USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=30 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 40 HIS : no HD1:sc= -0.606 K(o=-0.13,f=-5.6) USER MOD Set 1.2: A 74 SER OG : rot 161:sc= 0.473 USER MOD Single : A 4 LYS NZ :NH3+ -164:sc=-0.00144 (180deg=-0.215) USER MOD Single : A 7 MET CE :methyl 160:sc= -0.371 (180deg=-1.48!) USER MOD Single : A 11 LYS NZ :NH3+ 157:sc=-0.00467 (180deg=-0.581) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 19 LYS NZ :NH3+ -121:sc= 0.596 (180deg=-0.0567) 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= -0.271 F(o=-1.9,f=-0.27) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 170:sc= -0.0724 (180deg=-0.205) USER MOD Single : A 41 TYR OH : rot 101:sc= 0.233 USER MOD Single : A 45 CYS SG : rot -82:sc= -0.401! USER MOD Single : A 47 GLN :FLIP amide:sc= -4.23! C(o=-6.6!,f=-4.2!) USER MOD Single : A 57 LYS NZ :NH3+ -112:sc= -2.89 (180deg=-6.41!) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.748 F(o=-8.8!,f=-0.75) USER MOD Single : A 66 LYS NZ :NH3+ -159:sc= -0.109 (180deg=-0.605) USER MOD Single : A 67 HIS : no HD1:sc= -1.17 X(o=-1.2,f=-1.3) USER MOD Single : A 68 HIS : no HD1:sc= -1.94 X(o=-1.9,f=-2.3!) USER MOD Single : A 70 THR OG1 : rot -166:sc= -10.9! USER MOD Single : A 77 TYR OH : rot -140:sc= -0.104 USER MOD Single : A 80 HIS : no HD1:sc= -0.85 K(o=-0.85,f=-5.6!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 180:sc= -1.18 USER MOD Single : A 85 LYS NZ :NH3+ 153:sc= -1.31 (180deg=-2.46) USER MOD Single : A 89 SER OG : rot -35:sc= 0.07 USER MOD Single : A 90 LYS NZ :NH3+ 158:sc= -1.06 (180deg=-1.59!) USER MOD Single : A 94 LYS NZ :NH3+ 158:sc= -0.447! (180deg=-2.02!) USER MOD Single : A 95 THR OG1 : rot 180:sc= -1.33 USER MOD Single : A 97 LYS NZ :NH3+ -155:sc= -0.217 (180deg=-1.02) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.358! USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.468! USER MOD Single : A 110 ASN :FLIP amide:sc= -16.8! C(o=-22!,f=-17!) USER MOD Single : A 111 GLN : amide:sc= -0.134 X(o=-0.13,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 171:sc= 0.389 (180deg=-0.0846) USER MOD Single : A 118 GLN :FLIP amide:sc= -2.89! C(o=-3.8!,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 -6.093 -7.044 86.466 1.00 0.00 N ATOM 44 CA LYS A 4 -5.904 -6.980 87.942 1.00 0.00 C ATOM 45 C LYS A 4 -5.864 -8.396 88.523 1.00 0.00 C ATOM 46 O LYS A 4 -5.075 -8.699 89.395 1.00 0.00 O ATOM 47 CB LYS A 4 -7.076 -6.217 88.561 1.00 0.00 C ATOM 48 CG LYS A 4 -7.304 -4.915 87.790 1.00 0.00 C ATOM 49 CD LYS A 4 -8.195 -3.982 88.613 1.00 0.00 C ATOM 50 CE LYS A 4 -8.321 -2.635 87.901 1.00 0.00 C ATOM 51 NZ LYS A 4 -7.044 -1.880 88.038 1.00 0.00 N ATOM 0 HA LYS A 4 -4.966 -6.473 88.166 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.977 -6.830 88.534 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.869 -6.000 89.609 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.349 -4.432 87.581 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.772 -5.127 86.828 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.181 -4.428 88.747 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -7.771 -3.841 89.607 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.554 -2.789 86.847 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.143 -2.061 88.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -7.205 -0.880 87.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.700 -1.954 89.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -6.334 -2.278 87.391 1.00 0.00 H new ATOM 65 N GLU A 5 -6.724 -9.258 88.056 1.00 0.00 N ATOM 66 CA GLU A 5 -6.762 -10.651 88.587 1.00 0.00 C ATOM 67 C GLU A 5 -5.412 -11.342 88.343 1.00 0.00 C ATOM 68 O GLU A 5 -4.810 -11.871 89.255 1.00 0.00 O ATOM 69 CB GLU A 5 -7.931 -11.399 87.910 1.00 0.00 C ATOM 70 CG GLU A 5 -7.479 -12.713 87.254 1.00 0.00 C ATOM 71 CD GLU A 5 -8.712 -13.461 86.731 1.00 0.00 C ATOM 72 OE1 GLU A 5 -9.402 -14.065 87.536 1.00 0.00 O ATOM 73 OE2 GLU A 5 -8.952 -13.408 85.534 1.00 0.00 O ATOM 0 H GLU A 5 -7.406 -9.057 87.325 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.928 -10.651 89.664 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.702 -11.611 88.651 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -8.383 -10.755 87.156 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.789 -12.507 86.436 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.943 -13.329 87.976 1.00 0.00 H new ATOM 80 N PHE A 6 -4.931 -11.346 87.132 1.00 0.00 N ATOM 81 CA PHE A 6 -3.625 -12.014 86.852 1.00 0.00 C ATOM 82 C PHE A 6 -2.472 -11.100 87.283 1.00 0.00 C ATOM 83 O PHE A 6 -1.388 -11.555 87.590 1.00 0.00 O ATOM 84 CB PHE A 6 -3.527 -12.293 85.350 1.00 0.00 C ATOM 85 CG PHE A 6 -2.143 -12.792 85.011 1.00 0.00 C ATOM 86 CD1 PHE A 6 -1.692 -14.009 85.534 1.00 0.00 C ATOM 87 CD2 PHE A 6 -1.315 -12.044 84.164 1.00 0.00 C ATOM 88 CE1 PHE A 6 -0.411 -14.475 85.218 1.00 0.00 C ATOM 89 CE2 PHE A 6 -0.034 -12.510 83.847 1.00 0.00 C ATOM 90 CZ PHE A 6 0.417 -13.727 84.371 1.00 0.00 C ATOM 0 H PHE A 6 -5.383 -10.917 86.324 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.562 -12.949 87.409 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -4.272 -13.034 85.059 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.744 -11.385 84.787 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -2.333 -14.589 86.182 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.665 -11.108 83.756 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.061 -15.411 85.627 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.606 -11.931 83.198 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.403 -14.089 84.122 1.00 0.00 H new ATOM 100 N MET A 7 -2.699 -9.817 87.309 1.00 0.00 N ATOM 101 CA MET A 7 -1.620 -8.872 87.717 1.00 0.00 C ATOM 102 C MET A 7 -1.550 -8.784 89.241 1.00 0.00 C ATOM 103 O MET A 7 -0.506 -8.966 89.839 1.00 0.00 O ATOM 104 CB MET A 7 -1.937 -7.485 87.158 1.00 0.00 C ATOM 105 CG MET A 7 -0.800 -6.520 87.502 1.00 0.00 C ATOM 106 SD MET A 7 -0.903 -5.048 86.444 1.00 0.00 S ATOM 107 CE MET A 7 -2.696 -4.805 86.523 1.00 0.00 C ATOM 0 H MET A 7 -3.588 -9.380 87.065 1.00 0.00 H new ATOM 0 HA MET A 7 -0.665 -9.229 87.331 1.00 0.00 H new ATOM 0 HB2 MET A 7 -2.067 -7.539 86.077 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.876 -7.120 87.575 1.00 0.00 H new ATOM 0 HG2 MET A 7 -0.861 -6.230 88.551 1.00 0.00 H new ATOM 0 HG3 MET A 7 0.162 -7.013 87.363 1.00 0.00 H new ATOM 0 HE1 MET A 7 -2.937 -3.778 86.247 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.187 -5.491 85.833 1.00 0.00 H new ATOM 0 HE3 MET A 7 -3.045 -4.999 87.537 1.00 0.00 H new ATOM 117 N TRP A 8 -2.653 -8.488 89.874 1.00 0.00 N ATOM 118 CA TRP A 8 -2.647 -8.363 91.358 1.00 0.00 C ATOM 119 C TRP A 8 -1.959 -9.575 91.977 1.00 0.00 C ATOM 120 O TRP A 8 -1.674 -9.610 93.157 1.00 0.00 O ATOM 121 CB TRP A 8 -4.082 -8.268 91.870 1.00 0.00 C ATOM 122 CG TRP A 8 -4.055 -7.963 93.331 1.00 0.00 C ATOM 123 CD1 TRP A 8 -4.021 -8.889 94.316 1.00 0.00 C ATOM 124 CD2 TRP A 8 -4.048 -6.663 93.989 1.00 0.00 C ATOM 125 NE1 TRP A 8 -3.995 -8.241 95.537 1.00 0.00 N ATOM 126 CE2 TRP A 8 -4.014 -6.868 95.388 1.00 0.00 C ATOM 127 CE3 TRP A 8 -4.075 -5.339 93.513 1.00 0.00 C ATOM 128 CZ2 TRP A 8 -3.998 -5.798 96.285 1.00 0.00 C ATOM 129 CZ3 TRP A 8 -4.060 -4.260 94.413 1.00 0.00 C ATOM 130 CH2 TRP A 8 -4.024 -4.490 95.795 1.00 0.00 C ATOM 0 H TRP A 8 -3.556 -8.328 89.428 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.103 -7.462 91.640 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -4.623 -7.489 91.332 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.609 -9.205 91.690 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.015 -9.959 94.172 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -3.965 -8.719 96.438 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -4.107 -5.151 92.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -3.966 -5.980 97.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -4.076 -3.247 94.038 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -4.016 -3.656 96.481 1.00 0.00 H new ATOM 141 N ALA A 9 -1.684 -10.569 91.189 1.00 0.00 N ATOM 142 CA ALA A 9 -1.009 -11.782 91.716 1.00 0.00 C ATOM 143 C ALA A 9 0.501 -11.510 91.831 1.00 0.00 C ATOM 144 O ALA A 9 1.070 -11.542 92.906 1.00 0.00 O ATOM 145 CB ALA A 9 -1.281 -12.940 90.749 1.00 0.00 C ATOM 0 H ALA A 9 -1.900 -10.594 90.192 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.388 -12.041 92.705 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.794 -13.843 91.117 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.355 -13.110 90.678 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.888 -12.691 89.763 1.00 0.00 H new ATOM 151 N LEU A 10 1.144 -11.235 90.731 1.00 0.00 N ATOM 152 CA LEU A 10 2.616 -10.947 90.748 1.00 0.00 C ATOM 153 C LEU A 10 2.940 -9.949 91.866 1.00 0.00 C ATOM 154 O LEU A 10 4.087 -9.657 92.143 1.00 0.00 O ATOM 155 CB LEU A 10 3.020 -10.301 89.411 1.00 0.00 C ATOM 156 CG LEU A 10 2.746 -11.255 88.241 1.00 0.00 C ATOM 157 CD1 LEU A 10 1.386 -10.943 87.603 1.00 0.00 C ATOM 158 CD2 LEU A 10 3.833 -11.077 87.176 1.00 0.00 C ATOM 0 H LEU A 10 0.712 -11.196 89.808 1.00 0.00 H new ATOM 0 HA LEU A 10 3.155 -11.881 90.908 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.465 -9.374 89.268 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.078 -10.040 89.433 1.00 0.00 H new ATOM 0 HG LEU A 10 2.744 -12.277 88.619 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.207 -11.629 86.775 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.599 -11.061 88.348 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.385 -9.918 87.232 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.641 -11.754 86.343 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.825 -10.048 86.817 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.807 -11.303 87.609 1.00 0.00 H new ATOM 170 N LYS A 11 1.933 -9.388 92.463 1.00 0.00 N ATOM 171 CA LYS A 11 2.136 -8.351 93.514 1.00 0.00 C ATOM 172 C LYS A 11 2.316 -8.928 94.927 1.00 0.00 C ATOM 173 O LYS A 11 3.389 -8.884 95.501 1.00 0.00 O ATOM 174 CB LYS A 11 0.890 -7.477 93.518 1.00 0.00 C ATOM 175 CG LYS A 11 1.004 -6.411 94.599 1.00 0.00 C ATOM 176 CD LYS A 11 -0.080 -5.358 94.373 1.00 0.00 C ATOM 177 CE LYS A 11 -0.299 -4.569 95.661 1.00 0.00 C ATOM 178 NZ LYS A 11 1.023 -4.204 96.245 1.00 0.00 N ATOM 0 H LYS A 11 0.956 -9.606 92.265 1.00 0.00 H new ATOM 0 HA LYS A 11 3.051 -7.808 93.277 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.763 -7.006 92.543 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.006 -8.091 93.693 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.892 -6.861 95.585 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.991 -5.949 94.570 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.214 -4.685 93.567 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.009 -5.837 94.065 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.880 -3.670 95.456 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.872 -5.163 96.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.912 -3.376 96.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.390 -5.004 96.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.690 -3.978 95.480 1.00 0.00 H new ATOM 192 N ASN A 12 1.246 -9.387 95.515 1.00 0.00 N ATOM 193 CA ASN A 12 1.295 -9.879 96.922 1.00 0.00 C ATOM 194 C ASN A 12 1.835 -11.306 97.030 1.00 0.00 C ATOM 195 O ASN A 12 1.355 -12.102 97.812 1.00 0.00 O ATOM 196 CB ASN A 12 -0.117 -9.838 97.486 1.00 0.00 C ATOM 197 CG ASN A 12 -0.470 -8.406 97.898 1.00 0.00 C ATOM 198 OD1 ASN A 12 -1.211 -7.731 97.213 1.00 0.00 O ATOM 199 ND2 ASN A 12 0.037 -7.910 98.994 1.00 0.00 N ATOM 0 H ASN A 12 0.327 -9.443 95.075 1.00 0.00 H new ATOM 0 HA ASN A 12 1.974 -9.236 97.482 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.827 -10.197 96.741 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.194 -10.503 98.346 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -0.190 -6.956 99.274 1.00 0.00 H new ATOM 0 HD22 ASN A 12 0.660 -8.477 99.570 1.00 0.00 H new ATOM 206 N GLY A 13 2.849 -11.620 96.297 1.00 0.00 N ATOM 207 CA GLY A 13 3.446 -12.981 96.403 1.00 0.00 C ATOM 208 C GLY A 13 2.365 -14.061 96.268 1.00 0.00 C ATOM 209 O GLY A 13 2.463 -15.124 96.849 1.00 0.00 O ATOM 0 H GLY A 13 3.298 -10.998 95.625 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.199 -13.114 95.626 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.954 -13.087 97.361 1.00 0.00 H new ATOM 213 N ASP A 14 1.355 -13.812 95.490 1.00 0.00 N ATOM 214 CA ASP A 14 0.277 -14.829 95.278 1.00 0.00 C ATOM 215 C ASP A 14 0.844 -15.976 94.462 1.00 0.00 C ATOM 216 O ASP A 14 0.125 -16.732 93.839 1.00 0.00 O ATOM 217 CB ASP A 14 -0.807 -14.208 94.430 1.00 0.00 C ATOM 218 CG ASP A 14 -0.366 -14.345 92.973 1.00 0.00 C ATOM 219 OD1 ASP A 14 0.669 -13.797 92.645 1.00 0.00 O ATOM 220 OD2 ASP A 14 -1.016 -15.062 92.238 1.00 0.00 O ATOM 0 H ASP A 14 1.223 -12.937 94.982 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.102 -15.166 96.243 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.760 -14.711 94.594 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -0.950 -13.160 94.693 1.00 0.00 H new ATOM 225 N LEU A 15 2.124 -16.043 94.419 1.00 0.00 N ATOM 226 CA LEU A 15 2.843 -17.060 93.614 1.00 0.00 C ATOM 227 C LEU A 15 1.946 -18.258 93.282 1.00 0.00 C ATOM 228 O LEU A 15 2.068 -18.863 92.238 1.00 