USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 582 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 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 168:sc= 0 (180deg=-0.129) USER MOD Single : A 3 GLN : amide:sc= -0.0632 X(o=-0.063,f=-0.42) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -7.02! C(o=-7!,f=-11!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -173:sc= 0.237 (180deg=0.0692) USER MOD Single : A 26 THR OG1 : rot 20:sc= 0.588 USER MOD Single : A 28 THR OG1 : rot 91:sc= 0.0242 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.201 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 99:sc= 1.2 USER MOD Single : A 36 MET CE :methyl 148:sc= -0.228 (180deg=-1.33) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.127 K(o=-0.13,f=-1.4!) USER MOD Single : A 42 ASN : amide:sc= -0.985 K(o=-0.99,f=-0.21) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0529 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN : amide:sc= -0.534 K(o=-0.53,f=-1.8) USER MOD Single : A 62 THR OG1 : rot 114:sc= 0.843 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 151:sc= -1.04 (180deg=-2.86!) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -19.217 6.839 -1.367 1.00 5.25 N ATOM 2 CA ALA A 1 -18.108 6.763 -0.430 1.00 4.54 C ATOM 3 C ALA A 1 -18.615 7.076 0.979 1.00 3.66 C ATOM 4 O ALA A 1 -18.003 7.859 1.703 1.00 4.35 O ATOM 5 CB ALA A 1 -16.998 7.717 -0.875 1.00 5.45 C ATOM 0 H1 ALA A 1 -18.850 6.830 -2.340 1.00 5.25 H new ATOM 0 H2 ALA A 1 -19.847 6.023 -1.226 1.00 5.25 H new ATOM 0 H3 ALA A 1 -19.748 7.718 -1.206 1.00 5.25 H new ATOM 0 HA ALA A 1 -17.687 5.758 -0.414 1.00 4.54 H new ATOM 0 HB1 ALA A 1 -16.166 7.660 -0.173 1.00 5.45 H new ATOM 0 HB2 ALA A 1 -16.653 7.435 -1.870 1.00 5.45 H new ATOM 0 HB3 ALA A 1 -17.383 8.736 -0.900 1.00 5.45 H new ATOM 11 N ASP A 2 -19.729 6.447 1.326 1.00 3.17 N ATOM 12 CA ASP A 2 -20.325 6.648 2.636 1.00 3.17 C ATOM 13 C ASP A 2 -20.101 5.399 3.491 1.00 2.31 C ATOM 14 O ASP A 2 -20.960 5.026 4.287 1.00 3.06 O ATOM 15 CB ASP A 2 -21.833 6.881 2.525 1.00 4.08 C ATOM 16 CG ASP A 2 -22.238 8.139 1.754 1.00 5.18 C ATOM 17 OD1 ASP A 2 -21.643 8.362 0.678 1.00 5.49 O ATOM 18 OD2 ASP A 2 -23.134 8.850 2.259 1.00 6.29 O ATOM 0 H ASP A 2 -20.234 5.798 0.723 1.00 3.17 H new ATOM 0 HA ASP A 2 -19.857 7.522 3.089 1.00 3.17 H new ATOM 0 HB2 ASP A 2 -22.285 6.015 2.041 1.00 4.08 H new ATOM 0 HB3 ASP A 2 -22.251 6.938 3.530 1.00 4.08 H new ATOM 23 N GLN A 3 -18.942 4.788 3.296 1.00 1.44 N ATOM 24 CA GLN A 3 -18.594 3.588 4.039 1.00 1.80 C ATOM 25 C GLN A 3 -17.337 3.829 4.876 1.00 1.50 C ATOM 26 O GLN A 3 -17.317 3.537 6.071 1.00 2.38 O ATOM 27 CB GLN A 3 -18.407 2.396 3.099 1.00 2.76 C ATOM 28 CG GLN A 3 -19.291 1.221 3.521 1.00 3.80 C ATOM 29 CD GLN A 3 -18.504 0.220 4.370 1.00 5.22 C ATOM 30 OE1 GLN A 3 -17.396 -0.172 4.046 1.00 5.96 O ATOM 31 NE2 GLN A 3 -19.138 -0.169 5.473 1.00 6.12 N ATOM 0 H GLN A 3 -18.232 5.101 2.634 1.00 1.44 H new ATOM 0 HA GLN A 3 -19.416 3.350 4.714 1.00 1.80 H new ATOM 0 HB2 GLN A 3 -18.651 2.691 2.079 1.00 2.76 H new ATOM 0 HB3 GLN A 3 -17.361 2.088 3.100 1.00 2.76 H new ATOM 0 HG2 GLN A 3 -20.147 1.590 4.087 1.00 3.80 H new ATOM 0 HG3 GLN A 3 -19.685 0.722 2.636 1.00 3.80 H new ATOM 0 HE21 GLN A 3 -20.065 0.199 5.685 1.00 6.12 H new ATOM 0 HE22 GLN A 3 -18.697 -0.835 6.107 1.00 6.12 H new ATOM 40 N LEU A 4 -16.317 4.359 4.217 1.00 0.80 N ATOM 41 CA LEU A 4 -15.059 4.643 4.886 1.00 0.66 C ATOM 42 C LEU A 4 -14.114 5.346 3.909 1.00 0.62 C ATOM 43 O LEU A 4 -13.388 6.261 4.293 1.00 0.89 O ATOM 44 CB LEU A 4 -14.476 3.365 5.493 1.00 1.03 C ATOM 45 CG LEU A 4 -13.569 2.541 4.577 1.00 1.04 C ATOM 46 CD1 LEU A 4 -12.506 1.794 5.386 1.00 1.84 C ATOM 47 CD2 LEU A 4 -14.390 1.595 3.699 1.00 2.84 C ATOM 0 H LEU A 4 -16.336 4.599 3.226 1.00 0.80 H new ATOM 0 HA LEU A 4 -15.217 5.324 5.723 1.00 0.66 H new ATOM 0 HB2 LEU A 4 -13.910 3.635 6.384 1.00 1.03 H new ATOM 0 HB3 LEU A 4 -15.301 2.732 5.819 1.00 1.03 H new ATOM 0 HG LEU A 4 -13.045 3.225 3.910 1.00 1.04 H new ATOM 0 HD11 LEU A 4 -11.875 1.216 4.711 1.00 1.84 H new ATOM 0 HD12 LEU A 4 -11.893 2.512 5.931 1.00 1.84 H new ATOM 0 HD13 LEU A 4 -12.992 1.122 6.093 1.00 1.84 H new ATOM 0 HD21 LEU A 4 -13.721 1.021 3.058 1.00 2.84 H new ATOM 0 HD22 LEU A 4 -14.959 0.914 4.331 1.00 2.84 H new ATOM 0 HD23 LEU A 4 -15.076 2.175 3.081 1.00 2.84 H new ATOM 59 N THR A 5 -14.155 4.892 2.665 1.00 0.61 N ATOM 60 CA THR A 5 -13.312 5.466 1.631 1.00 0.63 C ATOM 61 C THR A 5 -13.190 6.980 1.821 1.00 0.52 C ATOM 62 O THR A 5 -12.156 7.567 1.508 1.00 0.54 O ATOM 63 CB THR A 5 -13.893 5.070 0.272 1.00 0.76 C ATOM 64 OG1 THR A 5 -13.499 3.710 0.109 1.00 1.66 O ATOM 65 CG2 THR A 5 -13.214 5.797 -0.890 1.00 1.61 C ATOM 0 H THR A 5 -14.759 4.133 2.350 1.00 0.61 H new ATOM 0 HA THR A 5 -12.295 5.079 1.691 1.00 0.63 H new ATOM 0 HB THR A 5 -14.962 5.284 0.258 1.00 0.76 H new ATOM 0 HG1 THR A 5 -13.836 3.372 -0.747 1.00 1.66 H new ATOM 0 HG21 THR A 5 -13.664 5.479 -1.831 1.00 1.61 H new ATOM 0 HG22 THR A 5 -13.343 6.873 -0.771 1.00 1.61 H new ATOM 0 HG23 THR A 5 -12.151 5.557 -0.897 1.00 1.61 H new ATOM 73 N GLU A 6 -14.261 7.567 2.334 1.00 0.52 N ATOM 74 CA GLU A 6 -14.287 9.001 2.570 1.00 0.51 C ATOM 75 C GLU A 6 -13.219 9.390 3.594 1.00 0.46 C ATOM 76 O GLU A 6 -12.320 10.173 3.291 1.00 0.49 O ATOM 77 CB GLU A 6 -15.675 9.456 3.026 1.00 0.63 C ATOM 78 CG GLU A 6 -15.679 10.949 3.363 1.00 0.96 C ATOM 79 CD GLU A 6 -17.087 11.535 3.240 1.00 1.48 C ATOM 80 OE1 GLU A 6 -17.773 11.163 2.264 1.00 2.35 O ATOM 81 OE2 GLU A 6 -17.445 12.341 4.126 1.00 2.38 O ATOM 0 H GLU A 6 -15.117 7.076 2.593 1.00 0.52 H new ATOM 0 HA GLU A 6 -14.064 9.508 1.631 1.00 0.51 H new ATOM 0 HB2 GLU A 6 -16.404 9.255 2.241 1.00 0.63 H new ATOM 0 HB3 GLU A 6 -15.981 8.881 3.900 1.00 0.63 H new ATOM 0 HG2 GLU A 6 -15.307 11.098 4.377 1.00 0.96 H new ATOM 0 HG3 GLU A 6 -15.001 11.478 2.693 1.00 0.96 H new ATOM 88 N GLU A 7 -13.352 8.824 4.785 1.00 0.47 N ATOM 89 CA GLU A 7 -12.409 9.102 5.855 1.00 0.54 C ATOM 90 C GLU A 7 -11.056 8.456 5.551 1.00 0.47 C ATOM 91 O GLU A 7 -10.017 8.947 5.990 1.00 0.47 O ATOM 92 CB GLU A 7 -12.954 8.626 7.203 1.00 0.69 C ATOM 93 CG GLU A 7 -13.279 7.131 7.165 1.00 0.81 C ATOM 94 CD GLU A 7 -12.920 6.459 8.492 1.00 1.30 C ATOM 95 OE1 GLU A 7 -11.709 6.416 8.797 1.00 2.41 O ATOM 96 OE2 GLU A 7 -13.865 6.002 9.171 1.00 1.45 O ATOM 0 H GLU A 7 -14.098 8.174 5.032 1.00 0.47 H new ATOM 0 HA GLU A 7 -12.268 10.181 5.918 1.00 0.54 H new ATOM 0 HB2 GLU A 7 -12.221 8.823 7.986 1.00 0.69 H new ATOM 0 HB3 GLU A 7 -13.851 9.191 7.457 1.00 0.69 H new ATOM 0 HG2 GLU A 7 -14.340 6.991 6.957 1.00 0.81 H new ATOM 0 HG3 GLU A 7 -12.730 6.656 6.352 1.00 0.81 H new ATOM 103 N GLN A 8 -11.112 7.365 4.801 1.00 0.49 N ATOM 104 CA GLN A 8 -9.904 6.647 4.434 1.00 0.47 C ATOM 105 C GLN A 8 -9.081 7.466 3.437 1.00 0.44 C ATOM 106 O GLN A 8 -7.931 7.808 3.708 1.00 0.52 O ATOM 107 CB GLN A 8 -10.238 5.267 3.864 1.00 0.49 C ATOM 108 CG GLN A 8 -9.819 4.158 4.832 1.00 1.30 C ATOM 109 CD GLN A 8 -10.694 4.167 6.087 1.00 2.70 C ATOM 110 OE1 GLN A 8 -11.812 4.657 6.093 1.00 4.08 O ATOM 111 NE2 GLN A 8 -10.125 3.599 7.147 1.00 3.30 N ATOM 0 H GLN A 8 -11.975 6.961 4.438 1.00 0.49 H new ATOM 0 HA GLN A 8 -9.307 6.498 5.334 1.00 0.47 H new ATOM 0 HB2 GLN A 8 -11.308 5.199 3.669 1.00 0.49 H new ATOM 0 HB3 GLN A 8 -9.731 5.132 2.909 1.00 0.49 H new ATOM 0 HG2 GLN A 8 -9.896 3.190 4.337 1.00 1.30 H new ATOM 0 HG3 GLN A 8 -8.774 4.290 5.112 1.00 1.30 H new ATOM 0 HE21 GLN A 8 -9.186 3.208 7.073 1.00 3.30 H new ATOM 0 HE22 GLN A 8 -10.628 3.555 8.033 1.00 3.30 H new ATOM 120 N ILE A 9 -9.704 7.759 2.305 1.00 0.42 N ATOM 121 CA ILE A 9 -9.044 8.532 1.266 1.00 0.45 C ATOM 122 C ILE A 9 -8.551 9.855 1.857 1.00 0.47 C ATOM 123 O ILE A 9 -7.672 10.503 1.290 1.00 0.67 O ATOM 124 CB ILE A 9 -9.966 8.704 0.058 1.00 0.60 C ATOM 125 CG1 ILE A 9 -11.129 9.643 0.385 1.00 1.74 