2.572 -15.490 95.361 1.00 0.00 H new ATOM 0 HA LEU A 15 3.056 -16.138 92.691 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.570 -16.205 94.749 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.772 -17.689 95.232 1.00 0.00 H new ATOM 0 HG LEU A 15 6.018 -17.828 93.920 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.272 -19.923 92.813 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.588 -19.772 94.448 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.577 -19.425 93.025 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.759 -17.903 91.460 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.074 -17.355 91.624 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.409 -16.282 92.106 1.00 0.00 H new ATOM 244 N ASP A 16 1.082 -18.291 94.104 1.00 0.00 N ATOM 245 CA ASP A 16 0.194 -19.440 93.802 1.00 0.00 C ATOM 246 C ASP A 16 -0.784 -19.062 92.682 1.00 0.00 C ATOM 247 O ASP A 16 -1.247 -19.903 91.935 1.00 0.00 O ATOM 248 CB ASP A 16 -0.581 -19.786 95.069 1.00 0.00 C ATOM 249 CG ASP A 16 0.401 -19.951 96.232 1.00 0.00 C ATOM 250 OD1 ASP A 16 1.587 -19.771 96.007 1.00 0.00 O ATOM 251 OD2 ASP A 16 -0.048 -20.253 97.325 1.00 0.00 O ATOM 0 H ASP A 16 0.970 -17.898 95.038 1.00 0.00 H new ATOM 0 HA ASP A 16 0.784 -20.296 93.474 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.301 -19.000 95.295 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.148 -20.706 94.923 1.00 0.00 H new ATOM 256 N GLU A 17 -1.114 -17.801 92.573 1.00 0.00 N ATOM 257 CA GLU A 17 -2.076 -17.360 91.512 1.00 0.00 C ATOM 258 C GLU A 17 -1.368 -17.249 90.152 1.00 0.00 C ATOM 259 O GLU A 17 -1.851 -17.751 89.154 1.00 0.00 O ATOM 260 CB GLU A 17 -2.669 -16.001 91.890 1.00 0.00 C ATOM 261 CG GLU A 17 -3.771 -16.192 92.934 1.00 0.00 C ATOM 262 CD GLU A 17 -4.395 -14.836 93.268 1.00 0.00 C ATOM 263 OE1 GLU A 17 -3.913 -13.841 92.751 1.00 0.00 O ATOM 264 OE2 GLU A 17 -5.344 -14.815 94.034 1.00 0.00 O ATOM 0 H GLU A 17 -0.760 -17.055 93.172 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.871 -18.101 91.434 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.889 -15.350 92.285 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.074 -15.511 91.005 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.533 -16.872 92.554 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.359 -16.647 93.835 1.00 0.00 H new ATOM 271 N VAL A 18 -0.230 -16.604 90.093 1.00 0.00 N ATOM 272 CA VAL A 18 0.481 -16.486 88.779 1.00 0.00 C ATOM 273 C VAL A 18 0.896 -17.884 88.340 1.00 0.00 C ATOM 274 O VAL A 18 0.875 -18.219 87.171 1.00 0.00 O ATOM 275 CB VAL A 18 1.760 -15.640 88.933 1.00 0.00 C ATOM 276 CG1 VAL A 18 1.542 -14.222 88.394 1.00 0.00 C ATOM 277 CG2 VAL A 18 2.156 -15.579 90.412 1.00 0.00 C ATOM 0 H VAL A 18 0.234 -16.159 90.885 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.181 -16.014 88.053 1.00 0.00 H new ATOM 0 HB VAL A 18 2.560 -16.106 88.358 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.458 -13.643 88.513 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.278 -14.271 87.338 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.735 -13.742 88.948 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.061 -14.981 90.522 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.349 -15.125 90.986 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.341 -16.588 90.781 1.00 0.00 H new ATOM 287 N LYS A 19 1.284 -18.691 89.288 1.00 0.00 N ATOM 288 CA LYS A 19 1.720 -20.078 88.985 1.00 0.00 C ATOM 289 C LYS A 19 0.604 -20.825 88.257 1.00 0.00 C ATOM 290 O LYS A 19 0.851 -21.692 87.445 1.00 0.00 O ATOM 291 CB LYS A 19 2.045 -20.792 90.301 1.00 0.00 C ATOM 292 CG LYS A 19 2.695 -22.150 90.018 1.00 0.00 C ATOM 293 CD LYS A 19 3.503 -22.596 91.244 1.00 0.00 C ATOM 294 CE LYS A 19 4.917 -22.019 91.162 1.00 0.00 C ATOM 295 NZ LYS A 19 5.714 -22.500 92.321 1.00 0.00 N ATOM 0 H LYS A 19 1.317 -18.441 90.276 1.00 0.00 H new ATOM 0 HA LYS A 19 2.603 -20.055 88.347 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.716 -20.177 90.901 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.134 -20.931 90.883 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.929 -22.890 89.785 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.346 -22.079 89.146 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.014 -22.258 92.158 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.545 -23.684 91.289 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.392 -22.322 90.229 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.878 -20.930 91.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.676 -22.109 92.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.263 -22.190 93.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.761 -23.539 92.303 1.00 0.00 H new ATOM 309 N ASP A 20 -0.621 -20.496 88.543 1.00 0.00 N ATOM 310 CA ASP A 20 -1.756 -21.188 87.872 1.00 0.00 C ATOM 311 C ASP A 20 -1.736 -20.875 86.375 1.00 0.00 C ATOM 312 O ASP A 20 -1.721 -21.764 85.546 1.00 0.00 O ATOM 313 CB ASP A 20 -3.080 -20.710 88.473 1.00 0.00 C ATOM 314 CG ASP A 20 -4.224 -21.567 87.926 1.00 0.00 C ATOM 315 OD1 ASP A 20 -3.993 -22.739 87.678 1.00 0.00 O ATOM 316 OD2 ASP A 20 -5.311 -21.037 87.764 1.00 0.00 O ATOM 0 H ASP A 20 -0.888 -19.776 89.214 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.658 -22.263 88.020 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.045 -20.781 89.560 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.246 -19.661 88.227 1.00 0.00 H new ATOM 321 N TYR A 21 -1.738 -19.621 86.016 1.00 0.00 N ATOM 322 CA TYR A 21 -1.720 -19.269 84.566 1.00 0.00 C ATOM 323 C TYR A 21 -0.410 -19.747 83.933 1.00 0.00 C ATOM 324 O TYR A 21 -0.403 -20.350 82.881 1.00 0.00 O ATOM 325 CB TYR A 21 -1.857 -17.754 84.408 1.00 0.00 C ATOM 326 CG TYR A 21 -3.271 -17.358 84.759 1.00 0.00 C ATOM 327 CD1 TYR A 21 -4.260 -17.343 83.769 1.00 0.00 C ATOM 328 CD2 TYR A 21 -3.596 -17.020 86.078 1.00 0.00 C ATOM 329 CE1 TYR A 21 -5.574 -16.990 84.097 1.00 0.00 C ATOM 330 CE2 TYR A 21 -4.909 -16.669 86.408 1.00 0.00 C ATOM 331 CZ TYR A 21 -5.899 -16.652 85.417 1.00 0.00 C ATOM 332 OH TYR A 21 -7.195 -16.308 85.741 1.00 0.00 O ATOM 0 H TYR A 21 -1.751 -18.829 86.658 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.554 -19.759 84.063 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.148 -17.240 85.058 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.624 -17.458 83.385 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.009 -17.604 82.751 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.832 -17.030 86.841 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.337 -16.978 83.333 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.160 -16.411 87.426 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.250 -16.103 86.698 1.00 0.00 H new ATOM 342 N VAL A 22 0.697 -19.484 84.568 1.00 0.00 N ATOM 343 CA VAL A 22 2.006 -19.925 84.010 1.00 0.00 C ATOM 344 C VAL A 22 2.116 -21.449 84.098 1.00 0.00 C ATOM 345 O VAL A 22 2.810 -22.074 83.319 1.00 0.00 O ATOM 346 CB VAL A 22 3.137 -19.257 84.791 1.00 0.00 C ATOM 347 CG1 VAL A 22 4.478 -19.879 84.394 1.00 0.00 C ATOM 348 CG2 VAL A 22 3.149 -17.763 84.454 1.00 0.00 C ATOM 0 H VAL A 22 0.752 -18.980 85.453 1.00 0.00 H new ATOM 0 HA VAL A 22 2.080 -19.633 82.962 1.00 0.00 H new ATOM 0 HB VAL A 22 2.982 -19.399 85.860 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.281 -19.400 84.953 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.465 -20.945 84.619 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.644 -19.736 83.326 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.952 -17.272 85.004 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.310 -17.633 83.384 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.193 -17.319 84.733 1.00 0.00 H new ATOM 358 N ALA A 23 1.425 -22.059 85.025 1.00 0.00 N ATOM 359 CA ALA A 23 1.487 -23.541 85.129 1.00 0.00 C ATOM 360 C ALA A 23 0.961 -24.126 83.822 1.00 0.00 C ATOM 361 O ALA A 23 1.217 -25.264 83.482 1.00 0.00 O ATOM 362 CB ALA A 23 0.606 -24.025 86.288 1.00 0.00 C ATOM 0 H ALA A 23 0.825 -21.597 85.709 1.00 0.00 H new ATOM 0 HA ALA A 23 2.513 -23.859 85.312 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.658 -25.112 86.356 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.959 -23.586 87.221 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.426 -23.722 86.112 1.00 0.00 H new ATOM 368 N LYS A 24 0.228 -23.339 83.086 1.00 0.00 N ATOM 369 CA LYS A 24 -0.328 -23.814 81.796 1.00 0.00 C ATOM 370 C LYS A 24 0.809 -24.247 80.870 1.00 0.00 C ATOM 371 O LYS A 24 1.105 -25.419 80.748 1.00 0.00 O ATOM 372 CB LYS A 24 -1.122 -22.684 81.151 1.00 0.00 C ATOM 373 CG LYS A 24 -2.375 -22.415 81.986 1.00 0.00 C ATOM 374 CD LYS A 24 -3.268 -21.419 81.253 1.00 0.00 C ATOM 375 CE LYS A 24 -4.665 -21.437 81.874 1.00 0.00 C ATOM 376 NZ LYS A 24 -5.492 -20.347 81.284 1.00 0.00 N ATOM 0 H LYS A 24 -0.010 -22.377 83.329 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.983 -24.667 81.970 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.511 -21.783 81.088 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.400 -22.953 80.132 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.916 -23.345 82.161 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.097 -22.020 82.963 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.843 -20.417 81.316 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.325 -21.675 80.195 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.139 -22.402 81.698 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.595 -21.309 82.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.441 -20.363 81.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.043 -19.429 81.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.570 -20.488 80.257 1.00 0.00 H new ATOM 390 N GLY A 25 1.451 -23.322 80.209 1.00 0.00 N ATOM 391 CA GLY A 25 2.557 -23.723 79.294 1.00 0.00 C ATOM 392 C GLY A 25 3.452 -22.534 78.927 1.00 0.00 C ATOM 393 O GLY A 25 3.187 -21.807 77.992 1.00 0.00 O ATOM 0 H GLY A 25 1.262 -22.321 80.261 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.159 -24.498 79.769 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.138 -24.157 78.386 1.00 0.00 H new ATOM 397 N GLU A 26 4.528 -22.369 79.648 1.00 0.00 N ATOM 398 CA GLU A 26 5.505 -21.267 79.368 1.00 0.00 C ATOM 399 C GLU A 26 4.834 -20.054 78.709 1.00 0.00 C ATOM 400 O GLU A 26 4.972 -19.819 77.525 1.00 0.00 O ATOM 401 CB GLU A 26 6.661 -21.782 78.490 1.00 0.00 C ATOM 402 CG GLU A 26 6.159 -22.777 77.436 1.00 0.00 C ATOM 403 CD GLU A 26 5.413 -22.032 76.328 1.00 0.00 C ATOM 404 OE1 GLU A 26 5.965 -21.076 75.809 1.00 0.00 O ATOM 405 OE2 GLU A 26 4.305 -22.434 76.013 1.00 0.00 O ATOM 0 H GLU A 26 4.780 -22.963 80.438 1.00 0.00 H new ATOM 0 HA GLU A 26 5.904 -20.937 80.327 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.148 -20.941 77.997 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.412 -22.262 79.118 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.000 -23.327 77.014 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.500 -23.510 77.901 1.00 0.00 H new ATOM 412 N ASP A 27 4.145 -19.261 79.482 1.00 0.00 N ATOM 413 CA ASP A 27 3.498 -18.032 78.930 1.00 0.00 C ATOM 414 C ASP A 27 4.028 -16.833 79.710 1.00 0.00 C ATOM 415 O ASP A 27 3.318 -15.885 79.982 1.00 0.00 O ATOM 416 CB ASP A 27 1.982 -18.118 79.109 1.00 0.00 C ATOM 417 CG ASP A 27 1.478 -19.453 78.563 1.00 0.00 C ATOM 418 OD1 ASP A 27 1.471 -20.412 79.315 1.00 0.00 O ATOM 419 OD2 ASP A 27 1.107 -19.493 77.402 1.00 0.00 O ATOM 0 H ASP A 27 4.000 -19.411 80.480 1.00 0.00 H new ATOM 0 HA ASP A 27 3.723 -17.933 77.868 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.724 -18.024 80.164 