0.00 O ATOM 229 CB LEU A 15 4.067 -17.465 94.433 1.00 0.00 C ATOM 230 CG LEU A 15 4.994 -18.390 93.648 1.00 0.00 C ATOM 231 CD1 LEU A 15 4.417 -19.809 93.601 1.00 0.00 C ATOM 232 CD2 LEU A 15 5.194 -17.852 92.226 1.00 0.00 C ATOM 0 H LEU A 15 2.738 -15.409 94.930 1.00 0.00 H new ATOM 0 HA LEU A 15 3.144 -16.656 92.648 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.615 -16.572 94.734 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.744 -17.964 95.347 1.00 0.00 H new ATOM 0 HG LEU A 15 5.960 -18.425 94.151 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.089 -20.457 93.038 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.310 -20.192 94.616 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.441 -19.789 93.116 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.857 -18.519 91.675 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.231 -17.797 91.719 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.637 -16.857 92.272 1.00 0.00 H new ATOM 244 N ASP A 16 1.033 -18.583 94.138 1.00 0.00 N ATOM 245 CA ASP A 16 0.115 -19.720 93.876 1.00 0.00 C ATOM 246 C ASP A 16 -0.845 -19.430 92.696 1.00 0.00 C ATOM 247 O ASP A 16 -1.198 -20.318 91.942 1.00 0.00 O ATOM 248 CB ASP A 16 -0.703 -19.956 95.138 1.00 0.00 C ATOM 249 CG ASP A 16 0.216 -20.425 96.266 1.00 0.00 C ATOM 250 OD1 ASP A 16 1.422 -20.289 96.122 1.00 0.00 O ATOM 251 OD2 ASP A 16 -0.300 -20.911 97.258 1.00 0.00 O ATOM 0 H ASP A 16 0.878 -18.103 95.025 1.00 0.00 H new ATOM 0 HA ASP A 16 0.706 -20.596 93.609 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.213 -19.038 95.429 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.474 -20.703 94.949 1.00 0.00 H new ATOM 256 N GLU A 17 -1.299 -18.208 92.541 1.00 0.00 N ATOM 257 CA GLU A 17 -2.265 -17.910 91.420 1.00 0.00 C ATOM 258 C GLU A 17 -1.518 -17.734 90.082 1.00 0.00 C ATOM 259 O GLU A 17 -2.008 -18.112 89.034 1.00 0.00 O ATOM 260 CB GLU A 17 -3.073 -16.642 91.748 1.00 0.00 C ATOM 261 CG GLU A 17 -4.581 -16.932 91.633 1.00 0.00 C ATOM 262 CD GLU A 17 -5.377 -15.713 92.108 1.00 0.00 C ATOM 263 OE1 GLU A 17 -5.514 -14.780 91.334 1.00 0.00 O ATOM 264 OE2 GLU A 17 -5.835 -15.733 93.240 1.00 0.00 O ATOM 0 H GLU A 17 -1.051 -17.412 93.129 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.948 -18.754 91.319 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.836 -16.301 92.756 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.796 -15.838 91.066 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.839 -17.167 90.600 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.840 -17.804 92.233 1.00 0.00 H new ATOM 271 N VAL A 18 -0.335 -17.185 90.116 1.00 0.00 N ATOM 272 CA VAL A 18 0.457 -17.003 88.851 1.00 0.00 C ATOM 273 C VAL A 18 0.894 -18.386 88.375 1.00 0.00 C ATOM 274 O VAL A 18 0.916 -18.686 87.201 1.00 0.00 O ATOM 275 CB VAL A 18 1.720 -16.185 89.157 1.00 0.00 C ATOM 276 CG1 VAL A 18 1.751 -14.862 88.383 1.00 0.00 C ATOM 277 CG2 VAL A 18 1.760 -15.879 90.649 1.00 0.00 C ATOM 0 H VAL A 18 0.124 -16.852 90.964 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.144 -16.493 88.098 1.00 0.00 H new ATOM 0 HB VAL A 18 2.583 -16.776 88.851 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.662 -14.317 88.631 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.730 -15.066 87.312 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.883 -14.261 88.655 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.654 -15.298 90.877 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.875 -15.307 90.927 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.781 -16.812 91.211 1.00 0.00 H new ATOM 287 N LYS A 19 1.257 -19.215 89.305 1.00 0.00 N ATOM 288 CA LYS A 19 1.721 -20.584 88.966 1.00 0.00 C ATOM 289 C LYS A 19 0.629 -21.328 88.194 1.00 0.00 C ATOM 290 O LYS A 19 0.906 -22.173 87.368 1.00 0.00 O ATOM 291 CB LYS A 19 2.054 -21.311 90.273 1.00 0.00 C ATOM 292 CG LYS A 19 2.738 -22.648 89.982 1.00 0.00 C ATOM 293 CD LYS A 19 3.580 -23.068 91.196 1.00 0.00 C ATOM 294 CE LYS A 19 4.967 -22.418 91.128 1.00 0.00 C ATOM 295 NZ LYS A 19 5.918 -23.349 90.456 1.00 0.00 N ATOM 0 H LYS A 19 1.252 -19.000 90.302 1.00 0.00 H new ATOM 0 HA LYS A 19 2.608 -20.542 88.334 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.705 -20.689 90.887 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.142 -21.479 90.845 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.991 -23.411 89.763 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.372 -22.560 89.100 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.077 -22.773 92.117 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.680 -24.153 91.221 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.913 -21.477 90.580 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.320 -22.182 92.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.705 -23.566 91.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.424 -24.229 90.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.290 -22.903 89.593 1.00 0.00 H new ATOM 309 N ASP A 20 -0.608 -21.017 88.450 1.00 0.00 N ATOM 310 CA ASP A 20 -1.714 -21.702 87.725 1.00 0.00 C ATOM 311 C ASP A 20 -1.762 -21.232 86.265 1.00 0.00 C ATOM 312 O ASP A 20 -2.054 -21.997 85.362 1.00 0.00 O ATOM 313 CB ASP A 20 -3.047 -21.380 88.405 1.00 0.00 C ATOM 314 CG ASP A 20 -4.123 -22.341 87.898 1.00 0.00 C ATOM 315 OD1 ASP A 20 -4.108 -23.488 88.311 1.00 0.00 O ATOM 316 OD2 ASP A 20 -4.945 -21.913 87.103 1.00 0.00 O ATOM 0 H ASP A 20 -0.903 -20.317 89.131 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.538 -22.778 87.747 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.946 -21.468 89.487 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.336 -20.350 88.194 1.00 0.00 H new ATOM 321 N TYR A 21 -1.496 -19.974 86.025 1.00 0.00 N ATOM 322 CA TYR A 21 -1.551 -19.454 84.626 1.00 0.00 C ATOM 323 C TYR A 21 -0.556 -20.212 83.733 1.00 0.00 C ATOM 324 O TYR A 21 -0.921 -20.705 82.687 1.00 0.00 O ATOM 325 CB TYR A 21 -1.229 -17.953 84.621 1.00 0.00 C ATOM 326 CG TYR A 21 -2.514 -17.155 84.749 1.00 0.00 C ATOM 327 CD1 TYR A 21 -3.158 -17.062 85.990 1.00 0.00 C ATOM 328 CD2 TYR A 21 -3.057 -16.512 83.629 1.00 0.00 C ATOM 329 CE1 TYR A 21 -4.347 -16.331 86.108 1.00 0.00 C ATOM 330 CE2 TYR A 21 -4.246 -15.781 83.749 1.00 0.00 C ATOM 331 CZ TYR A 21 -4.889 -15.688 84.989 1.00 0.00 C ATOM 332 OH TYR A 21 -6.060 -14.966 85.108 1.00 0.00 O ATOM 0 H TYR A 21 -1.244 -19.286 86.735 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.555 -19.607 84.230 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.556 -17.713 85.444 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.713 -17.685 83.699 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.738 -17.554 86.855 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.559 -16.580 82.673 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.846 -16.263 87.063 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.667 -15.289 82.885 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.298 -14.583 84.238 1.00 0.00 H new ATOM 342 N VAL A 22 0.694 -20.314 84.118 1.00 0.00 N ATOM 343 CA VAL A 22 1.663 -21.051 83.248 1.00 0.00 C ATOM 344 C VAL A 22 1.281 -22.532 83.220 1.00 0.00 C ATOM 345 O VAL A 22 1.605 -23.246 82.291 1.00 0.00 O ATOM 346 CB VAL A 22 3.109 -20.863 83.744 1.00 0.00 C ATOM 347 CG1 VAL A 22 3.164 -19.736 84.774 1.00 0.00 C ATOM 348 CG2 VAL A 22 3.647 -22.148 84.388 1.00 0.00 C ATOM 0 H VAL A 22 1.079 -19.927 84.980 1.00 0.00 H new ATOM 0 HA VAL A 22 1.616 -20.647 82.237 1.00 0.00 H new ATOM 0 HB VAL A 22 3.727 -20.615 82.881 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.190 -19.609 85.120 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.818 -18.809 84.318 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.524 -19.985 85.620 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.669 -21.984 84.728 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.021 -22.419 85.238 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.633 -22.955 83.656 1.00 0.00 H new ATOM 358 N ALA A 23 0.572 -22.997 84.214 1.00 0.00 N ATOM 359 CA ALA A 23 0.161 -24.425 84.210 1.00 0.00 C ATOM 360 C ALA A 23 -0.527 -24.684 82.878 1.00 0.00 C ATOM 361 O ALA A 23 -0.607 -25.799 82.404 1.00 0.00 O ATOM 362 CB ALA A 23 -0.822 -24.681 85.356 1.00 0.00 C ATOM 0 H ALA A 23 0.264 -22.453 85.020 1.00 0.00 H new ATOM 0 HA ALA A 23 1.021 -25.081 84.341 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.122 -25.729 85.351 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.343 -24.445 86.306 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.702 -24.051 85.228 1.00 0.00 H new ATOM 368 N LYS A 24 -0.996 -23.634 82.261 1.00 0.00 N ATOM 369 CA LYS A 24 -1.654 -23.768 80.942 1.00 0.00 C ATOM 370 C LYS A 24 -0.620 -24.285 79.942 1.00 0.00 C ATOM 371 O LYS A 24 -0.515 -25.468 79.690 1.00 0.00 O ATOM 372 CB LYS A 24 -2.153 -22.391 80.487 1.00 0.00 C ATOM 373 CG LYS A 24 -3.377 -21.972 81.312 1.00 0.00 C ATOM 374 CD LYS A 24 -4.647 -22.548 80.679 1.00 0.00 C ATOM 375 CE LYS A 24 -5.731 -22.717 81.750 1.00 0.00 C ATOM 376 NZ LYS A 24 -7.025 -23.078 81.100 1.00 0.00 N ATOM 0 H LYS A 24 -0.948 -22.682 82.623 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.497 -24.457 81.005 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.359 -21.653 80.600 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.412 -22.421 79.429 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.276 -22.328 82.337 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.442 -20.885 81.357 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.003 -21.886 79.890 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.429 -23.510 80.215 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.439 -23.493 82.458 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.843 -21.793 82.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.759 -23.192 81.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.305 -22.323 80.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.914 -23.970 80.577 1.00 0.00 H new ATOM 390 N GLY A 25 0.153 -23.394 79.387 1.00 0.00 N ATOM 391 CA GLY A 25 1.202 -23.798 78.409 1.00 0.00 C ATOM 392 C GLY A 25 2.302 -22.733 78.374 1.00 0.00 C ATOM 393 O GLY A 25 2.443 -21.993 77.420 1.00 0.00 O ATOM 0 H GLY A 25 0.102 -22.392 79.571 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.624 -24.763 78.689 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.764 -23.917 77.418 1.00 0.00 H new ATOM 397 N GLU A 26 3.071 -22.655 79.424 1.00 0.00 N ATOM 398 CA GLU A 26 4.176 -21.649 79.515 1.00 0.00 C ATOM 399 C GLU A 26 3.780 -20.331 78.845 1.00 0.00 C ATOM 400 O GLU A 26 3.886 -20.168 77.643 1.00 0.00 O ATOM 401 CB GLU A 26 5.473 -22.192 78.895 1.00 0.00 C ATOM 402 CG GLU A 26 5.173 -23.017 77.643 1.00 0.00 C ATOM 403 CD GLU A 26 6.491 -23.512 77.038 1.00 0.00 C ATOM 404 OE1 GLU A 26 7.392 -22.702 76.887 1.00 0.00 O ATOM 405 OE2 GLU A 26 6.579 -24.691 76.742 1.00 0.00 O ATOM 0 H GLU A 26 2.981 -23.257 80.242 1.00 0.00 H new ATOM 0 HA GLU A 26 4.355 -21.456 80.573 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.134 -21.364 78.640 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.000 -22.808 79.624 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.534 -23.863 77.895 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.630 -22.413 76.916 1.00 0.00 H new ATOM 412 N ASP A 27 3.348 -19.382 79.630 1.00 0.00 N ATOM 413 CA ASP A 27 2.961 -18.048 79.086 1.00 0.00 C ATOM 414 C ASP A 27 3.672 -16.979 79.917 1.00 0.00 C ATOM 415 O ASP A 27 3.056 -16.091 80.470 1.00 0.00 O ATOM 416 CB ASP A 27 1.445 -17.865 79.200 1.00 0.00 C ATOM 417 CG ASP A 27 0.743 -18.739 78.160 1.00 0.00 C ATOM 418 OD1 ASP A 27 0.743 -18.361 76.999 1.00 0.00 O ATOM 419 OD2 ASP A 27 0.218 -19.772 78.541 1.00 0.00 O ATOM 0 H ASP A 27 3.245 -19.476 80.640 1.00 0.00 H new ATOM 0 HA ASP A 27 3.245 -17.967 78.037 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.110 -18.134 80.202 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.182 -16.818 79.047 1.00 0.00 H new ATOM 424 N VAL A 28 4.973 -17.077 80.030 1.00 0.00 N ATOM 425 CA VAL A 28 5.734 -16.089 80.847 1.00 0.00 C ATOM 426 C VAL A 28 6.429 -15.076 79.942 1.00 0.00 C ATOM 427 O VAL A 28 7.625 -14.870 80.010 1.00 0.00 O ATOM 428 CB VAL A 28 6.755 -16.836 81.710 1.00 0.00 C ATOM 429 CG1 VAL A 28 5.994 -17.841 82.574 1.00 0.00 C ATOM 430 CG2 VAL A 28 7.777 -17.581 80.834 1.00 0.00 C ATOM 0 H VAL A 28 5.540 -17.801 79.590 1.00 0.00 H new ATOM 0 HA VAL A 28 5.048 -15.543 81.495 1.00 0.00 H new ATOM 0 HB VAL A 28 7.300 -16.123 82.329 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.698 -18.389 83.201 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.282 -17.311 83.206 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.459 -18.541 81.932 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.491 -18.103 81.471 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.258 -18.303 80.203 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.308 -16.866 80.206 1.00 0.00 H new ATOM 440 N ASN A 29 5.669 -14.439 79.101 1.00 0.00 N ATOM 441 CA ASN A 29 6.227 -13.430 78.180 1.00 0.00 C ATOM 442 C ASN A 29 5.060 -12.771 77.453 1.00 0.00 C ATOM 443 O ASN A 29 5.131 -12.451 76.284 1.00 0.00 O ATOM 444 CB ASN A 29 7.148 -14.112 77.176 1.00 0.00 C ATOM 445 CG ASN A 29 6.490 -15.394 76.670 1.00 0.00 C ATOM 446 OD1 ASN A 29 6.610 -16.492 77.364 1.00 0.00 O flip ATOM 447 ND2 ASN