C ATOM 126 CG2 ILE A 9 -10.452 7.348 -0.458 1.00 2.35 C ATOM 127 CD1 ILE A 9 -10.832 11.068 -0.087 1.00 3.18 C ATOM 0 H ILE A 9 -10.659 7.475 2.084 1.00 0.42 H new ATOM 0 HA ILE A 9 -8.167 8.001 0.895 1.00 0.45 H new ATOM 0 HB ILE A 9 -9.394 9.168 -0.745 1.00 0.60 H new ATOM 0 HG12 ILE A 9 -12.039 9.280 -0.092 1.00 1.74 H new ATOM 0 HG13 ILE A 9 -11.311 9.642 1.460 1.00 1.74 H new ATOM 0 HG21 ILE A 9 -11.106 7.499 -1.317 1.00 2.35 H new ATOM 0 HG22 ILE A 9 -9.595 6.744 -0.756 1.00 2.35 H new ATOM 0 HG23 ILE A 9 -11.002 6.834 0.331 1.00 2.35 H new ATOM 0 HD11 ILE A 9 -11.674 11.715 0.157 1.00 3.18 H new ATOM 0 HD12 ILE A 9 -9.935 11.436 0.410 1.00 3.18 H new ATOM 0 HD13 ILE A 9 -10.675 11.069 -1.166 1.00 3.18 H new ATOM 139 N ALA A 10 -9.139 10.217 2.988 1.00 0.42 N ATOM 140 CA ALA A 10 -8.771 11.451 3.661 1.00 0.47 C ATOM 141 C ALA A 10 -7.357 11.315 4.229 1.00 0.46 C ATOM 142 O ALA A 10 -6.469 12.094 3.887 1.00 0.52 O ATOM 143 CB ALA A 10 -9.805 11.770 4.742 1.00 0.54 C ATOM 0 H ALA A 10 -9.868 9.677 3.455 1.00 0.42 H new ATOM 0 HA ALA A 10 -8.765 12.285 2.959 1.00 0.47 H new ATOM 0 HB1 ALA A 10 -9.529 12.696 5.247 1.00 0.54 H new ATOM 0 HB2 ALA A 10 -10.787 11.885 4.283 1.00 0.54 H new ATOM 0 HB3 ALA A 10 -9.836 10.957 5.467 1.00 0.54 H new ATOM 149 N GLU A 11 -7.191 10.318 5.086 1.00 0.47 N ATOM 150 CA GLU A 11 -5.900 10.070 5.705 1.00 0.58 C ATOM 151 C GLU A 11 -4.919 9.505 4.676 1.00 0.48 C ATOM 152 O GLU A 11 -3.768 9.933 4.610 1.00 0.51 O ATOM 153 CB GLU A 11 -6.038 9.131 6.904 1.00 0.76 C ATOM 154 CG GLU A 11 -6.280 9.920 8.193 1.00 1.14 C ATOM 155 CD GLU A 11 -6.605 8.982 9.357 1.00 1.49 C ATOM 156 OE1 GLU A 11 -5.709 8.186 9.712 1.00 2.07 O ATOM 157 OE2 GLU A 11 -7.742 9.082 9.866 1.00 2.66 O ATOM 0 H GLU A 11 -7.929 9.672 5.366 1.00 0.47 H new ATOM 0 HA GLU A 11 -5.506 11.018 6.072 1.00 0.58 H new ATOM 0 HB2 GLU A 11 -6.864 8.440 6.736 1.00 0.76 H new ATOM 0 HB3 GLU A 11 -5.135 8.530 7.006 1.00 0.76 H new ATOM 0 HG2 GLU A 11 -5.396 10.511 8.433 1.00 1.14 H new ATOM 0 HG3 GLU A 11 -7.102 10.621 8.046 1.00 1.14 H new ATOM 164 N PHE A 12 -5.410 8.551 3.899 1.00 0.43 N ATOM 165 CA PHE A 12 -4.591 7.922 2.876 1.00 0.44 C ATOM 166 C PHE A 12 -3.901 8.973 2.004 1.00 0.41 C ATOM 167 O PHE A 12 -2.792 8.751 1.519 1.00 0.47 O ATOM 168 CB PHE A 12 -5.529 7.087 2.002 1.00 0.49 C ATOM 169 CG PHE A 12 -5.841 5.702 2.571 1.00 0.89 C ATOM 170 CD1 PHE A 12 -6.011 5.539 3.911 1.00 1.32 C ATOM 171 CD2 PHE A 12 -5.948 4.633 1.738 1.00 1.43 C ATOM 172 CE1 PHE A 12 -6.300 4.253 4.439 1.00 1.83 C ATOM 173 CE2 PHE A 12 -6.237 3.346 2.265 1.00 1.99 C ATOM 174 CZ PHE A 12 -6.407 3.184 3.605 1.00 2.06 C ATOM 0 H PHE A 12 -6.365 8.198 3.957 1.00 0.43 H new ATOM 0 HA PHE A 12 -3.818 7.311 3.342 1.00 0.44 H new ATOM 0 HB2 PHE A 12 -6.463 7.632 1.866 1.00 0.49 H new ATOM 0 HB3 PHE A 12 -5.082 6.971 1.015 1.00 0.49 H new ATOM 0 HD1 PHE A 12 -5.926 6.388 4.573 1.00 1.32 H new ATOM 0 HD2 PHE A 12 -5.813 4.762 0.674 1.00 1.43 H new ATOM 0 HE1 PHE A 12 -6.435 4.124 5.503 1.00 1.83 H new ATOM 0 HE2 PHE A 12 -6.322 2.497 1.603 1.00 1.99 H new ATOM 0 HZ PHE A 12 -6.627 2.206 4.007 1.00 2.06 H new ATOM 184 N LYS A 13 -4.585 10.094 1.831 1.00 0.40 N ATOM 185 CA LYS A 13 -4.052 11.180 1.026 1.00 0.45 C ATOM 186 C LYS A 13 -2.701 11.617 1.597 1.00 0.46 C ATOM 187 O LYS A 13 -1.685 11.564 0.907 1.00 0.53 O ATOM 188 CB LYS A 13 -5.070 12.316 0.916 1.00 0.48 C ATOM 189 CG LYS A 13 -4.745 13.232 -0.265 1.00 0.78 C ATOM 190 CD LYS A 13 -5.993 13.979 -0.740 1.00 1.19 C ATOM 191 CE LYS A 13 -6.250 13.726 -2.227 1.00 1.51 C ATOM 192 NZ LYS A 13 -6.723 14.963 -2.889 1.00 2.12 N ATOM 0 H LYS A 13 -5.504 10.274 2.235 1.00 0.40 H new ATOM 0 HA LYS A 13 -3.873 10.844 0.004 1.00 0.45 H new ATOM 0 HB2 LYS A 13 -6.071 11.902 0.794 1.00 0.48 H new ATOM 0 HB3 LYS A 13 -5.075 12.895 1.839 1.00 0.48 H new ATOM 0 HG2 LYS A 13 -3.977 13.948 0.027 1.00 0.78 H new ATOM 0 HG3 LYS A 13 -4.336 12.642 -1.085 1.00 0.78 H new ATOM 0 HD2 LYS A 13 -6.857 13.658 -0.158 1.00 1.19 H new ATOM 0 HD3 LYS A 13 -5.870 15.048 -0.565 1.00 1.19 H new ATOM 0 HE2 LYS A 13 -5.335 13.377 -2.706 1.00 1.51 H new ATOM 0 HE3 LYS A 13 -6.992 12.937 -2.345 1.00 1.51 H new ATOM 0 HZ1 LYS A 13 -6.893 14.774 -3.897 1.00 2.12 H new ATOM 0 HZ2 LYS A 13 -7.607 15.279 -2.442 1.00 2.12 H new ATOM 0 HZ3 LYS A 13 -6.002 15.706 -2.793 1.00 2.12 H new ATOM 206 N GLU A 14 -2.735 12.039 2.853 1.00 0.44 N ATOM 207 CA GLU A 14 -1.527 12.485 3.525 1.00 0.49 C ATOM 208 C GLU A 14 -0.572 11.308 3.738 1.00 0.52 C ATOM 209 O GLU A 14 0.645 11.483 3.734 1.00 0.65 O ATOM 210 CB GLU A 14 -1.858 13.170 4.853 1.00 0.57 C ATOM 211 CG GLU A 14 -1.846 14.692 4.703 1.00 1.25 C ATOM 212 CD GLU A 14 -3.220 15.286 5.021 1.00 2.50 C ATOM 213 OE1 GLU A 14 -4.039 15.357 4.080 1.00 3.99 O ATOM 214 OE2 GLU A 14 -3.420 15.654 6.199 1.00 3.26 O ATOM 0 H GLU A 14 -3.580 12.081 3.422 1.00 0.44 H new ATOM 0 HA GLU A 14 -1.032 13.219 2.889 1.00 0.49 H new ATOM 0 HB2 GLU A 14 -2.838 12.843 5.200 1.00 0.57 H new ATOM 0 HB3 GLU A 14 -1.135 12.870 5.611 1.00 0.57 H new ATOM 0 HG2 GLU A 14 -1.098 15.121 5.370 1.00 1.25 H new ATOM 0 HG3 GLU A 14 -1.557 14.958 3.686 1.00 1.25 H new ATOM 221 N ALA A 15 -1.162 10.136 3.920 1.00 0.49 N ATOM 222 CA ALA A 15 -0.379 8.930 4.135 1.00 0.56 C ATOM 223 C ALA A 15 0.421 8.615 2.869 1.00 0.54 C ATOM 224 O ALA A 15 1.598 8.265 2.946 1.00 0.56 O ATOM 225 CB ALA A 15 -1.308 7.784 4.538 1.00 0.63 C ATOM 0 H ALA A 15 -2.172 9.995 3.923 1.00 0.49 H new ATOM 0 HA ALA A 15 0.333 9.074 4.948 1.00 0.56 H new ATOM 0 HB1 ALA A 15 -0.721 6.880 4.699 1.00 0.63 H new ATOM 0 HB2 ALA A 15 -1.831 8.046 5.458 1.00 0.63 H new ATOM 0 HB3 ALA A 15 -2.035 7.608 3.745 1.00 0.63 H new ATOM 231 N PHE A 16 -0.250 8.749 1.735 1.00 0.57 N ATOM 232 CA PHE A 16 0.384 8.483 0.455 1.00 0.62 C ATOM 233 C PHE A 16 1.827 8.990 0.441 1.00 0.59 C ATOM 234 O PHE A 16 2.723 8.311 -0.059 1.00 0.64 O ATOM 235 CB PHE A 16 -0.419 9.237 -0.607 1.00 0.72 C ATOM 236 CG PHE A 16 -0.031 8.887 -2.045 1.00 0.85 C ATOM 237 CD1 PHE A 16 -0.085 7.595 -2.469 1.00 0.74 C ATOM 238 CD2 PHE A 16 0.368 9.867 -2.900 1.00 1.46 C ATOM 239 CE1 PHE A 16 0.275 7.271 -3.804 1.00 1.06 C ATOM 240 CE2 PHE A 16 0.728 9.542 -4.235 1.00 1.77 C ATOM 241 CZ PHE A 16 0.674 8.250 -4.658 1.00 1.50 C ATOM 0 H PHE A 16 -1.226 9.038 1.676 1.00 0.57 H new ATOM 0 HA PHE A 16 0.403 7.410 0.266 1.00 0.62 H new ATOM 0 HB2 PHE A 16 -1.479 9.024 -0.465 1.00 0.72 H new ATOM 0 HB3 PHE A 16 -0.286 10.308 -0.456 1.00 0.72 H new ATOM 0 HD1 PHE A 16 -0.401 6.816 -1.791 1.00 0.74 H new ATOM 0 HD2 PHE A 16 0.411 10.892 -2.564 1.00 1.46 H new ATOM 0 HE1 PHE A 16 0.232 6.246 -4.141 1.00 1.06 H new ATOM 0 HE2 PHE A 16 1.044 10.320 -4.914 1.00 1.77 H new ATOM 0 HZ PHE A 16 0.948 8.002 -5.673 1.00 1.50 H new ATOM 251 N SER A 17 2.008 10.179 0.997 1.00 0.62 N ATOM 252 CA SER A 17 3.327 10.785 1.055 1.00 0.66 C ATOM 253 C SER A 17 4.340 9.781 1.610 1.00 0.61 C ATOM 254 O SER A 17 5.368 9.522 0.986 1.00 0.62 O ATOM 255 CB SER A 17 3.314 12.053 1.911 1.00 0.74 C ATOM 256 OG SER A 17 4.489 12.837 1.723 1.00 1.59 O ATOM 0 H SER A 17 1.263 10.739 1.411 1.00 0.62 H new ATOM 0 HA SER A 17 3.619 11.065 0.043 1.00 0.66 H new ATOM 0 HB2 SER A 17 2.437 12.650 1.662 1.00 0.74 H new ATOM 0 HB3 SER A 17 3.225 11.780 2.962 1.00 0.74 H new ATOM 0 HG SER A 17 4.441 13.638 2.285 1.00 1.59 H new ATOM 262 N LEU A 18 4.014 9.243 2.776 1.00 0.58 N ATOM 263 CA LEU A 18 4.883 8.273 3.422 1.00 0.57 C ATOM 264 C LEU A 18 4.901 6.984 2.598 1.00 0.54 C ATOM 265 O LEU A 18 5.956 6.557 2.131 1.00 0.57 O ATOM 266 CB LEU A 18 4.465 8.066 4.879 1.00 0.57 C ATOM 267 CG LEU A 18 4.491 9.312 5.767 1.00 0.53 C ATOM 268 CD1 LEU A 18 3.743 9.065 7.079 1.00 0.67 C ATOM 269 CD2 LEU A 18 5.926 9.785 6.006 1.00 0.51 C ATOM 0 H LEU A 18 3.160 9.460 3.290 1.00 0.58 H new ATOM 0 HA LEU A 18 5.908 8.643 3.458 1.00 0.57 H new ATOM 0 HB2 LEU A 18 3.455 7.656 4.892 