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.496 -17.293 78.587 1.00 0.00 H new ATOM 424 N VAL A 28 5.272 -16.885 80.096 1.00 0.00 N ATOM 425 CA VAL A 28 5.865 -15.773 80.889 1.00 0.00 C ATOM 426 C VAL A 28 6.601 -14.788 79.974 1.00 0.00 C ATOM 427 O VAL A 28 7.798 -14.605 80.073 1.00 0.00 O ATOM 428 CB VAL A 28 6.842 -16.370 81.899 1.00 0.00 C ATOM 429 CG1 VAL A 28 6.056 -17.175 82.934 1.00 0.00 C ATOM 430 CG2 VAL A 28 7.824 -17.298 81.174 1.00 0.00 C ATOM 0 H VAL A 28 5.908 -17.656 79.894 1.00 0.00 H new ATOM 0 HA VAL A 28 5.072 -15.229 81.403 1.00 0.00 H new ATOM 0 HB VAL A 28 7.396 -15.571 82.392 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.746 -17.606 83.660 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.352 -16.520 83.447 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.509 -17.975 82.434 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.522 -17.724 81.895 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.272 -18.101 80.685 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.377 -16.730 80.426 1.00 0.00 H new ATOM 440 N ASN A 29 5.889 -14.138 79.101 1.00 0.00 N ATOM 441 CA ASN A 29 6.526 -13.155 78.195 1.00 0.00 C ATOM 442 C ASN A 29 5.426 -12.437 77.417 1.00 0.00 C ATOM 443 O ASN A 29 5.592 -12.068 76.272 1.00 0.00 O ATOM 444 CB ASN A 29 7.476 -13.870 77.233 1.00 0.00 C ATOM 445 CG ASN A 29 6.851 -15.180 76.759 1.00 0.00 C ATOM 446 OD1 ASN A 29 6.811 -16.202 77.568 1.00 0.00 O flip ATOM 447 ND2 ASN A 29 6.397 -15.278 75.637 1.00 0.00 N flip ATOM 0 H ASN A 29 4.883 -14.249 78.977 1.00 0.00 H new ATOM 0 HA ASN A 29 7.105 -12.433 78.771 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.691 -13.229 76.378 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.426 -14.069 77.728 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.427 -14.480 75.003 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.985 -16.159 75.329 1.00 0.00 H new ATOM 454 N ARG A 30 4.300 -12.230 78.050 1.00 0.00 N ATOM 455 CA ARG A 30 3.171 -11.527 77.386 1.00 0.00 C ATOM 456 C ARG A 30 3.051 -10.124 77.982 1.00 0.00 C ATOM 457 O ARG A 30 3.384 -9.898 79.128 1.00 0.00 O ATOM 458 CB ARG A 30 1.868 -12.293 77.639 1.00 0.00 C ATOM 459 CG ARG A 30 1.915 -12.958 79.018 1.00 0.00 C ATOM 460 CD ARG A 30 0.523 -13.499 79.377 1.00 0.00 C ATOM 461 NE ARG A 30 0.056 -12.873 80.654 1.00 0.00 N ATOM 462 CZ ARG A 30 0.805 -12.879 81.725 1.00 0.00 C ATOM 463 NH1 ARG A 30 1.926 -13.548 81.738 1.00 0.00 N ATOM 464 NH2 ARG A 30 0.414 -12.243 82.796 1.00 0.00 N ATOM 0 H ARG A 30 4.117 -12.523 79.010 1.00 0.00 H new ATOM 0 HA ARG A 30 3.352 -11.468 76.313 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.019 -11.612 77.582 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.723 -13.048 76.866 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.642 -13.770 79.017 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.241 -12.238 79.769 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.181 -13.281 78.574 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.559 -14.583 79.483 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.864 -12.434 80.689 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.219 -14.068 80.911 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.509 -13.551 82.575 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.475 -11.743 82.796 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.997 -12.247 83.633 1.00 0.00 H new ATOM 478 N THR A 31 2.573 -9.183 77.225 1.00 0.00 N ATOM 479 CA THR A 31 2.431 -7.804 77.774 1.00 0.00 C ATOM 480 C THR A 31 1.473 -7.849 78.965 1.00 0.00 C ATOM 481 O THR A 31 0.272 -7.946 78.815 1.00 0.00 O ATOM 482 CB THR A 31 1.899 -6.847 76.701 1.00 0.00 C ATOM 483 OG1 THR A 31 2.505 -7.152 75.454 1.00 0.00 O ATOM 484 CG2 THR A 31 2.240 -5.406 77.093 1.00 0.00 C ATOM 0 H THR A 31 2.275 -9.303 76.257 1.00 0.00 H new ATOM 0 HA THR A 31 3.406 -7.438 78.095 1.00 0.00 H new ATOM 0 HB THR A 31 0.818 -6.957 76.617 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.164 -6.542 74.767 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.863 -4.723 76.332 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.779 -5.171 78.052 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.322 -5.297 77.174 1.00 0.00 H new ATOM 492 N LEU A 32 2.014 -7.799 80.147 1.00 0.00 N ATOM 493 CA LEU A 32 1.177 -7.857 81.377 1.00 0.00 C ATOM 494 C LEU A 32 -0.098 -7.008 81.214 1.00 0.00 C ATOM 495 O LEU A 32 -1.126 -7.501 80.794 1.00 0.00 O ATOM 496 CB LEU A 32 2.014 -7.342 82.556 1.00 0.00 C ATOM 497 CG LEU A 32 1.675 -8.123 83.828 1.00 0.00 C ATOM 498 CD1 LEU A 32 2.496 -7.569 84.995 1.00 0.00 C ATOM 499 CD2 LEU A 32 0.184 -7.975 84.144 1.00 0.00 C ATOM 0 H LEU A 32 3.017 -7.719 80.317 1.00 0.00 H new ATOM 0 HA LEU A 32 0.866 -8.886 81.559 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.075 -7.445 82.330 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.822 -6.280 82.711 1.00 0.00 H new ATOM 0 HG LEU A 32 1.910 -9.177 83.678 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.257 -8.123 85.903 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.558 -7.674 84.775 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.258 -6.515 85.140 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.053 -8.533 85.050 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.053 -6.922 84.293 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.404 -8.365 83.314 1.00 0.00 H new ATOM 511 N GLU A 33 -0.047 -5.745 81.563 1.00 0.00 N ATOM 512 CA GLU A 33 -1.262 -4.879 81.450 1.00 0.00 C ATOM 513 C GLU A 33 -1.438 -4.384 80.006 1.00 0.00 C ATOM 514 O GLU A 33 -2.430 -4.672 79.367 1.00 0.00 O ATOM 515 CB GLU A 33 -1.117 -3.692 82.412 1.00 0.00 C ATOM 516 CG GLU A 33 -2.010 -2.530 81.967 1.00 0.00 C ATOM 517 CD GLU A 33 -2.248 -1.599 83.157 1.00 0.00 C ATOM 518 OE1 GLU A 33 -1.542 -1.743 84.142 1.00 0.00 O ATOM 519 OE2 GLU A 33 -3.131 -0.763 83.067 1.00 0.00 O ATOM 0 H GLU A 33 0.785 -5.276 81.922 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.147 -5.457 81.715 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.387 -4.000 83.422 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.077 -3.368 82.445 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.538 -1.984 81.151 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.960 -2.909 81.590 1.00 0.00 H new ATOM 526 N GLY A 34 -0.496 -3.641 79.484 1.00 0.00 N ATOM 527 CA GLY A 34 -0.641 -3.145 78.083 1.00 0.00 C ATOM 528 C GLY A 34 0.725 -2.726 77.536 1.00 0.00 C ATOM 529 O GLY A 34 0.899 -2.539 76.348 1.00 0.00 O ATOM 0 H GLY A 34 0.360 -3.359 79.962 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.071 -3.925 77.454 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.328 -2.299 78.056 1.00 0.00 H new ATOM 533 N GLY A 35 1.694 -2.585 78.392 1.00 0.00 N ATOM 534 CA GLY A 35 3.053 -2.188 77.927 1.00 0.00 C ATOM 535 C GLY A 35 4.084 -2.654 78.951 1.00 0.00 C ATOM 536 O GLY A 35 5.159 -2.099 79.062 1.00 0.00 O ATOM 0 H GLY A 35 1.605 -2.728 79.398 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.262 -2.631 76.953 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.108 -1.106 77.803 1.00 0.00 H new ATOM 540 N ARG A 36 3.760 -3.668 79.709 1.00 0.00 N ATOM 541 CA ARG A 36 4.719 -4.174 80.739 1.00 0.00 C ATOM 542 C ARG A 36 4.758 -5.713 80.712 1.00 0.00 C ATOM 543 O ARG A 36 3.908 -6.356 80.135 1.00 0.00 O ATOM 544 CB ARG A 36 4.277 -3.693 82.133 1.00 0.00 C ATOM 545 CG ARG A 36 2.763 -3.413 82.154 1.00 0.00 C ATOM 546 CD ARG A 36 2.510 -1.917 81.925 1.00 0.00 C ATOM 547 NE ARG A 36 3.042 -1.129 83.076 1.00 0.00 N ATOM 548 CZ ARG A 36 3.254 0.155 82.948 1.00 0.00 C ATOM 549 NH1 ARG A 36 2.998 0.748 81.812 1.00 0.00 N ATOM 550 NH2 ARG A 36 3.712 0.847 83.957 1.00 0.00 N ATOM 0 H ARG A 36 2.873 -4.169 79.661 1.00 0.00 H new ATOM 0 HA ARG A 36 5.715 -3.789 80.519 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.523 -4.448 82.879 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.823 -2.789 82.402 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.265 -3.998 81.381 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.340 -3.721 83.110 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.990 -1.596 81.001 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.442 -1.733 81.810 1.00 0.00 H new ATOM 0 HE ARG A 36 3.240 -1.592 83.963 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.633 0.209 81.026 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.163 1.749 81.711 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.905 0.386 84.846 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.877 1.848 83.856 1.00 0.00 H new ATOM 564 N LYS A 37 5.744 -6.305 81.348 1.00 0.00 N ATOM 565 CA LYS A 37 5.849 -7.801 81.381 1.00 0.00 C ATOM 566 C LYS A 37 5.622 -8.270 82.831 1.00 0.00 C ATOM 567 O LYS A 37 5.684 -7.469 83.741 1.00 0.00 O ATOM 568 CB LYS A 37 7.245 -8.235 80.895 1.00 0.00 C ATOM 569 CG LYS A 37 8.202 -7.036 80.902 1.00 0.00 C ATOM 570 CD LYS A 37 8.477 -6.598 82.345 1.00 0.00 C ATOM 571 CE LYS A 37 9.163 -5.229 82.349 1.00 0.00 C ATOM 572 NZ LYS A 37 10.060 -5.114 81.166 1.00 0.00 N ATOM 0 H LYS A 37 6.484 -5.813 81.848 1.00 0.00 H new ATOM 0 HA LYS A 37 5.101 -8.247 80.726 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.634 -9.024 81.539 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.176 -8.649 79.889 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.137 -7.303 80.409 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.769 -6.210 80.338 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.543 -6.549 82.904 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.109 -7.333 82.844 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.415 -4.437 82.329 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.737 -5.102 83.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.637 -4.253 81.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.683 -5.945 81.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.487 -5.063 80.300 1.00 0.00 H new ATOM 586 N PRO A 38 5.338 -9.541 83.014 1.00 0.00 N ATOM 587 CA PRO A 38 5.073 -10.097 84.365 1.00 0.00 C ATOM 588 C PRO A 38 6.356 -10.206 85.218 1.00 0.00 C ATOM 589 O PRO A 38 6.515 -11.146 85.972 1.00 0.00 O ATOM 590 CB PRO A 38 4.511 -11.503 84.089 1.00 0.00 C ATOM 591 CG PRO A 38 4.774 -11.825 82.594 1.00 0.00 C ATOM 592 CD PRO A 38 5.243 -10.527 81.913 1.00 0.00 C ATOM 0 HA PRO A 38 4.396 -9.456 84.930 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.992 -12.241 84.731 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.444 -11.539 84.307 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.531 -12.603 82.498 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.868 -12.201 82.118 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.205 -10.664 81.419 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.536 -10.202 81.150 1.00 0.00 H new ATOM 600 N LEU A 39 7.272 -9.271 85.117 1.00 0.00 N ATOM 601 CA LEU A 39 8.534 -9.365 85.934 1.00 0.00 C ATOM 602 C LEU A 39 8.766 -8.062 86.711 1.00 0.00 C ATOM 603 O LEU A 39 9.565 -8.010 87.623 1.00 0.00 O ATOM 604 CB LEU A 39 9.722 -9.603 84.982 1.00 0.00 C ATOM 605 CG LEU A 39 11.030 -9.972 85.734 1.00 0.00 C ATOM 606 CD1 LEU A 39 10.744 -10.791 86.999 1.00 0.00 C ATOM 607 CD2 LEU A 39 11.929 -10.795 84.797 1.00 0.00 C ATOM 0 H LEU A 39 7.206 -8.453 84.511 1.00 0.00 H new ATOM 0 HA LEU A 39 8.442 -10.187 86.644 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.470 -10.403 84.286 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.891 -8.705 84.387 1.00 0.00 H new ATOM 0 HG LEU A 39 11.523 -9.047 86.033 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.683 -11.030 87.498 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.113 -10.212 87.673 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.233 -11.714 86.727 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.850 -11.059 85.316 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.407 -11.704 84.498 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.167 -10.206 83.911 1.00 0.00 H new ATOM 619 N HIS A 40 8.096 -7.008 86.344 1.00 0.00 N ATOM 620 CA HIS A 40 8.307 -5.703 87.045 1.00 0.00 C ATOM 621 C HIS A 40 7.587 -5.681 88.399 1.00 0.00 C ATOM 622 O HIS A 40 8.186 -5.407 89.420 1.00 0.00 O ATOM 623 CB HIS A 40 7.772 -4.570 86.171 1.00 0.00 C ATOM 624 CG HIS A 40 8.007 -3.257 86.863 1.00 0.00 C ATOM 625 ND1 HIS A 40 9.159 -2.512 86.664 1.00 0.00 N ATOM 626 CD2 HIS A 40 7.249 -2.543 87.756 1.00 0.00 C ATOM 627 CE1 HIS A 40 9.062 -1.405 87.422 1.00 0.00 C ATOM 628 NE2 HIS A 40 7.917 -1.374 88.108 1.00 0.00 N ATOM 0 H HIS A 40 7.410 -6.989 85.589 1.00 0.00 H new ATOM 0 HA HIS A 40 9.375 -5.574 87.220 1.00 0.00 H new ATOM 0 HB2 HIS A 40 8.269 -4.577 85.201 1.00 0.00 H new ATOM 0 HB3 HIS A 40 6.707 -4.711 85.984 1.00 0.00 H new ATOM 0 HD2 HIS A 40 6.281 -2.843 88.129 1.00 0.00 H new ATOM 0 HE1 HIS A 40 9.818 -0.635 87.470 1.00 0.00 H new ATOM 0 HE2 HIS A 40 7.600 -0.649 88.752 1.00 0.00 H new ATOM 636 N TYR A 41 6.313 -5.958 88.424 1.00 0.00 N ATOM 637 CA TYR A 41 5.578 -5.941 89.722 1.00 0.00 C ATOM 638 C TYR A 41 6.125 -7.058 90.594 1.00 0.00 C ATOM 639 O TYR A 41 6.264 -6.921 91.793 1.00 0.00 O ATOM 640 CB TYR A 41 4.092 -6.163 89.465 1.00 0.00 C ATOM 641 CG TYR A 41 3.670 -5.250 88.347 1.00 0.00 C ATOM 642 CD1 TYR A 41 3.960 -5.588 87.020 1.00 0.00 C ATOM 643 CD2 TYR A 41 3.014 -4.051 88.637 1.00 0.00 C ATOM 644 CE1 TYR A 41 3.594 -4.725 85.986 1.00 0.00 C ATOM 645 CE2 TYR A 41 2.643 -3.190 87.602 1.00 0.00 C ATOM 646 CZ TYR A 41 2.934 -3.526 86.276 1.00 0.00 C ATOM 647 OH TYR A 41 2.575 -2.673 85.254 1.00 0.00 O ATOM 0 H TYR A 41 5.750 -6.194 87.607 1.00 0.00 H new ATOM 0 HA TYR A 41 5.709 -4.981 90.222 1.00 0.00 H new ATOM 0 HB2 TYR A 41 3.903 -7.203 89.199 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.515 -5.954 90.366 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.466 -6.515 86.797 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.794 -3.790 89.662 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.820 -4.983 84.962 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.132 -2.265 87.825 1.00 0.00 H new ATOM 0 HH TYR A 41 2.125 -1.887 85.627 1.00 0.00 H new ATOM 657 N ALA A 42 6.470 -8.152 89.987 1.00 0.00 N ATOM 658 CA ALA A 42 7.048 -9.270 90.761 1.00 0.00 C ATOM 659 C ALA A 42 8.411 -8.809 91.263 1.00 0.00 C ATOM 660 O ALA A 42 8.686 -8.811 92.443 1.00 0.00 O ATOM 661 CB ALA A 42 7.203 -10.488 89.846 1.00 0.00 C ATOM 0 H ALA A 42 6.375 -8.318 88.985 1.00 0.00 H new ATOM 0 HA ALA A 42 6.409 -9.549 91.599 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.629 -11.316 90.412 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.227 -10.778 89.458 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.864 -10.238 89.016 1.00 0.00 H new ATOM 667 N ALA A 43 9.257 -8.378 90.374 1.00 0.00 N ATOM 668 CA ALA A 43 10.587 -7.880 90.804 1.00 0.00 C ATOM 669 C ALA A 43 10.377 -6.747 91.811 1.00 0.00 C ATOM 670 O ALA A 43 10.805 -6.816 92.947 1.00 0.00 O ATOM 671 CB ALA A 43 11.335 -7.328 89.585 1.00 0.00 C ATOM 0 H ALA A 43 9.084 -8.349 89.369 1.00 0.00 H new ATOM 0 HA ALA A 43 11.163 -8.688 91.255 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.313 -6.960 89.894 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.462 -8.120 88.847 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.762 -6.511 89.146 1.00 0.00 H new ATOM 677 N ASP A 44 9.722 -5.701 91.388 1.00 0.00 N ATOM 678 CA ASP A 44 9.472 -4.532 92.279 1.00 0.00 C ATOM 679 C ASP A 44 8.828 -4.952 93.609 1.00 0.00 C ATOM 680 O ASP A 44 9.114 -4.378 94.641 1.00 0.00 O ATOM 681 CB ASP A 44 8.539 -3.557 91.563 1.00 0.00 C ATOM 682 CG ASP A 44 8.389 -2.283 92.396 1.00 0.00 C ATOM 683 OD1 ASP A 44 8.055 -2.399 93.564 1.00 0.00 O ATOM 684 OD2 ASP A 44 8.609 -1.215 91.851 1.00 0.00 O ATOM 0 H ASP A 44 9.343 -5.605 90.446 1.00 0.00 H new ATOM 0 HA ASP A 44 10.432 -4.065 92.502 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.937 -3.314 90.578 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.564 -4.019 91.408 1.00 0.00 H new ATOM 689 N CYS A 45 7.952 -5.923 93.607 1.00 0.00 N ATOM 690 CA CYS A 45 7.295 -6.322 94.890 1.00 0.00 C ATOM 691 C CYS A 45 6.709 -7.724 94.769 1.00 0.00 C ATOM 692 O CYS A 45 5.524 -7.929 94.938 1.00 0.00 O ATOM 693 CB CYS A 45 6.153 -5.351 95.199 1.00 0.00 C ATOM 694 SG CYS A 45 6.827 -3.747 95.696 1.00 0.00 S ATOM 0 H CYS A 45 7.665 -6.452 92.784 1.00 0.00 H new ATOM 0 HA CYS A 45 8.041 -6.302 95.684 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.517 -5.232 94.321 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.526 -5.754 95.994 1.00 0.00 H new ATOM 0 HG CYS A 45 7.868 -3.470 94.969 1.00 0.00 H new ATOM 700 N GLY A 46 7.528 -8.693 94.493 1.00 0.00 N ATOM 701 CA GLY A 46 7.018 -10.091 94.379 1.00 0.00 C ATOM 702 C GLY A 46 7.582 -10.918 95.529 1.00 0.00 C ATOM 703 O GLY A 46 7.848 -12.097 95.384 1.00 0.00 O ATOM 0 H GLY A 46 8.530 -8.582 94.340 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.928 -10.098 94.408 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.314 -10.523 93.423 1.00 0.00 H new ATOM 707 N GLN A 47 7.798 -10.310 96.668 1.00 0.00 N ATOM 708 CA GLN A 47 8.381 -11.069 97.805 1.00 0.00 C ATOM 709 C GLN A 47 9.663 -11.726 97.288 1.00 0.00 C ATOM 710 O GLN A 47 10.249 -12.585 97.915 1.00 0.00 O ATOM 711 CB GLN A 47 7.374 -12.113 98.302 1.00 0.00 C ATOM 712 CG GLN A 47 5.993 -11.455 98.425 1.00 0.00 C ATOM 713 CD GLN A 47 6.091 -10.206 99.307 1.00 0.00 C ATOM 714 OE1 GLN A 47 6.853 -10.177 100.253 1.00 0.00 O ATOM 715 NE2 GLN A 47 5.348 -9.166 99.035 1.00 0.00 N ATOM 0 H GLN A 47 7.596 -9.328 96.855 1.00 0.00 H new ATOM 0 HA GLN A 47 8.610 -10.419 98.649 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.330 -12.954 97.610 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.689 -12.511 99.267 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.619 -11.186 97.437 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.281 -12.160 98.854 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.708 -9.190 98.241 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.408 -8.330 99.617 1.00 0.00 H new ATOM 724 N LEU A 48 10.101 -11.268 96.141 1.00 0.00 N ATOM 725 CA LEU A 48 11.353 -11.769 95.513 1.00 0.00 C ATOM 726 C LEU A 48 11.257 -13.257 95.163 1.00 0.00 C ATOM 727 O LEU A 48 12.231 -13.883 94.787 1.00 0.00 O ATOM 728 CB LEU A 48 12.520 -11.505 96.454 1.00 0.00 C ATOM 729 CG LEU A 48 12.911 -10.002 96.449 1.00 0.00 C ATOM 730 CD1 LEU A 48 12.030 -9.176 95.495 1.00 0.00 C ATOM 731 CD2 LEU A 48 12.775 -9.427 97.865 1.00 0.00 C ATOM 0 H LEU A 48 9.624 -10.545 95.602 1.00 0.00 H new ATOM 0 HA LEU A 48 11.512 -11.236 94.575 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.253 -11.811 97.465 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.377 -12.108 96.154 1.00 0.00 H new ATOM 0 HG LEU A 48 13.943 -9.938 96.103 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.341 -8.132 95.525 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.137 -9.557 94.479 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.987 -9.254 95.804 1.00 0.00 H new ATOM 0 HD21 LEU A 48 13.050 -8.372 97.857 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.744 -9.530 98.202 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.434 -9.969 98.543 1.00 0.00 H new ATOM 743 N GLU A 49 10.086 -13.816 95.244 1.00 0.00 N ATOM 744 CA GLU A 49 9.891 -15.244 94.877 1.00 0.00 C ATOM 745 C GLU A 49 9.272 -15.321 93.484 1.00 0.00 C ATOM 746 O GLU A 49 9.612 -16.165 92.677 1.00 0.00 O ATOM 747 CB GLU A 49 8.943 -15.911 95.863 1.00 0.00 C ATOM 748 CG GLU A 49 9.346 -15.570 97.292 1.00 0.00 C ATOM 749 CD GLU A 49 8.587 -16.476 98.264 1.00 0.00 C ATOM 750 OE1 GLU A 49 8.620 -17.680 98.070 1.00 0.00 O ATOM 751 OE2 GLU A 49 7.987 -15.949 99.185 1.00 0.00 O ATOM 0 H GLU A 49 9.241 -13.336 95.554 1.00 0.00 H new ATOM 0 HA GLU A 49 10.856 -15.751 94.896 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.921 -15.581 95.677 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.959 -16.992 95.721 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.421 -15.701 97.420 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.125 -14.524 97.504 1.00 0.00 H new ATOM 758 N ILE A 50 8.335 -14.454 93.219 1.00 0.00 N ATOM 759 CA ILE A 50 7.641 -14.461 91.902 1.00 0.00 C ATOM 760 C ILE A 50 8.592 -14.127 90.765 1.00 0.00 C ATOM 761 O ILE A 50 8.459 -14.646 89.679 1.00 0.00 O ATOM 762 CB ILE A 50 6.513 -13.432 91.915 1.00 0.00 C ATOM 763 CG1 ILE A 50 5.673 -13.635 93.201 1.00 0.00 C ATOM 764 CG2 ILE A 50 5.671 -13.606 90.640 1.00 0.00 C ATOM 765 CD1 ILE A 50 4.172 -13.512 92.928 1.00 0.00 C ATOM 0 H ILE A 50 8.017 -13.733 93.867 1.00 0.00 H new ATOM 0 HA ILE A 50 7.247 -15.464 91.740 1.00 0.00 H new ATOM 0 HB ILE A 50 6.902 -12.414 91.923 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.886 -14.617 93.622 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.968 -12.897 93.947 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.861 -12.877 90.637 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.301 -13.453 89.764 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.253 -14.612 90.615 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.620 -13.661 93.856 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.954 -12.520 92.532 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.871 -14.267 92.202 1.00 0.00 H new ATOM 777 N LEU A 51 9.534 -13.260 90.972 1.00 0.00 N ATOM 778 CA LEU A 51 10.436 -12.927 89.846 1.00 0.00 C ATOM 779 C LEU A 51 11.205 -14.182 89.416 1.00 0.00 C ATOM 780 O LEU A 51 11.156 -14.569 88.272 1.00 0.00 O ATOM 781 CB LEU A 51 11.419 -11.772 90.171 1.00 0.00 C ATOM 782 CG LEU A 51 11.631 -11.521 91.678 1.00 0.00 C ATOM 783 CD1 LEU A 51 10.317 -11.133 92.371 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.246 -12.754 92.343 1.00 0.00 C ATOM 0 H LEU A 51 9.717 -12.777 91.851 1.00 0.00 H new ATOM 0 HA LEU A 51 9.811 -12.572 89.027 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.383 -11.992 89.713 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.049 -10.856 89.711 1.00 0.00 H new ATOM 0 HG LEU A 51 12.322 -10.685 91.784 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.501 -10.963 93.432 1.00 0.00 H new ATOM 0 HD12 LEU A 51 9.923 -10.222 91.921 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.592 -11.938 92.253 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.389 -12.561 93.406 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.579 -13.607 92.216 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.209 -12.974 91.881 1.00 0.00 H new ATOM 796 N GLU A 52 11.915 -14.819 90.304 1.00 0.00 N ATOM 797 CA GLU A 52 12.666 -16.041 89.894 1.00 0.00 C ATOM 798 C GLU A 52 11.697 -17.139 89.423 1.00 0.00 C ATOM 799 O GLU A 52 12.076 -18.034 88.693 1.00 0.00 O ATOM 800 CB GLU A 52 13.539 -16.561 91.043 1.00 0.00 C ATOM 801 CG GLU A 52 12.703 -16.795 92.294 1.00 0.00 C ATOM 802 CD GLU A 52 11.852 -18.058 92.121 1.00 0.00 C ATOM 803 OE1 GLU A 52 12.200 -18.875 91.285 1.00 0.00 O ATOM 804 OE2 GLU A 52 10.866 -18.186 92.829 1.00 0.00 O ATOM 0 H GLU A 52 12.009 -14.552 91.284 1.00 0.00 H new ATOM 0 HA GLU A 52 13.319 -15.771 89.064 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.024 -17.491 90.745 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.330 -15.843 91.258 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.353 -16.900 93.163 