A 29 5.859 -15.397 75.632 1.00 0.00 N flip ATOM 0 H ASN A 29 4.663 -14.582 79.016 1.00 0.00 H new ATOM 0 HA ASN A 29 6.803 -12.683 78.727 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.353 -13.442 76.341 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.106 -14.342 77.643 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.765 -14.538 75.090 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.423 -16.258 75.303 1.00 0.00 H new ATOM 454 N ARG A 30 3.975 -12.576 78.156 1.00 0.00 N ATOM 455 CA ARG A 30 2.774 -11.944 77.556 1.00 0.00 C ATOM 456 C ARG A 30 2.635 -10.535 78.119 1.00 0.00 C ATOM 457 O ARG A 30 3.031 -10.260 79.234 1.00 0.00 O ATOM 458 CB ARG A 30 1.535 -12.763 77.929 1.00 0.00 C ATOM 459 CG ARG A 30 1.735 -13.366 79.320 1.00 0.00 C ATOM 460 CD ARG A 30 0.385 -13.778 79.914 1.00 0.00 C ATOM 461 NE ARG A 30 -0.374 -14.592 78.924 1.00 0.00 N ATOM 462 CZ ARG A 30 -1.394 -15.306 79.316 1.00 0.00 C ATOM 463 NH1 ARG A 30 -1.734 -15.317 80.576 1.00 0.00 N ATOM 464 NH2 ARG A 30 -2.070 -16.010 78.450 1.00 0.00 N ATOM 0 H ARG A 30 3.874 -12.834 79.138 1.00 0.00 H new ATOM 0 HA ARG A 30 2.871 -11.906 76.471 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.648 -12.130 77.918 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.372 -13.553 77.196 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.393 -14.232 79.258 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.222 -12.641 79.972 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.539 -14.351 80.828 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.189 -12.892 80.186 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.097 -14.591 77.942 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.203 -14.768 81.252 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.531 -15.874 80.884 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.801 -16.003 77.466 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.867 -16.568 78.757 1.00 0.00 H new ATOM 478 N THR A 31 2.068 -9.645 77.370 1.00 0.00 N ATOM 479 CA THR A 31 1.900 -8.264 77.888 1.00 0.00 C ATOM 480 C THR A 31 1.056 -8.323 79.158 1.00 0.00 C ATOM 481 O THR A 31 0.053 -9.008 79.218 1.00 0.00 O ATOM 482 CB THR A 31 1.221 -7.376 76.850 1.00 0.00 C ATOM 483 OG1 THR A 31 1.799 -7.613 75.572 1.00 0.00 O ATOM 484 CG2 THR A 31 1.425 -5.914 77.244 1.00 0.00 C ATOM 0 H THR A 31 1.714 -9.808 76.427 1.00 0.00 H new ATOM 0 HA THR A 31 2.879 -7.836 78.106 1.00 0.00 H new ATOM 0 HB THR A 31 0.155 -7.601 76.807 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.362 -7.044 74.905 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.944 -5.269 76.509 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.985 -5.737 78.226 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.492 -5.692 77.279 1.00 0.00 H new ATOM 492 N LEU A 32 1.464 -7.636 80.181 1.00 0.00 N ATOM 493 CA LEU A 32 0.706 -7.676 81.459 1.00 0.00 C ATOM 494 C LEU A 32 -0.571 -6.815 81.364 1.00 0.00 C ATOM 495 O LEU A 32 -1.618 -7.301 80.987 1.00 0.00 O ATOM 496 CB LEU A 32 1.626 -7.194 82.591 1.00 0.00 C ATOM 497 CG LEU A 32 1.416 -8.057 83.842 1.00 0.00 C ATOM 498 CD1 LEU A 32 2.416 -7.654 84.931 1.00 0.00 C ATOM 499 CD2 LEU A 32 -0.007 -7.853 84.359 1.00 0.00 C ATOM 0 H LEU A 32 2.295 -7.044 80.189 1.00 0.00 H new ATOM 0 HA LEU A 32 0.387 -8.697 81.669 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.667 -7.248 82.272 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.417 -6.149 82.821 1.00 0.00 H new ATOM 0 HG LEU A 32 1.571 -9.105 83.587 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.260 -8.272 85.815 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.432 -7.798 84.563 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.269 -6.606 85.190 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.162 -8.464 85.248 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.156 -6.803 84.610 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.720 -8.147 83.588 1.00 0.00 H new ATOM 511 N GLU A 33 -0.512 -5.556 81.720 1.00 0.00 N ATOM 512 CA GLU A 33 -1.745 -4.708 81.663 1.00 0.00 C ATOM 513 C GLU A 33 -2.000 -4.191 80.240 1.00 0.00 C ATOM 514 O GLU A 33 -3.104 -4.270 79.738 1.00 0.00 O ATOM 515 CB GLU A 33 -1.602 -3.527 82.628 1.00 0.00 C ATOM 516 CG GLU A 33 -0.462 -2.614 82.173 1.00 0.00 C ATOM 517 CD GLU A 33 -0.085 -1.667 83.315 1.00 0.00 C ATOM 518 OE1 GLU A 33 -0.808 -0.708 83.527 1.00 0.00 O ATOM 519 OE2 GLU A 33 0.920 -1.918 83.960 1.00 0.00 O ATOM 0 H GLU A 33 0.329 -5.080 82.046 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.596 -5.322 81.957 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.535 -2.965 82.668 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.406 -3.892 83.636 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.402 -3.211 81.880 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.767 -2.042 81.297 1.00 0.00 H new ATOM 526 N GLY A 34 -1.008 -3.650 79.583 1.00 0.00 N ATOM 527 CA GLY A 34 -1.243 -3.130 78.201 1.00 0.00 C ATOM 528 C GLY A 34 0.078 -3.018 77.441 1.00 0.00 C ATOM 529 O GLY A 34 0.106 -2.970 76.227 1.00 0.00 O ATOM 0 H GLY A 34 -0.057 -3.546 79.936 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.922 -3.794 77.666 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.725 -2.154 78.250 1.00 0.00 H new ATOM 533 N GLY A 35 1.171 -2.972 78.143 1.00 0.00 N ATOM 534 CA GLY A 35 2.492 -2.860 77.464 1.00 0.00 C ATOM 535 C GLY A 35 3.597 -3.223 78.456 1.00 0.00 C ATOM 536 O GLY A 35 4.707 -2.734 78.372 1.00 0.00 O ATOM 0 H GLY A 35 1.209 -3.007 79.162 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.529 -3.525 76.601 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.639 -1.846 77.092 1.00 0.00 H new ATOM 540 N ARG A 36 3.293 -4.066 79.409 1.00 0.00 N ATOM 541 CA ARG A 36 4.314 -4.453 80.430 1.00 0.00 C ATOM 542 C ARG A 36 4.496 -5.985 80.459 1.00 0.00 C ATOM 543 O ARG A 36 3.662 -6.727 79.985 1.00 0.00 O ATOM 544 CB ARG A 36 3.843 -3.969 81.809 1.00 0.00 C ATOM 545 CG ARG A 36 3.245 -2.553 81.698 1.00 0.00 C ATOM 546 CD ARG A 36 4.324 -1.556 81.265 1.00 0.00 C ATOM 547 NE ARG A 36 4.199 -0.295 82.069 1.00 0.00 N ATOM 548 CZ ARG A 36 3.039 0.287 82.236 1.00 0.00 C ATOM 549 NH1 ARG A 36 1.988 -0.137 81.587 1.00 0.00 N ATOM 550 NH2 ARG A 36 2.939 1.323 83.025 1.00 0.00 N ATOM 0 H ARG A 36 2.379 -4.504 79.525 1.00 0.00 H new ATOM 0 HA ARG A 36 5.269 -3.994 80.174 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.098 -4.656 82.209 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.680 -3.965 82.507 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.427 -2.551 80.977 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.825 -2.251 82.657 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.313 -1.992 81.406 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.222 -1.333 80.203 1.00 0.00 H new ATOM 0 HE ARG A 36 5.032 0.115 82.492 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.069 -0.926 80.946 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.087 0.321 81.721 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.764 1.677 83.509 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.036 1.778 83.157 1.00 0.00 H new ATOM 564 N LYS A 37 5.587 -6.454 81.027 1.00 0.00 N ATOM 565 CA LYS A 37 5.848 -7.932 81.114 1.00 0.00 C ATOM 566 C LYS A 37 5.588 -8.385 82.571 1.00 0.00 C ATOM 567 O LYS A 37 5.437 -7.546 83.434 1.00 0.00 O ATOM 568 CB LYS A 37 7.309 -8.207 80.703 1.00 0.00 C ATOM 569 CG LYS A 37 8.182 -6.974 80.983 1.00 0.00 C ATOM 570 CD LYS A 37 8.174 -6.687 82.486 1.00 0.00 C ATOM 571 CE LYS A 37 9.214 -5.617 82.829 1.00 0.00 C ATOM 572 NZ LYS A 37 8.613 -4.266 82.646 1.00 0.00 N ATOM 0 H LYS A 37 6.315 -5.870 81.438 1.00 0.00 H new ATOM 0 HA LYS A 37 5.191 -8.488 80.445 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.693 -9.066 81.253 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.355 -8.461 79.644 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.201 -7.149 80.639 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.803 -6.112 80.433 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.183 -6.353 82.794 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.388 -7.602 83.039 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.553 -5.740 83.858 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.090 -5.727 82.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.253 -3.545 83.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.466 -4.086 81.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.700 -4.222 83.141 1.00 0.00 H new ATOM 586 N PRO A 38 5.500 -9.682 82.824 1.00 0.00 N ATOM 587 CA PRO A 38 5.214 -10.181 84.196 1.00 0.00 C ATOM 588 C PRO A 38 6.471 -10.241 85.110 1.00 0.00 C ATOM 589 O PRO A 38 6.535 -11.056 86.009 1.00 0.00 O ATOM 590 CB PRO A 38 4.696 -11.612 83.952 1.00 0.00 C ATOM 591 CG PRO A 38 5.138 -12.027 82.523 1.00 0.00 C ATOM 592 CD PRO A 38 5.624 -10.750 81.801 1.00 0.00 C ATOM 0 HA PRO A 38 4.518 -9.520 84.712 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.102 -12.299 84.694 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.610 -11.648 84.044 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.935 -12.769 82.568 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.309 -12.482 81.982 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.653 -10.854 81.457 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.015 -10.533 80.923 1.00 0.00 H new ATOM 600 N LEU A 39 7.460 -9.398 84.911 1.00 0.00 N ATOM 601 CA LEU A 39 8.688 -9.449 85.802 1.00 0.00 C ATOM 602 C LEU A 39 8.819 -8.155 86.626 1.00 0.00 C ATOM 603 O LEU A 39 9.521 -8.113 87.617 1.00 0.00 O ATOM 604 CB LEU A 39 9.935 -9.597 84.917 1.00 0.00 C ATOM 605 CG LEU A 39 11.212 -9.999 85.704 1.00 0.00 C ATOM 606 CD1 LEU A 39 10.915 -10.838 86.958 1.00 0.00 C ATOM 607 CD2 LEU A 39 12.100 -10.827 84.774 1.00 0.00 C ATOM 0 H LEU A 39 7.480 -8.683 84.183 1.00 0.00 H new ATOM 0 HA LEU A 39 8.593 -10.294 86.484 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.739 -10.347 84.151 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.118 -8.654 84.401 1.00 0.00 H new ATOM 0 HG LEU A 39 11.695 -9.080 86.036 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.850 -11.085 87.461 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.279 -10.268 87.635 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.405 -11.757 86.669 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.006 -11.123 85.304 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.560 -11.718 84.453 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.368 -10.231 83.901 1.00 0.00 H new ATOM 619 N HIS A 40 8.176 -7.094 86.217 1.00 0.00 N ATOM 620 CA HIS A 40 8.305 -5.805 86.970 1.00 0.00 C ATOM 621 C HIS A 40 7.618 -5.916 88.330 1.00 0.00 C ATOM 622 O HIS A 40 8.197 -5.612 89.354 1.00 0.00 O ATOM 623 CB HIS A 40 7.633 -4.688 86.166 1.00 0.00 C ATOM 624 CG HIS A 40 7.615 -3.415 86.972 1.00 0.00 C ATOM 625 ND1 HIS A 40 8.578 -3.130 87.929 1.00 0.00 N ATOM 626 CD2 HIS A 40 6.760 -2.341 86.968 1.00 0.00 C ATOM 627 CE1 HIS A 40 8.280 -1.927 88.456 1.00 0.00 C ATOM 628 NE2 HIS A 40 7.181 -1.404 87.907 1.00 0.00 N ATOM 0 H HIS A 40 7.569 -7.060 85.398 1.00 0.00 H new ATOM 0 HA HIS A 40 9.362 -5.584 87.119 1.00 0.00 H new ATOM 0 HB2 HIS A 40 8.169 -4.529 85.230 1.00 0.00 H new ATOM 0 HB3 HIS A 40 6.615 -4.978 85.905 1.00 0.00 H new ATOM 0 HD2 HIS A 40 5.893 -2.239 86.333 1.00 0.00 H new ATOM 0 HE1 HIS A 40 8.860 -1.444 89.229 1.00 0.00 H new ATOM 0 HE2 HIS A 40 6.744 -0.509 88.128 1.00 0.00 H new ATOM 636 N TYR A 41 6.391 -6.343 88.352 1.00 0.00 N ATOM 637 CA TYR A 41 5.668 -6.465 89.646 1.00 0.00 C ATOM 638 C TYR A 41 6.288 -7.591 90.458 1.00 0.00 C ATOM 639 O TYR A 41 6.431 -7.496 91.661 1.00 0.00 O ATOM 640 CB TYR A 41 4.202 -6.750 89.360 1.00 0.00 C ATOM 641 CG TYR A 41 3.737 -5.749 88.338 1.00 0.00 C ATOM 642 CD1 TYR A 41 4.059 -5.932 86.989 1.00 0.00 C ATOM 643 CD2 TYR A 41 3.021 -4.620 88.741 1.00 0.00 C ATOM 644 CE1 TYR A 41 3.658 -4.988 86.040 1.00 0.00 C ATOM 645 CE2 TYR A 41 2.612 -3.679 87.791 1.00 0.00 C ATOM 646 CZ TYR A 41 2.935 -3.860 86.440 1.00 0.00 C ATOM 647 OH TYR A 41 2.538 -2.931 85.504 1.00 0.00 O ATOM 0 H TYR A 41 5.854 -6.614 87.528 1.00 0.00 H new ATOM 0 HA TYR A 41 5.745 -5.541 90.219 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.075 -7.766 88.987 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.611 -6.669 90.272 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.618 -6.803 86.681 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.784 -4.474 89.784 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.906 -5.130 84.998 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.047 -2.812 88.099 1.00 0.00 H new ATOM 0 HH TYR A 41 1.593 -3.069 85.286 1.00 0.00 H new ATOM 657 N ALA A 42 6.700 -8.641 89.816 1.00 0.00 N ATOM 658 CA ALA A 42 7.351 -9.727 90.574 1.00 0.00 C ATOM 659 C ALA A 42 8.654 -9.141 91.099 1.00 0.00 C ATOM 660 O ALA A 42 8.873 -9.032 92.285 1.00 0.00 O ATOM 661 CB ALA A 42 7.627 -10.915 89.644 1.00 0.00 C ATOM 0 H ALA A 42 6.614 -8.791 88.811 1.00 0.00 H new ATOM 0 HA ALA A 42 6.726 -10.091 91.389 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.108 -11.714 90.208 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.687 -11.278 89.229 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.283 -10.598 88.833 1.00 0.00 H new ATOM 667 N ALA A 43 9.500 -8.712 90.216 1.00 0.00 N ATOM 668 CA ALA A 43 