1.00 0.57 H new ATOM 0 HB3 LEU A 18 5.120 7.315 5.321 1.00 0.57 H new ATOM 0 HG LEU A 18 3.970 10.115 5.245 1.00 0.53 H new ATOM 0 HD11 LEU A 18 3.776 9.966 7.692 1.00 0.67 H new ATOM 0 HD12 LEU A 18 2.705 8.811 6.864 1.00 0.67 H new ATOM 0 HD13 LEU A 18 4.214 8.242 7.617 1.00 0.67 H new ATOM 0 HD21 LEU A 18 5.916 10.672 6.640 1.00 0.51 H new ATOM 0 HD22 LEU A 18 6.493 8.994 6.497 1.00 0.51 H new ATOM 0 HD23 LEU A 18 6.393 10.027 5.051 1.00 0.51 H new ATOM 281 N PHE A 19 3.722 6.400 2.445 1.00 0.53 N ATOM 282 CA PHE A 19 3.590 5.168 1.686 1.00 0.55 C ATOM 283 C PHE A 19 4.435 5.216 0.412 1.00 0.57 C ATOM 284 O PHE A 19 5.140 4.259 0.094 1.00 0.67 O ATOM 285 CB PHE A 19 2.115 5.037 1.300 1.00 0.54 C ATOM 286 CG PHE A 19 1.202 4.631 2.460 1.00 1.07 C ATOM 287 CD1 PHE A 19 1.612 3.687 3.349 1.00 1.60 C ATOM 288 CD2 PHE A 19 -0.018 5.215 2.601 1.00 2.22 C ATOM 289 CE1 PHE A 19 0.765 3.311 4.425 1.00 2.09 C ATOM 290 CE2 PHE A 19 -0.865 4.838 3.677 1.00 2.87 C ATOM 291 CZ PHE A 19 -0.455 3.894 4.566 1.00 2.48 C ATOM 0 H PHE A 19 2.849 6.757 2.834 1.00 0.53 H new ATOM 0 HA PHE A 19 3.931 4.324 2.285 1.00 0.55 H new ATOM 0 HB2 PHE A 19 1.770 5.988 0.895 1.00 0.54 H new ATOM 0 HB3 PHE A 19 2.023 4.299 0.503 1.00 0.54 H new ATOM 0 HD1 PHE A 19 2.581 3.224 3.237 1.00 1.60 H new ATOM 0 HD2 PHE A 19 -0.343 5.965 1.895 1.00 2.22 H new ATOM 0 HE1 PHE A 19 1.090 2.562 5.132 1.00 2.09 H new ATOM 0 HE2 PHE A 19 -1.834 5.301 3.789 1.00 2.87 H new ATOM 0 HZ PHE A 19 -1.099 3.607 5.384 1.00 2.48 H new ATOM 301 N ASP A 20 4.337 6.339 -0.284 1.00 0.55 N ATOM 302 CA ASP A 20 5.084 6.524 -1.517 1.00 0.62 C ATOM 303 C ASP A 20 6.480 7.057 -1.187 1.00 0.74 C ATOM 304 O ASP A 20 6.650 8.250 -0.942 1.00 1.08 O ATOM 305 CB ASP A 20 4.395 7.538 -2.432 1.00 0.71 C ATOM 306 CG ASP A 20 4.595 7.298 -3.929 1.00 0.76 C ATOM 307 OD1 ASP A 20 5.545 6.557 -4.263 1.00 0.83 O ATOM 308 OD2 ASP A 20 3.795 7.862 -4.707 1.00 0.94 O ATOM 0 H ASP A 20 3.751 7.130 -0.018 1.00 0.55 H new ATOM 0 HA ASP A 20 5.141 5.561 -2.025 1.00 0.62 H new ATOM 0 HB2 ASP A 20 3.326 7.531 -2.218 1.00 0.71 H new ATOM 0 HB3 ASP A 20 4.762 8.534 -2.187 1.00 0.71 H new ATOM 313 N LYS A 21 7.442 6.146 -1.192 1.00 0.75 N ATOM 314 CA LYS A 21 8.818 6.510 -0.896 1.00 0.94 C ATOM 315 C LYS A 21 9.409 7.264 -2.089 1.00 0.80 C ATOM 316 O LYS A 21 9.858 8.400 -1.948 1.00 0.96 O ATOM 317 CB LYS A 21 9.623 5.274 -0.489 1.00 1.16 C ATOM 318 CG LYS A 21 8.863 4.441 0.545 1.00 0.98 C ATOM 319 CD LYS A 21 8.770 5.179 1.882 1.00 0.88 C ATOM 320 CE LYS A 21 7.676 4.576 2.766 1.00 1.15 C ATOM 321 NZ LYS A 21 7.423 5.441 3.940 1.00 1.65 N ATOM 0 H LYS A 21 7.296 5.157 -1.396 1.00 0.75 H new ATOM 0 HA LYS A 21 8.859 7.184 -0.041 1.00 0.94 H new ATOM 0 HB2 LYS A 21 9.832 4.666 -1.369 1.00 1.16 H new ATOM 0 HB3 LYS A 21 10.585 5.581 -0.078 1.00 1.16 H new ATOM 0 HG2 LYS A 21 7.861 4.222 0.176 1.00 0.98 H new ATOM 0 HG3 LYS A 21 9.366 3.485 0.688 1.00 0.98 H new ATOM 0 HD2 LYS A 21 9.729 5.127 2.398 1.00 0.88 H new ATOM 0 HD3 LYS A 21 8.560 6.234 1.705 1.00 0.88 H new ATOM 0 HE2 LYS A 21 6.758 4.458 2.190 1.00 1.15 H new ATOM 0 HE3 LYS A 21 7.975 3.581 3.097 1.00 1.15 H new ATOM 0 HZ1 LYS A 21 6.766 4.962 4.589 1.00 1.65 H new ATOM 0 HZ2 LYS A 21 8.320 5.630 4.432 1.00 1.65 H new ATOM 0 HZ3 LYS A 21 7.005 6.340 3.625 1.00 1.65 H new ATOM 335 N ASP A 22 9.389 6.601 -3.236 1.00 0.73 N ATOM 336 CA ASP A 22 9.918 7.194 -4.452 1.00 0.63 C ATOM 337 C ASP A 22 9.306 8.583 -4.645 1.00 0.64 C ATOM 338 O ASP A 22 10.010 9.590 -4.588 1.00 0.88 O ATOM 339 CB ASP A 22 9.565 6.348 -5.677 1.00 0.61 C ATOM 340 CG ASP A 22 10.453 5.121 -5.892 1.00 1.63 C ATOM 341 OD1 ASP A 22 11.650 5.219 -5.548 1.00 2.56 O ATOM 342 OD2 ASP A 22 9.914 4.112 -6.396 1.00 1.85 O ATOM 0 H ASP A 22 9.015 5.659 -3.349 1.00 0.73 H new ATOM 0 HA ASP A 22 11.002 7.252 -4.354 1.00 0.63 H new ATOM 0 HB2 ASP A 22 8.530 6.018 -5.586 1.00 0.61 H new ATOM 0 HB3 ASP A 22 9.621 6.979 -6.564 1.00 0.61 H new ATOM 347 N GLY A 23 8.000 8.593 -4.868 1.00 0.57 N ATOM 348 CA GLY A 23 7.284 9.842 -5.070 1.00 0.62 C ATOM 349 C GLY A 23 7.025 10.091 -6.557 1.00 0.61 C ATOM 350 O GLY A 23 7.172 11.215 -7.036 1.00 0.76 O ATOM 0 H GLY A 23 7.419 7.756 -4.913 1.00 0.57 H new ATOM 0 HA2 GLY A 23 6.336 9.813 -4.532 1.00 0.62 H new ATOM 0 HA3 GLY A 23 7.862 10.668 -4.655 1.00 0.62 H new ATOM 354 N ASP A 24 6.644 9.026 -7.246 1.00 0.52 N ATOM 355 CA ASP A 24 6.363 9.115 -8.668 1.00 0.61 C ATOM 356 C ASP A 24 4.863 8.921 -8.901 1.00 0.67 C ATOM 357 O ASP A 24 4.333 9.331 -9.932 1.00 1.12 O ATOM 358 CB ASP A 24 7.107 8.027 -9.446 1.00 0.59 C ATOM 359 CG ASP A 24 7.174 6.666 -8.751 1.00 0.78 C ATOM 360 OD1 ASP A 24 6.286 6.416 -7.907 1.00 0.57 O ATOM 361 OD2 ASP A 24 8.111 5.907 -9.078 1.00 1.48 O ATOM 0 H ASP A 24 6.523 8.096 -6.845 1.00 0.52 H new ATOM 0 HA ASP A 24 6.691 10.095 -9.015 1.00 0.61 H new ATOM 0 HB2 ASP A 24 6.624 7.900 -10.415 1.00 0.59 H new ATOM 0 HB3 ASP A 24 8.123 8.370 -9.639 1.00 0.59 H new ATOM 366 N GLY A 25 4.222 8.296 -7.925 1.00 0.47 N ATOM 367 CA GLY A 25 2.794 8.042 -8.010 1.00 0.51 C ATOM 368 C GLY A 25 2.503 6.540 -8.030 1.00 0.50 C ATOM 369 O GLY A 25 1.543 6.098 -8.659 1.00 0.95 O ATOM 0 H GLY A 25 4.665 7.958 -7.071 1.00 0.47 H new ATOM 0 HA2 GLY A 25 2.288 8.502 -7.161 1.00 0.51 H new ATOM 0 HA3 GLY A 25 2.392 8.506 -8.911 1.00 0.51 H new ATOM 373 N THR A 26 3.351 5.797 -7.335 1.00 0.40 N ATOM 374 CA THR A 26 3.198 4.354 -7.265 1.00 0.41 C ATOM 375 C THR A 26 3.929 3.798 -6.041 1.00 0.39 C ATOM 376 O THR A 26 5.107 4.083 -5.835 1.00 0.46 O ATOM 377 CB THR A 26 3.689 3.761 -8.587 1.00 0.46 C ATOM 378 OG1 THR A 26 4.871 4.502 -8.881 1.00 1.05 O ATOM 379 CG2 THR A 26 2.752 4.077 -9.754 1.00 1.06 C ATOM 0 H THR A 26 4.147 6.167 -6.815 1.00 0.40 H new ATOM 0 HA THR A 26 2.153 4.074 -7.135 1.00 0.41 H new ATOM 0 HB THR A 26 3.790 2.681 -8.485 1.00 0.46 H new ATOM 0 HG1 THR A 26 5.209 4.918 -8.060 1.00 1.05 H new ATOM 0 HG21 THR A 26 3.147 3.633 -10.668 1.00 1.06 H new ATOM 0 HG22 THR A 26 1.764 3.666 -9.549 1.00 1.06 H new ATOM 0 HG23 THR A 26 2.677 5.157 -9.878 1.00 1.06 H new ATOM 387 N ILE A 27 3.199 3.015 -5.260 1.00 0.44 N ATOM 388 CA ILE A 27 3.763 2.417 -4.062 1.00 0.45 C ATOM 389 C ILE A 27 4.398 1.071 -4.420 1.00 0.46 C ATOM 390 O ILE A 27 3.801 0.020 -4.193 1.00 0.61 O ATOM 391 CB ILE A 27 2.706 2.325 -2.960 1.00 0.47 C ATOM 392 CG1 ILE A 27 2.517 3.677 -2.268 1.00 0.50 C ATOM 393 CG2 ILE A 27 3.046 1.214 -1.965 1.00 0.52 C ATOM 394 CD1 ILE A 27 1.723 4.640 -3.153 1.00 0.70 C ATOM 0 H ILE A 27 2.222 2.781 -5.434 1.00 0.44 H new ATOM 0 HA ILE A 27 4.556 3.047 -3.659 1.00 0.45 H new ATOM 0 HB ILE A 27 1.754 2.063 -3.421 1.00 0.47 H new ATOM 0 HG12 ILE A 27 1.997 3.535 -1.321 1.00 0.50 H new ATOM 0 HG13 ILE A 27 3.490 4.110 -2.035 1.00 0.50 H new ATOM 0 HG21 ILE A 27 2.279 1.170 -1.192 1.00 0.52 H new ATOM 0 HG22 ILE A 27 3.090 0.258 -2.488 1.00 0.52 H new ATOM 0 HG23 ILE A 27 4.012 1.421 -1.505 1.00 0.52 H new ATOM 0 HD11 ILE A 27 1.603 5.593 -2.638 1.00 0.70 H new ATOM 0 HD12 ILE A 27 2.258 4.799 -4.089 1.00 0.70 H new ATOM 0 HD13 ILE A 27 0.741 4.215 -3.364 1.00 0.70 H new ATOM 406 N THR A 28 5.600 1.148 -4.972 1.00 0.42 N ATOM 407 CA THR A 28 6.321 -0.051 -5.362 1.00 0.48 C ATOM 408 C THR A 28 6.395 -1.034 -4.192 1.00 0.43 C ATOM 409 O THR A 28 6.331 -0.630 -3.032 1.00 0.45 O ATOM 410 CB THR A 28 7.695 0.374 -5.887 1.00 0.53 C ATOM 411 OG1 THR A 28 7.405 1.057 -7.104 1.00 0.64 O ATOM 412 CG2 THR A 28 8.549 -0.818 -6.323 1.00 0.66 C ATOM 0 H THR A 28 6.092 2.022 -5.158 1.00 0.42 H new ATOM 0 HA THR A 28 5.802 -0.583 -6.159 1.00 0.48 H new ATOM 0 HB THR A 28 8.222 0.935 -5.115 1.00 0.53 H new ATOM 0 HG1 THR A 28 7.287 2.013 -6.923 1.00 0.64 H new ATOM 0 HG21 THR A 28 9.513 -0.461 -6.687 1.00 0.66 H new ATOM 0 HG22 THR A 28 8.705 -1.484 -5.474 1.00 0.66 H new ATOM 0 HG23 THR A 28 8.038 -1.360 -7.119 1.00 0.66 H new ATOM 420 N THR A 29 6.530 -2.306 -4.538 1.00 0.40 N ATOM 421 CA THR A 29 6.613 -3.350 -3.531 1.00 0.39 C ATOM 422 C THR A 29 7.568 -2.935 -2.410 1.00 0.38 C ATOM 423 O THR A 29 7.268 -3.123 -1.232 1.00 0.38 O ATOM 424 CB THR A 29 7.023 -4.648 -4.228 1.00 0.42 C ATOM 425 OG1 THR A 29 8.352 -4.396 -4.678 1.00 0.45 O ATOM 426 CG2 THR A 29 6.235 -4.896 -5.516 1.00 0.43 C ATOM 0 H THR A 29 6.584 -2.637 -5.501 1.00 0.40 H new ATOM 0 HA THR A 29 5.648 -3.513 -3.050 1.00 0.39 H new ATOM 0 HB THR A 29 6.878 -5.486 -3.547 1.00 0.42 H new ATOM 0 HG1 THR A 29 8.696 -5.188 -5.141 1.00 0.45 H new ATOM 0 HG21 THR A 29 6.565 -5.830 -5.971 1.00 0.43 H new ATOM 0 HG22 THR A 29 5.172 -4.961 -5.285 1.00 0.43 H new ATOM 0 HG23 THR A 29 6.406 -4.074 -6.211 1.00 0.43 H new ATOM 434 N LYS A 30 8.699 -2.377 -2.816 1.00 0.47 N ATOM 435 CA LYS A 30 9.700 -1.933 -1.860 1.00 0.54 C ATOM 436 C LYS A 30 9.111 -0.821 -0.990 1.00 0.54 C ATOM 437 O LYS A 30 9.323 -0.798 0.221 1.00 0.57 O ATOM 438 CB LYS A 30 10.988 -1.532 -2.582 1.00 0.70 C ATOM 439 CG LYS A 30 10.750 -0.334 -3.504 1.00 1.33 C ATOM 440 CD LYS A 30 11.653 -0.404 -4.737 1.00 1.44 C ATOM 441 CE LYS A 30 13.012 0.241 -4.459 1.00 1.85 C ATOM 442 NZ LYS A 30 13.676 0.618 -5.728 1.00 2.40 N ATOM 0 H LYS A 30 8.945 -2.222 -3.794 1.00 0.47 H new ATOM 0 HA LYS A 30 9.976 -2.748 -1.191 1.00 0.54 H new ATOM 0 HB2 LYS A 30 11.757 -1.285 -1.850 1.00 0.70 H new ATOM 0 HB3 LYS A 30 11.360 -2.375 -3.164 1.00 0.70 H new ATOM 0 HG2 LYS A 30 9.705 -0.311 -3.815 1.00 1.33 H new ATOM 0 HG3 LYS A 30 10.941 0.591 -2.961 1.00 1.33 H new ATOM 0 HD2 LYS A 30 11.794 -1.444 -5.031 1.00 1.44 H new ATOM 0 HD3 LYS A 30 11.171 0.101 -5.574 1.00 1.44 H new ATOM 0 HE2 LYS A 30 12.881 1.124 -3.834 1.00 1.85 H new ATOM 0 HE3 LYS A 30 13.643 -0.452 -3.903 1.00 1.85 H new ATOM 0 HZ1 LYS A 30 14.597 1.054 -5.522 1.00 2.40 H new ATOM 0 HZ2 LYS A 30 13.818 -0.231 -6.311 1.00 2.40 H new ATOM 0 HZ3 LYS A 30 13.080 1.296 -6.244 1.00 2.40 H new ATOM 456 N GLU A 31 8.382 0.073 -1.642 1.00 0.56 N ATOM 457 CA GLU A 31 7.760 1.185 -0.942 1.00 0.61 C ATOM 458 C GLU A 31 6.840 0.667 0.165 1.00 0.50 C ATOM 459 O GLU A 31 6.819 1.216 1.266 1.00 0.51 O ATOM 460 CB GLU A 31 6.996 2.085 -1.915 1.00 0.76 C ATOM 461 CG GLU A 31 7.950 2.765 -2.899 1.00 0.89 C ATOM 462 CD GLU A 31 7.181 3.636 -3.894 1.00 0.98 C ATOM 463 OE1 GLU A 31 6.386 4.475 -3.418 1.00 2.03 O ATOM 464 OE2 GLU A 31 7.407 3.445 -5.109 1.00 1.58 O ATOM 0 H GLU A 31 8.208 0.050 -2.647 1.00 0.56 H new ATOM 0 HA GLU A 31 8.545 1.786 -0.483 1.00 0.61 H new ATOM 0 HB2 GLU A 31 6.263 1.493 -2.464 1.00 0.76 H new ATOM 0 HB3 GLU A 31 6.443 2.841 -1.358 1.00 0.76 H new ATOM 0 HG2 GLU A 31 8.667 3.378 -2.352 1.00 0.89 H new ATOM 0 HG3 GLU A 31 8.522 2.010 -3.438 1.00 0.89 H new ATOM 471 N LEU A 32 6.102 -0.383 -0.165 1.00 0.51 N ATOM 472 CA LEU A 32 5.183 -0.980 0.788 1.00 0.45 C ATOM 473 C LEU A 32 5.974 -1.541 1.972 1.00 0.39 C ATOM 474 O LEU A 32 5.589 -1.354 3.125 1.00 0.52 O ATOM 475 CB LEU A 32 4.293 -2.016 0.098 1.00 0.52 C ATOM 476 CG LEU A 32 3.059 -2.469 0.880 1.00 0.80 C ATOM 477 CD1 LEU A 32 2.401 -3.678 0.214 1.00 1.63 C ATOM 478 CD2 LEU A 32 3.409 -2.742 2.345 1.00 1.65 C ATOM 0 H LEU A 32 6.122 -0.835 -1.079 1.00 0.51 H new ATOM 0 HA LEU A 32 4.505 -0.225 1.186 1.00 0.45 H new ATOM 0 HB2 LEU A 32 3.963 -1.604 -0.856 1.00 0.52 H new ATOM 0 HB3 LEU A 32 4.899 -2.894 -0.126 1.00 0.52 H new ATOM 0 HG LEU A 32 2.330 -1.659 0.868 1.00 0.80 H new ATOM 0 HD11 LEU A 32 1.526 -3.980 0.790 1.00 1.63 H new ATOM 0 HD12 LEU A 32 2.095 -3.414 -0.798 1.00 1.63 H new ATOM 0 HD13 LEU A 32 3.112 -4.503 0.175 1.00 1.63 H new ATOM 0 HD21 LEU A 32 2.515 -3.063 2.879 1.00 1.65 H new ATOM 0 HD22 LEU A 32 4.164 -3.526 2.399 1.00 1.65 H new ATOM 0 HD23 LEU A 32 3.798 -1.832 2.802 1.00 1.65 H new ATOM 490 N GLY A 33 7.066 -2.217 1.645 1.00 0.37 N ATOM 491 CA GLY A 33 7.915 -2.806 2.667 1.00 0.46 C ATOM 492 C GLY A 33 8.677 -1.725 3.436 1.00 0.48 C ATOM 493 O GLY A 33 9.090 -1.942 4.574 1.00 0.65 O ATOM 0 H GLY A 33 7.382 -2.370 0.687 1.00 0.37 H new ATOM 0 HA2 GLY A 33 7.307 -3.389 3.359 1.00 0.46 H new ATOM 0 HA3 GLY A 33 8.622 -3.495 2.205 1.00 0.46 H new ATOM 497 N THR A 34 8.841 -0.583 2.784 1.00 0.41 N ATOM 498 CA THR A 34 9.546 0.532 3.393 1.00 0.45 C ATOM 499 C THR A 34 8.717 1.130 4.531 1.00 0.43 C ATOM 500 O THR A 34 9.157 1.152 5.679 1.00 0.62 O ATOM 501 CB THR A 34 9.880 1.538 2.290 1.00 0.47 C ATOM 502 OG1 THR A 34 10.818 0.852 1.465 1.00 0.56 O ATOM 503 CG2 THR A 34 10.660 2.745 2.815 1.00 0.46 C ATOM 0 H THR A 34 8.498 -0.406 1.840 1.00 0.41 H new ATOM 0 HA THR A 34 10.480 0.207 3.851 1.00 0.45 H new ATOM 0 HB THR A 34 8.958 1.878 1.819 1.00 0.47 H new ATOM 0 HG1 THR A 34 10.356 0.475 0.688 1.00 0.56 H new ATOM 0 HG21 THR A 34 10.871 3.428 1.992 1.00 0.46 H new ATOM 0 HG22 THR A 34 10.067 3.260 3.571 1.00 0.46 H new ATOM 0 HG23 THR A 34 11.598 2.408 3.257 1.00 0.46 H new ATOM 511 N VAL A 35 7.531 1.601 4.172 1.00 0.34 N ATOM 512 CA VAL A 35 6.637 2.198 5.149 1.00 0.40 C ATOM 513 C VAL A 35 6.486 1.251 6.341 1.00 0.40 C ATOM 514 O VAL A 35 6.671 1.656 7.488 1.00 0.49 O ATOM 515 CB VAL A 35 5.301 2.547 4.490 1.00 0.45 C ATOM 516 CG1 VAL A 35 4.606 1.291 3.960 1.00 1.95 C ATOM 517 CG2 VAL A 35 4.394 3.308 5.459 1.00 2.01 C ATOM 0 H VAL A 35 7.169 1.581 3.219 1.00 0.34 H new ATOM 0 HA VAL A 35 7.052 3.132 5.527 1.00 0.40 H new ATOM 0 HB VAL A 35 5.507 3.199 3.641 1.00 0.45 H new ATOM 0 HG11 VAL A 35 3.659 1.567 3.497 1.00 1.95 H new ATOM 0 HG12 VAL A 35 5.244 0.807 3.221 1.00 1.95 H new ATOM 0 HG13 VAL A 35 4.419 0.603 4.785 1.00 1.95 H new ATOM 0 HG21 VAL A 35 3.451 3.544 4.966 1.00 2.01 H new ATOM 0 HG22 VAL A 35 4.200 2.691 6.336 1.00 2.01 H new ATOM 0 HG23 VAL A 35 4.884 4.232 5.766 1.00 2.01 H new ATOM 527 N MET A 36 6.150 0.007 6.030 1.00 0.36 N ATOM 528 CA MET A 36 5.972 -1.000 7.062 1.00 0.39 C ATOM 529 C MET A 36 7.060 -0.887 8.132 1.00 0.46 C ATOM 530 O MET A 36 6.768 -0.937 9.326 1.00 0.57 O ATOM 531 CB MET A 36 6.021 -2.392 6.429 1.00 0.46 C ATOM 532 CG MET A 36 4.796 -2.636 5.545 1.00 0.50 C ATOM 533 SD MET A 36 3.410 -3.144 6.548 1.00 0.58 S ATOM 534 CE MET A 36 3.219 -4.827 5.983 1.00 2.60 C ATOM 0 H MET A 36 5.996 -0.326 5.078 1.00 0.36 H new ATOM 0 HA MET A 36 5.004 -0.840 7.537 1.00 0.39 H new ATOM 0 HB2 MET A 36 6.929 -2.493 5.834 1.00 0.46 H new ATOM 0 HB3 MET A 36 6.066 -3.150 7.211 1.00 0.46 H new ATOM 0 HG2 MET A 36 4.546 -1.727 4.998 1.00 0.50 H new ATOM 0 HG3 MET A 36 5.019 -3.403 4.804 1.00 0.50 H new ATOM 0 HE1 MET A 36 2.852 -5.446 6.802 1.00 2.60 H new ATOM 0 HE2 MET A 36 2.506 -4.855 5.159 1.00 2.60 H new ATOM 0 HE3 MET A 36 4.182 -5.208 5.643 1.00 2.60 H new ATOM 544 N ARG A 37 8.291 -0.737 7.666 1.00 0.55 N ATOM 545 CA ARG A 37 9.423 -0.616 8.568 1.00 0.69 C ATOM 546 C ARG A 37 9.268 0.622 9.453 1.00 0.69 C ATOM 547 O ARG A 37 9.467 0.553 10.665 1.00 0.80 O ATOM 548 CB ARG A 37 10.738 -0.519 7.792 1.00 0.91 C ATOM 549 CG ARG A 37 11.032 -1.821 7.046 1.00 1.47 C ATOM 550 CD ARG A 37 12.523 -2.162 7.105 1.00 2.50 C ATOM 551 NE ARG A 37 13.201 -1.679 5.882 1.00 2.61 N ATOM 552 CZ ARG A 37 13.759 -0.466 5.762 1.00 2.81 C ATOM 553 NH1 ARG A 37 13.722 0.393 6.789 1.00 3.31 N ATOM 554 NH2 ARG A 37 14.354 -0.113 4.614 1.00 3.31 N ATOM 0 H ARG A 37 8.529 -0.697 6.675 1.00 0.55 H new ATOM 0 HA ARG A 37 9.447 -1.510 9.191 1.00 0.69 H new ATOM 0 HB2 ARG A 37 10.686 0.307 7.082 1.00 0.91 H new ATOM 0 HB3 ARG A 37 11.554 -0.297 8.479 1.00 0.91 H new ATOM 0 HG2 ARG A 37 10.452 -2.634 7.483 1.00 1.47 H new ATOM 0 HG3 ARG A 37 10.717 -1.728 6.007 1.00 1.47 H new ATOM 0 HD2 ARG A 37 12.974 -1.705 7.986 1.00 2.50 H new ATOM 0 HD3 ARG A 37 12.655 -3.240 7.202 1.00 2.50 H new ATOM 0 HE ARG A 37 13.247 -2.308 5.080 1.00 2.61 H new ATOM 0 HH11 ARG A 37 13.269 0.124 7.663 1.00 3.31 H new ATOM 0 HH12 ARG A 37 14.147 1.316 6.698 1.00 3.31 H new ATOM 0 HH21 ARG A 37 14.382 -0.767 3.832 1.00 3.31 H new ATOM 0 HH22 