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.060 -15.935 92.479 1.00 0.00 H new ATOM 811 N PHE A 53 10.454 -17.097 89.843 1.00 0.00 N ATOM 812 CA PHE A 53 9.486 -18.159 89.423 1.00 0.00 C ATOM 813 C PHE A 53 9.291 -18.170 87.907 1.00 0.00 C ATOM 814 O PHE A 53 9.864 -18.966 87.199 1.00 0.00 O ATOM 815 CB PHE A 53 8.120 -17.915 90.061 1.00 0.00 C ATOM 816 CG PHE A 53 7.076 -18.707 89.297 1.00 0.00 C ATOM 817 CD1 PHE A 53 7.258 -20.081 89.085 1.00 0.00 C ATOM 818 CD2 PHE A 53 5.937 -18.068 88.788 1.00 0.00 C ATOM 819 CE1 PHE A 53 6.306 -20.813 88.370 1.00 0.00 C ATOM 820 CE2 PHE A 53 4.983 -18.803 88.073 1.00 0.00 C ATOM 821 CZ PHE A 53 5.169 -20.176 87.864 1.00 0.00 C ATOM 0 H PHE A 53 10.070 -16.377 90.455 1.00 0.00 H new ATOM 0 HA PHE A 53 9.901 -19.113 89.748 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.133 -18.218 91.108 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.878 -16.852 90.040 1.00 0.00 H new ATOM 0 HD1 PHE A 53 8.136 -20.575 89.475 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.795 -17.009 88.947 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.449 -21.871 88.208 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.104 -18.312 87.683 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.434 -20.742 87.312 1.00 0.00 H new ATOM 831 N LEU A 54 8.436 -17.318 87.418 1.00 0.00 N ATOM 832 CA LEU A 54 8.148 -17.297 85.961 1.00 0.00 C ATOM 833 C LEU A 54 9.440 -17.149 85.155 1.00 0.00 C ATOM 834 O LEU A 54 9.495 -17.490 83.991 1.00 0.00 O ATOM 835 CB LEU A 54 7.190 -16.139 85.642 1.00 0.00 C ATOM 836 CG LEU A 54 7.259 -15.049 86.714 1.00 0.00 C ATOM 837 CD1 LEU A 54 8.707 -14.589 86.904 1.00 0.00 C ATOM 838 CD2 LEU A 54 6.400 -13.861 86.269 1.00 0.00 C ATOM 0 H LEU A 54 7.922 -16.631 87.970 1.00 0.00 H new ATOM 0 HA LEU A 54 7.680 -18.241 85.683 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.442 -15.713 84.671 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.170 -16.517 85.570 1.00 0.00 H new ATOM 0 HG LEU A 54 6.888 -15.445 87.659 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.745 -13.813 87.669 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.320 -15.435 87.215 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.088 -14.190 85.964 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.442 -13.078 87.026 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.778 -13.472 85.324 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.368 -14.186 86.140 1.00 0.00 H new ATOM 850 N LEU A 55 10.483 -16.668 85.760 1.00 0.00 N ATOM 851 CA LEU A 55 11.771 -16.528 85.019 1.00 0.00 C ATOM 852 C LEU A 55 12.326 -17.925 84.723 1.00 0.00 C ATOM 853 O LEU A 55 12.793 -18.204 83.634 1.00 0.00 O ATOM 854 CB LEU A 55 12.765 -15.751 85.885 1.00 0.00 C ATOM 855 CG LEU A 55 13.883 -15.153 85.025 1.00 0.00 C ATOM 856 CD1 LEU A 55 14.754 -14.252 85.906 1.00 0.00 C ATOM 857 CD2 LEU A 55 14.755 -16.271 84.438 1.00 0.00 C ATOM 0 H LEU A 55 10.505 -16.365 86.734 1.00 0.00 H new ATOM 0 HA LEU A 55 11.611 -15.992 84.083 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.245 -14.955 86.419 1.00 0.00 H new ATOM 0 HB3 LEU A 55 13.193 -16.413 86.638 1.00 0.00 H new ATOM 0 HG LEU A 55 13.443 -14.579 84.210 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.554 -13.820 85.305 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.143 -13.453 86.325 1.00 0.00 H new ATOM 0 HD13 LEU A 55 15.185 -14.841 86.715 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.546 -15.834 83.829 1.00 0.00 H new ATOM 0 HD22 LEU A 55 15.199 -16.850 85.248 1.00 0.00 H new ATOM 0 HD23 LEU A 55 14.140 -16.925 83.820 1.00 0.00 H new ATOM 869 N LEU A 56 12.262 -18.808 85.686 1.00 0.00 N ATOM 870 CA LEU A 56 12.773 -20.193 85.474 1.00 0.00 C ATOM 871 C LEU A 56 11.995 -20.836 84.324 1.00 0.00 C ATOM 872 O LEU A 56 12.540 -21.581 83.533 1.00 0.00 O ATOM 873 CB LEU A 56 12.655 -21.007 86.780 1.00 0.00 C ATOM 874 CG LEU A 56 11.310 -21.744 86.868 1.00 0.00 C ATOM 875 CD1 LEU A 56 11.434 -23.126 86.212 1.00 0.00 C ATOM 876 CD2 LEU A 56 10.938 -21.928 88.339 1.00 0.00 C ATOM 0 H LEU A 56 11.876 -18.628 86.613 1.00 0.00 H new ATOM 0 HA LEU A 56 13.829 -20.171 85.204 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.470 -21.729 86.834 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.762 -20.340 87.636 1.00 0.00 H new ATOM 0 HG LEU A 56 10.544 -21.163 86.355 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.478 -23.646 86.276 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.713 -23.008 85.165 1.00 0.00 H new ATOM 0 HD13 LEU A 56 12.198 -23.707 86.728 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.984 -22.451 88.410 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.710 -22.512 88.839 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.854 -20.952 88.818 1.00 0.00 H new ATOM 888 N LYS A 57 10.739 -20.509 84.191 1.00 0.00 N ATOM 889 CA LYS A 57 9.952 -21.052 83.053 1.00 0.00 C ATOM 890 C LYS A 57 10.575 -20.462 81.792 1.00 0.00 C ATOM 891 O LYS A 57 11.646 -20.858 81.375 1.00 0.00 O ATOM 892 CB LYS A 57 8.487 -20.605 83.167 1.00 0.00 C ATOM 893 CG LYS A 57 7.762 -21.462 84.212 1.00 0.00 C ATOM 894 CD LYS A 57 7.197 -22.720 83.546 1.00 0.00 C ATOM 895 CE LYS A 57 6.729 -23.700 84.623 1.00 0.00 C ATOM 896 NZ LYS A 57 5.566 -23.120 85.355 1.00 0.00 N ATOM 0 H LYS A 57 10.227 -19.891 84.820 1.00 0.00 H new ATOM 0 HA LYS A 57 9.969 -22.142 83.039 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.439 -19.553 83.449 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.992 -20.698 82.200 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.451 -21.739 85.010 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.956 -20.889 84.671 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.365 -22.456 82.893 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.958 -23.186 82.921 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.448 -24.650 84.168 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.542 -23.908 85.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.249 -23.787 86.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.849 -22.224 85.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.789 -22.943 84.687 1.00 0.00 H new ATOM 910 N GLY A 58 9.951 -19.471 81.217 1.00 0.00 N ATOM 911 CA GLY A 58 10.553 -18.807 80.031 1.00 0.00 C ATOM 912 C GLY A 58 11.688 -17.928 80.552 1.00 0.00 C ATOM 913 O GLY A 58 12.594 -18.410 81.197 1.00 0.00 O ATOM 0 H GLY A 58 9.052 -19.094 81.518 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.929 -19.545 79.323 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.810 -18.208 79.504 1.00 0.00 H new ATOM 917 N ALA A 59 11.645 -16.643 80.329 1.00 0.00 N ATOM 918 CA ALA A 59 12.733 -15.787 80.882 1.00 0.00 C ATOM 919 C ALA A 59 12.599 -14.331 80.423 1.00 0.00 C ATOM 920 O ALA A 59 13.252 -13.900 79.495 1.00 0.00 O ATOM 921 CB ALA A 59 14.104 -16.345 80.468 1.00 0.00 C ATOM 0 H ALA A 59 10.921 -16.157 79.800 1.00 0.00 H new ATOM 0 HA ALA A 59 12.647 -15.802 81.968 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.893 -15.713 80.877 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.215 -17.359 80.853 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.178 -16.360 79.381 1.00 0.00 H new ATOM 927 N ASP A 60 11.797 -13.556 81.105 1.00 0.00 N ATOM 928 CA ASP A 60 11.678 -12.117 80.751 1.00 0.00 C ATOM 929 C ASP A 60 12.929 -11.433 81.302 1.00 0.00 C ATOM 930 O ASP A 60 13.116 -10.236 81.197 1.00 0.00 O ATOM 931 CB ASP A 60 10.425 -11.530 81.404 1.00 0.00 C ATOM 932 CG ASP A 60 10.182 -10.115 80.877 1.00 0.00 C ATOM 933 OD1 ASP A 60 10.784 -9.196 81.406 1.00 0.00 O ATOM 934 OD2 ASP A 60 9.393 -9.975 79.957 1.00 0.00 O ATOM 0 H ASP A 60 11.221 -13.860 81.890 1.00 0.00 H new ATOM 0 HA ASP A 60 11.594 -11.973 79.674 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.562 -12.161 81.190 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.544 -11.509 82.487 1.00 0.00 H new ATOM 939 N ILE A 61 13.784 -12.222 81.900 1.00 0.00 N ATOM 940 CA ILE A 61 15.045 -11.701 82.496 1.00 0.00 C ATOM 941 C ILE A 61 15.764 -10.815 81.489 1.00 0.00 C ATOM 942 O ILE A 61 16.515 -9.929 81.843 1.00 0.00 O ATOM 943 CB ILE A 61 15.938 -12.892 82.841 1.00 0.00 C ATOM 944 CG1 ILE A 61 17.099 -12.434 83.724 1.00 0.00 C ATOM 945 CG2 ILE A 61 16.486 -13.502 81.547 1.00 0.00 C ATOM 946 CD1 ILE A 61 18.155 -13.539 83.801 1.00 0.00 C ATOM 0 H ILE A 61 13.655 -13.229 82.001 1.00 0.00 H new ATOM 0 HA ILE A 61 14.821 -11.117 83.389 1.00 0.00 H new ATOM 0 HB ILE A 61 15.354 -13.638 83.381 1.00 0.00 H new ATOM 0 HG12 ILE A 61 17.540 -11.524 83.318 1.00 0.00 H new ATOM 0 HG13 ILE A 61 16.736 -12.194 84.723 1.00 0.00 H new ATOM 0 HG21 ILE A 61 17.124 -14.352 81.787 1.00 0.00 H new ATOM 0 HG22 ILE A 61 15.657 -13.835 80.922 1.00 0.00 H new ATOM 0 HG23 ILE A 61 17.067 -12.753 81.009 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.981 -13.209 84.431 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.710 -14.438 84.227 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.527 -13.757 82.800 1.00 0.00 H new ATOM 958 N ASN A 62 15.551 -11.065 80.235 1.00 0.00 N ATOM 959 CA ASN A 62 16.228 -10.261 79.184 1.00 0.00 C ATOM 960 C ASN A 62 15.278 -10.056 77.999 1.00 0.00 C ATOM 961 O ASN A 62 15.302 -9.040 77.338 1.00 0.00 O ATOM 962 CB ASN A 62 17.493 -11.003 78.732 1.00 0.00 C ATOM 963 CG ASN A 62 17.121 -12.393 78.204 1.00 0.00 C ATOM 964 OD1 ASN A 62 15.975 -12.922 78.540 1.00 0.00 O flip ATOM 965 ND2 ASN A 62 17.883 -13.006 77.481 1.00 0.00 N flip ATOM 0 H ASN A 62 14.932 -11.797 79.887 1.00 0.00 H new ATOM 0 HA ASN A 62 16.504 -9.284 79.580 1.00 0.00 H new ATOM 0 HB2 ASN A 62 18.001 -10.433 77.954 1.00 0.00 H new ATOM 0 HB3 ASN A 62 18.189 -11.095 79.566 1.00 0.00 H new ATOM 0 HD21 ASN A 62 18.778 -12.594 77.218 1.00 0.00 H new ATOM 0 HD22 ASN A 62 17.627 -13.932 77.138 1.00 0.00 H new ATOM 972 N ALA A 63 14.445 -11.025 77.740 1.00 0.00 N ATOM 973 CA ALA A 63 13.461 -10.948 76.603 1.00 0.00 C ATOM 974 C ALA A 63 13.132 -9.501 76.162 1.00 0.00 C ATOM 975 O ALA A 63 13.243 -9.194 74.994 1.00 0.00 O ATOM 976 CB ALA A 63 12.182 -11.659 77.014 1.00 0.00 C ATOM 0 H ALA A 63 14.398 -11.891 78.277 1.00 0.00 H new ATOM 0 HA ALA A 63 13.926 -11.431 75.743 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.460 -11.610 76.198 1.00 0.00 H new ATOM 0 HB2 ALA A 63 12.403 -12.702 77.242 1.00 0.00 H new ATOM 0 HB3 ALA A 63 11.765 -11.175 77.897 1.00 0.00 H new ATOM 982 N PRO A 64 12.740 -8.653 77.090 1.00 0.00 N ATOM 983 CA PRO A 64 12.397 -7.254 76.822 1.00 0.00 C ATOM 984 C PRO A 64 12.863 -6.733 75.461 1.00 0.00 C ATOM 985 O PRO A 64 13.989 -6.915 75.038 1.00 0.00 O ATOM 986 CB PRO A 64 13.062 -6.558 78.003 1.00 0.00 C ATOM 987 CG PRO A 64 13.037 -7.605 79.160 1.00 0.00 C ATOM 988 CD PRO A 64 12.628 -8.951 78.523 1.00 0.00 C ATOM 0 HA PRO A 64 11.324 -7.081 76.747 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.083 -6.262 77.762 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.524 -5.652 78.280 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.015 -7.682 79.635 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.329 -7.311 79.934 1.00 0.00 H new ATOM 0 HD2 PRO A 64 13.289 -9.763 78.824 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.616 -9.244 78.802 1.00 0.00 H new ATOM 996 N ASP A 65 11.950 -6.074 74.789 1.00 0.00 N ATOM 997 CA ASP A 65 12.206 -5.481 73.445 1.00 0.00 C ATOM 998 C ASP A 65 11.526 -4.105 73.405 1.00 0.00 C ATOM 999 O ASP A 65 12.132 -3.109 73.058 1.00 0.00 O ATOM 1000 CB ASP A 65 11.596 -6.379 72.364 1.00 0.00 C ATOM 1001 CG ASP A 65 12.537 -7.550 72.082 1.00 0.00 C ATOM 1002 OD1 ASP A 65 13.619 -7.305 71.575 1.00 0.00 O ATOM 1003 OD2 ASP A 65 12.158 -8.673 72.372 1.00 0.00 O ATOM 0 H ASP A 65 11.003 -5.919 75.134 1.00 0.00 H new ATOM 0 HA ASP A 65 13.277 -5.388 73.266 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.624 -6.750 72.690 1.00 0.00 H new ATOM 0 HB3 ASP A 65 11.428 -5.806 71.452 1.00 0.00 H new ATOM 1008 N LYS A 66 10.268 -4.047 73.772 1.00 0.00 N ATOM 1009 CA LYS A 66 9.538 -2.756 73.780 1.00 0.00 C ATOM 1010 C LYS A 66 9.726 -2.087 75.140 1.00 0.00 C ATOM 1011 O LYS A 66 9.647 -0.881 75.271 1.00 0.00 O ATOM 1012 CB LYS A 66 8.060 -3.024 73.532 1.00 0.00 C ATOM 1013 CG LYS A 66 7.364 -1.708 73.208 1.00 0.00 C ATOM 1014 CD LYS A 66 7.479 -1.407 71.710 1.00 0.00 C ATOM 1015 CE LYS A 66 6.881 -0.029 71.415 1.00 0.00 C ATOM 1016 NZ LYS A 66 7.461 0.505 70.150 1.00 0.00 N ATOM 0 H LYS A 66 9.717 -4.852 74.068 1.00 0.00 H new ATOM 0 HA LYS A 66 9.922 -2.099 73.000 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.938 -3.727 72.708 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.608 -3.482 74.412 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.314 -1.762 73.497 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.812 -0.899 73.785 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.524 -1.434 71.403 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.958 -2.172 71.134 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.797 -0.102 71.328 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.089 0.653 72.