10.775 -8.084 90.645 1.00 0.00 C ATOM 669 C ALA A 43 10.473 -6.973 91.664 1.00 0.00 C ATOM 670 O ALA A 43 10.875 -7.036 92.810 1.00 0.00 O ATOM 671 CB ALA A 43 11.429 -7.451 89.415 1.00 0.00 C ATOM 0 H ALA A 43 9.364 -8.769 89.207 1.00 0.00 H new ATOM 0 HA ALA A 43 11.431 -8.829 91.094 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.369 -6.982 89.704 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.622 -8.221 88.669 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.762 -6.698 88.995 1.00 0.00 H new ATOM 677 N ASP A 44 9.784 -5.949 91.235 1.00 0.00 N ATOM 678 CA ASP A 44 9.461 -4.794 92.131 1.00 0.00 C ATOM 679 C ASP A 44 8.662 -5.217 93.373 1.00 0.00 C ATOM 680 O ASP A 44 8.688 -4.543 94.383 1.00 0.00 O ATOM 681 CB ASP A 44 8.643 -3.768 91.347 1.00 0.00 C ATOM 682 CG ASP A 44 8.467 -2.502 92.188 1.00 0.00 C ATOM 683 OD1 ASP A 44 7.924 -2.607 93.275 1.00 0.00 O ATOM 684 OD2 ASP A 44 8.877 -1.449 91.729 1.00 0.00 O ATOM 0 H ASP A 44 9.424 -5.861 90.285 1.00 0.00 H new ATOM 0 HA ASP A 44 10.406 -4.371 92.472 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.145 -3.527 90.410 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.669 -4.184 91.090 1.00 0.00 H new ATOM 689 N CYS A 45 7.933 -6.296 93.317 1.00 0.00 N ATOM 690 CA CYS A 45 7.133 -6.694 94.515 1.00 0.00 C ATOM 691 C CYS A 45 6.674 -8.147 94.362 1.00 0.00 C ATOM 692 O CYS A 45 5.493 -8.445 94.330 1.00 0.00 O ATOM 693 CB CYS A 45 5.914 -5.764 94.640 1.00 0.00 C ATOM 694 SG CYS A 45 5.776 -4.721 93.162 1.00 0.00 S ATOM 0 H CYS A 45 7.854 -6.913 92.509 1.00 0.00 H new ATOM 0 HA CYS A 45 7.743 -6.609 95.414 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.007 -6.355 94.764 1.00 0.00 H new ATOM 0 HB3 CYS A 45 6.012 -5.140 95.528 1.00 0.00 H new ATOM 0 HG CYS A 45 6.578 -3.704 93.272 1.00 0.00 H new ATOM 700 N GLY A 46 7.609 -9.051 94.260 1.00 0.00 N ATOM 701 CA GLY A 46 7.258 -10.497 94.098 1.00 0.00 C ATOM 702 C GLY A 46 7.703 -11.293 95.326 1.00 0.00 C ATOM 703 O GLY A 46 7.951 -12.482 95.244 1.00 0.00 O ATOM 0 H GLY A 46 8.609 -8.852 94.282 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.182 -10.603 93.958 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.737 -10.896 93.204 1.00 0.00 H new ATOM 707 N GLN A 47 7.850 -10.661 96.459 1.00 0.00 N ATOM 708 CA GLN A 47 8.331 -11.413 97.651 1.00 0.00 C ATOM 709 C GLN A 47 9.628 -12.113 97.234 1.00 0.00 C ATOM 710 O GLN A 47 10.135 -12.995 97.898 1.00 0.00 O ATOM 711 CB GLN A 47 7.272 -12.425 98.101 1.00 0.00 C ATOM 712 CG GLN A 47 6.223 -11.724 98.976 1.00 0.00 C ATOM 713 CD GLN A 47 5.826 -10.377 98.363 1.00 0.00 C ATOM 714 OE1 GLN A 47 4.743 -10.297 97.640 1.00 0.00 O flip ATOM 715 NE2 GLN A 47 6.508 -9.389 98.548 1.00 0.00 N flip ATOM 0 H GLN A 47 7.661 -9.670 96.609 1.00 0.00 H new ATOM 0 HA GLN A 47 8.512 -10.749 98.496 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.792 -12.874 97.232 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.743 -13.234 98.659 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.342 -12.358 99.076 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.621 -11.571 99.979 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.355 -9.452 99.113 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.234 -8.496 98.138 1.00 0.00 H new ATOM 724 N LEU A 48 10.154 -11.664 96.121 1.00 0.00 N ATOM 725 CA LEU A 48 11.434 -12.185 95.559 1.00 0.00 C ATOM 726 C LEU A 48 11.348 -13.689 95.240 1.00 0.00 C ATOM 727 O LEU A 48 12.320 -14.321 94.866 1.00 0.00 O ATOM 728 CB LEU A 48 12.555 -11.894 96.551 1.00 0.00 C ATOM 729 CG LEU A 48 12.994 -10.402 96.500 1.00 0.00 C ATOM 730 CD1 LEU A 48 12.124 -9.533 95.568 1.00 0.00 C ATOM 731 CD2 LEU A 48 12.935 -9.799 97.909 1.00 0.00 C ATOM 0 H LEU A 48 9.728 -10.927 95.559 1.00 0.00 H new ATOM 0 HA LEU A 48 11.640 -11.682 94.614 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.222 -12.141 97.559 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.410 -12.533 96.332 1.00 0.00 H new ATOM 0 HG LEU A 48 14.009 -10.399 96.101 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.489 -8.506 95.583 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.178 -9.923 94.551 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.089 -9.556 95.910 1.00 0.00 H new ATOM 0 HD21 LEU A 48 13.243 -8.754 97.871 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.916 -9.863 98.290 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.604 -10.351 98.569 1.00 0.00 H new ATOM 743 N GLU A 49 10.189 -14.252 95.347 1.00 0.00 N ATOM 744 CA GLU A 49 10.003 -15.693 95.007 1.00 0.00 C ATOM 745 C GLU A 49 9.352 -15.767 93.628 1.00 0.00 C ATOM 746 O GLU A 49 9.641 -16.629 92.818 1.00 0.00 O ATOM 747 CB GLU A 49 9.088 -16.364 96.034 1.00 0.00 C ATOM 748 CG GLU A 49 8.009 -15.371 96.462 1.00 0.00 C ATOM 749 CD GLU A 49 7.005 -16.067 97.379 1.00 0.00 C ATOM 750 OE1 GLU A 49 7.369 -16.368 98.503 1.00 0.00 O ATOM 751 OE2 GLU A 49 5.888 -16.288 96.941 1.00 0.00 O ATOM 0 H GLU A 49 9.344 -13.774 95.660 1.00 0.00 H new ATOM 0 HA GLU A 49 10.965 -16.205 95.012 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.630 -17.255 95.605 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.667 -16.688 96.899 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.463 -14.526 96.979 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.500 -14.972 95.585 1.00 0.00 H new ATOM 758 N ILE A 50 8.446 -14.865 93.377 1.00 0.00 N ATOM 759 CA ILE A 50 7.726 -14.852 92.079 1.00 0.00 C ATOM 760 C ILE A 50 8.690 -14.588 90.917 1.00 0.00 C ATOM 761 O ILE A 50 8.603 -15.220 89.890 1.00 0.00 O ATOM 762 CB ILE A 50 6.641 -13.766 92.111 1.00 0.00 C ATOM 763 CG1 ILE A 50 5.753 -13.966 93.369 1.00 0.00 C ATOM 764 CG2 ILE A 50 5.831 -13.831 90.811 1.00 0.00 C ATOM 765 CD1 ILE A 50 4.247 -13.939 93.050 1.00 0.00 C ATOM 0 H ILE A 50 8.172 -14.128 94.026 1.00 0.00 H new ATOM 0 HA ILE A 50 7.269 -15.829 91.925 1.00 0.00 H new ATOM 0 HB ILE A 50 7.086 -12.773 92.177 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.003 -14.918 93.836 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.979 -13.185 94.095 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.058 -13.063 90.825 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.493 -13.664 89.961 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.366 -14.813 90.721 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.678 -14.084 93.968 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.986 -12.977 92.609 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.010 -14.737 92.346 1.00 0.00 H new ATOM 777 N LEU A 51 9.594 -13.660 91.040 1.00 0.00 N ATOM 778 CA LEU A 51 10.497 -13.405 89.885 1.00 0.00 C ATOM 779 C LEU A 51 11.181 -14.716 89.468 1.00 0.00 C ATOM 780 O LEU A 51 11.105 -15.118 88.330 1.00 0.00 O ATOM 781 CB LEU A 51 11.556 -12.304 90.154 1.00 0.00 C ATOM 782 CG LEU A 51 11.768 -11.973 91.642 1.00 0.00 C ATOM 783 CD1 LEU A 51 10.474 -11.479 92.298 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.322 -13.202 92.366 1.00 0.00 C ATOM 0 H LEU A 51 9.746 -13.081 91.866 1.00 0.00 H new ATOM 0 HA LEU A 51 9.874 -13.028 89.074 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.507 -12.620 89.726 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.258 -11.395 89.631 1.00 0.00 H new ATOM 0 HG LEU A 51 12.491 -11.161 91.719 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.661 -11.255 93.348 1.00 0.00 H new ATOM 0 HD12 LEU A 51 10.130 -10.578 91.790 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.710 -12.252 92.223 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.472 -12.967 93.420 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.615 -14.027 92.275 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.274 -13.489 91.919 1.00 0.00 H new ATOM 796 N GLU A 52 11.846 -15.390 90.365 1.00 0.00 N ATOM 797 CA GLU A 52 12.521 -16.666 89.980 1.00 0.00 C ATOM 798 C GLU A 52 11.542 -17.605 89.261 1.00 0.00 C ATOM 799 O GLU A 52 11.935 -18.412 88.444 1.00 0.00 O ATOM 800 CB GLU A 52 13.029 -17.381 91.236 1.00 0.00 C ATOM 801 CG GLU A 52 14.188 -16.600 91.859 1.00 0.00 C ATOM 802 CD GLU A 52 14.969 -17.518 92.804 1.00 0.00 C ATOM 803 OE1 GLU A 52 14.590 -17.605 93.961 1.00 0.00 O ATOM 804 OE2 GLU A 52 15.929 -18.121 92.354 1.00 0.00 O ATOM 0 H GLU A 52 11.952 -15.117 91.342 1.00 0.00 H new ATOM 0 HA GLU A 52 13.349 -16.421 89.315 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.219 -17.481 91.958 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.356 -18.389 90.982 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.846 -16.219 91.078 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.808 -15.736 92.405 1.00 0.00 H new ATOM 811 N PHE A 53 10.282 -17.543 89.591 1.00 0.00 N ATOM 812 CA PHE A 53 9.296 -18.472 88.964 1.00 0.00 C ATOM 813 C PHE A 53 9.131 -18.228 87.456 1.00 0.00 C ATOM 814 O PHE A 53 9.718 -18.908 86.643 1.00 0.00 O ATOM 815 CB PHE A 53 7.941 -18.313 89.652 1.00 0.00 C ATOM 816 CG PHE A 53 6.900 -19.098 88.890 1.00 0.00 C ATOM 817 CD1 PHE A 53 7.030 -20.485 88.754 1.00 0.00 C ATOM 818 CD2 PHE A 53 5.805 -18.438 88.321 1.00 0.00 C ATOM 819 CE1 PHE A 53 6.074 -21.211 88.037 1.00 0.00 C ATOM 820 CE2 PHE A 53 4.848 -19.165 87.604 1.00 0.00 C ATOM 821 CZ PHE A 53 4.978 -20.551 87.469 1.00 0.00 C ATOM 0 H PHE A 53 9.890 -16.889 90.269 1.00 0.00 H new ATOM 0 HA PHE A 53 9.678 -19.485 89.091 1.00 0.00 H new ATOM 0 HB2 PHE A 53 7.999 -18.667 90.681 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.662 -17.260 89.692 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.869 -20.995 89.203 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.699 -17.369 88.435 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.181 -22.279 87.922 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.008 -18.655 87.155 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.232 -21.113 86.926 1.00 0.00 H new ATOM 831 N LEU A 54 8.284 -17.308 87.082 1.00 0.00 N ATOM 832 CA LEU A 54 8.024 -17.068 85.631 1.00 0.00 C ATOM 833 C LEU A 54 9.322 -16.804 84.866 1.00 0.00 C ATOM 834 O LEU A 54 9.334 -16.727 83.651 1.00 0.00 O ATOM 835 CB LEU A 54 7.017 -15.913 85.484 1.00 0.00 C ATOM 836 CG LEU A 54 7.636 -14.531 85.782 1.00 0.00 C ATOM 837 CD1 LEU A 54 8.483 -14.596 87.046 1.00 0.00 C ATOM 838 CD2 LEU A 54 8.495 -14.034 84.609 1.00 0.00 C ATOM 0 H LEU A 54 7.759 -16.710 87.720 1.00 0.00 H new ATOM 0 HA LEU A 54 7.590 -17.965 85.189 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.616 -15.914 84.470 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.178 -16.082 86.159 1.00 0.00 H new ATOM 0 HG LEU A 54 6.817 -13.826 85.927 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.914 -13.615 87.246 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.858 -14.896 87.887 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.283 -15.324 86.911 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.915 -13.058 84.853 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.304 -14.741 84.425 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.877 -13.949 83.715 1.00 0.00 H new ATOM 850 N LEU A 55 10.419 -16.692 85.560 1.00 0.00 N ATOM 851 CA LEU A 55 11.723 -16.459 84.881 1.00 0.00 C ATOM 852 C LEU A 55 12.392 -17.813 84.622 1.00 0.00 C ATOM 853 O LEU A 55 12.913 -18.064 83.554 1.00 0.00 O ATOM 854 CB LEU A 55 12.597 -15.598 85.798 1.00 0.00 C ATOM 855 CG LEU A 55 13.698 -14.885 85.006 1.00 0.00 C ATOM 856 CD1 LEU A 55 14.504 -13.998 85.965 1.00 0.00 C ATOM 857 CD2 LEU A 55 14.626 -15.916 84.357 1.00 0.00 C ATOM 0 H LEU A 55 10.468 -16.752 86.577 1.00 0.00 H new ATOM 0 HA LEU A 55 11.582 -15.946 83.930 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.977 -14.861 86.308 1.00 0.00 H new ATOM 0 HB3 LEU A 55 13.047 -16.224 86.568 1.00 0.00 H new ATOM 0 HG LEU A 55 13.248 -14.274 84.223 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.291 -13.485 85.412 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.843 -13.262 86.422 1.00 0.00 H new ATOM 0 HD13 LEU A 55 14.951 -14.616 86.743 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.406 -15.401 83.796 1.00 0.00 H new ATOM 0 HD22 LEU A 55 15.083 -16.533 85.131 1.00 0.00 H new ATOM 0 HD23 LEU A 55 14.051 -16.549 83.681 1.00 0.00 H new ATOM 869 N LEU A 56 12.373 -18.697 85.587 1.00 0.00 N ATOM 870 CA LEU A 56 13.003 -20.029 85.366 1.00 0.00 C ATOM 871 C LEU A 56 12.277 -20.721 84.219 1.00 0.00 C ATOM 872 O LEU A 56 12.851 -21.490 83.475 1.00 0.00 O ATOM 873 CB LEU A 56 12.975 -20.883 86.651 1.00 0.00 C ATOM 874 CG LEU A 56 11.609 -21.565 86.854 1.00 0.00 C ATOM 875 CD1 LEU A 56 11.612 -22.963 86.222 1.00 0.00 C ATOM 876 CD2 LEU A 56 11.334 -21.709 88.359 1.00 0.00 C ATOM 0 H LEU A 56 11.954 -18.555 86.506 1.00 0.00 H new ATOM 0 HA LEU A 56 14.053 -19.899 85.105 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.756 -21.641 86.601 1.00 0.00 H new ATOM 0 HB3 LEU A 56 13.198 -20.252 87.512 1.00 0.00 H new ATOM 0 HG LEU A 56 10.839 -20.955 86.381 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.640 -23.433 86.373 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.812 -22.879 85.154 1.00 0.00 H new ATOM 0 HD13 LEU A 56 12.386 -23.572 86.689 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.368 -22.191 88.508 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.116 -22.315 88.815 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.322 -20.723 88.823 1.00 0.00 H new ATOM 888 N LYS A 57 11.027 -20.414 84.038 1.00 0.00 N ATOM 889 CA LYS A 57 10.276 -21.007 82.902 1.00 0.00 C ATOM 890 C LYS A 57 10.827 -20.331 81.645 1.00 0.00 C ATOM 891 O LYS A 57 11.957 -20.564 81.262 1.00 0.00 O ATOM 892 CB LYS A 57 8.776 -20.717 83.091 1.00 0.00 C ATOM 893 CG LYS A 57 7.925 -21.621 82.185 1.00 0.00 C ATOM 894 CD LYS A 57 6.609 -21.986 82.898 1.00 0.00 C ATOM 895 CE LYS A 57 6.883 -22.915 84.090 1.00 0.00 C ATOM 896 NZ LYS A 57 6.933 -22.117 85.350 1.00 0.00 N ATOM 0 H LYS A 57 10.492 -19.777 84.628 1.00 0.00 H new ATOM 0 HA LYS A 57 10.390 -22.089 82.833 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.499 -20.876 84.133 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.572 -19.671 82.863 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.711 -21.111 81.246 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.478 -22.527 81.937 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.112 -21.079 83.243 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.932 -22.474 82.197 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.103 -23.673 84.159 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.826 -23.441 83.