ARG A 37 14.779 0.810 4.522 1.00 3.31 H new ATOM 568 N SER A 38 8.912 1.727 8.812 1.00 0.70 N ATOM 569 CA SER A 38 8.728 2.979 9.526 1.00 0.86 C ATOM 570 C SER A 38 7.673 2.807 10.621 1.00 0.80 C ATOM 571 O SER A 38 7.607 3.604 11.555 1.00 0.97 O ATOM 572 CB SER A 38 8.322 4.103 8.570 1.00 1.04 C ATOM 573 OG SER A 38 8.656 5.388 9.086 1.00 1.42 O ATOM 0 H SER A 38 8.746 1.780 7.807 1.00 0.70 H new ATOM 0 HA SER A 38 9.678 3.254 9.985 1.00 0.86 H new ATOM 0 HB2 SER A 38 8.816 3.958 7.609 1.00 1.04 H new ATOM 0 HB3 SER A 38 7.249 4.053 8.387 1.00 1.04 H new ATOM 0 HG SER A 38 8.382 6.078 8.447 1.00 1.42 H new ATOM 579 N LEU A 39 6.873 1.761 10.469 1.00 0.70 N ATOM 580 CA LEU A 39 5.825 1.474 11.433 1.00 0.83 C ATOM 581 C LEU A 39 6.387 0.582 12.541 1.00 0.91 C ATOM 582 O LEU A 39 5.639 -0.132 13.207 1.00 1.92 O ATOM 583 CB LEU A 39 4.599 0.886 10.732 1.00 0.91 C ATOM 584 CG LEU A 39 3.823 1.842 9.823 1.00 0.97 C ATOM 585 CD1 LEU A 39 2.779 1.087 8.997 1.00 1.17 C ATOM 586 CD2 LEU A 39 3.199 2.982 10.631 1.00 1.11 C ATOM 0 H LEU A 39 6.930 1.102 9.692 1.00 0.70 H new ATOM 0 HA LEU A 39 5.482 2.393 11.907 1.00 0.83 H new ATOM 0 HB2 LEU A 39 4.921 0.031 10.137 1.00 0.91 H new ATOM 0 HB3 LEU A 39 3.917 0.506 11.493 1.00 0.91 H new ATOM 0 HG LEU A 39 4.526 2.292 9.121 1.00 0.97 H new ATOM 0 HD11 LEU A 39 2.242 1.789 8.360 1.00 1.17 H new ATOM 0 HD12 LEU A 39 3.276 0.341 8.377 1.00 1.17 H new ATOM 0 HD13 LEU A 39 2.075 0.592 9.666 1.00 1.17 H new ATOM 0 HD21 LEU A 39 2.653 3.647 9.961 1.00 1.11 H new ATOM 0 HD22 LEU A 39 2.513 2.570 11.371 1.00 1.11 H new ATOM 0 HD23 LEU A 39 3.985 3.542 11.137 1.00 1.11 H new ATOM 598 N GLY A 40 7.700 0.651 12.703 1.00 0.95 N ATOM 599 CA GLY A 40 8.371 -0.143 13.719 1.00 0.91 C ATOM 600 C GLY A 40 8.714 -1.536 13.189 1.00 1.04 C ATOM 601 O GLY A 40 9.831 -2.017 13.374 1.00 1.99 O ATOM 0 H GLY A 40 8.317 1.244 12.148 1.00 0.95 H new ATOM 0 HA2 GLY A 40 9.282 0.363 14.038 1.00 0.91 H new ATOM 0 HA3 GLY A 40 7.732 -0.232 14.597 1.00 0.91 H new ATOM 605 N GLN A 41 7.733 -2.145 12.539 1.00 0.86 N ATOM 606 CA GLN A 41 7.918 -3.474 11.980 1.00 0.82 C ATOM 607 C GLN A 41 9.166 -3.509 11.096 1.00 1.00 C ATOM 608 O GLN A 41 9.910 -2.532 11.027 1.00 1.94 O ATOM 609 CB GLN A 41 6.680 -3.916 11.198 1.00 0.72 C ATOM 610 CG GLN A 41 5.553 -4.335 12.145 1.00 1.44 C ATOM 611 CD GLN A 41 5.790 -5.745 12.689 1.00 2.38 C ATOM 612 OE1 GLN A 41 6.390 -6.593 12.049 1.00 3.08 O ATOM 613 NE2 GLN A 41 5.287 -5.948 13.904 1.00 3.31 N ATOM 0 H GLN A 41 6.808 -1.743 12.387 1.00 0.86 H new ATOM 0 HA GLN A 41 8.059 -4.176 12.801 1.00 0.82 H new ATOM 0 HB2 GLN A 41 6.339 -3.101 10.559 1.00 0.72 H new ATOM 0 HB3 GLN A 41 6.937 -4.748 10.543 1.00 0.72 H new ATOM 0 HG2 GLN A 41 5.487 -3.628 12.972 1.00 1.44 H new ATOM 0 HG3 GLN A 41 4.599 -4.300 11.619 1.00 1.44 H new ATOM 0 HE21 GLN A 41 4.795 -5.195 14.385 1.00 3.31 H new ATOM 0 HE22 GLN A 41 5.393 -6.857 14.355 1.00 3.31 H new ATOM 622 N ASN A 42 9.357 -4.646 10.443 1.00 0.67 N ATOM 623 CA ASN A 42 10.503 -4.822 9.566 1.00 0.66 C ATOM 624 C ASN A 42 10.262 -6.026 8.654 1.00 0.61 C ATOM 625 O ASN A 42 11.020 -6.994 8.684 1.00 0.62 O ATOM 626 CB ASN A 42 11.777 -5.086 10.371 1.00 0.76 C ATOM 627 CG ASN A 42 12.999 -4.480 9.679 1.00 1.14 C ATOM 628 OD1 ASN A 42 13.735 -5.145 8.967 1.00 1.81 O ATOM 629 ND2 ASN A 42 13.174 -3.185 9.925 1.00 1.32 N ATOM 0 H ASN A 42 8.738 -5.454 10.503 1.00 0.67 H new ATOM 0 HA ASN A 42 10.626 -3.908 8.985 1.00 0.66 H new ATOM 0 HB2 ASN A 42 11.674 -4.663 11.370 1.00 0.76 H new ATOM 0 HB3 ASN A 42 11.919 -6.160 10.492 1.00 0.76 H new ATOM 0 HD21 ASN A 42 13.962 -2.689 9.508 1.00 1.32 H new ATOM 0 HD22 ASN A 42 12.521 -2.688 10.530 1.00 1.32 H new ATOM 636 N PRO A 43 9.174 -5.924 7.844 1.00 0.61 N ATOM 637 CA PRO A 43 8.824 -6.994 6.924 1.00 0.64 C ATOM 638 C PRO A 43 9.764 -7.010 5.718 1.00 0.68 C ATOM 639 O PRO A 43 10.515 -6.060 5.498 1.00 0.83 O ATOM 640 CB PRO A 43 7.376 -6.727 6.545 1.00 0.69 C ATOM 641 CG PRO A 43 7.114 -5.272 6.896 1.00 0.69 C ATOM 642 CD PRO A 43 8.253 -4.793 7.781 1.00 0.65 C ATOM 0 HA PRO A 43 8.930 -7.983 7.369 1.00 0.64 H new ATOM 0 HB2 PRO A 43 7.211 -6.908 5.483 1.00 0.69 H new ATOM 0 HB3 PRO A 43 6.702 -7.388 7.090 1.00 0.69 H new ATOM 0 HG2 PRO A 43 7.053 -4.666 5.992 1.00 0.69 H new ATOM 0 HG3 PRO A 43 6.160 -5.170 7.413 1.00 0.69 H new ATOM 0 HD2 PRO A 43 8.737 -3.911 7.361 1.00 0.65 H new ATOM 0 HD3 PRO A 43 7.895 -4.518 8.773 1.00 0.65 H new ATOM 650 N THR A 44 9.693 -8.099 4.967 1.00 0.60 N ATOM 651 CA THR A 44 10.529 -8.252 3.789 1.00 0.66 C ATOM 652 C THR A 44 9.720 -7.970 2.521 1.00 0.60 C ATOM 653 O THR A 44 8.505 -8.158 2.502 1.00 0.67 O ATOM 654 CB THR A 44 11.140 -9.654 3.821 1.00 0.71 C ATOM 655 OG1 THR A 44 10.080 -10.484 4.287 1.00 0.65 O ATOM 656 CG2 THR A 44 12.224 -9.797 4.892 1.00 0.79 C ATOM 0 H THR A 44 9.069 -8.884 5.152 1.00 0.60 H new ATOM 0 HA THR A 44 11.343 -7.528 3.785 1.00 0.66 H new ATOM 0 HB THR A 44 11.563 -9.888 2.844 1.00 0.71 H new ATOM 0 HG1 THR A 44 10.389 -11.413 4.336 1.00 0.65 H new ATOM 0 HG21 THR A 44 12.624 -10.811 4.872 1.00 0.79 H new ATOM 0 HG22 THR A 44 13.026 -9.086 4.695 1.00 0.79 H new ATOM 0 HG23 THR A 44 11.795 -9.596 5.873 1.00 0.79 H new ATOM 664 N GLU A 45 10.428 -7.525 1.493 1.00 0.53 N ATOM 665 CA GLU A 45 9.790 -7.216 0.224 1.00 0.49 C ATOM 666 C GLU A 45 9.304 -8.499 -0.452 1.00 0.43 C ATOM 667 O GLU A 45 8.445 -8.454 -1.332 1.00 0.39 O ATOM 668 CB GLU A 45 10.740 -6.440 -0.691 1.00 0.55 C ATOM 669 CG GLU A 45 11.958 -7.287 -1.063 1.00 0.60 C ATOM 670 CD GLU A 45 12.407 -7.001 -2.498 1.00 1.78 C ATOM 671 OE1 GLU A 45 12.906 -5.878 -2.723 1.00 2.67 O ATOM 672 OE2 GLU A 45 12.242 -7.913 -3.337 1.00 3.02 O ATOM 0 H GLU A 45 11.436 -7.371 1.513 1.00 0.53 H new ATOM 0 HA GLU A 45 8.925 -6.582 0.418 1.00 0.49 H new ATOM 0 HB2 GLU A 45 10.213 -6.138 -1.596 1.00 0.55 H new ATOM 0 HB3 GLU A 45 11.066 -5.527 -0.192 1.00 0.55 H new ATOM 0 HG2 GLU A 45 12.776 -7.077 -0.374 1.00 0.60 H new ATOM 0 HG3 GLU A 45 11.716 -8.345 -0.958 1.00 0.60 H new ATOM 679 N ALA A 46 9.873 -9.613 -0.015 1.00 0.46 N ATOM 680 CA ALA A 46 9.507 -10.906 -0.567 1.00 0.45 C ATOM 681 C ALA A 46 8.065 -11.234 -0.176 1.00 0.41 C ATOM 682 O ALA A 46 7.208 -11.412 -1.040 1.00 0.41 O ATOM 683 CB ALA A 46 10.498 -11.966 -0.083 1.00 0.51 C ATOM 0 H ALA A 46 10.585 -9.647 0.715 1.00 0.46 H new ATOM 0 HA ALA A 46 9.556 -10.886 -1.656 1.00 0.45 H new ATOM 0 HB1 ALA A 46 10.224 -12.936 -0.497 1.00 0.51 H new ATOM 0 HB2 ALA A 46 11.503 -11.702 -0.412 1.00 0.51 H new ATOM 0 HB3 ALA A 46 10.474 -12.016 1.006 1.00 0.51 H new ATOM 689 N GLU A 47 7.841 -11.303 1.128 1.00 0.40 N ATOM 690 CA GLU A 47 6.517 -11.607 1.645 1.00 0.39 C ATOM 691 C GLU A 47 5.494 -10.606 1.104 1.00 0.36 C ATOM 692 O GLU A 47 4.362 -10.975 0.794 1.00 0.37 O ATOM 693 CB GLU A 47 6.515 -11.620 3.175 1.00 0.41 C ATOM 694 CG GLU A 47 7.112 -12.922 3.713 1.00 0.46 C ATOM 695 CD GLU A 47 6.033 -13.794 4.357 1.00 0.68 C ATOM 696 OE1 GLU A 47 5.748 -13.556 5.551 1.00 2.22 O ATOM 697 OE2 GLU A 47 5.516 -14.680 3.642 1.00 2.02 O ATOM 0 H GLU A 47 8.554 -11.154 1.842 1.00 0.40 H new ATOM 0 HA GLU A 47 6.236 -12.604 1.306 1.00 0.39 H new ATOM 0 HB2 GLU A 47 7.087 -10.771 3.550 1.00 0.41 H new ATOM 0 HB3 GLU A 47 5.495 -11.504 3.542 1.00 0.41 H new ATOM 0 HG2 GLU A 47 7.591 -13.470 2.901 1.00 0.46 H new ATOM 0 HG3 GLU A 47 7.887 -12.696 4.445 1.00 0.46 H new ATOM 704 N LEU A 48 5.929 -9.358 1.006 1.00 0.36 N ATOM 705 CA LEU A 48 5.065 -8.301 0.508 1.00 0.35 C ATOM 706 C LEU A 48 4.840 -8.497 -0.993 1.00 0.32 C ATOM 707 O LEU A 48 3.800 -8.112 -1.524 1.00 0.31 O ATOM 708 CB LEU A 48 5.634 -6.928 0.870 1.00 0.37 C ATOM 709 CG LEU A 48 5.309 -6.416 2.275 1.00 0.44 C ATOM 710 CD1 LEU A 48 3.798 -6.405 2.518 1.00 0.46 C ATOM 711 CD2 LEU A 48 6.054 -7.224 3.339 1.00 0.52 C ATOM 0 H LEU A 48 6.869 -9.055 1.263 1.00 0.36 H new ATOM 0 HA LEU A 48 4.087 -8.351 