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.055 1.441 69.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.493 0.590 70.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.241 -0.143 69.367 1.00 0.00 H new ATOM 1030 N HIS A 67 10.005 -2.865 76.148 1.00 0.00 N ATOM 1031 CA HIS A 67 10.238 -2.292 77.495 1.00 0.00 C ATOM 1032 C HIS A 67 11.643 -1.715 77.497 1.00 0.00 C ATOM 1033 O HIS A 67 12.102 -1.137 78.461 1.00 0.00 O ATOM 1034 CB HIS A 67 10.123 -3.406 78.534 1.00 0.00 C ATOM 1035 CG HIS A 67 8.985 -4.314 78.161 1.00 0.00 C ATOM 1036 ND1 HIS A 67 9.193 -5.579 77.637 1.00 0.00 N ATOM 1037 CD2 HIS A 67 7.624 -4.151 78.220 1.00 0.00 C ATOM 1038 CE1 HIS A 67 7.986 -6.124 77.402 1.00 0.00 C ATOM 1039 NE2 HIS A 67 6.994 -5.296 77.740 1.00 0.00 N ATOM 0 H HIS A 67 10.081 -3.881 76.092 1.00 0.00 H new ATOM 0 HA HIS A 67 9.509 -1.518 77.734 1.00 0.00 H new ATOM 0 HB2 HIS A 67 11.054 -3.971 78.583 1.00 0.00 H new ATOM 0 HB3 HIS A 67 9.955 -2.981 79.524 1.00 0.00 H new ATOM 0 HD2 HIS A 67 7.118 -3.269 78.584 1.00 0.00 H new ATOM 0 HE1 HIS A 67 7.837 -7.111 76.990 1.00 0.00 H new ATOM 0 HE2 HIS A 67 5.991 -5.466 77.663 1.00 0.00 H new ATOM 1047 N HIS A 68 12.316 -1.861 76.389 1.00 0.00 N ATOM 1048 CA HIS A 68 13.695 -1.327 76.250 1.00 0.00 C ATOM 1049 C HIS A 68 14.460 -1.466 77.557 1.00 0.00 C ATOM 1050 O HIS A 68 15.306 -0.655 77.870 1.00 0.00 O ATOM 1051 CB HIS A 68 13.616 0.154 75.866 1.00 0.00 C ATOM 1052 CG HIS A 68 14.863 0.561 75.128 1.00 0.00 C ATOM 1053 ND1 HIS A 68 14.895 1.661 74.286 1.00 0.00 N ATOM 1054 CD2 HIS A 68 16.129 0.028 75.095 1.00 0.00 C ATOM 1055 CE1 HIS A 68 16.141 1.756 73.787 1.00 0.00 C ATOM 1056 NE2 HIS A 68 16.934 0.786 74.248 1.00 0.00 N ATOM 0 H HIS A 68 11.959 -2.337 75.560 1.00 0.00 H new ATOM 0 HA HIS A 68 14.218 -1.893 75.479 1.00 0.00 H new ATOM 0 HB2 HIS A 68 12.740 0.330 75.242 1.00 0.00 H new ATOM 0 HB3 HIS A 68 13.497 0.765 76.761 1.00 0.00 H new ATOM 0 HD2 HIS A 68 16.451 -0.846 75.642 1.00 0.00 H new ATOM 0 HE1 HIS A 68 16.461 2.523 73.098 1.00 0.00 H new ATOM 0 HE2 HIS A 68 17.918 0.633 74.027 1.00 0.00 H new ATOM 1064 N ILE A 69 14.196 -2.481 78.335 1.00 0.00 N ATOM 1065 CA ILE A 69 14.963 -2.599 79.594 1.00 0.00 C ATOM 1066 C ILE A 69 14.999 -4.019 80.119 1.00 0.00 C ATOM 1067 O ILE A 69 14.198 -4.878 79.801 1.00 0.00 O ATOM 1068 CB ILE A 69 14.382 -1.661 80.665 1.00 0.00 C ATOM 1069 CG1 ILE A 69 15.478 -0.695 81.137 1.00 0.00 C ATOM 1070 CG2 ILE A 69 13.853 -2.461 81.868 1.00 0.00 C ATOM 1071 CD1 ILE A 69 16.638 -1.460 81.803 1.00 0.00 C ATOM 0 H ILE A 69 13.504 -3.209 78.157 1.00 0.00 H new ATOM 0 HA ILE A 69 15.989 -2.308 79.368 1.00 0.00 H new ATOM 0 HB ILE A 69 13.552 -1.105 80.229 1.00 0.00 H new ATOM 0 HG12 ILE A 69 15.854 -0.123 80.289 1.00 0.00 H new ATOM 0 HG13 ILE A 69 15.057 0.021 81.843 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.447 -1.775 82.611 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.069 -3.141 81.536 1.00 0.00 H new ATOM 0 HG23 ILE A 69 14.668 -3.035 82.310 1.00 0.00 H new ATOM 0 HD11 ILE A 69 17.401 -0.753 82.128 1.00 0.00 H new ATOM 0 HD12 ILE A 69 16.263 -2.011 82.665 1.00 0.00 H new ATOM 0 HD13 ILE A 69 17.072 -2.158 81.087 1.00 0.00 H new ATOM 1083 N THR A 70 15.945 -4.212 80.968 1.00 0.00 N ATOM 1084 CA THR A 70 16.170 -5.486 81.654 1.00 0.00 C ATOM 1085 C THR A 70 15.665 -5.230 83.086 1.00 0.00 C ATOM 1086 O THR A 70 16.238 -4.434 83.792 1.00 0.00 O ATOM 1087 CB THR A 70 17.679 -5.729 81.584 1.00 0.00 C ATOM 1088 OG1 THR A 70 18.278 -5.305 82.799 1.00 0.00 O ATOM 1089 CG2 THR A 70 18.260 -4.904 80.414 1.00 0.00 C ATOM 0 H THR A 70 16.613 -3.487 81.228 1.00 0.00 H new ATOM 0 HA THR A 70 15.667 -6.360 81.240 1.00 0.00 H new ATOM 0 HB THR A 70 17.880 -6.789 81.430 1.00 0.00 H new ATOM 0 HG1 THR A 70 19.246 -5.218 82.673 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.336 -5.068 80.352 1.00 0.00 H new ATOM 0 HG22 THR A 70 17.791 -5.216 79.481 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.063 -3.845 80.582 1.00 0.00 H new ATOM 1097 N PRO A 71 14.540 -5.812 83.436 1.00 0.00 N ATOM 1098 CA PRO A 71 13.893 -5.538 84.736 1.00 0.00 C ATOM 1099 C PRO A 71 14.809 -5.821 85.923 1.00 0.00 C ATOM 1100 O PRO A 71 14.513 -5.429 87.032 1.00 0.00 O ATOM 1101 CB PRO A 71 12.645 -6.432 84.743 1.00 0.00 C ATOM 1102 CG PRO A 71 12.470 -6.965 83.300 1.00 0.00 C ATOM 1103 CD PRO A 71 13.819 -6.780 82.593 1.00 0.00 C ATOM 0 HA PRO A 71 13.644 -4.482 84.844 1.00 0.00 H new ATOM 0 HB2 PRO A 71 12.763 -7.255 85.448 1.00 0.00 H new ATOM 0 HB3 PRO A 71 11.767 -5.868 85.056 1.00 0.00 H new ATOM 0 HG2 PRO A 71 12.179 -8.015 83.308 1.00 0.00 H new ATOM 0 HG3 PRO A 71 11.683 -6.420 82.779 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.361 -7.723 82.517 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.688 -6.404 81.578 1.00 0.00 H new ATOM 1111 N LEU A 72 15.929 -6.445 85.728 1.00 0.00 N ATOM 1112 CA LEU A 72 16.824 -6.652 86.890 1.00 0.00 C ATOM 1113 C LEU A 72 17.079 -5.264 87.477 1.00 0.00 C ATOM 1114 O LEU A 72 17.221 -5.089 88.667 1.00 0.00 O ATOM 1115 CB LEU A 72 18.153 -7.299 86.456 1.00 0.00 C ATOM 1116 CG LEU A 72 17.961 -8.183 85.210 1.00 0.00 C ATOM 1117 CD1 LEU A 72 16.671 -8.999 85.322 1.00 0.00 C ATOM 1118 CD2 LEU A 72 17.905 -7.320 83.950 1.00 0.00 C ATOM 0 H LEU A 72 16.259 -6.814 84.836 1.00 0.00 H new ATOM 0 HA LEU A 72 16.370 -7.323 87.619 1.00 0.00 H new ATOM 0 HB2 LEU A 72 18.887 -6.521 86.244 1.00 0.00 H new ATOM 0 HB3 LEU A 72 18.552 -7.900 87.273 1.00 0.00 H new ATOM 0 HG LEU A 72 18.810 -8.864 85.145 1.00 0.00 H new ATOM 0 HD11 LEU A 72 16.553 -9.617 84.432 1.00 0.00 H new ATOM 0 HD12 LEU A 72 16.720 -9.638 86.204 1.00 0.00 H new ATOM 0 HD13 LEU A 72 15.820 -8.324 85.410 1.00 0.00 H new ATOM 0 HD21 LEU A 72 17.769 -7.959 83.077 1.00 0.00 H new ATOM 0 HD22 LEU A 72 17.070 -6.623 84.023 1.00 0.00 H new ATOM 0 HD23 LEU A 72 18.836 -6.762 83.850 1.00 0.00 H new ATOM 1130 N LEU A 73 17.079 -4.267 86.627 1.00 0.00 N ATOM 1131 CA LEU A 73 17.260 -2.871 87.089 1.00 0.00 C ATOM 1132 C LEU A 73 15.980 -2.456 87.815 1.00 0.00 C ATOM 1133 O LEU A 73 15.964 -1.552 88.623 1.00 0.00 O ATOM 1134 CB LEU A 73 17.483 -1.946 85.885 1.00 0.00 C ATOM 1135 CG LEU A 73 18.884 -2.165 85.288 1.00 0.00 C ATOM 1136 CD1 LEU A 73 18.841 -3.287 84.249 1.00 0.00 C ATOM 1137 CD2 LEU A 73 19.354 -0.876 84.608 1.00 0.00 C ATOM 0 H LEU A 73 16.959 -4.371 85.619 1.00 0.00 H new ATOM 0 HA LEU A 73 18.124 -2.799 87.749 1.00 0.00 H new ATOM 0 HB2 LEU A 73 16.724 -2.138 85.126 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.371 -0.906 86.192 1.00 0.00 H new ATOM 0 HG LEU A 73 19.572 -2.438 86.088 1.00 0.00 H new ATOM 0 HD11 LEU A 73 19.837 -3.435 83.832 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.506 -4.209 84.723 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.150 -3.017 83.451 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.347 -1.029 84.184 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.657 -0.609 83.813 1.00 0.00 H new ATOM 0 HD23 LEU A 73 19.393 -0.071 85.342 1.00 0.00 H new ATOM 1149 N SER A 74 14.895 -3.122 87.526 1.00 0.00 N ATOM 1150 CA SER A 74 13.616 -2.780 88.196 1.00 0.00 C ATOM 1151 C SER A 74 13.775 -2.918 89.713 1.00 0.00 C ATOM 1152 O SER A 74 13.401 -2.046 90.476 1.00 0.00 O ATOM 1153 CB SER A 74 12.510 -3.713 87.698 1.00 0.00 C ATOM 1154 OG SER A 74 11.251 -3.242 88.162 1.00 0.00 O ATOM 0 H SER A 74 14.843 -3.888 86.854 1.00 0.00 H new ATOM 0 HA SER A 74 13.347 -1.750 87.960 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.517 -3.754 86.609 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.686 -4.727 88.056 1.00 0.00 H new ATOM 0 HG SER A 74 10.568 -3.407 87.479 1.00 0.00 H new ATOM 1160 N ALA A 75 14.336 -4.007 90.159 1.00 0.00 N ATOM 1161 CA ALA A 75 14.520 -4.196 91.631 1.00 0.00 C ATOM 1162 C ALA A 75 15.586 -3.224 92.145 1.00 0.00 C ATOM 1163 O ALA A 75 15.524 -2.748 93.262 1.00 0.00 O ATOM 1164 CB ALA A 75 14.950 -5.636 91.914 1.00 0.00 C ATOM 0 H ALA A 75 14.674 -4.772 89.575 1.00 0.00 H new ATOM 0 HA ALA A 75 13.578 -3.997 92.142 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.084 -5.772 92.987 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.183 -6.322 91.554 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.890 -5.842 91.402 1.00 0.00 H new ATOM 1170 N VAL A 76 16.563 -2.927 91.333 1.00 0.00 N ATOM 1171 CA VAL A 76 17.640 -1.991 91.754 1.00 0.00 C ATOM 1172 C VAL A 76 17.023 -0.767 92.453 1.00 0.00 C ATOM 1173 O VAL A 76 17.192 -0.577 93.641 1.00 0.00 O ATOM 1174 CB VAL A 76 18.435 -1.588 90.504 1.00 0.00 C ATOM 1175 CG1 VAL A 76 19.367 -0.413 90.811 1.00 0.00 C ATOM 1176 CG2 VAL A 76 19.264 -2.799 90.045 1.00 0.00 C ATOM 0 H VAL A 76 16.661 -3.297 90.387 1.00 0.00 H new ATOM 0 HA VAL A 76 18.313 -2.467 92.467 1.00 0.00 H new ATOM 0 HB VAL A 76 17.745 -1.278 89.719 1.00 0.00 H new ATOM 0 HG11 VAL A 76 19.921 -0.143 89.912 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.778 0.441 91.144 1.00 0.00 H new ATOM 0 HG13 VAL A 76 20.067 -0.699 91.596 1.00 0.00 H new ATOM 0 HG21 VAL A 76 19.837 -2.532 89.157 1.00 0.00 H new ATOM 0 HG22 VAL A 76 19.947 -3.096 90.841 1.00 0.00 H new ATOM 0 HG23 VAL A 76 18.597 -3.629 89.811 1.00 0.00 H new ATOM 1186 N TYR A 77 16.304 0.059 91.740 1.00 0.00 N ATOM 1187 CA TYR A 77 15.681 1.246 92.395 1.00 0.00 C ATOM 1188 C TYR A 77 14.495 0.783 93.248 1.00 0.00 C ATOM 1189 O TYR A 77 13.422 1.352 93.191 1.00 0.00 O ATOM 1190 CB TYR A 77 15.173 2.232 91.331 1.00 0.00 C ATOM 1191 CG TYR A 77 15.914 2.044 90.023 1.00 0.00 C ATOM 1192 CD1 TYR A 77 15.449 1.119 89.077 1.00 0.00 C ATOM 1193 CD2 TYR A 77 17.049 2.817 89.741 1.00 0.00 C ATOM 1194 CE1 TYR A 77 16.118 0.967 87.856 1.00 0.00 C ATOM 1195 CE2 TYR A 77 17.717 2.660 88.521 1.00 0.00 C ATOM 1196 CZ TYR A 77 17.252 1.738 87.579 1.00 0.00 C ATOM 1197 OH TYR A 77 17.914 1.589 86.376 1.00 0.00 O ATOM 0 H TYR A 77 16.122 -0.035 90.741 1.00 0.00 H new ATOM 0 HA TYR A 77 16.426 1.741 93.018 1.00 0.00 H new ATOM 0 HB2 TYR A 77 14.105 2.084 91.173 1.00 0.00 H new ATOM 0 HB3 TYR A 77 15.305 3.255 91.685 1.00 0.00 H new ATOM 0 HD1 TYR A 77 14.574 0.523 89.290 1.00 0.00 H new ATOM 0 HD2 TYR A 77 17.408 3.534 90.465 1.00 0.00 H new ATOM 0 HE1 TYR A 77 15.758 0.255 87.128 1.00 0.00 H new ATOM 0 HE2 TYR A 77 18.594 