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.904 -22.117 85.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.638 -21.139 85.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.292 -22.537 86.053 1.00 0.00 H new ATOM 910 N GLY A 58 10.094 -19.448 81.034 1.00 0.00 N ATOM 911 CA GLY A 58 10.663 -18.731 79.862 1.00 0.00 C ATOM 912 C GLY A 58 11.774 -17.833 80.408 1.00 0.00 C ATOM 913 O GLY A 58 12.677 -18.301 81.072 1.00 0.00 O ATOM 0 H GLY A 58 9.140 -19.193 81.289 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.057 -19.435 79.129 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.898 -18.141 79.358 1.00 0.00 H new ATOM 917 N ALA A 59 11.713 -16.547 80.192 1.00 0.00 N ATOM 918 CA ALA A 59 12.776 -15.678 80.772 1.00 0.00 C ATOM 919 C ALA A 59 12.650 -14.237 80.284 1.00 0.00 C ATOM 920 O ALA A 59 13.321 -13.816 79.364 1.00 0.00 O ATOM 921 CB ALA A 59 14.155 -16.243 80.425 1.00 0.00 C ATOM 0 H ALA A 59 10.991 -16.069 79.652 1.00 0.00 H new ATOM 0 HA ALA A 59 12.654 -15.668 81.855 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.928 -15.604 80.852 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.250 -17.249 80.834 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.271 -16.279 79.342 1.00 0.00 H new ATOM 927 N ASP A 60 11.818 -13.470 80.937 1.00 0.00 N ATOM 928 CA ASP A 60 11.662 -12.041 80.578 1.00 0.00 C ATOM 929 C ASP A 60 12.863 -11.287 81.156 1.00 0.00 C ATOM 930 O ASP A 60 12.976 -10.083 81.054 1.00 0.00 O ATOM 931 CB ASP A 60 10.363 -11.513 81.188 1.00 0.00 C ATOM 932 CG ASP A 60 10.045 -10.142 80.596 1.00 0.00 C ATOM 933 OD1 ASP A 60 9.476 -10.103 79.518 1.00 0.00 O ATOM 934 OD2 ASP A 60 10.376 -9.155 81.231 1.00 0.00 O ATOM 0 H ASP A 60 11.235 -13.782 81.713 1.00 0.00 H new ATOM 0 HA ASP A 60 11.619 -11.906 79.497 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.546 -12.206 80.987 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.460 -11.440 82.271 1.00 0.00 H new ATOM 939 N ILE A 61 13.751 -12.021 81.777 1.00 0.00 N ATOM 940 CA ILE A 61 14.969 -11.427 82.406 1.00 0.00 C ATOM 941 C ILE A 61 15.678 -10.490 81.435 1.00 0.00 C ATOM 942 O ILE A 61 16.422 -9.610 81.828 1.00 0.00 O ATOM 943 CB ILE A 61 15.918 -12.573 82.752 1.00 0.00 C ATOM 944 CG1 ILE A 61 17.124 -12.044 83.533 1.00 0.00 C ATOM 945 CG2 ILE A 61 16.405 -13.222 81.454 1.00 0.00 C ATOM 946 CD1 ILE A 61 18.108 -13.189 83.801 1.00 0.00 C ATOM 0 H ILE A 61 13.680 -13.034 81.876 1.00 0.00 H new ATOM 0 HA ILE A 61 14.681 -10.860 83.291 1.00 0.00 H new ATOM 0 HB ILE A 61 15.391 -13.304 83.366 1.00 0.00 H new ATOM 0 HG12 ILE A 61 17.617 -11.253 82.968 1.00 0.00 H new ATOM 0 HG13 ILE A 61 16.796 -11.606 84.475 1.00 0.00 H new ATOM 0 HG21 ILE A 61 17.084 -14.042 81.689 1.00 0.00 H new ATOM 0 HG22 ILE A 61 15.551 -13.607 80.897 1.00 0.00 H new ATOM 0 HG23 ILE A 61 16.928 -12.480 80.850 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.965 -12.809 84.357 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.613 -13.966 84.384 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.447 -13.607 82.853 1.00 0.00 H new ATOM 958 N ASN A 62 15.483 -10.694 80.166 1.00 0.00 N ATOM 959 CA ASN A 62 16.172 -9.849 79.158 1.00 0.00 C ATOM 960 C ASN A 62 15.212 -9.531 77.992 1.00 0.00 C ATOM 961 O ASN A 62 15.335 -8.520 77.332 1.00 0.00 O ATOM 962 CB ASN A 62 17.395 -10.627 78.639 1.00 0.00 C ATOM 963 CG ASN A 62 16.931 -11.932 77.985 1.00 0.00 C ATOM 964 OD1 ASN A 62 15.960 -12.612 78.532 1.00 0.00 O flip ATOM 965 ND2 ASN A 62 17.461 -12.338 76.967 1.00 0.00 N flip ATOM 0 H ASN A 62 14.872 -11.414 79.781 1.00 0.00 H new ATOM 0 HA ASN A 62 16.488 -8.907 79.607 1.00 0.00 H new ATOM 0 HB2 ASN A 62 17.945 -10.022 77.918 1.00 0.00 H new ATOM 0 HB3 ASN A 62 18.078 -10.842 79.461 1.00 0.00 H new ATOM 0 HD21 ASN A 62 18.220 -11.806 76.540 1.00 0.00 H new ATOM 0 HD22 ASN A 62 17.146 -13.210 76.541 1.00 0.00 H new ATOM 972 N ALA A 63 14.254 -10.388 77.759 1.00 0.00 N ATOM 973 CA ALA A 63 13.254 -10.193 76.651 1.00 0.00 C ATOM 974 C ALA A 63 13.144 -8.731 76.136 1.00 0.00 C ATOM 975 O ALA A 63 13.338 -8.509 74.963 1.00 0.00 O ATOM 976 CB ALA A 63 11.872 -10.673 77.104 1.00 0.00 C ATOM 0 H ALA A 63 14.114 -11.240 78.302 1.00 0.00 H new ATOM 0 HA ALA A 63 13.623 -10.787 75.815 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.154 -10.529 76.297 1.00 0.00 H new ATOM 0 HB2 ALA A 63 11.921 -11.731 77.361 1.00 0.00 H new ATOM 0 HB3 ALA A 63 11.556 -10.101 77.977 1.00 0.00 H new ATOM 982 N PRO A 64 12.825 -7.778 76.996 1.00 0.00 N ATOM 983 CA PRO A 64 12.665 -6.364 76.633 1.00 0.00 C ATOM 984 C PRO A 64 13.187 -5.995 75.245 1.00 0.00 C ATOM 985 O PRO A 64 14.267 -6.369 74.827 1.00 0.00 O ATOM 986 CB PRO A 64 13.397 -5.670 77.776 1.00 0.00 C ATOM 987 CG PRO A 64 13.260 -6.638 78.996 1.00 0.00 C ATOM 988 CD PRO A 64 12.654 -7.955 78.443 1.00 0.00 C ATOM 0 HA PRO A 64 11.621 -6.066 76.534 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.444 -5.497 77.526 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.956 -4.697 77.993 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.230 -6.821 79.458 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.617 -6.207 79.764 1.00 0.00 H new ATOM 0 HD2 PRO A 64 13.181 -8.835 78.813 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.606 -8.071 78.720 1.00 0.00 H new ATOM 996 N ASP A 65 12.386 -5.235 74.538 1.00 0.00 N ATOM 997 CA ASP A 65 12.739 -4.777 73.167 1.00 0.00 C ATOM 998 C ASP A 65 12.302 -3.317 73.016 1.00 0.00 C ATOM 999 O ASP A 65 13.065 -2.464 72.601 1.00 0.00 O ATOM 1000 CB ASP A 65 12.006 -5.641 72.135 1.00 0.00 C ATOM 1001 CG ASP A 65 12.691 -7.004 72.035 1.00 0.00 C ATOM 1002 OD1 ASP A 65 13.855 -7.035 71.675 1.00 0.00 O ATOM 1003 OD2 ASP A 65 12.038 -7.995 72.319 1.00 0.00 O ATOM 0 H ASP A 65 11.478 -4.907 74.868 1.00 0.00 H new ATOM 0 HA ASP A 65 13.814 -4.865 73.007 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.963 -5.766 72.425 1.00 0.00 H new ATOM 0 HB3 ASP A 65 12.010 -5.148 71.163 1.00 0.00 H new ATOM 1008 N LYS A 66 11.076 -3.021 73.358 1.00 0.00 N ATOM 1009 CA LYS A 66 10.570 -1.633 73.253 1.00 0.00 C ATOM 1010 C LYS A 66 10.859 -0.890 74.562 1.00 0.00 C ATOM 1011 O LYS A 66 10.952 0.321 74.596 1.00 0.00 O ATOM 1012 CB LYS A 66 9.067 -1.691 73.009 1.00 0.00 C ATOM 1013 CG LYS A 66 8.599 -0.378 72.397 1.00 0.00 C ATOM 1014 CD LYS A 66 8.714 -0.434 70.868 1.00 0.00 C ATOM 1015 CE LYS A 66 8.176 0.868 70.264 1.00 0.00 C ATOM 1016 NZ LYS A 66 6.735 1.024 70.613 1.00 0.00 N ATOM 0 H LYS A 66 10.398 -3.697 73.710 1.00 0.00 H new ATOM 0 HA LYS A 66 11.059 -1.107 72.433 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.828 -2.520 72.343 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.543 -1.874 73.947 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.566 -0.183 72.684 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.199 0.446 72.784 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.754 -0.579 70.577 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.153 -1.285 70.482 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.746 1.718 70.640 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.299 0.856 69.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.284 1.679 69.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.264 0.098 70.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.651 1.404 71.577 1.00 0.00 H new ATOM 1030 N HIS A 67 11.011 -1.614 75.638 1.00 0.00 N ATOM 1031 CA HIS A 67 11.304 -0.968 76.945 1.00 0.00 C ATOM 1032 C HIS A 67 12.785 -0.635 77.009 1.00 0.00 C ATOM 1033 O HIS A 67 13.231 0.137 77.836 1.00 0.00 O ATOM 1034 CB HIS A 67 10.983 -1.946 78.069 1.00 0.00 C ATOM 1035 CG HIS A 67 9.513 -2.231 78.091 1.00 0.00 C ATOM 1036 ND1 HIS A 67 8.691 -1.764 79.100 1.00 0.00 N ATOM 1037 CD2 HIS A 67 8.705 -2.940 77.240 1.00 0.00 C ATOM 1038 CE1 HIS A 67 7.445 -2.193 78.835 1.00 0.00 C ATOM 1039 NE2 HIS A 67 7.397 -2.915 77.711 1.00 0.00 N ATOM 0 H HIS A 67 10.944 -2.631 75.665 1.00 0.00 H new ATOM 0 HA HIS A 67 10.705 -0.063 77.050 1.00 0.00 H new ATOM 0 HB2 HIS A 67 11.540 -2.872 77.927 1.00 0.00 H new ATOM 0 HB3 HIS A 67 11.296 -1.529 79.026 1.00 0.00 H new ATOM 0 HD2 HIS A 67 9.034 -3.441 76.342 1.00 0.00 H new ATOM 0 HE1 HIS A 67 6.587 -1.980 79.455 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.578 -3.353 77.290 1.00 0.00 H new ATOM 1047 N HIS A 68 13.554 -1.228 76.149 1.00 0.00 N ATOM 1048 CA HIS A 68 15.009 -0.967 76.162 1.00 0.00 C ATOM 1049 C HIS A 68 15.547 -1.163 77.580 1.00 0.00 C ATOM 1050 O HIS A 68 16.456 -0.477 78.002 1.00 0.00 O ATOM 1051 CB HIS A 68 15.278 0.473 75.708 1.00 0.00 C ATOM 1052 CG HIS A 68 14.359 0.827 74.570 1.00 0.00 C ATOM 1053 ND1 HIS A 68 14.481 0.255 73.313 1.00 0.00 N ATOM 1054 CD2 HIS A 68 13.301 1.699 74.483 1.00 0.00 C ATOM 1055 CE1 HIS A 68 13.521 0.784 72.531 1.00 0.00 C ATOM 1056 NE2 HIS A 68 12.774 1.670 73.195 1.00 0.00 N ATOM 0 H HIS A 68 13.235 -1.884 75.436 1.00 0.00 H new ATOM 0 HA HIS A 68 15.508 -1.659 75.483 1.00 0.00 H new ATOM 0 HB2 HIS A 68 15.125 1.161 76.539 1.00 0.00 H new ATOM 0 HB3 HIS A 68 16.317 0.578 75.395 1.00 0.00 H new ATOM 0 HD2 HIS A 68 12.934 2.314 75.291 1.00 0.00 H new ATOM 0 HE1 HIS A 68 13.373 0.524 71.493 1.00 0.00 H new ATOM 0 HE2 HIS A 68 11.987 2.209 72.835 1.00 0.00 H new ATOM 1064 N ILE A 69 15.019 -2.102 78.337 1.00 0.00 N ATOM 1065 CA ILE A 69 15.565 -2.293 79.708 1.00 0.00 C ATOM 1066 C ILE A 69 15.485 -3.736 80.169 1.00 0.00 C ATOM 1067 O ILE A 69 14.759 -4.575 79.678 1.00 0.00 O ATOM 1068 CB ILE A 69 14.883 -1.364 80.744 1.00 0.00 C ATOM 1069 CG1 ILE A 69 15.948 -0.423 81.330 1.00 0.00 C ATOM 1070 CG2 ILE A 69 14.214 -2.138 81.906 1.00 0.00 C ATOM 1071 CD1 ILE A 69 17.035 -1.222 82.083 1.00 0.00 C ATOM 0 H ILE A 69 14.256 -2.724 78.069 1.00 0.00 H new ATOM 0 HA ILE A 69 16.618 -2.019 79.645 1.00 0.00 H new ATOM 0 HB ILE A 69 14.096 -0.817 80.224 1.00 0.00 H new ATOM 0 HG12 ILE A 69 16.407 0.157 80.529 1.00 0.00 H new ATOM 0 HG13 ILE A 69 15.477 0.288 82.009 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.755 -1.431 82.597 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.449 -2.804 81.507 1.00 0.00 H new ATOM 0 HG23 ILE A 69 14.966 -2.724 82.434 1.00 0.00 H new ATOM 0 HD11 ILE A 69 17.777 -0.534 82.488 1.00 0.00 H new ATOM 0 HD12 ILE A 69 16.576 -1.782 82.898 1.00 0.00 H new ATOM 0 HD13 ILE A 69 17.520 -1.914 81.395 1.00 0.00 H new ATOM 1083 N THR A 70 16.306 -3.971 81.122 1.00 0.00 N ATOM 1084 CA THR A 70 16.473 -5.262 81.779 1.00 0.00 C ATOM 1085 C THR A 70 15.890 -5.049 83.189 1.00 0.00 C ATOM 1086 O THR A 70 16.360 -4.185 83.891 1.00 0.00 O ATOM 1087 CB THR A 70 17.990 -5.491 81.778 1.00 0.00 C ATOM 1088 OG1 THR A 70 18.542 -5.066 82.999 1.00 0.00 O ATOM 1089 CG2 THR A 70 18.612 -4.648 80.662 1.00 0.00 C ATOM 0 H THR A 70 16.921 -3.251 81.501 1.00 0.00 H new ATOM 0 HA THR A 70 15.985 -6.123 81.322 1.00 0.00 H new ATOM 0 HB THR A 70 18.191 -6.552 81.630 1.00 0.00 H new ATOM 0 HG1 THR A 70 19.516 -5.005 82.914 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.691 -4.801 80.649 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.192 -4.948 79.702 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.397 -3.594 80.839 1.00 0.00 H new ATOM 1097 N PRO A 71 14.838 -5.760 83.527 1.00 0.00 N ATOM 1098 CA PRO A 71 14.142 -5.555 84.817 1.00 0.00 C ATOM 1099 C PRO A 71 15.041 -5.790 86.033 1.00 0.00 C ATOM 1100 O PRO A 71 14.680 -5.438 87.136 1.00 0.00 O ATOM 1101 CB PRO A 71 12.985 -6.551 84.782 1.00 0.00 C ATOM 1102 CG PRO A 71 12.881 -7.061 83.322 1.00 0.00 C ATOM 1103 CD PRO A 71 14.249 -6.805 82.674 1.00 0.00 C ATOM 0 HA PRO A 71 13.814 -4.521 84.926 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.165 -7.378 85.469 1.00 0.00 H new ATOM 0 HB3 PRO A 71 12.055 -6.075 85.093 1.00 0.00 H new ATOM 0 HG2 PRO A 71 12.633 -8.122 83.298 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.092 -6.537 82.783 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.862 -7.706 82.660 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.149 -6.472 81.641 1.00 0.00 H new ATOM 1111 N LEU A 72 16.199 -6.345 85.873 1.00 0.00 N ATOM 1112 CA LEU A 72 17.054 -6.524 87.065 1.00 0.00 C ATOM 1113 C LEU A 72 17.254 -5.131 87.674 1.00 0.00 C ATOM 1114 O LEU A 72 17.368 -4.964 88.867 1.00 0.00 O ATOM 1115 CB LEU A 72 18.404 -7.155 86.686 1.00 0.00 C ATOM 