0.987 1.00 0.35 H new ATOM 0 HB2 LEU A 48 6.718 -6.966 0.760 1.00 0.37 H new ATOM 0 HB3 LEU A 48 5.265 -6.202 0.146 1.00 0.37 H new ATOM 0 HG LEU A 48 5.656 -5.385 2.352 1.00 0.44 H new ATOM 0 HD11 LEU A 48 3.594 -6.037 3.524 1.00 0.46 H new ATOM 0 HD12 LEU A 48 3.317 -5.753 1.789 1.00 0.46 H new ATOM 0 HD13 LEU A 48 3.406 -7.417 2.415 1.00 0.46 H new ATOM 0 HD21 LEU A 48 5.805 -6.840 4.328 1.00 0.52 H new ATOM 0 HD22 LEU A 48 5.760 -8.272 3.272 1.00 0.52 H new ATOM 0 HD23 LEU A 48 7.128 -7.137 3.176 1.00 0.52 H new ATOM 723 N GLN A 49 5.833 -9.095 -1.634 1.00 0.34 N ATOM 724 CA GLN A 49 5.757 -9.347 -3.063 1.00 0.33 C ATOM 725 C GLN A 49 4.472 -10.105 -3.401 1.00 0.27 C ATOM 726 O GLN A 49 3.858 -9.862 -4.439 1.00 0.25 O ATOM 727 CB GLN A 49 6.989 -10.112 -3.552 1.00 0.40 C ATOM 728 CG GLN A 49 7.071 -10.101 -5.079 1.00 0.40 C ATOM 729 CD GLN A 49 8.370 -10.748 -5.564 1.00 0.56 C ATOM 730 OE1 GLN A 49 8.470 -11.953 -5.727 1.00 1.46 O ATOM 731 NE2 GLN A 49 9.356 -9.883 -5.783 1.00 1.96 N ATOM 0 H GLN A 49 6.695 -9.412 -1.190 1.00 0.34 H new ATOM 0 HA GLN A 49 5.737 -8.388 -3.580 1.00 0.33 H new ATOM 0 HB2 GLN A 49 7.890 -9.664 -3.133 1.00 0.40 H new ATOM 0 HB3 GLN A 49 6.948 -11.141 -3.194 1.00 0.40 H new ATOM 0 HG2 GLN A 49 6.217 -10.635 -5.496 1.00 0.40 H new ATOM 0 HG3 GLN A 49 7.014 -9.075 -5.442 1.00 0.40 H new ATOM 0 HE21 GLN A 49 9.204 -8.887 -5.626 1.00 1.96 H new ATOM 0 HE22 GLN A 49 10.264 -10.216 -6.108 1.00 1.96 H new ATOM 740 N ASP A 50 4.103 -11.008 -2.505 1.00 0.28 N ATOM 741 CA ASP A 50 2.901 -11.804 -2.695 1.00 0.28 C ATOM 742 C ASP A 50 1.671 -10.914 -2.508 1.00 0.27 C ATOM 743 O ASP A 50 0.660 -11.097 -3.184 1.00 0.28 O ATOM 744 CB ASP A 50 2.824 -12.938 -1.671 1.00 0.36 C ATOM 745 CG ASP A 50 1.442 -13.575 -1.514 1.00 0.79 C ATOM 746 OD1 ASP A 50 0.554 -12.879 -0.976 1.00 2.31 O ATOM 747 OD2 ASP A 50 1.304 -14.743 -1.937 1.00 1.42 O ATOM 0 H ASP A 50 4.615 -11.207 -1.645 1.00 0.28 H new ATOM 0 HA ASP A 50 2.931 -12.227 -3.699 1.00 0.28 H new ATOM 0 HB2 ASP A 50 3.535 -13.714 -1.956 1.00 0.36 H new ATOM 0 HB3 ASP A 50 3.143 -12.554 -0.702 1.00 0.36 H new ATOM 752 N MET A 51 1.798 -9.969 -1.588 1.00 0.27 N ATOM 753 CA MET A 51 0.708 -9.050 -1.304 1.00 0.31 C ATOM 754 C MET A 51 0.514 -8.058 -2.453 1.00 0.30 C ATOM 755 O MET A 51 -0.588 -7.925 -2.982 1.00 0.35 O ATOM 756 CB MET A 51 1.010 -8.284 -0.014 1.00 0.36 C ATOM 757 CG MET A 51 0.390 -8.985 1.197 1.00 0.63 C ATOM 758 SD MET A 51 -0.227 -7.774 2.354 1.00 1.49 S ATOM 759 CE MET A 51 0.388 -8.463 3.882 1.00 2.49 C ATOM 0 H MET A 51 2.638 -9.820 -1.030 1.00 0.27 H new ATOM 0 HA MET A 51 -0.209 -9.628 -1.189 1.00 0.31 H new ATOM 0 HB2 MET A 51 2.089 -8.203 0.121 1.00 0.36 H new ATOM 0 HB3 MET A 51 0.621 -7.269 -0.090 1.00 0.36 H new ATOM 0 HG2 MET A 51 -0.421 -9.638 0.874 1.00 0.63 H new ATOM 0 HG3 MET A 51 1.134 -9.617 1.682 1.00 0.63 H new ATOM 0 HE1 MET A 51 0.090 -7.826 4.714 1.00 2.49 H new ATOM 0 HE2 MET A 51 -0.026 -9.461 4.023 1.00 2.49 H new ATOM 0 HE3 MET A 51 1.476 -8.523 3.842 1.00 2.49 H new ATOM 769 N ILE A 52 1.602 -7.389 -2.804 1.00 0.27 N ATOM 770 CA ILE A 52 1.564 -6.413 -3.881 1.00 0.29 C ATOM 771 C ILE A 52 0.966 -7.062 -5.130 1.00 0.27 C ATOM 772 O ILE A 52 0.167 -6.444 -5.833 1.00 0.25 O ATOM 773 CB ILE A 52 2.953 -5.811 -4.106 1.00 0.30 C ATOM 774 CG1 ILE A 52 3.965 -6.893 -4.486 1.00 0.26 C ATOM 775 CG2 ILE A 52 3.405 -5.005 -2.886 1.00 0.36 C ATOM 776 CD1 ILE A 52 3.820 -7.287 -5.957 1.00 0.37 C ATOM 0 H ILE A 52 2.515 -7.503 -2.363 1.00 0.27 H new ATOM 0 HA ILE A 52 0.918 -5.576 -3.615 1.00 0.29 H new ATOM 0 HB ILE A 52 2.893 -5.118 -4.945 1.00 0.30 H new ATOM 0 HG12 ILE A 52 4.976 -6.531 -4.301 1.00 0.26 H new ATOM 0 HG13 ILE A 52 3.820 -7.770 -3.855 1.00 0.26 H new ATOM 0 HG21 ILE A 52 4.395 -4.588 -3.072 1.00 0.36 H new ATOM 0 HG22 ILE A 52 2.699 -4.195 -2.703 1.00 0.36 H new ATOM 0 HG23 ILE A 52 3.444 -5.657 -2.013 1.00 0.36 H new ATOM 0 HD11 ILE A 52 4.551 -8.058 -6.201 1.00 0.37 H new ATOM 0 HD12 ILE A 52 2.815 -7.671 -6.133 1.00 0.37 H new ATOM 0 HD13 ILE A 52 3.990 -6.413 -6.586 1.00 0.37 H new ATOM 788 N ASN A 53 1.374 -8.299 -5.369 1.00 0.30 N ATOM 789 CA ASN A 53 0.888 -9.038 -6.522 1.00 0.32 C ATOM 790 C ASN A 53 -0.602 -9.333 -6.342 1.00 0.31 C ATOM 791 O ASN A 53 -1.346 -9.413 -7.319 1.00 0.33 O ATOM 792 CB ASN A 53 1.620 -10.374 -6.669 1.00 0.39 C ATOM 793 CG ASN A 53 1.085 -11.164 -7.865 1.00 1.04 C ATOM 794 OD1 ASN A 53 0.428 -10.636 -8.747 1.00 1.50 O ATOM 795 ND2 ASN A 53 1.403 -12.455 -7.846 1.00 1.70 N ATOM 0 H ASN A 53 2.036 -8.809 -4.784 1.00 0.30 H new ATOM 0 HA ASN A 53 1.064 -8.431 -7.410 1.00 0.32 H new ATOM 0 HB2 ASN A 53 2.688 -10.196 -6.795 1.00 0.39 H new ATOM 0 HB3 ASN A 53 1.500 -10.961 -5.758 1.00 0.39 H new ATOM 0 HD21 ASN A 53 1.094 -13.068 -8.601 1.00 1.70 H new ATOM 0 HD22 ASN A 53 1.956 -12.833 -7.077 1.00 1.70 H new ATOM 802 N GLU A 54 -0.995 -9.487 -5.086 1.00 0.33 N ATOM 803 CA GLU A 54 -2.383 -9.772 -4.765 1.00 0.38 C ATOM 804 C GLU A 54 -3.251 -8.539 -5.027 1.00 0.37 C ATOM 805 O GLU A 54 -4.200 -8.598 -5.808 1.00 0.42 O ATOM 806 CB GLU A 54 -2.525 -10.245 -3.317 1.00 0.43 C ATOM 807 CG GLU A 54 -3.995 -10.276 -2.892 1.00 0.42 C ATOM 808 CD GLU A 54 -4.259 -11.423 -1.915 1.00 1.34 C ATOM 809 OE1 GLU A 54 -3.853 -12.557 -2.249 1.00 1.93 O ATOM 810 OE2 GLU A 54 -4.861 -11.140 -0.857 1.00 2.73 O ATOM 0 H GLU A 54 -0.376 -9.420 -4.278 1.00 0.33 H new ATOM 0 HA GLU A 54 -2.727 -10.579 -5.411 1.00 0.38 H new ATOM 0 HB2 GLU A 54 -2.091 -11.239 -3.211 1.00 0.43 H new ATOM 0 HB3 GLU A 54 -1.966 -9.581 -2.657 1.00 0.43 H new ATOM 0 HG2 GLU A 54 -4.263 -9.328 -2.426 1.00 0.42 H new ATOM 0 HG3 GLU A 54 -4.629 -10.389 -3.771 1.00 0.42 H new ATOM 817 N VAL A 55 -2.896 -7.452 -4.358 1.00 0.34 N ATOM 818 CA VAL A 55 -3.631 -6.208 -4.509 1.00 0.38 C ATOM 819 C VAL A 55 -3.560 -5.751 -5.967 1.00 0.35 C ATOM 820 O VAL A 55 -4.531 -5.219 -6.503 1.00 0.43 O ATOM 821 CB VAL A 55 -3.096 -5.162 -3.528 1.00 0.40 C ATOM 822 CG1 VAL A 55 -3.021 -5.729 -2.109 1.00 0.45 C ATOM 823 CG2 VAL A 55 -1.734 -4.632 -3.980 1.00 0.36 C ATOM 0 H VAL A 55 -2.109 -7.407 -3.710 1.00 0.34 H new ATOM 0 HA VAL A 55 -4.683 -6.355 -4.266 1.00 0.38 H new ATOM 0 HB VAL A 55 -3.794 -4.325 -3.517 1.00 0.40 H new ATOM 0 HG11 VAL A 55 -2.638 -4.966 -1.432 1.00 0.45 H new ATOM 0 HG12 VAL A 55 -4.016 -6.034 -1.786 1.00 0.45 H new ATOM 0 HG13 VAL A 55 -2.355 -6.592 -2.097 1.00 0.45 H new ATOM 0 HG21 VAL A 55 -1.377 -3.890 -3.265 1.00 0.36 H new ATOM 0 HG22 VAL A 55 -1.023 -5.456 -4.034 1.00 0.36 H new ATOM 0 HG23 VAL A 55 -1.831 -4.171 -4.963 1.00 0.36 H new ATOM 833 N ASP A 56 -2.400 -5.976 -6.568 1.00 0.33 N ATOM 834 CA ASP A 56 -2.189 -5.594 -7.954 1.00 0.32 C ATOM 835 C ASP A 56 -3.304 -6.189 -8.818 1.00 0.33 C ATOM 836 O ASP A 56 -3.356 -7.401 -9.021 1.00 0.41 O ATOM 837 CB ASP A 56 -0.853 -6.126 -8.475 1.00 0.42 C ATOM 838 CG ASP A 56 -0.582 -5.856 -9.956 1.00 0.53 C ATOM 839 OD1 ASP A 56 -0.585 -4.661 -10.324 1.00 0.67 O ATOM 840 OD2 ASP A 56 -0.377 -6.849 -10.686 1.00 0.84 O ATOM 0 H ASP A 56 -1.597 -6.418 -6.120 1.00 0.33 H new ATOM 0 HA ASP A 56 -2.189 -4.505 -8.007 1.00 0.32 H new ATOM 0 HB2 ASP A 56 -0.049 -5.683 -7.887 1.00 0.42 H new ATOM 0 HB3 ASP A 56 -0.817 -7.202 -8.305 1.00 0.42 H new ATOM 845 N ALA A 57 -4.167 -5.309 -9.303 1.00 0.36 N ATOM 846 CA ALA A 57 -5.277 -5.732 -10.139 1.00 0.45 C ATOM 847 C ALA A 57 -4.931 -5.472 -11.607 1.00 0.47 C ATOM 848 O ALA A 57 -4.997 -6.380 -12.434 1.00 0.52 O ATOM 849 CB ALA A 57 -6.551 -5.006 -9.703 1.00 0.55 C ATOM 0 H ALA A 57 -4.120 -4.304 -9.133 1.00 0.36 H new ATOM 0 HA ALA A 57 -5.457 -6.801 -10.026 1.00 0.45 H new ATOM 0 HB1 ALA A 57 -7.384 -5.324 -10.331 1.00 0.55 H new ATOM 0 HB2 ALA A 57 -6.769 -5.246 -8.662 1.00 0.55 H new ATOM 0 HB3 ALA A 57 -6.410 -3.930 -9.805 1.00 0.55 H new ATOM 855 N ASP A 58 -4.570 -4.228 -11.886 1.00 0.49 N ATOM 856 CA ASP A 58 -4.214 -3.838 -13.239 