3.253 88.307 1.00 0.00 H new ATOM 0 HH TYR A 77 18.051 2.469 85.967 1.00 0.00 H new ATOM 1207 N GLU A 78 14.671 -0.247 94.030 1.00 0.00 N ATOM 1208 CA GLU A 78 13.539 -0.740 94.871 1.00 0.00 C ATOM 1209 C GLU A 78 14.000 -0.936 96.316 1.00 0.00 C ATOM 1210 O GLU A 78 13.202 -0.961 97.230 1.00 0.00 O ATOM 1211 CB GLU A 78 13.049 -2.085 94.326 1.00 0.00 C ATOM 1212 CG GLU A 78 11.607 -2.321 94.774 1.00 0.00 C ATOM 1213 CD GLU A 78 10.675 -1.466 93.918 1.00 0.00 C ATOM 1214 OE1 GLU A 78 10.942 -1.345 92.734 1.00 0.00 O ATOM 1215 OE2 GLU A 78 9.716 -0.943 94.459 1.00 0.00 O ATOM 0 H GLU A 78 15.543 -0.767 94.124 1.00 0.00 H new ATOM 0 HA GLU A 78 12.735 -0.005 94.843 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.109 -2.092 93.238 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.689 -2.890 94.686 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.349 -3.375 94.674 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.493 -2.064 95.827 1.00 0.00 H new ATOM 1222 N GLY A 79 15.273 -1.111 96.532 1.00 0.00 N ATOM 1223 CA GLY A 79 15.755 -1.349 97.920 1.00 0.00 C ATOM 1224 C GLY A 79 15.603 -2.839 98.211 1.00 0.00 C ATOM 1225 O GLY A 79 16.021 -3.336 99.237 1.00 0.00 O ATOM 0 H GLY A 79 15.996 -1.100 95.813 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.796 -1.043 98.022 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.178 -0.759 98.632 1.00 0.00 H new ATOM 1229 N HIS A 80 15.013 -3.561 97.292 1.00 0.00 N ATOM 1230 CA HIS A 80 14.839 -5.018 97.493 1.00 0.00 C ATOM 1231 C HIS A 80 16.164 -5.691 97.167 1.00 0.00 C ATOM 1232 O HIS A 80 16.782 -6.299 98.015 1.00 0.00 O ATOM 1233 CB HIS A 80 13.743 -5.537 96.550 1.00 0.00 C ATOM 1234 CG HIS A 80 12.397 -5.431 97.217 1.00 0.00 C ATOM 1235 ND1 HIS A 80 11.581 -6.535 97.426 1.00 0.00 N ATOM 1236 CD2 HIS A 80 11.710 -4.358 97.726 1.00 0.00 C ATOM 1237 CE1 HIS A 80 10.461 -6.104 98.029 1.00 0.00 C ATOM 1238 NE2 HIS A 80 10.488 -4.785 98.237 1.00 0.00 N ATOM 0 H HIS A 80 14.646 -3.197 96.412 1.00 0.00 H new ATOM 0 HA HIS A 80 14.546 -5.235 98.520 1.00 0.00 H new ATOM 0 HB2 HIS A 80 13.746 -4.961 95.624 1.00 0.00 H new ATOM 0 HB3 HIS A 80 13.944 -6.574 96.281 1.00 0.00 H new ATOM 0 HD2 HIS A 80 12.064 -3.338 97.730 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.639 -6.745 98.311 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.767 -4.213 98.677 1.00 0.00 H new ATOM 1246 N VAL A 81 16.599 -5.568 95.940 1.00 0.00 N ATOM 1247 CA VAL A 81 17.888 -6.180 95.513 1.00 0.00 C ATOM 1248 C VAL A 81 18.118 -7.506 96.237 1.00 0.00 C ATOM 1249 O VAL A 81 19.200 -8.068 96.220 1.00 0.00 O ATOM 1250 CB VAL A 81 19.037 -5.186 95.748 1.00 0.00 C ATOM 1251 CG1 VAL A 81 19.134 -4.250 94.533 1.00 0.00 C ATOM 1252 CG2 VAL A 81 18.751 -4.348 97.003 1.00 0.00 C ATOM 0 H VAL A 81 16.106 -5.061 95.205 1.00 0.00 H new ATOM 0 HA VAL A 81 17.850 -6.402 94.446 1.00 0.00 H new ATOM 0 HB VAL A 81 19.971 -5.731 95.884 1.00 0.00 H new ATOM 0 HG11 VAL A 81 19.946 -3.539 94.686 1.00 0.00 H new ATOM 0 HG12 VAL A 81 19.330 -4.837 93.636 1.00 0.00 H new ATOM 0 HG13 VAL A 81 18.195 -3.709 94.414 1.00 0.00 H new ATOM 0 HG21 VAL A 81 19.568 -3.645 97.165 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.820 -3.797 96.868 1.00 0.00 H new ATOM 0 HG23 VAL A 81 18.662 -5.006 97.867 1.00 0.00 H new ATOM 1262 N SER A 82 17.079 -8.050 96.801 1.00 0.00 N ATOM 1263 CA SER A 82 17.194 -9.375 97.443 1.00 0.00 C ATOM 1264 C SER A 82 17.054 -10.380 96.309 1.00 0.00 C ATOM 1265 O SER A 82 17.532 -11.498 96.366 1.00 0.00 O ATOM 1266 CB SER A 82 16.079 -9.561 98.483 1.00 0.00 C ATOM 1267 OG SER A 82 16.647 -9.546 99.788 1.00 0.00 O ATOM 0 H SER A 82 16.152 -7.627 96.842 1.00 0.00 H new ATOM 0 HA SER A 82 18.139 -9.497 97.973 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.339 -8.766 98.386 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.559 -10.503 98.311 1.00 0.00 H new ATOM 0 HG SER A 82 15.938 -9.663 100.455 1.00 0.00 H new ATOM 1273 N CYS A 83 16.410 -9.944 95.251 1.00 0.00 N ATOM 1274 CA CYS A 83 16.226 -10.805 94.054 1.00 0.00 C ATOM 1275 C CYS A 83 17.483 -10.720 93.192 1.00 0.00 C ATOM 1276 O CYS A 83 18.083 -11.723 92.875 1.00 0.00 O ATOM 1277 CB CYS A 83 15.023 -10.315 93.246 1.00 0.00 C ATOM 1278 SG CYS A 83 14.904 -11.256 91.704 1.00 0.00 S ATOM 0 H CYS A 83 16.001 -9.013 95.172 1.00 0.00 H new ATOM 0 HA CYS A 83 16.052 -11.836 94.364 1.00 0.00 H new ATOM 0 HB2 CYS A 83 14.109 -10.433 93.828 1.00 0.00 H new ATOM 0 HB3 CYS A 83 15.127 -9.252 93.028 1.00 0.00 H new ATOM 0 HG CYS A 83 14.408 -10.499 90.771 1.00 0.00 H new ATOM 1284 N VAL A 84 17.906 -9.530 92.824 1.00 0.00 N ATOM 1285 CA VAL A 84 19.144 -9.412 91.992 1.00 0.00 C ATOM 1286 C VAL A 84 20.112 -10.503 92.425 1.00 0.00 C ATOM 1287 O VAL A 84 20.742 -11.152 91.620 1.00 0.00 O ATOM 1288 CB VAL A 84 19.810 -8.054 92.198 1.00 0.00 C ATOM 1289 CG1 VAL A 84 18.911 -6.940 91.654 1.00 0.00 C ATOM 1290 CG2 VAL A 84 20.068 -7.827 93.686 1.00 0.00 C ATOM 0 H VAL A 84 17.452 -8.648 93.061 1.00 0.00 H new ATOM 0 HA VAL A 84 18.880 -9.513 90.939 1.00 0.00 H new ATOM 0 HB VAL A 84 20.758 -8.039 91.661 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.395 -5.975 91.806 1.00 0.00 H new ATOM 0 HG12 VAL A 84 18.741 -7.097 90.589 1.00 0.00 H new ATOM 0 HG13 VAL A 84 17.956 -6.954 92.180 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.543 -6.857 93.829 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.122 -7.851 94.227 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.723 -8.611 94.066 1.00 0.00 H new ATOM 1300 N LYS A 85 20.214 -10.723 93.706 1.00 0.00 N ATOM 1301 CA LYS A 85 21.117 -11.785 94.198 1.00 0.00 C ATOM 1302 C LYS A 85 20.662 -13.121 93.576 1.00 0.00 C ATOM 1303 O LYS A 85 21.381 -13.747 92.820 1.00 0.00 O ATOM 1304 CB LYS A 85 21.022 -11.835 95.736 1.00 0.00 C ATOM 1305 CG LYS A 85 22.400 -11.571 96.369 1.00 0.00 C ATOM 1306 CD LYS A 85 22.695 -10.065 96.374 1.00 0.00 C ATOM 1307 CE LYS A 85 24.189 -9.832 96.630 1.00 0.00 C ATOM 1308 NZ LYS A 85 24.408 -8.425 97.073 1.00 0.00 N ATOM 0 H LYS A 85 19.709 -10.210 94.429 1.00 0.00 H new ATOM 0 HA LYS A 85 22.153 -11.592 93.918 1.00 0.00 H new ATOM 0 HB2 LYS A 85 20.306 -11.092 96.087 1.00 0.00 H new ATOM 0 HB3 LYS A 85 20.651 -12.810 96.052 1.00 0.00 H new ATOM 0 HG2 LYS A 85 22.421 -11.958 97.388 1.00 0.00 H new ATOM 0 HG3 LYS A 85 23.173 -12.100 95.811 1.00 0.00 H new ATOM 0 HD2 LYS A 85 22.407 -9.625 95.419 1.00 0.00 H new ATOM 0 HD3 LYS A 85 22.103 -9.571 97.144 1.00 0.00 H new ATOM 0 HE2 LYS A 85 24.550 -10.524 97.391 1.00 0.00 H new ATOM 0 HE3 LYS A 85 24.759 -10.031 95.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 25.422 -8.269 97.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 24.079 -7.773 96.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 23.876 -8.250 97.950 1.00 0.00 H new ATOM 1322 N LEU A 86 19.459 -13.541 93.881 1.00 0.00 N ATOM 1323 CA LEU A 86 18.906 -14.812 93.317 1.00 0.00 C ATOM 1324 C LEU A 86 18.675 -14.641 91.808 1.00 0.00 C ATOM 1325 O LEU A 86 18.432 -15.584 91.086 1.00 0.00 O ATOM 1326 CB LEU A 86 17.606 -15.118 94.100 1.00 0.00 C ATOM 1327 CG LEU A 86 16.386 -15.397 93.204 1.00 0.00 C ATOM 1328 CD1 LEU A 86 16.045 -14.185 92.324 1.00 0.00 C ATOM 1329 CD2 LEU A 86 16.619 -16.643 92.333 1.00 0.00 C ATOM 0 H LEU A 86 18.825 -13.047 94.509 1.00 0.00 H new ATOM 0 HA LEU A 86 19.590 -15.653 93.427 1.00 0.00 H new ATOM 0 HB2 LEU A 86 17.776 -15.981 94.743 1.00 0.00 H new ATOM 0 HB3 LEU A 86 17.380 -14.274 94.752 1.00 0.00 H new ATOM 0 HG LEU A 86 15.536 -15.585 93.860 1.00 0.00 H new ATOM 0 HD11 LEU A 86 15.179 -14.417 91.705 1.00 0.00 H new ATOM 0 HD12 LEU A 86 15.818 -13.328 92.958 1.00 0.00 H new ATOM 0 HD13 LEU A 86 16.896 -13.949 91.685 1.00 0.00 H new ATOM 0 HD21 LEU A 86 15.743 -16.820 91.709 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.491 -16.485 91.698 1.00 0.00 H new ATOM 0 HD23 LEU A 86 16.788 -17.508 92.974 1.00 0.00 H new ATOM 1341 N LEU A 87 18.740 -13.430 91.331 1.00 0.00 N ATOM 1342 CA LEU A 87 18.500 -13.169 89.881 1.00 0.00 C ATOM 1343 C LEU A 87 19.741 -13.488 89.018 1.00 0.00 C ATOM 1344 O LEU A 87 19.646 -14.259 88.084 1.00 0.00 O ATOM 1345 CB LEU A 87 18.111 -11.695 89.705 1.00 0.00 C ATOM 1346 CG LEU A 87 16.842 -11.578 88.858 1.00 0.00 C ATOM 1347 CD1 LEU A 87 16.366 -10.124 88.855 1.00 0.00 C ATOM 1348 CD2 LEU A 87 17.138 -12.017 87.422 1.00 0.00 C ATOM 0 H LEU A 87 18.951 -12.601 91.887 1.00 0.00 H new ATOM 0 HA LEU A 87 17.696 -13.824 89.544 1.00 0.00 H new ATOM 0 HB2 LEU A 87 17.949 -11.236 90.680 1.00 0.00 H new ATOM 0 HB3 LEU A 87 18.926 -11.151 89.228 1.00 0.00 H new ATOM 0 HG LEU A 87 16.067 -12.218 89.279 1.00 0.00 H new ATOM 0 HD11 LEU A 87 15.462 -10.038 88.252 1.00 0.00 H new ATOM 0 HD12 LEU A 87 16.152 -9.809 89.876 1.00 0.00 H new ATOM 0 HD13 LEU A 87 17.144 -9.487 88.434 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.232 -11.932 86.822 1.00 0.00 H new ATOM 0 HD22 LEU A 87 17.914 -11.379 86.999 1.00 0.00 H new ATOM 0 HD23 LEU A 87 17.479 -13.052 87.421 1.00 0.00 H new ATOM 1360 N LEU A 88 20.897 -12.896 89.271 1.00 0.00 N ATOM 1361 CA LEU A 88 22.064 -13.211 88.381 1.00 0.00 C ATOM 1362 C LEU A 88 22.443 -14.679 88.522 1.00 0.00 C ATOM 1363 O LEU A 88 23.161 -15.230 87.709 1.00 0.00 O ATOM 1364 CB LEU A 88 23.279 -12.284 88.630 1.00 0.00 C ATOM 1365 CG LEU A 88 24.142 -12.699 89.839 1.00 0.00 C ATOM 1366 CD1 LEU A 88 23.276 -12.885 91.080 1.00 0.00 C ATOM 1367 CD2 LEU A 88 24.917 -13.995 89.542 1.00 0.00 C ATOM 0 H LEU A 88 21.075 -12.234 90.026 1.00 0.00 H new ATOM 0 HA LEU A 88 21.753 -13.022 87.354 1.00 0.00 H new ATOM 0 HB2 LEU A 88 23.904 -12.272 87.737 1.00 0.00 H new ATOM 0 HB3 LEU A 88 22.922 -11.266 88.783 1.00 0.00 H new ATOM 0 HG LEU A 88 24.859 -11.900 90.026 1.00 0.00 H new ATOM 0 HD11 LEU A 88 23.904 -13.178 91.921 1.00 0.00 H new ATOM 0 HD12 LEU A 88 22.769 -11.949 91.314 1.00 0.00 H new ATOM 0 HD13 LEU A 88 22.535 -13.662 90.893 1.00 0.00 H new ATOM 0 HD21 LEU A 88 25.518 -14.267 90.410 1.00 0.00 H new ATOM 0 HD22 LEU A 88 24.213 -14.798 89.322 1.00 0.00 H new ATOM 0 HD23 LEU A 88 25.570 -13.840 88.683 1.00 0.00 H new ATOM 1379 N SER A 89 21.936 -15.331 89.521 1.00 0.00 N ATOM 1380 CA SER A 89 22.234 -16.778 89.685 1.00 0.00 C ATOM 1381 C SER A 89 21.822 -17.490 88.391 1.00 0.00 C ATOM 1382 O SER A 89 22.173 -18.628 88.150 1.00 0.00 O ATOM 1383 CB SER A 89 21.423 -17.333 90.859 1.00 0.00 C ATOM 1384 OG SER A 89 20.268 -17.999 90.362 1.00 0.00 O ATOM 0 H SER A 89 21.327 -14.928 90.233 1.00 0.00 H new ATOM 0 HA SER A 89 23.294 -16.934 89.884 1.00 0.00 H new ATOM 0 HB2 SER A 89 22.032 -18.024 91.442 1.00 0.00 H new ATOM 0 HB3 SER A 89 21.130 -16.524 91.528 1.00 0.00 H new ATOM 0 HG SER A 89 19.487 -17.416 90.460 1.00 0.00 H new ATOM 1390 N LYS A 90 21.077 -16.810 87.554 1.00 0.00 N ATOM 1391 CA LYS A 90 20.630 -17.408 86.262 1.00 0.00 C ATOM 1392 C LYS A 90 21.309 -16.663 85.111 1.00 0.00 C ATOM 1393 O LYS A 90 21.314 -17.110 83.980 1.00 0.00 O ATOM 1394 CB LYS A 90 19.110 -17.251 86.136 1.00 0.00 C ATOM 1395 CG LYS A 90 18.415 -18.290 87.017 1.00 0.00 C ATOM 1396 CD LYS A 90 16.900 -18.233 86.798 1.00 0.00 C ATOM 1397 CE LYS A 90 16.360 -16.868 87.234 1.00 0.00 C ATOM 1398 NZ LYS A 90 17.030 -16.439 88.495 1.00 0.00 N ATOM 0 H LYS A 90 20.757 -15.855 87.715 1.00 0.00 H new ATOM 0 HA LYS A 90 20.895 -18.465 86.229 1.00 0.00 H new ATOM 0 HB2 LYS A 90 18.811 -16.246 86.436 1.00 0.00 H new ATOM 0 HB3 LYS A 90 18.806 -17.377 85.097 1.00 0.00 H new ATOM 0 HG2 LYS A 90 18.788 -19.287 86.781 1.00 0.00 H new ATOM 0 HG3 LYS A 90 18.647 -18.103 88.066 1.00 0.00 H new ATOM 0 HD2 LYS A 90 16.669 -18.406 85.747 1.00 0.00 H new ATOM 0 HD3 LYS A 90 16.412 -19.025 87.366 1.00 0.00 H new ATOM 0 HE2 LYS A 90 16.534 -16.131 86.450 1.00 0.00 H new ATOM 0 HE3 LYS A 90 15.282 -16.925 87.