1116 CG LEU A 72 18.306 -8.012 85.404 1.00 0.00 C ATOM 1117 CD1 LEU A 72 17.116 -8.988 85.466 1.00 0.00 C ATOM 1118 CD2 LEU A 72 18.189 -7.108 84.179 1.00 0.00 C ATOM 0 H LEU A 72 16.585 -6.676 84.989 1.00 0.00 H new ATOM 0 HA LEU A 72 16.585 -7.199 87.781 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.143 -6.368 86.539 1.00 0.00 H new ATOM 0 HB3 LEU A 72 18.758 -7.775 87.510 1.00 0.00 H new ATOM 0 HG LEU A 72 19.216 -8.606 85.326 1.00 0.00 H new ATOM 0 HD11 LEU A 72 17.078 -9.574 84.548 1.00 0.00 H new ATOM 0 HD12 LEU A 72 17.238 -9.656 86.319 1.00 0.00 H new ATOM 0 HD13 LEU A 72 16.189 -8.425 85.576 1.00 0.00 H new ATOM 0 HD21 LEU A 72 18.120 -7.721 83.280 1.00 0.00 H new ATOM 0 HD22 LEU A 72 17.295 -6.491 84.266 1.00 0.00 H new ATOM 0 HD23 LEU A 72 19.068 -6.467 84.115 1.00 0.00 H new ATOM 1130 N LEU A 73 17.241 -4.126 86.837 1.00 0.00 N ATOM 1131 CA LEU A 73 17.366 -2.725 87.313 1.00 0.00 C ATOM 1132 C LEU A 73 16.053 -2.347 87.973 1.00 0.00 C ATOM 1133 O LEU A 73 15.982 -1.441 88.769 1.00 0.00 O ATOM 1134 CB LEU A 73 17.623 -1.788 86.129 1.00 0.00 C ATOM 1135 CG LEU A 73 19.032 -2.008 85.583 1.00 0.00 C ATOM 1136 CD1 LEU A 73 18.999 -3.083 84.498 1.00 0.00 C ATOM 1137 CD2 LEU A 73 19.560 -0.696 84.986 1.00 0.00 C ATOM 0 H LEU A 73 17.147 -4.224 85.826 1.00 0.00 H new ATOM 0 HA LEU A 73 18.197 -2.637 88.013 1.00 0.00 H new ATOM 0 HB2 LEU A 73 16.888 -1.970 85.345 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.504 -0.751 86.443 1.00 0.00 H new ATOM 0 HG LEU A 73 19.687 -2.330 86.392 1.00 0.00 H new ATOM 0 HD11 LEU A 73 20.005 -3.239 84.109 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.625 -4.015 84.921 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.343 -2.763 83.688 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.566 -0.852 84.596 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.904 -0.374 84.178 1.00 0.00 H new ATOM 0 HD23 LEU A 73 19.586 0.071 85.760 1.00 0.00 H new ATOM 1149 N SER A 74 15.000 -3.033 87.633 1.00 0.00 N ATOM 1150 CA SER A 74 13.696 -2.703 88.244 1.00 0.00 C ATOM 1151 C SER A 74 13.802 -2.869 89.765 1.00 0.00 C ATOM 1152 O SER A 74 13.401 -2.008 90.524 1.00 0.00 O ATOM 1153 CB SER A 74 12.604 -3.614 87.671 1.00 0.00 C ATOM 1154 OG SER A 74 11.334 -3.168 88.129 1.00 0.00 O ATOM 0 H SER A 74 14.990 -3.802 86.963 1.00 0.00 H new ATOM 0 HA SER A 74 13.429 -1.671 88.016 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.636 -3.600 86.582 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.774 -4.645 87.981 1.00 0.00 H new ATOM 0 HG SER A 74 10.632 -3.528 87.548 1.00 0.00 H new ATOM 1160 N ALA A 75 14.352 -3.966 90.219 1.00 0.00 N ATOM 1161 CA ALA A 75 14.486 -4.181 91.701 1.00 0.00 C ATOM 1162 C ALA A 75 15.534 -3.223 92.286 1.00 0.00 C ATOM 1163 O ALA A 75 15.430 -2.795 93.419 1.00 0.00 O ATOM 1164 CB ALA A 75 14.900 -5.631 91.981 1.00 0.00 C ATOM 0 H ALA A 75 14.714 -4.721 89.636 1.00 0.00 H new ATOM 0 HA ALA A 75 13.523 -3.982 92.172 1.00 0.00 H new ATOM 0 HB1 ALA A 75 14.996 -5.781 93.056 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.143 -6.308 91.586 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.856 -5.836 91.500 1.00 0.00 H new ATOM 1170 N VAL A 76 16.541 -2.887 91.525 1.00 0.00 N ATOM 1171 CA VAL A 76 17.603 -1.958 92.026 1.00 0.00 C ATOM 1172 C VAL A 76 16.951 -0.787 92.765 1.00 0.00 C ATOM 1173 O VAL A 76 17.105 -0.635 93.961 1.00 0.00 O ATOM 1174 CB VAL A 76 18.419 -1.469 90.816 1.00 0.00 C ATOM 1175 CG1 VAL A 76 19.336 -0.283 91.163 1.00 0.00 C ATOM 1176 CG2 VAL A 76 19.284 -2.629 90.332 1.00 0.00 C ATOM 0 H VAL A 76 16.677 -3.218 90.570 1.00 0.00 H new ATOM 0 HA VAL A 76 18.267 -2.465 92.726 1.00 0.00 H new ATOM 0 HB VAL A 76 17.721 -1.130 90.050 1.00 0.00 H new ATOM 0 HG11 VAL A 76 19.888 0.022 90.274 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.732 0.552 91.519 1.00 0.00 H new ATOM 0 HG13 VAL A 76 20.038 -0.581 91.942 1.00 0.00 H new ATOM 0 HG21 VAL A 76 19.874 -2.309 89.473 1.00 0.00 H new ATOM 0 HG22 VAL A 76 19.952 -2.944 91.134 1.00 0.00 H new ATOM 0 HG23 VAL A 76 18.645 -3.463 90.043 1.00 0.00 H new ATOM 1186 N TYR A 77 16.223 0.037 92.075 1.00 0.00 N ATOM 1187 CA TYR A 77 15.565 1.188 92.756 1.00 0.00 C ATOM 1188 C TYR A 77 14.367 0.680 93.569 1.00 0.00 C ATOM 1189 O TYR A 77 13.296 1.253 93.532 1.00 0.00 O ATOM 1190 CB TYR A 77 15.090 2.199 91.709 1.00 0.00 C ATOM 1191 CG TYR A 77 15.939 2.081 90.465 1.00 0.00 C ATOM 1192 CD1 TYR A 77 17.152 2.773 90.374 1.00 0.00 C ATOM 1193 CD2 TYR A 77 15.510 1.277 89.403 1.00 0.00 C ATOM 1194 CE1 TYR A 77 17.937 2.661 89.220 1.00 0.00 C ATOM 1195 CE2 TYR A 77 16.296 1.162 88.252 1.00 0.00 C ATOM 1196 CZ TYR A 77 17.509 1.855 88.159 1.00 0.00 C ATOM 1197 OH TYR A 77 18.285 1.738 87.026 1.00 0.00 O ATOM 0 H TYR A 77 16.053 -0.032 91.072 1.00 0.00 H new ATOM 0 HA TYR A 77 16.276 1.673 93.425 1.00 0.00 H new ATOM 0 HB2 TYR A 77 14.043 2.019 91.465 1.00 0.00 H new ATOM 0 HB3 TYR A 77 15.155 3.210 92.110 1.00 0.00 H new ATOM 0 HD1 TYR A 77 17.483 3.393 91.194 1.00 0.00 H new ATOM 0 HD2 TYR A 77 14.572 0.746 89.472 1.00 0.00 H new ATOM 0 HE1 TYR A 77 18.872 3.196 89.149 1.00 0.00 H new ATOM 0 HE2 TYR A 77 15.967 0.538 87.434 1.00 0.00 H new ATOM 0 HH TYR A 77 17.709 1.738 86.233 1.00 0.00 H new ATOM 1207 N GLU A 78 14.537 -0.390 94.304 1.00 0.00 N ATOM 1208 CA GLU A 78 13.403 -0.932 95.115 1.00 0.00 C ATOM 1209 C GLU A 78 13.847 -1.149 96.564 1.00 0.00 C ATOM 1210 O GLU A 78 13.054 -1.091 97.488 1.00 0.00 O ATOM 1211 CB GLU A 78 12.975 -2.283 94.533 1.00 0.00 C ATOM 1212 CG GLU A 78 11.536 -2.596 94.942 1.00 0.00 C ATOM 1213 CD GLU A 78 10.578 -1.765 94.087 1.00 0.00 C ATOM 1214 OE1 GLU A 78 10.898 -1.533 92.934 1.00 0.00 O ATOM 1215 OE2 GLU A 78 9.545 -1.375 94.603 1.00 0.00 O ATOM 0 H GLU A 78 15.411 -0.911 94.378 1.00 0.00 H new ATOM 0 HA GLU A 78 12.577 -0.221 95.089 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.057 -2.262 93.446 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.642 -3.069 94.888 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.331 -3.658 94.811 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.388 -2.371 95.998 1.00 0.00 H new ATOM 1222 N GLY A 79 15.096 -1.442 96.771 1.00 0.00 N ATOM 1223 CA GLY A 79 15.581 -1.714 98.150 1.00 0.00 C ATOM 1224 C GLY A 79 15.475 -3.221 98.372 1.00 0.00 C ATOM 1225 O GLY A 79 15.906 -3.751 99.376 1.00 0.00 O ATOM 0 H GLY A 79 15.806 -1.505 96.042 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.611 -1.378 98.270 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.982 -1.173 98.883 1.00 0.00 H new ATOM 1229 N HIS A 80 14.910 -3.914 97.415 1.00 0.00 N ATOM 1230 CA HIS A 80 14.772 -5.386 97.532 1.00 0.00 C ATOM 1231 C HIS A 80 16.110 -6.025 97.163 1.00 0.00 C ATOM 1232 O HIS A 80 16.750 -6.674 97.965 1.00 0.00 O ATOM 1233 CB HIS A 80 13.693 -5.870 96.562 1.00 0.00 C ATOM 1234 CG HIS A 80 12.354 -5.821 97.236 1.00 0.00 C ATOM 1235 ND1 HIS A 80 11.602 -6.965 97.445 1.00 0.00 N ATOM 1236 CD2 HIS A 80 11.621 -4.790 97.764 1.00 0.00 C ATOM 1237 CE1 HIS A 80 10.473 -6.598 98.074 1.00 0.00 C ATOM 1238 NE2 HIS A 80 10.431 -5.280 98.291 1.00 0.00 N ATOM 0 H HIS A 80 14.538 -3.514 96.554 1.00 0.00 H new ATOM 0 HA HIS A 80 14.492 -5.661 98.549 1.00 0.00 H new ATOM 0 HB2 HIS A 80 13.685 -5.245 95.669 1.00 0.00 H new ATOM 0 HB3 HIS A 80 13.911 -6.887 96.237 1.00 0.00 H new ATOM 0 HD2 HIS A 80 11.922 -3.753 97.770 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.694 -7.285 98.369 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.688 -4.749 98.745 1.00 0.00 H new ATOM 1246 N VAL A 81 16.534 -5.809 95.945 1.00 0.00 N ATOM 1247 CA VAL A 81 17.838 -6.353 95.465 1.00 0.00 C ATOM 1248 C VAL A 81 18.147 -7.718 96.093 1.00 0.00 C ATOM 1249 O VAL A 81 19.255 -8.220 96.013 1.00 0.00 O ATOM 1250 CB VAL A 81 18.928 -5.314 95.739 1.00 0.00 C ATOM 1251 CG1 VAL A 81 18.919 -4.275 94.614 1.00 0.00 C ATOM 1252 CG2 VAL A 81 18.626 -4.582 97.046 1.00 0.00 C ATOM 0 H VAL A 81 16.020 -5.268 95.250 1.00 0.00 H new ATOM 0 HA VAL A 81 17.791 -6.534 94.391 1.00 0.00 H new ATOM 0 HB VAL A 81 19.892 -5.818 95.800 1.00 0.00 H new ATOM 0 HG11 VAL A 81 19.693 -3.530 94.800 1.00 0.00 H new ATOM 0 HG12 VAL A 81 19.112 -4.768 93.661 1.00 0.00 H new ATOM 0 HG13 VAL A 81 17.946 -3.786 94.578 1.00 0.00 H new ATOM 0 HG21 VAL A 81 19.404 -3.843 97.237 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.661 -4.081 96.968 1.00 0.00 H new ATOM 0 HG23 VAL A 81 18.597 -5.299 97.866 1.00 0.00 H new ATOM 1262 N SER A 82 17.156 -8.357 96.642 1.00 0.00 N ATOM 1263 CA SER A 82 17.355 -9.725 97.174 1.00 0.00 C ATOM 1264 C SER A 82 17.149 -10.626 95.964 1.00 0.00 C ATOM 1265 O SER A 82 17.629 -11.736 95.881 1.00 0.00 O ATOM 1266 CB SER A 82 16.324 -10.025 98.269 1.00 0.00 C ATOM 1267 OG SER A 82 16.976 -10.625 99.383 1.00 0.00 O ATOM 0 H SER A 82 16.211 -7.986 96.745 1.00 0.00 H new ATOM 0 HA SER A 82 18.334 -9.867 97.631 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.827 -9.105 98.577 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.552 -10.691 97.884 1.00 0.00 H new ATOM 0 HG SER A 82 16.318 -10.815 100.084 1.00 0.00 H new ATOM 1273 N CYS A 83 16.427 -10.094 95.006 1.00 0.00 N ATOM 1274 CA CYS A 83 16.150 -10.831 93.744 1.00 0.00 C ATOM 1275 C CYS A 83 17.351 -10.667 92.800 1.00 0.00 C ATOM 1276 O CYS A 83 17.928 -11.633 92.357 1.00 0.00 O ATOM 1277 CB CYS A 83 14.895 -10.246 93.084 1.00 0.00 C ATOM 1278 SG CYS A 83 14.781 -8.473 93.442 1.00 0.00 S ATOM 0 H CYS A 83 16.013 -9.163 95.052 1.00 0.00 H new ATOM 0 HA CYS A 83 15.989 -11.888 93.955 1.00 0.00 H new ATOM 0 HB2 CYS A 83 14.931 -10.407 92.007 1.00 0.00 H new ATOM 0 HB3 CYS A 83 14.007 -10.758 93.453 1.00 0.00 H new ATOM 0 HG CYS A 83 13.717 -7.984 92.878 1.00 0.00 H new ATOM 1284 N VAL A 84 17.733 -9.448 92.502 1.00 0.00 N ATOM 1285 CA VAL A 84 18.905 -9.224 91.593 1.00 0.00 C ATOM 1286 C VAL A 84 19.977 -10.264 91.884 1.00 0.00 C ATOM 1287 O VAL A 84 20.599 -10.808 90.998 1.00 0.00 O ATOM 1288 CB VAL A 84 19.518 -7.862 91.874 1.00 0.00 C ATOM 1289 CG1 VAL A 84 18.514 -6.758 91.537 1.00 0.00 C ATOM 1290 CG2 VAL A 84 19.911 -7.799 93.355 1.00 0.00 C ATOM 0 H VAL A 84 17.286 -8.599 92.848 1.00 0.00 H new ATOM 0 HA VAL A 84 18.562 -9.291 90.561 1.00 0.00 H new ATOM 0 HB VAL A 84 20.404 -7.715 91.256 1.00 0.00 H new ATOM 0 HG11 VAL A 84 18.961 -5.785 91.741 1.00 0.00 H new ATOM 0 HG12 VAL A 84 18.246 -6.820 90.482 1.00 0.00 H new ATOM 0 HG13 VAL A 84 17.619 -6.881 92.147 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.353 -6.827 93.573 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.025 -7.942 93.973 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.635 -8.584 93.573 1.00 0.00 H new ATOM 1300 N LYS A 85 20.193 -10.517 93.143 1.00 0.00 N ATOM 1301 CA LYS A 85 21.221 -11.498 93.559 1.00 0.00 C ATOM 1302 C LYS A 85 20.996 -12.840 92.841 1.00 0.00 C ATOM 1303 O LYS A 85 21.629 -13.140 91.837 1.00 0.00 O ATOM 1304 CB LYS A 85 21.104 -11.681 95.079 1.00 0.00 C ATOM 1305 CG LYS A 85 21.531 -10.394 95.806 1.00 0.00 C ATOM 1306 CD LYS A 85 22.707 -10.676 96.755 1.00 0.00 C ATOM 1307 CE LYS A 85 23.999 -10.823 95.948 1.00 0.00 C ATOM 1308 NZ LYS A 85 24.300 -9.538 95.256 1.00 0.00 N ATOM 0 H LYS A 85 19.689 -10.075 93.912 1.00 0.00 H new ATOM 0 HA LYS A 85 22.217 -11.141 93.296 1.00 0.00 H new ATOM 0 HB2 LYS A 85 20.077 -11.933 95.344 1.00 0.00 H new ATOM 0 HB3 LYS A 85 21.730 -12.513 95.401 1.00 0.00 H new ATOM 0 HG2 LYS A 85 21.818 -9.636 95.077 1.00 0.00 H new ATOM 0 HG3 LYS A 85 20.689 -9.992 96.370 1.00 0.00 H new ATOM 0 HD2 LYS A 85 22.808 -9.864 97.476 1.00 0.00 H new ATOM 0 HD3 LYS A 85 22.517 -11.586 97.324 1.00 0.00 H new ATOM 0 HE2 LYS A 85 24.823 -11.095 96.607 1.00 0.00 H new ATOM 0 HE3 LYS A 85 23.895 -11.626 95.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 25.325 -9.458 95.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 23.809 -9.514 94.