1.00 0.55 C ATOM 857 C ASP A 58 -3.274 -4.886 -13.837 1.00 0.54 C ATOM 858 O ASP A 58 -3.290 -5.122 -15.045 1.00 0.63 O ATOM 859 CB ASP A 58 -3.489 -2.491 -13.251 1.00 0.59 C ATOM 860 CG ASP A 58 -2.141 -2.476 -12.527 1.00 1.12 C ATOM 861 OD1 ASP A 58 -2.052 -3.152 -11.479 1.00 1.46 O ATOM 862 OD2 ASP A 58 -1.230 -1.789 -13.038 1.00 2.68 O ATOM 0 H ASP A 58 -4.517 -3.477 -11.198 1.00 0.49 H new ATOM 0 HA ASP A 58 -5.133 -3.758 -13.820 1.00 0.55 H new ATOM 0 HB2 ASP A 58 -3.332 -2.189 -14.287 1.00 0.59 H new ATOM 0 HB3 ASP A 58 -4.137 -1.742 -12.796 1.00 0.59 H new ATOM 867 N GLY A 59 -2.478 -5.487 -12.965 1.00 0.47 N ATOM 868 CA GLY A 59 -1.533 -6.505 -13.392 1.00 0.51 C ATOM 869 C GLY A 59 -0.178 -5.885 -13.735 1.00 0.52 C ATOM 870 O GLY A 59 -0.036 -5.222 -14.762 1.00 0.73 O ATOM 0 H GLY A 59 -2.468 -5.289 -11.965 1.00 0.47 H new ATOM 0 HA2 GLY A 59 -1.409 -7.245 -12.602 1.00 0.51 H new ATOM 0 HA3 GLY A 59 -1.927 -7.030 -14.262 1.00 0.51 H new ATOM 874 N ASP A 60 0.785 -6.123 -12.857 1.00 0.41 N ATOM 875 CA ASP A 60 2.125 -5.596 -13.054 1.00 0.44 C ATOM 876 C ASP A 60 2.991 -5.951 -11.843 1.00 0.45 C ATOM 877 O ASP A 60 4.089 -6.483 -11.996 1.00 0.63 O ATOM 878 CB ASP A 60 2.103 -4.072 -13.189 1.00 0.48 C ATOM 879 CG ASP A 60 1.652 -3.318 -11.936 1.00 1.08 C ATOM 880 OD1 ASP A 60 2.527 -3.067 -11.079 1.00 2.87 O ATOM 881 OD2 ASP A 60 0.443 -3.010 -11.864 1.00 0.88 O ATOM 0 H ASP A 60 0.664 -6.674 -12.007 1.00 0.41 H new ATOM 0 HA ASP A 60 2.529 -6.033 -13.967 1.00 0.44 H new ATOM 0 HB2 ASP A 60 3.103 -3.732 -13.459 1.00 0.48 H new ATOM 0 HB3 ASP A 60 1.442 -3.805 -14.013 1.00 0.48 H new ATOM 886 N GLY A 61 2.464 -5.642 -10.668 1.00 0.38 N ATOM 887 CA GLY A 61 3.175 -5.921 -9.432 1.00 0.43 C ATOM 888 C GLY A 61 3.515 -4.627 -8.690 1.00 0.56 C ATOM 889 O GLY A 61 4.619 -4.477 -8.169 1.00 1.21 O ATOM 0 H GLY A 61 1.553 -5.201 -10.545 1.00 0.38 H new ATOM 0 HA2 GLY A 61 2.565 -6.561 -8.794 1.00 0.43 H new ATOM 0 HA3 GLY A 61 4.091 -6.470 -9.651 1.00 0.43 H new ATOM 893 N THR A 62 2.545 -3.725 -8.665 1.00 0.44 N ATOM 894 CA THR A 62 2.727 -2.448 -7.995 1.00 0.46 C ATOM 895 C THR A 62 1.450 -2.048 -7.254 1.00 0.37 C ATOM 896 O THR A 62 0.393 -2.640 -7.467 1.00 0.36 O ATOM 897 CB THR A 62 3.168 -1.424 -9.042 1.00 0.63 C ATOM 898 OG1 THR A 62 4.247 -2.063 -9.720 1.00 0.77 O ATOM 899 CG2 THR A 62 3.806 -0.183 -8.415 1.00 0.67 C ATOM 0 H THR A 62 1.630 -3.853 -9.098 1.00 0.44 H new ATOM 0 HA THR A 62 3.503 -2.509 -7.232 1.00 0.46 H new ATOM 0 HB THR A 62 2.308 -1.126 -9.643 1.00 0.63 H new ATOM 0 HG1 THR A 62 3.992 -2.235 -10.651 1.00 0.77 H new ATOM 0 HG21 THR A 62 4.101 0.511 -9.202 1.00 0.67 H new ATOM 0 HG22 THR A 62 3.087 0.301 -7.754 1.00 0.67 H new ATOM 0 HG23 THR A 62 4.685 -0.476 -7.842 1.00 0.67 H new ATOM 907 N ILE A 63 1.590 -1.046 -6.398 1.00 0.46 N ATOM 908 CA ILE A 63 0.461 -0.560 -5.624 1.00 0.41 C ATOM 909 C ILE A 63 0.024 0.802 -6.168 1.00 0.45 C ATOM 910 O ILE A 63 0.753 1.432 -6.933 1.00 0.65 O ATOM 911 CB ILE A 63 0.800 -0.546 -4.132 1.00 0.41 C ATOM 912 CG1 ILE A 63 1.293 -1.919 -3.669 1.00 0.44 C ATOM 913 CG2 ILE A 63 -0.389 -0.055 -3.304 1.00 0.57 C ATOM 914 CD1 ILE A 63 1.009 -2.130 -2.181 1.00 0.62 C ATOM 0 H ILE A 63 2.468 -0.558 -6.224 1.00 0.46 H new ATOM 0 HA ILE A 63 -0.390 -1.233 -5.728 1.00 0.41 H new ATOM 0 HB ILE A 63 1.616 0.159 -3.974 1.00 0.41 H new ATOM 0 HG12 ILE A 63 0.804 -2.700 -4.251 1.00 0.44 H new ATOM 0 HG13 ILE A 63 2.364 -2.007 -3.855 1.00 0.44 H new ATOM 0 HG21 ILE A 63 -0.121 -0.055 -2.247 1.00 0.57 H new ATOM 0 HG22 ILE A 63 -0.653 0.957 -3.612 1.00 0.57 H new ATOM 0 HG23 ILE A 63 -1.241 -0.717 -3.462 1.00 0.57 H new ATOM 0 HD11 ILE A 63 1.369 -3.113 -1.878 1.00 0.62 H new ATOM 0 HD12 ILE A 63 1.520 -1.362 -1.601 1.00 0.62 H new ATOM 0 HD13 ILE A 63 -0.064 -2.066 -2.003 1.00 0.62 H new ATOM 926 N ASP A 64 -1.163 1.217 -5.751 1.00 0.46 N ATOM 927 CA ASP A 64 -1.706 2.492 -6.187 1.00 0.52 C ATOM 928 C ASP A 64 -2.761 2.962 -5.183 1.00 0.53 C ATOM 929 O ASP A 64 -3.060 2.262 -4.218 1.00 0.56 O ATOM 930 CB ASP A 64 -2.378 2.366 -7.555 1.00 0.52 C ATOM 931 CG ASP A 64 -2.533 3.680 -8.323 1.00 1.58 C ATOM 932 OD1 ASP A 64 -1.998 4.695 -7.826 1.00 2.77 O ATOM 933 OD2 ASP A 64 -3.182 3.641 -9.391 1.00 2.41 O ATOM 0 H ASP A 64 -1.764 0.692 -5.115 1.00 0.46 H new ATOM 0 HA ASP A 64 -0.883 3.204 -6.254 1.00 0.52 H new ATOM 0 HB2 ASP A 64 -1.799 1.672 -8.165 1.00 0.52 H new ATOM 0 HB3 ASP A 64 -3.365 1.924 -7.419 1.00 0.52 H new ATOM 938 N PHE A 65 -3.295 4.146 -5.446 1.00 0.60 N ATOM 939 CA PHE A 65 -4.310 4.718 -4.578 1.00 0.66 C ATOM 940 C PHE A 65 -5.551 3.824 -4.521 1.00 0.64 C ATOM 941 O PHE A 65 -6.031 3.491 -3.439 1.00 0.68 O ATOM 942 CB PHE A 65 -4.699 6.071 -5.176 1.00 0.74 C ATOM 943 CG PHE A 65 -4.736 7.213 -4.158 1.00 0.96 C ATOM 944 CD1 PHE A 65 -3.807 7.272 -3.167 1.00 0.40 C ATOM 945 CD2 PHE A 65 -5.699 8.170 -4.244 1.00 2.28 C ATOM 946 CE1 PHE A 65 -3.841 8.332 -2.223 1.00 0.36 C ATOM 947 CE2 PHE A 65 -5.734 9.230 -3.300 1.00 2.51 C ATOM 948 CZ PHE A 65 -4.804 9.288 -2.309 1.00 1.40 C ATOM 0 H PHE A 65 -3.044 4.724 -6.248 1.00 0.60 H new ATOM 0 HA PHE A 65 -3.920 4.817 -3.565 1.00 0.66 H new ATOM 0 HB2 PHE A 65 -3.992 6.325 -5.966 1.00 0.74 H new ATOM 0 HB3 PHE A 65 -5.680 5.982 -5.643 1.00 0.74 H new ATOM 0 HD1 PHE A 65 -3.043 6.512 -3.098 1.00 0.40 H new ATOM 0 HD2 PHE A 65 -6.437 8.123 -5.031 1.00 2.28 H new ATOM 0 HE1 PHE A 65 -3.102 8.379 -1.437 1.00 0.36 H new ATOM 0 HE2 PHE A 65 -6.499 9.990 -3.369 1.00 2.51 H new ATOM 0 HZ PHE A 65 -4.831 10.094 -1.590 1.00 1.40 H new ATOM 958 N PRO A 66 -6.046 3.450 -5.731 1.00 0.61 N ATOM 959 CA PRO A 66 -7.221 2.601 -5.829 1.00 0.64 C ATOM 960 C PRO A 66 -6.879 1.150 -5.483 1.00 0.61 C ATOM 961 O PRO A 66 -7.732 0.406 -5.000 1.00 0.79 O ATOM 962 CB PRO A 66 -7.711 2.771 -7.258 1.00 0.66 C ATOM 963 CG PRO A 66 -6.535 3.339 -8.037 1.00 0.60 C ATOM 964 CD PRO A 66 -5.502 3.825 -7.033 1.00 0.58 C ATOM 0 HA PRO A 66 -8.000 2.878 -5.119 1.00 0.64 H new ATOM 0 HB2 PRO A 66 -8.033 1.817 -7.677 1.00 0.66 H new ATOM 0 HB3 PRO A 66 -8.568 3.443 -7.300 1.00 0.66 H new ATOM 0 HG2 PRO A 66 -6.105 2.578 -8.689 1.00 0.60 H new ATOM 0 HG3 PRO A 66 -6.861 4.159 -8.677 1.00 0.60 H new ATOM 0 HD2 PRO A 66 -4.532 3.359 -7.206 1.00 0.58 H new ATOM 0 HD3 PRO A 66 -5.356 4.903 -7.106 1.00 0.58 H new ATOM 972 N GLU A 67 -5.630 0.792 -5.743 1.00 0.44 N ATOM 973 CA GLU A 67 -5.166 -0.557 -5.464 1.00 0.41 C ATOM 974 C GLU A 67 -5.041 -0.774 -3.955 1.00 0.42 C ATOM 975 O GLU A 67 -5.693 -1.654 -3.395 1.00 0.50 O ATOM 976 CB GLU A 67 -3.837 -0.835 -6.170 1.00 0.38 C ATOM 977 CG GLU A 67 -4.066 -1.275 -7.617 1.00 0.39 C ATOM 978 CD GLU A 67 -2.745 -1.643 -8.294 1.00 0.37 C ATOM 979 OE1 GLU A 67 -1.769 -0.891 -8.081 1.00 1.50 O ATOM 980 OE2 GLU A 67 -2.740 -2.667 -9.011 1.00 1.53 O ATOM 0 H GLU A 67 -4.926 1.412 -6.143 1.00 0.44 H new ATOM 0 HA GLU A 67 -5.901 -1.262 -5.852 1.00 0.41 H new ATOM 0 HB2 GLU A 67 -3.217 0.062 -6.153 1.00 0.38 H new ATOM 0 HB3 GLU A 67 -3.291 -1.610 -5.633 1.00 0.38 H new ATOM 0 HG2 GLU A 67 -4.740 -2.131 -7.638 1.00 0.39 H new ATOM 0 HG3 GLU A 67 -4.552 -0.473 -8.172 1.00 0.39 H new ATOM 987 N PHE A 68 -4.200 0.043 -3.339 1.00 0.38 N ATOM 988 CA PHE A 68 -3.981 -0.049 -1.905 1.00 0.40 C ATOM 989 C PHE A 68 -5.286 0.169 -1.137 1.00 0.41 C ATOM 990 O PHE A 68 -5.537 -0.493 -0.131 1.00 0.41 O ATOM 991 CB PHE A 68 -2.992 1.057 -1.532 1.00 0.40 C ATOM 992 CG PHE A 68 -2.055 0.690 -0.380 1.00 0.61 C ATOM 993 CD1 PHE A 68 -1.510 -0.555 -0.316 1.00 1.35 C ATOM 994 CD2 PHE A 68 -1.766 1.609 0.581 1.00 0.40 C ATOM 995 CE1 PHE A 68 -0.640 -0.895 0.753 1.00 1.68 C ATOM 996 CE2 PHE A 68 -0.895 1.268 1.650 1.00 0.55 C ATOM 997 CZ PHE A 68 -0.351 0.023 1.713 1.00 1.22 C ATOM 0 H PHE A 68 -3.662 0.772 -3.807 1.00 0.38 H new ATOM 0 HA PHE A 68 -3.601 -1.038 -1.649 1.00 0.40 H new ATOM 0 HB2 PHE A 68 -2.394 1.306 -2.408 1.00 0.40 H new ATOM 0 