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 16.436 -15.739 88.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 17.170 -17.264 89.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 17.953 -16.014 88.271 1.00 0.00 H new ATOM 1412 N GLY A 91 21.875 -15.523 85.402 1.00 0.00 N ATOM 1413 CA GLY A 91 22.553 -14.710 84.352 1.00 0.00 C ATOM 1414 C GLY A 91 22.113 -13.252 84.498 1.00 0.00 C ATOM 1415 O GLY A 91 22.640 -12.513 85.307 1.00 0.00 O ATOM 0 H GLY A 91 21.896 -15.115 86.337 1.00 0.00 H new ATOM 0 HA2 GLY A 91 23.635 -14.790 84.453 1.00 0.00 H new ATOM 0 HA3 GLY A 91 22.297 -15.084 83.361 1.00 0.00 H new ATOM 1419 N ALA A 92 21.129 -12.846 83.742 1.00 0.00 N ATOM 1420 CA ALA A 92 20.616 -11.446 83.842 1.00 0.00 C ATOM 1421 C ALA A 92 21.732 -10.417 83.706 1.00 0.00 C ATOM 1422 O ALA A 92 21.467 -9.248 83.516 1.00 0.00 O ATOM 1423 CB ALA A 92 19.947 -11.262 85.208 1.00 0.00 C ATOM 0 H ALA A 92 20.653 -13.428 83.053 1.00 0.00 H new ATOM 0 HA ALA A 92 19.909 -11.289 83.028 1.00 0.00 H new ATOM 0 HB1 ALA A 92 19.568 -10.244 85.293 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.121 -11.966 85.306 1.00 0.00 H new ATOM 0 HB3 ALA A 92 20.676 -11.445 85.998 1.00 0.00 H new ATOM 1429 N ASP A 93 22.967 -10.807 83.796 1.00 0.00 N ATOM 1430 CA ASP A 93 24.040 -9.794 83.673 1.00 0.00 C ATOM 1431 C ASP A 93 23.624 -8.558 84.503 1.00 0.00 C ATOM 1432 O ASP A 93 23.145 -8.697 85.611 1.00 0.00 O ATOM 1433 CB ASP A 93 24.186 -9.448 82.190 1.00 0.00 C ATOM 1434 CG ASP A 93 25.164 -10.423 81.533 1.00 0.00 C ATOM 1435 OD1 ASP A 93 26.349 -10.305 81.797 1.00 0.00 O ATOM 1436 OD2 ASP A 93 24.713 -11.267 80.776 1.00 0.00 O ATOM 0 H ASP A 93 23.276 -11.767 83.947 1.00 0.00 H new ATOM 0 HA ASP A 93 24.997 -10.158 84.045 1.00 0.00 H new ATOM 0 HB2 ASP A 93 23.216 -9.501 81.696 1.00 0.00 H new ATOM 0 HB3 ASP A 93 24.545 -8.425 82.078 1.00 0.00 H new ATOM 1441 N LYS A 94 23.774 -7.363 83.994 1.00 0.00 N ATOM 1442 CA LYS A 94 23.346 -6.167 84.785 1.00 0.00 C ATOM 1443 C LYS A 94 23.219 -4.952 83.860 1.00 0.00 C ATOM 1444 O LYS A 94 22.470 -4.032 84.121 1.00 0.00 O ATOM 1445 CB LYS A 94 24.336 -5.897 85.929 1.00 0.00 C ATOM 1446 CG LYS A 94 25.709 -5.474 85.394 1.00 0.00 C ATOM 1447 CD LYS A 94 26.491 -6.706 84.904 1.00 0.00 C ATOM 1448 CE LYS A 94 26.737 -6.588 83.399 1.00 0.00 C ATOM 1449 NZ LYS A 94 27.701 -7.634 82.964 1.00 0.00 N ATOM 0 H LYS A 94 24.170 -7.162 83.075 1.00 0.00 H new ATOM 0 HA LYS A 94 22.371 -6.362 85.231 1.00 0.00 H new ATOM 0 HB2 LYS A 94 23.940 -5.115 86.578 1.00 0.00 H new ATOM 0 HB3 LYS A 94 24.442 -6.794 86.539 1.00 0.00 H new ATOM 0 HG2 LYS A 94 25.586 -4.764 84.577 1.00 0.00 H new ATOM 0 HG3 LYS A 94 26.271 -4.965 86.177 1.00 0.00 H new ATOM 0 HD2 LYS A 94 27.441 -6.782 85.434 1.00 0.00 H new ATOM 0 HD3 LYS A 94 25.931 -7.616 85.122 1.00 0.00 H new ATOM 0 HE2 LYS A 94 25.797 -6.698 82.858 1.00 0.00 H new ATOM 0 HE3 LYS A 94 27.128 -5.599 83.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 28.303 -7.257 82.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 28.295 -7.915 83.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 27.179 -8.462 82.613 1.00 0.00 H new ATOM 1463 N THR A 95 23.924 -4.967 82.766 1.00 0.00 N ATOM 1464 CA THR A 95 23.843 -3.856 81.780 1.00 0.00 C ATOM 1465 C THR A 95 23.760 -4.509 80.403 1.00 0.00 C ATOM 1466 O THR A 95 24.347 -4.057 79.442 1.00 0.00 O ATOM 1467 CB THR A 95 25.105 -2.984 81.868 1.00 0.00 C ATOM 1468 OG1 THR A 95 25.569 -2.957 83.209 1.00 0.00 O ATOM 1469 CG2 THR A 95 24.793 -1.556 81.407 1.00 0.00 C ATOM 0 H THR A 95 24.566 -5.717 82.509 1.00 0.00 H new ATOM 0 HA THR A 95 22.980 -3.218 81.971 1.00 0.00 H new ATOM 0 HB THR A 95 25.874 -3.406 81.221 1.00 0.00 H new ATOM 0 HG1 THR A 95 26.543 -2.847 83.216 1.00 0.00 H new ATOM 0 HG21 THR A 95 25.695 -0.947 81.474 1.00 0.00 H new ATOM 0 HG22 THR A 95 24.443 -1.575 80.375 1.00 0.00 H new ATOM 0 HG23 THR A 95 24.019 -1.129 82.044 1.00 0.00 H new ATOM 1477 N VAL A 96 23.058 -5.611 80.329 1.00 0.00 N ATOM 1478 CA VAL A 96 22.951 -6.364 79.055 1.00 0.00 C ATOM 1479 C VAL A 96 21.968 -5.674 78.096 1.00 0.00 C ATOM 1480 O VAL A 96 21.901 -6.009 76.928 1.00 0.00 O ATOM 1481 CB VAL A 96 22.496 -7.801 79.397 1.00 0.00 C ATOM 1482 CG1 VAL A 96 21.270 -8.202 78.580 1.00 0.00 C ATOM 1483 CG2 VAL A 96 23.635 -8.785 79.109 1.00 0.00 C ATOM 0 H VAL A 96 22.549 -6.022 81.112 1.00 0.00 H new ATOM 0 HA VAL A 96 23.914 -6.394 78.546 1.00 0.00 H new ATOM 0 HB VAL A 96 22.233 -7.829 80.454 1.00 0.00 H new ATOM 0 HG11 VAL A 96 20.974 -9.218 78.843 1.00 0.00 H new ATOM 0 HG12 VAL A 96 20.449 -7.518 78.795 1.00 0.00 H new ATOM 0 HG13 VAL A 96 21.510 -8.158 77.518 1.00 0.00 H new ATOM 0 HG21 VAL A 96 23.311 -9.797 79.351 1.00 0.00 H new ATOM 0 HG22 VAL A 96 23.903 -8.732 78.054 1.00 0.00 H new ATOM 0 HG23 VAL A 96 24.502 -8.526 79.717 1.00 0.00 H new ATOM 1493 N LYS A 97 21.225 -4.696 78.552 1.00 0.00 N ATOM 1494 CA LYS A 97 20.293 -4.000 77.613 1.00 0.00 C ATOM 1495 C LYS A 97 19.857 -2.624 78.157 1.00 0.00 C ATOM 1496 O LYS A 97 19.083 -1.935 77.524 1.00 0.00 O ATOM 1497 CB LYS A 97 19.060 -4.877 77.348 1.00 0.00 C ATOM 1498 CG LYS A 97 19.053 -5.317 75.881 1.00 0.00 C ATOM 1499 CD LYS A 97 17.748 -6.052 75.570 1.00 0.00 C ATOM 1500 CE LYS A 97 17.585 -6.199 74.054 1.00 0.00 C ATOM 1501 NZ LYS A 97 18.808 -6.824 73.476 1.00 0.00 N ATOM 0 H LYS A 97 21.222 -4.355 79.513 1.00 0.00 H new ATOM 0 HA LYS A 97 20.827 -3.833 76.678 1.00 0.00 H new ATOM 0 HB2 LYS A 97 19.074 -5.750 78.001 1.00 0.00 H new ATOM 0 HB3 LYS A 97 18.150 -4.323 77.577 1.00 0.00 H new ATOM 0 HG2 LYS A 97 19.157 -4.449 75.230 1.00 0.00 H new ATOM 0 HG3 LYS A 97 19.905 -5.968 75.682 1.00 0.00 H new ATOM 0 HD2 LYS A 97 17.752 -7.035 76.042 1.00 0.00 H new ATOM 0 HD3 LYS A 97 16.903 -5.503 75.985 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.711 -6.811 73.830 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.415 -5.223 73.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 18.592 -7.199 72.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 19.561 -6.110 73.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 19.126 -7.599 74.092 1.00 0.00 H new ATOM 1515 N GLY A 98 20.355 -2.188 79.291 1.00 0.00 N ATOM 1516 CA GLY A 98 19.959 -0.836 79.790 1.00 0.00 C ATOM 1517 C GLY A 98 20.609 0.197 78.873 1.00 0.00 C ATOM 1518 O GLY A 98 21.291 -0.173 77.940 1.00 0.00 O ATOM 0 H GLY A 98 21.008 -2.702 79.883 1.00 0.00 H new ATOM 0 HA2 GLY A 98 18.875 -0.727 79.783 1.00 0.00 H new ATOM 0 HA3 GLY A 98 20.287 -0.696 80.820 1.00 0.00 H new ATOM 1522 N PRO A 99 20.411 1.459 79.154 1.00 0.00 N ATOM 1523 CA PRO A 99 21.023 2.515 78.339 1.00 0.00 C ATOM 1524 C PRO A 99 22.506 2.218 78.195 1.00 0.00 C ATOM 1525 O PRO A 99 22.948 1.682 77.201 1.00 0.00 O ATOM 1526 CB PRO A 99 20.779 3.813 79.125 1.00 0.00 C ATOM 1527 CG PRO A 99 19.949 3.440 80.382 1.00 0.00 C ATOM 1528 CD PRO A 99 19.595 1.943 80.282 1.00 0.00 C ATOM 0 HA PRO A 99 20.609 2.588 77.333 1.00 0.00 H new ATOM 0 HB2 PRO A 99 21.725 4.273 79.411 1.00 0.00 H new ATOM 0 HB3 PRO A 99 20.244 4.539 78.512 1.00 0.00 H new ATOM 0 HG2 PRO A 99 20.519 3.638 81.290 1.00 0.00 H new ATOM 0 HG3 PRO A 99 19.044 4.044 80.436 1.00 0.00 H new ATOM 0 HD2 PRO A 99 19.835 1.414 81.204 1.00 0.00 H new ATOM 0 HD3 PRO A 99 18.531 1.796 80.097 1.00 0.00 H new ATOM 1536 N ASP A 100 23.273 2.543 79.186 1.00 0.00 N ATOM 1537 CA ASP A 100 24.724 2.259 79.113 1.00 0.00 C ATOM 1538 C ASP A 100 25.222 1.876 80.506 1.00 0.00 C ATOM 1539 O ASP A 100 24.632 1.059 81.191 1.00 0.00 O ATOM 1540 CB ASP A 100 25.467 3.501 78.613 1.00 0.00 C ATOM 1541 CG ASP A 100 26.925 3.141 78.314 1.00 0.00 C ATOM 1542 OD1 ASP A 100 27.161 2.496 77.305 1.00 0.00 O ATOM 1543 OD2 ASP A 100 27.779 3.515 79.100 1.00 0.00 O ATOM 0 H ASP A 100 22.959 2.994 80.045 1.00 0.00 H new ATOM 0 HA ASP A 100 24.909 1.438 78.421 1.00 0.00 H new ATOM 0 HB2 ASP A 100 24.986 3.888 77.715 1.00 0.00 H new ATOM 0 HB3 ASP A 100 25.423 4.290 79.364 1.00 0.00 H new ATOM 1548 N GLY A 101 26.298 2.461 80.928 1.00 0.00 N ATOM 1549 CA GLY A 101 26.851 2.139 82.273 1.00 0.00 C ATOM 1550 C GLY A 101 25.795 2.396 83.358 1.00 0.00 C ATOM 1551 O GLY A 101 26.040 2.199 84.539 1.00 0.00 O ATOM 0 H GLY A 101 26.826 3.155 80.399 1.00 0.00 H new ATOM 0 HA2 GLY A 101 27.168 1.096 82.304 1.00 0.00 H new ATOM 0 HA3 GLY A 101 27.735 2.747 82.465 1.00 0.00 H new ATOM 1555 N LEU A 102 24.608 2.813 82.983 1.00 0.00 N ATOM 1556 CA LEU A 102 23.564 3.057 84.016 1.00 0.00 C ATOM 1557 C LEU A 102 23.503 1.864 84.924 1.00 0.00 C ATOM 1558 O LEU A 102 23.932 1.928 86.058 1.00 0.00 O ATOM 1559 CB LEU A 102 22.183 3.258 83.380 1.00 0.00 C ATOM 1560 CG LEU A 102 21.133 3.706 84.429 1.00 0.00 C ATOM 1561 CD1 LEU A 102 19.762 3.776 83.765 1.00 0.00 C ATOM 1562 CD2 LEU A 102 21.039 2.715 85.601 1.00 0.00 C ATOM 0 H LEU A 102 24.324 2.991 82.020 1.00 0.00 H new ATOM 0 HA LEU A 102 23.826 3.961 84.566 1.00 0.00 H new ATOM 0 HB2 LEU A 102 22.251 4.006 82.590 1.00 0.00 H new ATOM 0 HB3 LEU A 102 21.858 2.329 82.913 1.00 0.00 H new ATOM 0 HG LEU A 102 21.443 4.678 84.812 1.00 0.00 H new ATOM 0 HD11 LEU A 102 19.019 4.091 84.497 1.00 0.00 H new ATOM 0 HD12 LEU A 102 19.791 4.494 82.946 1.00 0.00 H new ATOM 0 HD13 LEU A 102 19.495 2.793 83.377 1.00 0.00 H new ATOM 0 HD21 LEU A 102 20.293 3.065 86.314 1.00 0.00 H new ATOM 0 HD22 LEU A 102 20.750 1.733 85.225 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.008 2.643 86.096 1.00 0.00 H new ATOM 1574 N THR A 103 22.934 0.785 84.465 1.00 0.00 N ATOM 1575 CA THR A 103 22.807 -0.392 85.356 1.00 0.00 C ATOM 1576 C THR A 103 22.851 0.105 86.802 1.00 0.00 C ATOM 1577 O THR A 103 21.933 0.743 87.289 1.00 0.00 O ATOM 1578 CB THR A 103 23.956 -1.382 85.119 1.00 0.00 C ATOM 1579 OG1 THR A 103 24.065 -2.240 86.247 1.00 0.00 O ATOM 1580 CG2 THR A 103 25.283 -0.638 84.917 1.00 0.00 C ATOM 0 H THR A 103 22.557 0.671 83.524 1.00 0.00 H new ATOM 0 HA THR A 103 21.869 -0.908 85.150 1.00 0.00 H new ATOM 0 HB THR A 103 23.744 -1.961 84.220 1.00 0.00 H new ATOM 0 HG1 THR A 103 24.796 -2.877 86.104 1.00 0.00 H new ATOM 0 HG21 THR A 103 26.083 -1.359 84.751 1.00 0.00 H new ATOM 0 HG22 THR A 103 25.203 0.021 84.052 1.00 0.00 H new ATOM 0 HG23 THR A 103 25.507 -0.046 85.804 1.00 0.00 H new ATOM 1588 N ALA A 104 23.910 -0.175 87.487 1.00 0.00 N ATOM 1589 CA ALA A 104 24.020 0.267 88.907 1.00 0.00 C ATOM 1590 C ALA A 104 24.734 1.628 89.021 1.00 0.00 C ATOM 1591 O ALA A 104 24.508 2.366 89.953 1.00 0.00 O ATOM 1592 CB ALA A 104 24.814 -0.785 89.688 1.00 0.00 C ATOM 0 H ALA A 104 24.713 -0.693 87.131 1.00 0.00 H new ATOM 0 HA ALA A 104 23.015 0.378 89.315 1.00 0.00 H new ATOM 0 HB1 ALA A 104 24.903 -0.475 90.729 1.00 0.00 H new ATOM 0 HB2 ALA A 104 24.297 -1.743 89.637 1.00 0.00 H new ATOM 0 HB3 ALA A 104 25.809 -0.887 89.254 1.00 0.00 H new ATOM 1598 N LEU A 105 25.623 1.945 88.114 1.00 0.00 N ATOM 1599 CA LEU A 105 26.384 3.219 88.225 1.00 0.00 C ATOM 1600 C LEU A 105 25.477 4.447 88.336 1.00 0.00 C ATOM 1601 O LEU A 105 25.465 5.126 89.348 1.00 0.00 O ATOM 1602 CB LEU A 105 27.256 3.400 86.991 1.00 0.00 C ATOM 1603 CG LEU A 105 28.008 2.111 86.659 1.00 0.00 C ATOM 1604 CD1 LEU A 105 28.971 2.390 85.503 1.00 0.00 C ATOM 1605 CD2 LEU A 105 28.803 1.634 87.882 1.00 0.00 C ATOM 0 H LEU A 105 25.853 1.373 87.301 1.00 0.00 H new ATOM 0 HA LEU A 105 26.979 3.146 89.136 1.00 0.00 H new ATOM 0 HB2 LEU A 105 26.637 3.693 86.143 1.00 0.00 H new ATOM 0 HB3 LEU A 105 27.968 4.208 87.160 1.00 0.00 H new ATOM 0 HG LEU A 105 27.296 1.335 86.378 1.00 0.00 H new ATOM 0 HD11 LEU A 105 29.515 1.479 85.255 1.00 0.00 H