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 23.975 -8.743 95.843 1.00 0.00 H new ATOM 1322 N LEU A 86 20.105 -13.659 93.337 1.00 0.00 N ATOM 1323 CA LEU A 86 19.876 -14.966 92.662 1.00 0.00 C ATOM 1324 C LEU A 86 19.395 -14.741 91.239 1.00 0.00 C ATOM 1325 O LEU A 86 19.191 -15.672 90.491 1.00 0.00 O ATOM 1326 CB LEU A 86 18.878 -15.856 93.420 1.00 0.00 C ATOM 1327 CG LEU A 86 17.512 -15.183 93.670 1.00 0.00 C ATOM 1328 CD1 LEU A 86 17.658 -13.972 94.588 1.00 0.00 C ATOM 1329 CD2 LEU A 86 16.842 -14.764 92.356 1.00 0.00 C ATOM 0 H LEU A 86 19.536 -13.482 94.165 1.00 0.00 H new ATOM 0 HA LEU A 86 20.831 -15.492 92.651 1.00 0.00 H new ATOM 0 HB2 LEU A 86 18.722 -16.775 92.855 1.00 0.00 H new ATOM 0 HB3 LEU A 86 19.313 -16.141 94.378 1.00 0.00 H new ATOM 0 HG LEU A 86 16.876 -15.921 94.159 1.00 0.00 H new ATOM 0 HD11 LEU A 86 16.681 -13.517 94.748 1.00 0.00 H new ATOM 0 HD12 LEU A 86 18.071 -14.289 95.545 1.00 0.00 H new ATOM 0 HD13 LEU A 86 18.326 -13.245 94.127 1.00 0.00 H new ATOM 0 HD21 LEU A 86 15.882 -14.294 92.571 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.483 -14.057 91.830 1.00 0.00 H new ATOM 0 HD23 LEU A 86 16.683 -15.643 91.732 1.00 0.00 H new ATOM 1341 N LEU A 87 19.216 -13.514 90.845 1.00 0.00 N ATOM 1342 CA LEU A 87 18.754 -13.267 89.461 1.00 0.00 C ATOM 1343 C LEU A 87 19.899 -13.626 88.531 1.00 0.00 C ATOM 1344 O LEU A 87 19.713 -13.904 87.364 1.00 0.00 O ATOM 1345 CB LEU A 87 18.384 -11.792 89.304 1.00 0.00 C ATOM 1346 CG LEU A 87 17.034 -11.684 88.603 1.00 0.00 C ATOM 1347 CD1 LEU A 87 16.590 -10.221 88.565 1.00 0.00 C ATOM 1348 CD2 LEU A 87 17.157 -12.233 87.181 1.00 0.00 C ATOM 0 H LEU A 87 19.368 -12.683 91.416 1.00 0.00 H new ATOM 0 HA LEU A 87 17.874 -13.866 89.226 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.339 -11.310 90.281 1.00 0.00 H new ATOM 0 HB3 LEU A 87 19.149 -11.272 88.727 1.00 0.00 H new ATOM 0 HG LEU A 87 16.290 -12.264 89.148 1.00 0.00 H new ATOM 0 HD11 LEU A 87 15.625 -10.147 88.064 1.00 0.00 H new ATOM 0 HD12 LEU A 87 16.500 -9.841 89.583 1.00 0.00 H new ATOM 0 HD13 LEU A 87 17.328 -9.631 88.021 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.193 -12.157 86.677 1.00 0.00 H new ATOM 0 HD22 LEU A 87 17.900 -11.656 86.631 1.00 0.00 H new ATOM 0 HD23 LEU A 87 17.465 -13.278 87.220 1.00 0.00 H new ATOM 1360 N LEU A 88 21.086 -13.643 89.058 1.00 0.00 N ATOM 1361 CA LEU A 88 22.255 -14.007 88.234 1.00 0.00 C ATOM 1362 C LEU A 88 22.268 -15.502 88.065 1.00 0.00 C ATOM 1363 O LEU A 88 22.803 -16.032 87.111 1.00 0.00 O ATOM 1364 CB LEU A 88 23.536 -13.636 88.948 1.00 0.00 C ATOM 1365 CG LEU A 88 23.527 -12.163 89.273 1.00 0.00 C ATOM 1366 CD1 LEU A 88 24.341 -11.944 90.550 1.00 0.00 C ATOM 1367 CD2 LEU A 88 24.153 -11.407 88.097 1.00 0.00 C ATOM 0 H LEU A 88 21.294 -13.418 90.031 1.00 0.00 H new ATOM 0 HA LEU A 88 22.189 -13.485 87.279 1.00 0.00 H new ATOM 0 HB2 LEU A 88 23.636 -14.220 89.863 1.00 0.00 H new ATOM 0 HB3 LEU A 88 24.395 -13.875 88.322 1.00 0.00 H new ATOM 0 HG LEU A 88 22.512 -11.799 89.432 1.00 0.00 H new ATOM 0 HD11 LEU A 88 24.346 -10.883 90.801 1.00 0.00 H new ATOM 0 HD12 LEU A 88 23.893 -12.508 91.368 1.00 0.00 H new ATOM 0 HD13 LEU A 88 25.364 -12.284 90.392 1.00 0.00 H new ATOM 0 HD21 LEU A 88 24.156 -10.338 88.312 1.00 0.00 H new ATOM 0 HD22 LEU A 88 25.177 -11.750 87.947 1.00 0.00 H new ATOM 0 HD23 LEU A 88 23.572 -11.594 87.194 1.00 0.00 H new ATOM 1379 N SER A 89 21.687 -16.202 88.991 1.00 0.00 N ATOM 1380 CA SER A 89 21.684 -17.673 88.868 1.00 0.00 C ATOM 1381 C SER A 89 21.158 -18.008 87.478 1.00 0.00 C ATOM 1382 O SER A 89 21.209 -19.133 87.024 1.00 0.00 O ATOM 1383 CB SER A 89 20.783 -18.284 89.942 1.00 0.00 C ATOM 1384 OG SER A 89 20.702 -19.687 89.736 1.00 0.00 O ATOM 0 H SER A 89 21.221 -15.823 89.816 1.00 0.00 H new ATOM 0 HA SER A 89 22.687 -18.078 89.004 1.00 0.00 H new ATOM 0 HB2 SER A 89 21.183 -18.072 90.934 1.00 0.00 H new ATOM 0 HB3 SER A 89 19.789 -17.839 89.897 1.00 0.00 H new ATOM 0 HG SER A 89 20.717 -19.878 88.775 1.00 0.00 H new ATOM 1390 N LYS A 90 20.662 -17.006 86.799 1.00 0.00 N ATOM 1391 CA LYS A 90 20.133 -17.182 85.434 1.00 0.00 C ATOM 1392 C LYS A 90 20.990 -16.363 84.445 1.00 0.00 C ATOM 1393 O LYS A 90 20.947 -16.567 83.247 1.00 0.00 O ATOM 1394 CB LYS A 90 18.691 -16.668 85.434 1.00 0.00 C ATOM 1395 CG LYS A 90 17.744 -17.756 85.959 1.00 0.00 C ATOM 1396 CD LYS A 90 17.701 -17.756 87.495 1.00 0.00 C ATOM 1397 CE LYS A 90 16.638 -16.766 87.990 1.00 0.00 C ATOM 1398 NZ LYS A 90 16.635 -16.744 89.482 1.00 0.00 N ATOM 0 H LYS A 90 20.605 -16.051 87.153 1.00 0.00 H new ATOM 0 HA LYS A 90 20.163 -18.229 85.131 1.00 0.00 H new ATOM 0 HB2 LYS A 90 18.614 -15.777 86.057 1.00 0.00 H new ATOM 0 HB3 LYS A 90 18.400 -16.378 84.424 1.00 0.00 H new ATOM 0 HG2 LYS A 90 16.742 -17.592 85.564 1.00 0.00 H new ATOM 0 HG3 LYS A 90 18.072 -18.732 85.601 1.00 0.00 H new ATOM 0 HD2 LYS A 90 17.475 -18.758 87.861 1.00 0.00 H new ATOM 0 HD3 LYS A 90 18.678 -17.483 87.894 1.00 0.00 H new ATOM 0 HE2 LYS A 90 16.845 -15.769 87.601 1.00 0.00 H new ATOM 0 HE3 LYS A 90 15.655 -17.055 87.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 16.217 -15.852 89.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 16.075 -17.544 89.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 17.611 -16.820 89.832 1.00 0.00 H new ATOM 1412 N GLY A 91 21.764 -15.429 84.949 1.00 0.00 N ATOM 1413 CA GLY A 91 22.626 -14.579 84.068 1.00 0.00 C ATOM 1414 C GLY A 91 22.237 -13.110 84.268 1.00 0.00 C ATOM 1415 O GLY A 91 22.770 -12.420 85.115 1.00 0.00 O ATOM 0 H GLY A 91 21.835 -15.218 85.944 1.00 0.00 H new ATOM 0 HA2 GLY A 91 23.678 -14.728 84.312 1.00 0.00 H new ATOM 0 HA3 GLY A 91 22.497 -14.865 83.024 1.00 0.00 H new ATOM 1419 N ALA A 92 21.281 -12.646 83.511 1.00 0.00 N ATOM 1420 CA ALA A 92 20.798 -11.240 83.656 1.00 0.00 C ATOM 1421 C ALA A 92 21.944 -10.218 83.574 1.00 0.00 C ATOM 1422 O ALA A 92 21.702 -9.025 83.545 1.00 0.00 O ATOM 1423 CB ALA A 92 20.116 -11.111 85.022 1.00 0.00 C ATOM 0 H ALA A 92 20.807 -13.187 82.788 1.00 0.00 H new ATOM 0 HA ALA A 92 20.110 -11.028 82.838 1.00 0.00 H new ATOM 0 HB1 ALA A 92 19.754 -10.091 85.153 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.277 -11.804 85.077 1.00 0.00 H new ATOM 0 HB3 ALA A 92 20.832 -11.346 85.810 1.00 0.00 H new ATOM 1429 N ASP A 93 23.173 -10.648 83.545 1.00 0.00 N ATOM 1430 CA ASP A 93 24.300 -9.662 83.481 1.00 0.00 C ATOM 1431 C ASP A 93 23.946 -8.454 84.371 1.00 0.00 C ATOM 1432 O ASP A 93 23.611 -8.619 85.526 1.00 0.00 O ATOM 1433 CB ASP A 93 24.495 -9.223 82.020 1.00 0.00 C ATOM 1434 CG ASP A 93 25.940 -8.766 81.787 1.00 0.00 C ATOM 1435 OD1 ASP A 93 26.788 -9.093 82.600 1.00 0.00 O ATOM 1436 OD2 ASP A 93 26.172 -8.096 80.795 1.00 0.00 O ATOM 0 H ASP A 93 23.451 -11.629 83.562 1.00 0.00 H new ATOM 0 HA ASP A 93 25.228 -10.108 83.839 1.00 0.00 H new ATOM 0 HB2 ASP A 93 24.256 -10.049 81.350 1.00 0.00 H new ATOM 0 HB3 ASP A 93 23.807 -8.411 81.783 1.00 0.00 H new ATOM 1441 N LYS A 94 23.987 -7.251 83.857 1.00 0.00 N ATOM 1442 CA LYS A 94 23.614 -6.075 84.704 1.00 0.00 C ATOM 1443 C LYS A 94 23.327 -4.856 83.818 1.00 0.00 C ATOM 1444 O LYS A 94 22.521 -4.009 84.150 1.00 0.00 O ATOM 1445 CB LYS A 94 24.735 -5.769 85.713 1.00 0.00 C ATOM 1446 CG LYS A 94 25.992 -5.219 85.011 1.00 0.00 C ATOM 1447 CD LYS A 94 26.793 -6.357 84.355 1.00 0.00 C ATOM 1448 CE LYS A 94 26.985 -6.070 82.857 1.00 0.00 C ATOM 1449 NZ LYS A 94 28.055 -6.953 82.310 1.00 0.00 N ATOM 0 H LYS A 94 24.259 -7.032 82.899 1.00 0.00 H new ATOM 0 HA LYS A 94 22.709 -6.313 85.263 1.00 0.00 H new ATOM 0 HB2 LYS A 94 24.379 -5.044 86.445 1.00 0.00 H new ATOM 0 HB3 LYS A 94 24.990 -6.676 86.261 1.00 0.00 H new ATOM 0 HG2 LYS A 94 25.702 -4.489 84.255 1.00 0.00 H new ATOM 0 HG3 LYS A 94 26.619 -4.697 85.734 1.00 0.00 H new ATOM 0 HD2 LYS A 94 27.763 -6.457 84.842 1.00 0.00 H new ATOM 0 HD3 LYS A 94 26.270 -7.304 84.488 1.00 0.00 H new ATOM 0 HE2 LYS A 94 26.051 -6.240 82.322 1.00 0.00 H new ATOM 0 HE3 LYS A 94 27.252 -5.024 82.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 27.940 -7.041 81.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 28.986 -6.541 82.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 27.986 -7.894 82.748 1.00 0.00 H new ATOM 1463 N THR A 95 23.975 -4.771 82.686 1.00 0.00 N ATOM 1464 CA THR A 95 23.749 -3.625 81.755 1.00 0.00 C ATOM 1465 C THR A 95 23.578 -4.185 80.342 1.00 0.00 C ATOM 1466 O THR A 95 24.161 -3.697 79.393 1.00 0.00 O ATOM 1467 CB THR A 95 24.964 -2.689 81.778 1.00 0.00 C ATOM 1468 OG1 THR A 95 25.388 -2.492 83.117 1.00 0.00 O ATOM 1469 CG2 THR A 95 24.589 -1.343 81.156 1.00 0.00 C ATOM 0 H THR A 95 24.659 -5.455 82.363 1.00 0.00 H new ATOM 0 HA THR A 95 22.863 -3.068 82.059 1.00 0.00 H new ATOM 0 HB THR A 95 25.775 -3.138 81.204 1.00 0.00 H new ATOM 0 HG1 THR A 95 26.165 -1.895 83.130 1.00 0.00 H new ATOM 0 HG21 THR A 95 25.454 -0.680 81.174 1.00 0.00 H new ATOM 0 HG22 THR A 95 24.270 -1.495 80.125 1.00 0.00 H new ATOM 0 HG23 THR A 95 23.776 -0.893 81.725 1.00 0.00 H new ATOM 1477 N VAL A 96 22.798 -5.223 80.202 1.00 0.00 N ATOM 1478 CA VAL A 96 22.606 -5.849 78.868 1.00 0.00 C ATOM 1479 C VAL A 96 21.691 -4.968 77.997 1.00 0.00 C ATOM 1480 O VAL A 96 21.559 -5.199 76.814 1.00 0.00 O ATOM 1481 CB VAL A 96 21.999 -7.254 79.079 1.00 0.00 C ATOM 1482 CG1 VAL A 96 20.999 -7.603 77.972 1.00 0.00 C ATOM 1483 CG2 VAL A 96 23.117 -8.309 79.090 1.00 0.00 C ATOM 0 H VAL A 96 22.283 -5.666 80.963 1.00 0.00 H new ATOM 0 HA VAL A 96 23.559 -5.942 78.347 1.00 0.00 H new ATOM 0 HB VAL A 96 21.475 -7.249 80.035 1.00 0.00 H new ATOM 0 HG11 VAL A 96 20.591 -8.598 78.151 1.00 0.00 H new ATOM 0 HG12 VAL A 96 20.189 -6.873 77.970 1.00 0.00 H new ATOM 0 HG13 VAL A 96 21.505 -7.586 77.006 1.00 0.00 H new ATOM 0 HG21 VAL A 96 22.683 -9.298 79.239 1.00 0.00 H new ATOM 0 HG22 VAL A 96 23.649 -8.286 78.139 1.00 0.00 H new ATOM 0 HG23 VAL A 96 23.813 -8.093 79.900 1.00 0.00 H new ATOM 1493 N LYS A 97 21.080 -3.943 78.550 1.00 0.00 N ATOM 1494 CA LYS A 97 20.212 -3.067 77.698 1.00 0.00 C ATOM 1495 C LYS A 97 19.956 -1.705 78.369 1.00 0.00 C ATOM 1496 O LYS A 97 19.338 -0.839 77.788 1.00 0.00 O ATOM 1497 CB LYS A 97 18.874 -3.767 77.424 1.00 0.00 C ATOM 1498 CG LYS A 97 18.452 -3.564 75.955 1.00 0.00 C ATOM 1499 CD LYS A 97 19.125 -4.611 75.057 1.00 0.00 C ATOM 1500 CE LYS A 97 18.565 -4.501 73.633 1.00 0.00 C ATOM 1501 NZ LYS A 97 17.085 -4.677 73.661 1.00 0.00 N ATOM 0 H LYS A 97 21.143 -3.680 79.533 1.00 0.00 H new ATOM 0 HA LYS A 97 20.735 -2.889 76.758 1.00 0.00 H new ATOM 0 HB2 LYS A 97 18.963 -4.832 77.640 1.00 0.00 H new ATOM 0 HB3 LYS A 97 18.106 -3.370 78.088 1.00 0.00 H new ATOM 0 HG2 LYS A 97 17.368 -3.642 75.867 1.00 0.00 H new ATOM 0 HG3 LYS A 97 18.727 -2.562 75.626 1.00 0.00 H new ATOM 0 HD2 LYS A 97 20.204 -4.458 75.047 1.00 0.00 H new ATOM 0 HD3 LYS A 97 18.949 -5.611 75.452 1.00 0.00 H new ATOM 0 HE2 LYS A 97 18.818 -3.530 73.206 1.00 0.00 H new ATOM 0 HE3 LYS A 97 19.019 -5.258 72.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 16.759 -5.021 72.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.831 -5.367 74.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.631 -3.765 73.871 1.00 0.00 H new ATOM 1515 N GLY A 98 20.425 -1.485 79.575 1.00 0.00 N ATOM 1516 CA GLY A 98 20.185 -0.152 80.211 1.00 0.00 C ATOM 1517 C GLY A 98 21.091 0.874 79.524 1.00 0.00 C ATOM 1518 O GLY A 98 21.922 0.503 78.719 1.00 0.00 O ATOM 0 H GLY A 98 20.952 -2.155 80.135 1.00 0.00 H new ATOM 0 HA2 GLY A 98 19.139 0.136 80.109 1.00 0.00 H new ATOM 0 HA3 GLY A 98 20.401 -0.195 81.279 1.00 0.00 H new ATOM 1522 N PRO A 99 20.921 2.129 79.861 1.00 0.00 N ATOM 1523 CA PRO A 99 21.733 3.213 79.279 1.00 0.00 C ATOM 1524 C PRO A 99 23.182 2.764 79.132 1.00 0.00 C ATOM 1525 O PRO A 99 23.648 2.466 78.052 1.00 0.00 O ATOM 1526 CB PRO A 99 21.588 4.359 80.294 1.00 0.00 C ATOM 1527 CG PRO A 99 20.299 4.064 81.103 1.00 0.00 C ATOM 1528 CD PRO A 99 19.931 2.584 80.857 1.00 0.00 C ATOM 0 HA PRO A 99 21.414 3.510 78.280 1.00 0.00 H new ATOM 0 HB2 PRO A 99 22.456 4.409 80.951 1.00 0.00 H new ATOM 0 HB3 PRO A 99 21.517 5.321 79.787 1.00 0.00 H new ATOM 0 HG2 PRO A 99 20.461 4.248 82.165 1.00 0.00 H new ATOM 0 HG3 PRO A 99 19.488 4.720 80.786 1.00 0.00 H new ATOM 0 HD2 PRO A 99 19.992 2.000 81.775 1.00 0.00 H new ATOM 0 HD3 PRO A 99 18.913 2.483 80.482 1.00 0.00 H new ATOM 1536 N ASP A 100 23.888 2.712 80.210 1.00 0.00 N ATOM 1537 CA ASP A 100 25.299 2.282 80.155 1.00 0.00 C ATOM 1538 C ASP A 100 25.749 2.005 81.579 1.00 0.00 C ATOM 1539 O ASP A 100 25.235 1.127 82.246 1.00 0.00 O ATOM 1540 CB ASP A 100 26.150 3.395 79.531 1.00 0.00 C ATOM 1541 CG ASP A 100 27.569 2.884 79.274 1.00 0.00 C ATOM 1542 OD1 ASP A 100 28.177 2.384 80.206 1.00 0.00 O ATOM 1543 OD2 ASP A 100 28.026 3.006 78.148 1.00 0.00 O ATOM 0 H ASP A 100 23.545 2.952 81.140 1.00 0.00 H new ATOM 0 HA ASP A 100 25.412 1.386 79.545 1.00 0.00 H new ATOM 0 HB2 ASP A 100 25.699 3.728 78.596 1.00 0.00 H new ATOM 0 HB3 ASP A 100 26.180 4.258 80.196 1.00 0.00 H new ATOM 1548 N GLY A 101 26.683 2.749 82.067 1.00 0.00 N ATOM 1549 CA GLY A 101 27.136 2.515 83.453 1.00 0.00 C ATOM 1550 C GLY A 101 25.940 2.601 84.412 1.00 0.00 C ATOM 1551 O GLY A 101 26.071 2.346 85.600 1.00 0.00 O ATOM 0 H GLY A 101 27.152 3.507 81.571 1.00 0.00 H new ATOM 0 HA2 GLY A 101 27.607 1.535 83.531 1.00 0.00 H new ATOM 0 HA3 GLY A 101 27.889 3.253 83.729 1.00 0.00 H new ATOM 1555 N LEU A 102 24.764 2.947 83.936 1.00 0.00 N ATOM 1556 CA LEU A 102 23.621 3.035 84.890 1.00 0.00 C ATOM 1557 C LEU A 102 23.583 1.767 85.701 1.00 0.00 C ATOM 1558 O LEU A 102 24.049 1.724 86.830 1.00 0.00 O ATOM 1559 CB LEU A 102 22.264 3.213 84.198 1.00 0.00 C ATOM 1560 CG LEU A 102 21.199 3.686 85.229 1.00 0.00 C ATOM 1561 CD1 LEU A 102 19.803 3.701 84.591 1.00 0.00 C ATOM 1562 CD2 LEU A 102 21.159 2.773 86.464 1.00 0.00 C ATOM 0 H LEU A 102 24.554 3.165 82.962 1.00 0.00 H new ATOM 0 HA LEU A 102 23.782 3.917 85.510 1.00 0.00 H new ATOM 0 HB2 LEU A 102 22.350 3.941 83.392 1.00 0.00 H new ATOM 0 HB3 LEU A 102 21.951 2.272 83.745 1.00 0.00 H new ATOM 0 HG LEU A 102 21.483 4.691 85.540 1.00 0.00 H new ATOM 0 HD11 LEU A 102 19.071 4.034 85.326 1.00 0.00 H new ATOM 0 HD12 LEU A 102 19.799 4.382 83.740 1.00 0.00 H new ATOM 0 HD13 LEU A 102 19.547 2.697 84.253 1.00 0.00 H new ATOM 0 HD21 LEU A 102 20.403 3.136 87.161 1.00 0.00 H new ATOM 0 HD22 LEU A 102 20.912 1.757 86.157 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.134 2.778 86.952 1.00 0.00 H new ATOM 1574 N THR A 103 22.998 0.731 85.179 1.00 0.00 N ATOM 1575 CA THR A 103 22.910 -0.487 85.988 1.00 0.00 C ATOM 1576 C THR A 103 22.956 -0.046 87.441 1.00 0.00 C ATOM 1577 O THR A 103 22.123 0.720 87.896 1.00 0.00 O ATOM 1578 CB THR A 103 24.091 -1.417 85.663 1.00 0.00 C ATOM 1579 OG1 THR A 103 24.307 -2.317 86.740 1.00 0.00 O ATOM 1580 CG2 THR A 103 25.352 -0.586 85.433 1.00 0.00 C ATOM 0 H THR A 103 22.588 0.683 84.246 