new ATOM 0 HD12 LEU A 105 28.407 2.725 84.632 1.00 0.00 H new ATOM 0 HD13 LEU A 105 29.678 3.166 85.797 1.00 0.00 H new ATOM 0 HD21 LEU A 105 29.335 0.715 87.635 1.00 0.00 H new ATOM 0 HD22 LEU A 105 29.520 2.402 88.172 1.00 0.00 H new ATOM 0 HD23 LEU A 105 28.119 1.446 88.710 1.00 0.00 H new ATOM 1617 N GLU A 106 24.761 4.774 87.299 1.00 0.00 N ATOM 1618 CA GLU A 106 23.917 5.988 87.344 1.00 0.00 C ATOM 1619 C GLU A 106 22.606 5.703 88.080 1.00 0.00 C ATOM 1620 O GLU A 106 21.768 6.574 88.232 1.00 0.00 O ATOM 1621 CB GLU A 106 23.623 6.434 85.911 1.00 0.00 C ATOM 1622 CG GLU A 106 24.934 6.517 85.123 1.00 0.00 C ATOM 1623 CD GLU A 106 25.836 7.584 85.747 1.00 0.00 C ATOM 1624 OE1 GLU A 106 26.570 7.250 86.661 1.00 0.00 O ATOM 1625 OE2 GLU A 106 25.777 8.718 85.299 1.00 0.00 O ATOM 0 H GLU A 106 24.726 4.251 86.424 1.00 0.00 H new ATOM 0 HA GLU A 106 24.445 6.777 87.880 1.00 0.00 H new ATOM 0 HB2 GLU A 106 22.942 5.730 85.432 1.00 0.00 H new ATOM 0 HB3 GLU A 106 23.127 7.404 85.915 1.00 0.00 H new ATOM 0 HG2 GLU A 106 25.437 5.550 85.130 1.00 0.00 H new ATOM 0 HG3 GLU A 106 24.730 6.762 84.081 1.00 0.00 H new ATOM 1632 N ALA A 107 22.410 4.496 88.532 1.00 0.00 N ATOM 1633 CA ALA A 107 21.142 4.184 89.248 1.00 0.00 C ATOM 1634 C ALA A 107 21.166 4.680 90.702 1.00 0.00 C ATOM 1635 O ALA A 107 20.188 5.215 91.184 1.00 0.00 O ATOM 1636 CB ALA A 107 20.920 2.674 89.261 1.00 0.00 C ATOM 0 H ALA A 107 23.065 3.720 88.438 1.00 0.00 H new ATOM 0 HA ALA A 107 20.337 4.694 88.719 1.00 0.00 H new ATOM 0 HB1 ALA A 107 19.992 2.447 89.785 1.00 0.00 H new ATOM 0 HB2 ALA A 107 20.857 2.307 88.237 1.00 0.00 H new ATOM 0 HB3 ALA A 107 21.752 2.188 89.770 1.00 0.00 H new ATOM 1642 N THR A 108 22.226 4.463 91.437 1.00 0.00 N ATOM 1643 CA THR A 108 22.199 4.887 92.863 1.00 0.00 C ATOM 1644 C THR A 108 23.601 5.070 93.448 1.00 0.00 C ATOM 1645 O THR A 108 24.566 5.342 92.762 1.00 0.00 O ATOM 1646 CB THR A 108 21.524 3.769 93.644 1.00 0.00 C ATOM 1647 OG1 THR A 108 21.401 4.140 95.009 1.00 0.00 O ATOM 1648 CG2 THR A 108 22.389 2.511 93.530 1.00 0.00 C ATOM 0 H THR A 108 23.089 4.021 91.119 1.00 0.00 H new ATOM 0 HA THR A 108 21.678 5.842 92.930 1.00 0.00 H new ATOM 0 HB THR A 108 20.529 3.581 93.241 1.00 0.00 H new ATOM 0 HG1 THR A 108 21.218 5.101 95.072 1.00 0.00 H new ATOM 0 HG21 THR A 108 21.922 1.697 94.084 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.484 2.229 92.481 1.00 0.00 H new ATOM 0 HG23 THR A 108 23.378 2.711 93.943 1.00 0.00 H new ATOM 1656 N ASP A 109 23.690 4.884 94.742 1.00 0.00 N ATOM 1657 CA ASP A 109 24.982 4.991 95.460 1.00 0.00 C ATOM 1658 C ASP A 109 24.971 4.009 96.641 1.00 0.00 C ATOM 1659 O ASP A 109 25.953 3.869 97.343 1.00 0.00 O ATOM 1660 CB ASP A 109 25.200 6.415 95.976 1.00 0.00 C ATOM 1661 CG ASP A 109 26.646 6.559 96.460 1.00 0.00 C ATOM 1662 OD1 ASP A 109 27.474 5.773 96.030 1.00 0.00 O ATOM 1663 OD2 ASP A 109 26.900 7.451 97.252 1.00 0.00 O ATOM 0 H ASP A 109 22.895 4.657 95.339 1.00 0.00 H new ATOM 0 HA ASP A 109 25.794 4.749 94.774 1.00 0.00 H new ATOM 0 HB2 ASP A 109 24.995 7.137 95.185 1.00 0.00 H new ATOM 0 HB3 ASP A 109 24.508 6.629 96.790 1.00 0.00 H new ATOM 1668 N ASN A 110 23.882 3.299 96.851 1.00 0.00 N ATOM 1669 CA ASN A 110 23.860 2.309 97.970 1.00 0.00 C ATOM 1670 C ASN A 110 24.627 1.075 97.485 1.00 0.00 C ATOM 1671 O ASN A 110 24.477 0.644 96.362 1.00 0.00 O ATOM 1672 CB ASN A 110 22.416 1.966 98.377 1.00 0.00 C ATOM 1673 CG ASN A 110 21.726 1.186 97.271 1.00 0.00 C ATOM 1674 OD1 ASN A 110 22.178 1.284 96.062 1.00 0.00 O flip ATOM 1675 ND2 ASN A 110 20.767 0.479 97.516 1.00 0.00 N flip ATOM 0 H ASN A 110 23.024 3.363 96.304 1.00 0.00 H new ATOM 0 HA ASN A 110 24.332 2.717 98.864 1.00 0.00 H new ATOM 0 HB2 ASN A 110 22.420 1.380 99.296 1.00 0.00 H new ATOM 0 HB3 ASN A 110 21.863 2.882 98.585 1.00 0.00 H new ATOM 0 HD21 ASN A 110 20.417 0.407 98.471 1.00 0.00 H new ATOM 0 HD22 ASN A 110 20.313 -0.042 96.766 1.00 0.00 H new ATOM 1682 N GLN A 111 25.511 0.571 98.298 1.00 0.00 N ATOM 1683 CA GLN A 111 26.396 -0.564 97.880 1.00 0.00 C ATOM 1684 C GLN A 111 25.655 -1.910 97.692 1.00 0.00 C ATOM 1685 O GLN A 111 26.276 -2.912 97.395 1.00 0.00 O ATOM 1686 CB GLN A 111 27.519 -0.666 98.930 1.00 0.00 C ATOM 1687 CG GLN A 111 28.022 -2.097 99.089 1.00 0.00 C ATOM 1688 CD GLN A 111 29.124 -2.101 100.146 1.00 0.00 C ATOM 1689 OE1 GLN A 111 29.035 -2.814 101.123 1.00 0.00 O ATOM 1690 NE2 GLN A 111 30.156 -1.312 100.003 1.00 0.00 N ATOM 0 H GLN A 111 25.664 0.899 99.251 1.00 0.00 H new ATOM 0 HA GLN A 111 26.798 -0.353 96.889 1.00 0.00 H new ATOM 0 HB2 GLN A 111 28.348 -0.020 98.639 1.00 0.00 H new ATOM 0 HB3 GLN A 111 27.153 -0.301 99.890 1.00 0.00 H new ATOM 0 HG2 GLN A 111 27.206 -2.756 99.388 1.00 0.00 H new ATOM 0 HG3 GLN A 111 28.404 -2.473 98.140 1.00 0.00 H new ATOM 0 HE21 GLN A 111 30.230 -0.713 99.181 1.00 0.00 H new ATOM 0 HE22 GLN A 111 30.888 -1.295 100.714 1.00 0.00 H new ATOM 1699 N ALA A 112 24.356 -1.962 97.805 1.00 0.00 N ATOM 1700 CA ALA A 112 23.657 -3.271 97.582 1.00 0.00 C ATOM 1701 C ALA A 112 23.464 -3.464 96.076 1.00 0.00 C ATOM 1702 O ALA A 112 23.673 -4.530 95.510 1.00 0.00 O ATOM 1703 CB ALA A 112 22.283 -3.255 98.260 1.00 0.00 C ATOM 0 H ALA A 112 23.753 -1.173 98.038 1.00 0.00 H new ATOM 0 HA ALA A 112 24.253 -4.081 98.003 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.783 -4.209 98.093 1.00 0.00 H new ATOM 0 HB2 ALA A 112 22.408 -3.094 99.331 1.00 0.00 H new ATOM 0 HB3 ALA A 112 21.679 -2.451 97.840 1.00 0.00 H new ATOM 1709 N ILE A 113 23.098 -2.409 95.434 1.00 0.00 N ATOM 1710 CA ILE A 113 22.891 -2.422 93.960 1.00 0.00 C ATOM 1711 C ILE A 113 24.239 -2.615 93.291 1.00 0.00 C ATOM 1712 O ILE A 113 24.468 -3.544 92.537 1.00 0.00 O ATOM 1713 CB ILE A 113 22.353 -1.044 93.562 1.00 0.00 C ATOM 1714 CG1 ILE A 113 20.836 -0.987 93.718 1.00 0.00 C ATOM 1715 CG2 ILE A 113 22.724 -0.738 92.115 1.00 0.00 C ATOM 1716 CD1 ILE A 113 20.457 -0.893 95.201 1.00 0.00 C ATOM 0 H ILE A 113 22.926 -1.506 95.875 1.00 0.00 H new ATOM 0 HA ILE A 113 22.204 -3.215 93.666 1.00 0.00 H new ATOM 0 HB ILE A 113 22.802 -0.301 94.221 1.00 0.00 H new ATOM 0 HG12 ILE A 113 20.440 -0.126 93.179 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.384 -1.875 93.276 1.00 0.00 H new ATOM 0 HG21 ILE A 113 22.338 0.243 91.840 1.00 0.00 H new ATOM 0 HG22 ILE A 113 23.809 -0.744 92.008 1.00 0.00 H new ATOM 0 HG23 ILE A 113 22.291 -1.495 91.461 1.00 0.00 H new ATOM 0 HD11 ILE A 113 19.372 -0.853 95.297 1.00 0.00 H new ATOM 0 HD12 ILE A 113 20.836 -1.768 95.730 1.00 0.00 H new ATOM 0 HD13 ILE A 113 20.893 0.009 95.632 1.00 0.00 H new ATOM 1728 N LYS A 114 25.130 -1.714 93.561 1.00 0.00 N ATOM 1729 CA LYS A 114 26.469 -1.790 92.960 1.00 0.00 C ATOM 1730 C LYS A 114 27.038 -3.177 93.245 1.00 0.00 C ATOM 1731 O LYS A 114 28.011 -3.600 92.649 1.00 0.00 O ATOM 1732 CB LYS A 114 27.321 -0.650 93.538 1.00 0.00 C ATOM 1733 CG LYS A 114 26.374 0.521 93.868 1.00 0.00 C ATOM 1734 CD LYS A 114 27.073 1.866 93.660 1.00 0.00 C ATOM 1735 CE LYS A 114 27.053 2.248 92.171 1.00 0.00 C ATOM 1736 NZ LYS A 114 28.448 2.264 91.657 1.00 0.00 N ATOM 0 H LYS A 114 24.980 -0.919 94.182 1.00 0.00 H new ATOM 0 HA LYS A 114 26.451 -1.662 91.878 1.00 0.00 H new ATOM 0 HB2 LYS A 114 27.846 -0.981 94.434 1.00 0.00 H new ATOM 0 HB3 LYS A 114 28.080 -0.338 92.821 1.00 0.00 H new ATOM 0 HG2 LYS A 114 25.488 0.466 93.236 1.00 0.00 H new ATOM 0 HG3 LYS A 114 26.035 0.439 94.901 1.00 0.00 H new ATOM 0 HD2 LYS A 114 26.576 2.638 94.248 1.00 0.00 H new ATOM 0 HD3 LYS A 114 28.102 1.808 94.015 1.00 0.00 H new ATOM 0 HE2 LYS A 114 26.452 1.534 91.607 1.00 0.00 H new ATOM 0 HE3 LYS A 114 26.592 3.227 92.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 28.462 2.682 90.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 29.046 2.830 92.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 28.813 1.291 91.613 1.00 0.00 H new ATOM 1750 N ALA A 115 26.388 -3.924 94.105 1.00 0.00 N ATOM 1751 CA ALA A 115 26.852 -5.306 94.351 1.00 0.00 C ATOM 1752 C ALA A 115 26.708 -6.035 93.022 1.00 0.00 C ATOM 1753 O ALA A 115 27.516 -6.868 92.664 1.00 0.00 O ATOM 1754 CB ALA A 115 25.998 -5.991 95.424 1.00 0.00 C ATOM 0 H ALA A 115 25.568 -3.633 94.636 1.00 0.00 H new ATOM 0 HA ALA A 115 27.880 -5.316 94.712 1.00 0.00 H new ATOM 0 HB1 ALA A 115 26.361 -7.006 95.585 1.00 0.00 H new ATOM 0 HB2 ALA A 115 26.065 -5.429 96.356 1.00 0.00 H new ATOM 0 HB3 ALA A 115 24.959 -6.025 95.095 1.00 0.00 H new ATOM 1760 N LEU A 116 25.687 -5.699 92.265 1.00 0.00 N ATOM 1761 CA LEU A 116 25.528 -6.349 90.936 1.00 0.00 C ATOM 1762 C LEU A 116 26.620 -5.806 90.009 1.00 0.00 C ATOM 1763 O LEU A 116 26.857 -6.335 88.942 1.00 0.00 O ATOM 1764 CB LEU A 116 24.151 -6.029 90.332 1.00 0.00 C ATOM 1765 CG LEU A 116 23.200 -7.229 90.469 1.00 0.00 C ATOM 1766 CD1 LEU A 116 21.920 -6.947 89.681 1.00 0.00 C ATOM 1767 CD2 LEU A 116 23.848 -8.507 89.915 1.00 0.00 C ATOM 0 H LEU A 116 24.972 -5.014 92.510 1.00 0.00 H new ATOM 0 HA LEU A 116 25.610 -7.430 91.049 1.00 0.00 H new ATOM 0 HB2 LEU A 116 23.722 -5.161 90.833 1.00 0.00 H new ATOM 0 HB3 LEU A 116 24.263 -5.767 89.280 1.00 0.00 H new ATOM 0 HG LEU A 116 22.977 -7.375 91.526 1.00 0.00 H new ATOM 0 HD11 LEU A 116 21.241 -7.795 89.774 1.00 0.00 H new ATOM 0 HD12 LEU A 116 21.439 -6.052 90.076 1.00 0.00 H new ATOM 0 HD13 LEU A 116 22.166 -6.793 88.630 1.00 0.00 H new ATOM 0 HD21 LEU A 116 23.156 -9.342 90.023 1.00 0.00 H new ATOM 0 HD22 LEU A 116 24.086 -8.367 88.860 1.00 0.00 H new ATOM 0 HD23 LEU A 116 24.763 -8.720 90.468 1.00 0.00 H new ATOM 1779 N LEU A 117 27.300 -4.765 90.422 1.00 0.00 N ATOM 1780 CA LEU A 117 28.400 -4.214 89.573 1.00 0.00 C ATOM 1781 C LEU A 117 29.631 -5.079 89.816 1.00 0.00 C ATOM 1782 O LEU A 117 30.712 -4.802 89.339 1.00 0.00 O ATOM 1783 CB LEU A 117 28.708 -2.750 89.956 1.00 0.00 C ATOM 1784 CG LEU A 117 29.049 -1.921 88.703 1.00 0.00 C ATOM 1785 CD1 LEU A 117 30.244 -2.535 87.969 1.00 0.00 C ATOM 1786 CD2 LEU A 117 27.843 -1.878 87.752 1.00 0.00 C ATOM 0 H LEU A 117 27.143 -4.276 91.303 1.00 0.00 H new ATOM 0 HA LEU A 117 28.108 -4.227 88.523 1.00 0.00 H new ATOM 0 HB2 LEU A 117 27.849 -2.313 90.465 1.00 0.00 H new ATOM 0 HB3 LEU A 117 29.542 -2.720 90.657 1.00 0.00 H new ATOM 0 HG LEU A 117 29.300 -0.909 89.020 1.00 0.00 H new ATOM 0 HD11 LEU A 117 30.474 -1.939 87.086 1.00 0.00 H new ATOM 0 HD12 LEU A 117 31.109 -2.550 88.632 1.00 0.00 H new ATOM 0 HD13 LEU A 117 30.001 -3.553 87.666 1.00 0.00 H new ATOM 0 HD21 LEU A 117 28.096 -1.289 86.870 1.00 0.00 H new ATOM 0 HD22 LEU A 117 27.582 -2.892 87.449 1.00 0.00 H new ATOM 0 HD23 LEU A 117 26.994 -1.422 88.261 1.00 0.00 H new ATOM 1798 N GLN A 118 29.454 -6.134 90.564 1.00 0.00 N ATOM 1799 CA GLN A 118 30.583 -7.055 90.866 1.00 0.00 C ATOM 1800 C GLN A 118 30.971 -7.804 89.589 1.00 0.00 C ATOM 1801 O GLN A 118 31.940 -8.544 89.627 1.00 0.00 O ATOM 1802 CB GLN A 118 30.131 -8.069 91.928 1.00 0.00 C ATOM 1803 CG GLN A 118 29.039 -8.978 91.347 1.00 0.00 C ATOM 1804 CD GLN A 118 29.684 -10.116 90.551 1.00 0.00 C ATOM 1805 OE1 GLN A 118 30.703 -10.754 91.057 1.00 0.00 O flip ATOM 1806 NE2 GLN A 118 29.256 -10.425 89.456 1.00 0.00 N flip ATOM 1807 OXT GLN A 118 30.288 -7.625 88.595 1.00 0.00 O ATOM 0 H GLN A 118 28.563 -6.399 90.983 1.00 0.00 H new ATOM 0 HA GLN A 118 31.437 -6.488 91.236 1.00 0.00 H new ATOM 0 HB2 GLN A 118 30.980 -8.669 92.256 1.00 0.00 H new ATOM 0 HB3 GLN A 118 29.752 -7.546 92.806 1.00 0.00 H new ATOM 0 HG2 GLN A 118 28.426 -9.386 92.151 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.376 -8.400 90.702 1.00 0.00 H new ATOM 0 HE21 GLN A 118 28.459 -9.926 89.060 1.00 0.00 H new ATOM 0 HE22 GLN A 118 29.694 -11.183 88.933 1.00 0.00 H new