1.00 0.00 H new ATOM 0 HA THR A 103 21.993 -1.039 85.782 1.00 0.00 H new ATOM 0 HB THR A 103 23.860 -1.984 84.761 1.00 0.00 H new ATOM 0 HG1 THR A 103 25.059 -2.908 86.527 1.00 0.00 H new ATOM 0 HG21 THR A 103 26.187 -1.248 85.203 1.00 0.00 H new ATOM 0 HG22 THR A 103 25.190 0.097 84.599 1.00 0.00 H new ATOM 0 HG23 THR A 103 25.580 -0.014 86.332 1.00 0.00 H new ATOM 1588 N ALA A 104 23.909 -0.494 88.167 1.00 0.00 N ATOM 1589 CA ALA A 104 23.988 -0.109 89.586 1.00 0.00 C ATOM 1590 C ALA A 104 24.822 1.170 89.823 1.00 0.00 C ATOM 1591 O ALA A 104 24.619 1.861 90.802 1.00 0.00 O ATOM 1592 CB ALA A 104 24.626 -1.283 90.308 1.00 0.00 C ATOM 0 H ALA A 104 24.648 -1.117 87.842 1.00 0.00 H new ATOM 0 HA ALA A 104 22.988 0.119 89.956 1.00 0.00 H new ATOM 0 HB1 ALA A 104 24.711 -1.054 91.370 1.00 0.00 H new ATOM 0 HB2 ALA A 104 24.007 -2.171 90.176 1.00 0.00 H new ATOM 0 HB3 ALA A 104 25.618 -1.468 89.896 1.00 0.00 H new ATOM 1598 N LEU A 105 25.780 1.468 88.981 1.00 0.00 N ATOM 1599 CA LEU A 105 26.642 2.659 89.228 1.00 0.00 C ATOM 1600 C LEU A 105 25.847 3.957 89.348 1.00 0.00 C ATOM 1601 O LEU A 105 25.871 4.615 90.370 1.00 0.00 O ATOM 1602 CB LEU A 105 27.624 2.855 88.087 1.00 0.00 C ATOM 1603 CG LEU A 105 28.198 1.528 87.609 1.00 0.00 C ATOM 1604 CD1 LEU A 105 29.222 1.814 86.511 1.00 0.00 C ATOM 1605 CD2 LEU A 105 28.882 0.817 88.777 1.00 0.00 C ATOM 0 H LEU A 105 26.000 0.939 88.137 1.00 0.00 H new ATOM 0 HA LEU A 105 27.150 2.456 90.171 1.00 0.00 H new ATOM 0 HB2 LEU A 105 27.124 3.356 87.258 1.00 0.00 H new ATOM 0 HB3 LEU A 105 28.435 3.507 88.412 1.00 0.00 H new ATOM 0 HG LEU A 105 27.403 0.890 87.223 1.00 0.00 H new ATOM 0 HD11 LEU A 105 29.645 0.875 86.155 1.00 0.00 H new ATOM 0 HD12 LEU A 105 28.734 2.329 85.684 1.00 0.00 H new ATOM 0 HD13 LEU A 105 30.018 2.442 86.911 1.00 0.00 H new ATOM 0 HD21 LEU A 105 29.293 -0.133 88.435 1.00 0.00 H new ATOM 0 HD22 LEU A 105 29.687 1.443 89.163 1.00 0.00 H new ATOM 0 HD23 LEU A 105 28.154 0.634 89.568 1.00 0.00 H new ATOM 1617 N GLU A 106 25.212 4.382 88.292 1.00 0.00 N ATOM 1618 CA GLU A 106 24.500 5.685 88.348 1.00 0.00 C ATOM 1619 C GLU A 106 23.161 5.512 89.061 1.00 0.00 C ATOM 1620 O GLU A 106 22.452 6.466 89.304 1.00 0.00 O ATOM 1621 CB GLU A 106 24.311 6.215 86.904 1.00 0.00 C ATOM 1622 CG GLU A 106 22.837 6.512 86.603 1.00 0.00 C ATOM 1623 CD GLU A 106 22.689 6.856 85.117 1.00 0.00 C ATOM 1624 OE1 GLU A 106 23.414 6.279 84.321 1.00 0.00 O ATOM 1625 OE2 GLU A 106 21.854 7.687 84.799 1.00 0.00 O ATOM 0 H GLU A 106 25.156 3.888 87.401 1.00 0.00 H new ATOM 0 HA GLU A 106 25.083 6.413 88.912 1.00 0.00 H new ATOM 0 HB2 GLU A 106 24.901 7.121 86.768 1.00 0.00 H new ATOM 0 HB3 GLU A 106 24.688 5.480 86.193 1.00 0.00 H new ATOM 0 HG2 GLU A 106 22.221 5.648 86.852 1.00 0.00 H new ATOM 0 HG3 GLU A 106 22.487 7.341 87.218 1.00 0.00 H new ATOM 1632 N ALA A 107 22.808 4.304 89.395 1.00 0.00 N ATOM 1633 CA ALA A 107 21.503 4.078 90.078 1.00 0.00 C ATOM 1634 C ALA A 107 21.495 4.586 91.530 1.00 0.00 C ATOM 1635 O ALA A 107 20.532 5.197 91.955 1.00 0.00 O ATOM 1636 CB ALA A 107 21.210 2.581 90.099 1.00 0.00 C ATOM 0 H ALA A 107 23.363 3.465 89.226 1.00 0.00 H new ATOM 0 HA ALA A 107 20.748 4.634 89.522 1.00 0.00 H new ATOM 0 HB1 ALA A 107 20.257 2.404 90.597 1.00 0.00 H new ATOM 0 HB2 ALA A 107 21.161 2.205 89.077 1.00 0.00 H new ATOM 0 HB3 ALA A 107 22.003 2.063 90.638 1.00 0.00 H new ATOM 1642 N THR A 108 22.491 4.302 92.334 1.00 0.00 N ATOM 1643 CA THR A 108 22.388 4.750 93.755 1.00 0.00 C ATOM 1644 C THR A 108 23.739 4.841 94.470 1.00 0.00 C ATOM 1645 O THR A 108 24.777 5.087 93.887 1.00 0.00 O ATOM 1646 CB THR A 108 21.556 3.708 94.482 1.00 0.00 C ATOM 1647 OG1 THR A 108 21.301 4.136 95.812 1.00 0.00 O ATOM 1648 CG2 THR A 108 22.342 2.395 94.499 1.00 0.00 C ATOM 0 H THR A 108 23.341 3.798 92.080 1.00 0.00 H new ATOM 0 HA THR A 108 21.953 5.749 93.761 1.00 0.00 H new ATOM 0 HB THR A 108 20.602 3.568 93.975 1.00 0.00 H new ATOM 0 HG1 THR A 108 20.763 3.461 96.275 1.00 0.00 H new ATOM 0 HG21 THR A 108 21.763 1.631 95.017 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.534 2.073 93.476 1.00 0.00 H new ATOM 0 HG23 THR A 108 23.290 2.545 95.016 1.00 0.00 H new ATOM 1656 N ASP A 109 23.692 4.610 95.764 1.00 0.00 N ATOM 1657 CA ASP A 109 24.910 4.631 96.610 1.00 0.00 C ATOM 1658 C ASP A 109 24.766 3.583 97.726 1.00 0.00 C ATOM 1659 O ASP A 109 25.689 3.350 98.487 1.00 0.00 O ATOM 1660 CB ASP A 109 25.106 6.017 97.227 1.00 0.00 C ATOM 1661 CG ASP A 109 26.504 6.108 97.849 1.00 0.00 C ATOM 1662 OD1 ASP A 109 27.467 6.070 97.101 1.00 0.00 O ATOM 1663 OD2 ASP A 109 26.587 6.214 99.062 1.00 0.00 O ATOM 0 H ASP A 109 22.832 4.403 96.272 1.00 0.00 H new ATOM 0 HA ASP A 109 25.778 4.399 95.993 1.00 0.00 H new ATOM 0 HB2 ASP A 109 24.985 6.786 96.464 1.00 0.00 H new ATOM 0 HB3 ASP A 109 24.346 6.199 97.987 1.00 0.00 H new ATOM 1668 N ASN A 110 23.638 2.911 97.823 1.00 0.00 N ATOM 1669 CA ASN A 110 23.526 1.861 98.876 1.00 0.00 C ATOM 1670 C ASN A 110 24.317 0.668 98.342 1.00 0.00 C ATOM 1671 O ASN A 110 24.303 0.385 97.164 1.00 0.00 O ATOM 1672 CB ASN A 110 22.062 1.493 99.182 1.00 0.00 C ATOM 1673 CG ASN A 110 21.419 0.819 97.979 1.00 0.00 C ATOM 1674 OD1 ASN A 110 22.011 0.889 96.830 1.00 0.00 O flip ATOM 1675 ND2 ASN A 110 20.366 0.219 98.093 1.00 0.00 N flip ATOM 0 H ASN A 110 22.816 3.042 97.234 1.00 0.00 H new ATOM 0 HA ASN A 110 23.923 2.212 99.828 1.00 0.00 H new ATOM 0 HB2 ASN A 110 22.021 0.827 100.044 1.00 0.00 H new ATOM 0 HB3 ASN A 110 21.503 2.391 99.445 1.00 0.00 H new ATOM 0 HD21 ASN A 110 19.904 0.167 99.001 1.00 0.00 H new ATOM 0 HD22 ASN A 110 19.945 -0.232 97.281 1.00 0.00 H new ATOM 1682 N GLN A 111 25.085 0.044 99.175 1.00 0.00 N ATOM 1683 CA GLN A 111 25.982 -1.050 98.704 1.00 0.00 C ATOM 1684 C GLN A 111 25.242 -2.355 98.329 1.00 0.00 C ATOM 1685 O GLN A 111 25.871 -3.348 98.024 1.00 0.00 O ATOM 1686 CB GLN A 111 27.020 -1.283 99.804 1.00 0.00 C ATOM 1687 CG GLN A 111 27.810 -2.561 99.551 1.00 0.00 C ATOM 1688 CD GLN A 111 29.112 -2.506 100.356 1.00 0.00 C ATOM 1689 OE1 GLN A 111 30.151 -2.916 99.881 1.00 0.00 O ATOM 1690 NE2 GLN A 111 29.099 -2.003 101.563 1.00 0.00 N ATOM 0 H GLN A 111 25.136 0.242 100.174 1.00 0.00 H new ATOM 0 HA GLN A 111 26.455 -0.741 97.772 1.00 0.00 H new ATOM 0 HB2 GLN A 111 27.702 -0.434 99.851 1.00 0.00 H new ATOM 0 HB3 GLN A 111 26.522 -1.345 100.771 1.00 0.00 H new ATOM 0 HG2 GLN A 111 27.223 -3.431 99.843 1.00 0.00 H new ATOM 0 HG3 GLN A 111 28.028 -2.665 98.488 1.00 0.00 H new ATOM 0 HE21 GLN A 111 28.226 -1.658 101.962 1.00 0.00 H new ATOM 0 HE22 GLN A 111 29.962 -1.955 102.105 1.00 0.00 H new ATOM 1699 N ALA A 112 23.934 -2.379 98.301 1.00 0.00 N ATOM 1700 CA ALA A 112 23.230 -3.641 97.903 1.00 0.00 C ATOM 1701 C ALA A 112 23.097 -3.665 96.377 1.00 0.00 C ATOM 1702 O ALA A 112 23.344 -4.657 95.705 1.00 0.00 O ATOM 1703 CB ALA A 112 21.840 -3.678 98.540 1.00 0.00 C ATOM 0 H ALA A 112 23.328 -1.592 98.533 1.00 0.00 H new ATOM 0 HA ALA A 112 23.798 -4.507 98.242 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.331 -4.597 98.249 1.00 0.00 H new ATOM 0 HB2 ALA A 112 21.936 -3.645 99.625 1.00 0.00 H new ATOM 0 HB3 ALA A 112 21.261 -2.819 98.201 1.00 0.00 H new ATOM 1709 N ILE A 113 22.748 -2.546 95.840 1.00 0.00 N ATOM 1710 CA ILE A 113 22.613 -2.390 94.368 1.00 0.00 C ATOM 1711 C ILE A 113 23.995 -2.548 93.784 1.00 0.00 C ATOM 1712 O ILE A 113 24.237 -3.277 92.837 1.00 0.00 O ATOM 1713 CB ILE A 113 22.152 -0.954 94.117 1.00 0.00 C ATOM 1714 CG1 ILE A 113 20.628 -0.867 94.111 1.00 0.00 C ATOM 1715 CG2 ILE A 113 22.705 -0.426 92.788 1.00 0.00 C ATOM 1716 CD1 ILE A 113 20.092 -0.853 95.552 1.00 0.00 C ATOM 0 H ILE A 113 22.542 -1.701 96.372 1.00 0.00 H new ATOM 0 HA ILE A 113 21.918 -3.109 93.935 1.00 0.00 H new ATOM 0 HB ILE A 113 22.538 -0.337 94.928 1.00 0.00 H new ATOM 0 HG12 ILE A 113 20.310 0.035 93.588 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.210 -1.715 93.568 1.00 0.00 H new ATOM 0 HG21 ILE A 113 22.363 0.597 92.632 1.00 0.00 H new ATOM 0 HG22 ILE A 113 23.795 -0.444 92.814 1.00 0.00 H new ATOM 0 HG23 ILE A 113 22.351 -1.055 91.971 1.00 0.00 H new ATOM 0 HD11 ILE A 113 19.004 -0.791 95.535 1.00 0.00 H new ATOM 0 HD12 ILE A 113 20.395 -1.767 96.062 1.00 0.00 H new ATOM 0 HD13 ILE A 113 20.496 0.009 96.082 1.00 0.00 H new ATOM 1728 N LYS A 114 24.902 -1.850 94.368 1.00 0.00 N ATOM 1729 CA LYS A 114 26.286 -1.903 93.907 1.00 0.00 C ATOM 1730 C LYS A 114 26.724 -3.366 93.924 1.00 0.00 C ATOM 1731 O LYS A 114 27.734 -3.736 93.362 1.00 0.00 O ATOM 1732 CB LYS A 114 27.132 -1.007 94.812 1.00 0.00 C ATOM 1733 CG LYS A 114 26.444 0.371 94.945 1.00 0.00 C ATOM 1734 CD LYS A 114 26.555 1.154 93.628 1.00 0.00 C ATOM 1735 CE LYS A 114 26.061 2.593 93.835 1.00 0.00 C ATOM 1736 NZ LYS A 114 25.765 3.212 92.510 1.00 0.00 N ATOM 0 H LYS A 114 24.736 -1.232 95.163 1.00 0.00 H new ATOM 0 HA LYS A 114 26.406 -1.531 92.889 1.00 0.00 H new ATOM 0 HB2 LYS A 114 27.247 -1.466 95.794 1.00 0.00 H new ATOM 0 HB3 LYS A 114 28.132 -0.889 94.396 1.00 0.00 H new ATOM 0 HG2 LYS A 114 25.395 0.237 95.208 1.00 0.00 H new ATOM 0 HG3 LYS A 114 26.906 0.939 95.753 1.00 0.00 H new ATOM 0 HD2 LYS A 114 27.589 1.161 93.284 1.00 0.00 H new ATOM 0 HD3 LYS A 114 25.965 0.665 92.853 1.00 0.00 H new ATOM 0 HE2 LYS A 114 25.166 2.596 94.458 1.00 0.00 H new ATOM 0 HE3 LYS A 114 26.817 3.177 94.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 25.289 4.126 92.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 26.653 3.361 91.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 25.146 2.581 91.962 1.00 0.00 H new ATOM 1750 N ALA A 115 25.930 -4.221 94.527 1.00 0.00 N ATOM 1751 CA ALA A 115 26.271 -5.661 94.520 1.00 0.00 C ATOM 1752 C ALA A 115 26.173 -6.154 93.074 1.00 0.00 C ATOM 1753 O ALA A 115 26.970 -6.958 92.634 1.00 0.00 O ATOM 1754 CB ALA A 115 25.293 -6.459 95.400 1.00 0.00 C ATOM 0 H ALA A 115 25.070 -3.977 95.017 1.00 0.00 H new ATOM 0 HA ALA A 115 27.276 -5.804 94.918 1.00 0.00 H new ATOM 0 HB1 ALA A 115 25.563 -7.515 95.379 1.00 0.00 H new ATOM 0 HB2 ALA A 115 25.343 -6.092 96.425 1.00 0.00 H new ATOM 0 HB3 ALA A 115 24.279 -6.337 95.020 1.00 0.00 H new ATOM 1760 N LEU A 116 25.221 -5.664 92.311 1.00 0.00 N ATOM 1761 CA LEU A 116 25.136 -6.123 90.894 1.00 0.00 C ATOM 1762 C LEU A 116 26.306 -5.524 90.088 1.00 0.00 C ATOM 1763 O LEU A 116 26.648 -6.012 89.029 1.00 0.00 O ATOM 1764 CB LEU A 116 23.797 -5.713 90.245 1.00 0.00 C ATOM 1765 CG LEU A 116 22.850 -6.925 90.157 1.00 0.00 C ATOM 1766 CD1 LEU A 116 21.578 -6.540 89.391 1.00 0.00 C ATOM 1767 CD2 LEU A 116 23.532 -8.092 89.420 1.00 0.00 C ATOM 0 H LEU A 116 24.519 -4.984 92.602 1.00 0.00 H new ATOM 0 HA LEU A 116 25.195 -7.211 90.887 1.00 0.00 H new ATOM 0 HB2 LEU A 116 23.330 -4.920 90.829 1.00 0.00 H new ATOM 0 HB3 LEU A 116 23.977 -5.311 89.248 1.00 0.00 H new ATOM 0 HG LEU A 116 22.598 -7.233 91.172 1.00 0.00 H new ATOM 0 HD11 LEU A 116 20.913 -7.402 89.333 1.00 0.00 H new ATOM 0 HD12 LEU A 116 21.072 -5.726 89.911 1.00 0.00 H new ATOM 0 HD13 LEU A 116 21.843 -6.218 88.384 1.00 0.00 H new ATOM 0 HD21 LEU A 116 22.848 -8.939 89.368 1.00 0.00 H new ATOM 0 HD22 LEU A 116 23.799 -7.779 88.411 1.00 0.00 H new ATOM 0 HD23 LEU A 116 24.433 -8.386 89.959 1.00 0.00 H new ATOM 1779 N LEU A 117 26.933 -4.481 90.582 1.00 0.00 N ATOM 1780 CA LEU A 117 28.079 -3.894 89.832 1.00 0.00 C ATOM 1781 C LEU A 117 29.317 -4.746 90.132 1.00 0.00 C ATOM 1782 O LEU A 117 30.410 -4.481 89.674 1.00 0.00 O ATOM 1783 CB LEU A 117 28.242 -2.411 90.236 1.00 0.00 C ATOM 1784 CG LEU A 117 29.465 -2.144 91.143 1.00 0.00 C ATOM 1785 CD1 LEU A 117 30.758 -2.063 90.314 1.00 0.00 C ATOM 1786 CD2 LEU A 117 29.256 -0.800 91.867 1.00 0.00 C ATOM 0 H LEU A 117 26.701 -4.019 91.461 1.00 0.00 H new ATOM 0 HA LEU A 117 27.917 -3.905 88.754 1.00 0.00 H new ATOM 0 HB2 LEU A 117 28.331 -1.806 89.334 1.00 0.00 H new ATOM 0 HB3 LEU A 117 27.340 -2.083 90.752 1.00 0.00 H new ATOM 0 HG LEU A 117 29.559 -2.963 91.857 1.00 0.00 H new ATOM 0 HD11 LEU A 117 31.603 -1.874 90.976 1.00 0.00 H new ATOM 0 HD12 LEU A 117 30.912 -3.005 89.788 1.00 0.00 H new ATOM 0 HD13 LEU A 117 30.676 -1.252 89.590 1.00 0.00 H new ATOM 0 HD21 LEU A 117 30.111 -0.597 92.512 1.00 0.00 H new ATOM 0 HD22 LEU A 117 29.159 -0.002 91.131 1.00 0.00 H new ATOM 0 HD23 LEU A 117 28.350 -0.849 92.471 1.00 0.00 H new ATOM 1798 N GLN A 118 29.121 -5.801 90.876 1.00 0.00 N ATOM 1799 CA GLN A 118 30.242 -6.718 91.211 1.00 0.00 C ATOM 1800 C GLN A 118 30.711 -7.434 89.940 1.00 0.00 C ATOM 1801 O GLN A 118 29.916 -7.557 89.023 1.00 0.00 O ATOM 1802 CB GLN A 118 29.755 -7.753 92.238 1.00 0.00 C ATOM 1803 CG GLN A 118 28.873 -8.815 91.558 1.00 0.00 C ATOM 1804 CD GLN A 118 29.752 -9.911 90.947 1.00 0.00 C ATOM 1805 OE1 GLN A 118 29.745 -10.090 89.653 1.00 0.00 O flip ATOM 1806 NE2 GLN A 118 30.447 -10.614 91.653 1.00 0.00 N flip ATOM 1807 OXT GLN A 118 31.858 -7.851 89.909 1.00 0.00 O ATOM 0 H GLN A 118 28.219 -6.068 91.270 1.00 0.00 H new ATOM 0 HA GLN A 118 31.072 -6.150 91.631 1.00 0.00 H new ATOM 0 HB2 GLN A 118 30.611 -8.233 92.713 1.00 0.00 H new ATOM 0 HB3 GLN A 118 29.191 -7.254 93.026 1.00 0.00 H new ATOM 0 HG2 GLN A 118 28.187 -9.250 92.285 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.263 -8.351 90.782 1.00 0.00 H new ATOM 0 HE21 GLN A 118 30.453 -10.475 92.663 1.00 0.00 H new ATOM 0 HE22 GLN A 118 31.025 -11.344 91.235 1.00 0.00 H new