HB3 PHE A 68 -3.550 1.953 -1.262 1.00 0.40 H new ATOM 0 HD1 PHE A 68 -1.739 -1.285 -1.079 1.00 1.35 H new ATOM 0 HD2 PHE A 68 -2.199 2.597 0.531 1.00 0.40 H new ATOM 0 HE1 PHE A 68 -0.208 -1.883 0.804 1.00 1.68 H new ATOM 0 HE2 PHE A 68 -0.665 1.997 2.413 1.00 0.55 H new ATOM 0 HZ PHE A 68 0.311 -0.236 2.526 1.00 1.22 H new ATOM 1007 N LEU A 69 -6.084 1.100 -1.640 1.00 0.48 N ATOM 1008 CA LEU A 69 -7.357 1.413 -1.014 1.00 0.52 C ATOM 1009 C LEU A 69 -8.049 0.114 -0.597 1.00 0.40 C ATOM 1010 O LEU A 69 -8.443 -0.041 0.557 1.00 0.37 O ATOM 1011 CB LEU A 69 -8.204 2.294 -1.934 1.00 0.72 C ATOM 1012 CG LEU A 69 -9.679 1.908 -2.060 1.00 1.35 C ATOM 1013 CD1 LEU A 69 -10.379 1.966 -0.701 1.00 1.87 C ATOM 1014 CD2 LEU A 69 -10.385 2.774 -3.106 1.00 1.92 C ATOM 0 H LEU A 69 -5.873 1.648 -2.474 1.00 0.48 H new ATOM 0 HA LEU A 69 -7.202 1.997 -0.107 1.00 0.52 H new ATOM 0 HB2 LEU A 69 -8.147 3.321 -1.574 1.00 0.72 H new ATOM 0 HB3 LEU A 69 -7.759 2.280 -2.929 1.00 0.72 H new ATOM 0 HG LEU A 69 -9.734 0.876 -2.406 1.00 1.35 H new ATOM 0 HD11 LEU A 69 -11.426 1.687 -0.819 1.00 1.87 H new ATOM 0 HD12 LEU A 69 -9.894 1.274 -0.012 1.00 1.87 H new ATOM 0 HD13 LEU A 69 -10.316 2.978 -0.302 1.00 1.87 H new ATOM 0 HD21 LEU A 69 -11.432 2.479 -3.176 1.00 1.92 H new ATOM 0 HD22 LEU A 69 -10.322 3.822 -2.813 1.00 1.92 H new ATOM 0 HD23 LEU A 69 -9.904 2.638 -4.075 1.00 1.92 H new ATOM 1026 N THR A 70 -8.176 -0.787 -1.561 1.00 0.47 N ATOM 1027 CA THR A 70 -8.813 -2.068 -1.309 1.00 0.51 C ATOM 1028 C THR A 70 -7.977 -2.897 -0.332 1.00 0.42 C ATOM 1029 O THR A 70 -8.498 -3.410 0.657 1.00 0.55 O ATOM 1030 CB THR A 70 -9.037 -2.758 -2.656 1.00 0.71 C ATOM 1031 OG1 THR A 70 -10.109 -2.027 -3.246 1.00 0.82 O ATOM 1032 CG2 THR A 70 -9.592 -4.175 -2.502 1.00 0.84 C ATOM 0 H THR A 70 -7.848 -0.655 -2.518 1.00 0.47 H new ATOM 0 HA THR A 70 -9.783 -1.940 -0.829 1.00 0.51 H new ATOM 0 HB THR A 70 -8.097 -2.794 -3.207 1.00 0.71 H new ATOM 0 HG1 THR A 70 -10.319 -2.406 -4.125 1.00 0.82 H new ATOM 0 HG21 THR A 70 -9.733 -4.620 -3.487 1.00 0.84 H new ATOM 0 HG22 THR A 70 -8.891 -4.780 -1.927 1.00 0.84 H new ATOM 0 HG23 THR A 70 -10.549 -4.136 -1.981 1.00 0.84 H new ATOM 1040 N MET A 71 -6.693 -3.003 -0.645 1.00 0.41 N ATOM 1041 CA MET A 71 -5.779 -3.761 0.193 1.00 0.41 C ATOM 1042 C MET A 71 -6.098 -3.558 1.675 1.00 0.43 C ATOM 1043 O MET A 71 -6.415 -4.513 2.382 1.00 0.51 O ATOM 1044 CB MET A 71 -4.342 -3.316 -0.087 1.00 0.45 C ATOM 1045 CG MET A 71 -3.340 -4.205 0.652 1.00 0.58 C ATOM 1046 SD MET A 71 -2.836 -3.422 2.175 1.00 2.05 S ATOM 1047 CE MET A 71 -1.089 -3.785 2.148 1.00 2.38 C ATOM 0 H MET A 71 -6.265 -2.577 -1.467 1.00 0.41 H new ATOM 0 HA MET A 71 -5.893 -4.819 -0.041 1.00 0.41 H new ATOM 0 HB2 MET A 71 -4.147 -3.355 -1.159 1.00 0.45 H new ATOM 0 HB3 MET A 71 -4.211 -2.279 0.223 1.00 0.45 H new ATOM 0 HG2 MET A 71 -3.789 -5.175 0.864 1.00 0.58 H new ATOM 0 HG3 MET A 71 -2.469 -4.387 0.022 1.00 0.58 H new ATOM 0 HE1 MET A 71 -0.546 -3.002 2.677 1.00 2.38 H new ATOM 0 HE2 MET A 71 -0.909 -4.744 2.635 1.00 2.38 H new ATOM 0 HE3 MET A 71 -0.743 -3.832 1.115 1.00 2.38 H new ATOM 1057 N MET A 72 -6.001 -2.308 2.103 1.00 0.41 N ATOM 1058 CA MET A 72 -6.275 -1.967 3.489 1.00 0.47 C ATOM 1059 C MET A 72 -7.714 -2.323 3.867 1.00 0.48 C ATOM 1060 O MET A 72 -7.942 -3.127 4.770 1.00 0.58 O ATOM 1061 CB MET A 72 -6.047 -0.469 3.701 1.00 0.49 C ATOM 1062 CG MET A 72 -5.789 -0.158 5.177 1.00 1.28 C ATOM 1063 SD MET A 72 -4.113 -0.592 5.609 1.00 2.47 S ATOM 1064 CE MET A 72 -4.304 -0.860 7.363 1.00 2.83 C ATOM 0 H MET A 72 -5.736 -1.518 1.514 1.00 0.41 H new ATOM 0 HA MET A 72 -5.600 -2.540 4.125 1.00 0.47 H new ATOM 0 HB2 MET A 72 -5.199 -0.138 3.102 1.00 0.49 H new ATOM 0 HB3 MET A 72 -6.918 0.088 3.355 1.00 0.49 H new ATOM 0 HG2 MET A 72 -5.960 0.901 5.369 1.00 1.28 H new ATOM 0 HG3 MET A 72 -6.489 -0.712 5.802 1.00 1.28 H new ATOM 0 HE1 MET A 72 -3.343 -1.141 7.795 1.00 2.83 H new ATOM 0 HE2 MET A 72 -4.660 0.056 7.834 1.00 2.83 H new ATOM 0 HE3 MET A 72 -5.026 -1.659 7.533 1.00 2.83 H new ATOM 1074 N ALA A 73 -8.648 -1.708 3.157 1.00 0.42 N ATOM 1075 CA ALA A 73 -10.059 -1.950 3.407 1.00 0.49 C ATOM 1076 C ALA A 73 -10.279 -3.443 3.658 1.00 0.57 C ATOM 1077 O ALA A 73 -10.783 -3.831 4.711 1.00 0.67 O ATOM 1078 CB ALA A 73 -10.883 -1.430 2.227 1.00 0.49 C ATOM 0 H ALA A 73 -8.456 -1.042 2.408 1.00 0.42 H new ATOM 0 HA ALA A 73 -10.389 -1.414 4.297 1.00 0.49 H new ATOM 0 HB1 ALA A 73 -11.941 -1.611 2.414 1.00 0.49 H new ATOM 0 HB2 ALA A 73 -10.714 -0.360 2.109 1.00 0.49 H new ATOM 0 HB3 ALA A 73 -10.582 -1.948 1.316 1.00 0.49 H new ATOM 1084 N ARG A 74 -9.891 -4.240 2.674 1.00 0.56 N ATOM 1085 CA ARG A 74 -10.039 -5.682 2.775 1.00 0.67 C ATOM 1086 C ARG A 74 -9.242 -6.215 3.968 1.00 0.70 C ATOM 1087 O ARG A 74 -9.651 -7.180 4.611 1.00 0.84 O ATOM 1088 CB ARG A 74 -9.560 -6.376 1.499 1.00 0.68 C ATOM 1089 CG ARG A 74 -10.554 -6.165 0.354 1.00 0.77 C ATOM 1090 CD ARG A 74 -11.812 -7.011 0.558 1.00 1.36 C ATOM 1091 NE ARG A 74 -12.866 -6.588 -0.391 1.00 2.10 N ATOM 1092 CZ ARG A 74 -14.143 -6.987 -0.323 1.00 3.33 C ATOM 1093 NH1 ARG A 74 -14.533 -7.822 0.649 1.00 4.21 N ATOM 1094 NH2 ARG A 74 -15.030 -6.552 -1.228 1.00 4.20 N ATOM 0 H ARG A 74 -9.474 -3.914 1.802 1.00 0.56 H new ATOM 0 HA ARG A 74 -11.098 -5.897 2.916 1.00 0.67 H new ATOM 0 HB2 ARG A 74 -8.583 -5.986 1.214 1.00 0.68 H new ATOM 0 HB3 ARG A 74 -9.436 -7.443 1.686 1.00 0.68 H new ATOM 0 HG2 ARG A 74 -10.826 -5.111 0.293 1.00 0.77 H new ATOM 0 HG3 ARG A 74 -10.084 -6.428 -0.594 1.00 0.77 H new ATOM 0 HD2 ARG A 74 -11.579 -8.065 0.409 1.00 1.36 H new ATOM 0 HD3 ARG A 74 -12.169 -6.905 1.582 1.00 1.36 H new ATOM 0 HE ARG A 74 -12.603 -5.953 -1.144 1.00 2.10 H new ATOM 0 HH11 ARG A 74 -13.858 -8.154 1.337 1.00 4.21 H new ATOM 0 HH12 ARG A 74 -15.505 -8.126 0.701 1.00 4.21 H new ATOM 0 HH21 ARG A 74 -14.733 -5.917 -1.969 1.00 4.20 H new ATOM 0 HH22 ARG A 74 -16.002 -6.856 -1.176 1.00 4.20 H new ATOM 1108 N LYS A 75 -8.118 -5.563 4.226 1.00 0.62 N ATOM 1109 CA LYS A 75 -7.260 -5.959 5.330 1.00 0.70 C ATOM 1110 C LYS A 75 -8.113 -6.176 6.581 1.00 0.79 C ATOM 1111 O LYS A 75 -8.126 -7.268 7.146 1.00 0.93 O ATOM 1112 CB LYS A 75 -6.132 -4.944 5.523 1.00 0.71 C ATOM 1113 CG LYS A 75 -4.880 -5.616 6.089 1.00 0.81 C ATOM 1114 CD LYS A 75 -4.129 -6.385 5.000 1.00 1.54 C ATOM 1115 CE LYS A 75 -4.211 -7.894 5.239 1.00 1.71 C ATOM 1116 NZ LYS A 75 -3.052 -8.579 4.624 1.00 2.67 N ATOM 0 H LYS A 75 -7.781 -4.763 3.690 1.00 0.62 H new ATOM 0 HA LYS A 75 -6.770 -6.907 5.110 1.00 0.70 H new ATOM 0 HB2 LYS A 75 -5.896 -4.472 4.569 1.00 0.71 H new ATOM 0 HB3 LYS A 75 -6.461 -4.153 6.197 1.00 0.71 H new ATOM 0 HG2 LYS A 75 -4.224 -4.862 6.525 1.00 0.81 H new ATOM 0 HG3 LYS A 75 -5.160 -6.297 6.892 1.00 0.81 H new ATOM 0 HD2 LYS A 75 -4.550 -6.144 4.024 1.00 1.54 H new ATOM 0 HD3 LYS A 75 -3.085 -6.072 4.983 1.00 1.54 H new ATOM 0 HE2 LYS A 75 -4.236 -8.098 6.309 1.00 1.71 H new ATOM 0 HE3 LYS A 75 -5.137 -8.285 4.819 1.00 1.71 H new ATOM 0 HZ1 LYS A 75 -3.123 -9.602 4.795 1.00 2.67 H new ATOM 0 HZ2 LYS A 75 -3.046 -8.399 3.600 1.00 2.67 H new ATOM 0 HZ3 LYS A 75 -2.172 -8.218 5.044 1.00 2.67 H new ATOM 1130 N MET A 76 -8.805 -5.118 6.977 1.00 0.77 N ATOM 1131 CA MET A 76 -9.659 -5.178 8.151 1.00 0.90 C ATOM 1132 C MET A 76 -10.642 -6.347 8.055 1.00 1.07 C ATOM 1133 O MET A 76 -10.865 -7.058 9.034 1.00 1.32 O ATOM 1134 CB MET A 76 -10.436 -3.867 8.286 1.00 0.99 C ATOM 1135 CG MET A 76 -9.728 -2.907 9.244 1.00 1.91 C ATOM 1136 SD MET A 76 -10.907 -2.203 10.384 1.00 2.40 S ATOM 1137 CE MET A 76 -11.070 -3.556 11.537 1.00 3.86 C ATOM 0 H MET A 76 -8.792 -4.214 6.505 1.00 0.77 H new ATOM 0 HA MET A 76 -9.029 -5.328 9.028 1.00 0.90 H new ATOM 0 HB2 MET A 76 -10.540 -3.399 7.307 1.00 0.99 H new ATOM 0 HB3 MET A 76 -11.443 -4.072 8.649 1.00 0.99 H new ATOM 0 HG2 MET A 76 -8.950 -3.437 9.794 1.00 1.91 H new ATOM 0 HG3 MET A 76 -9.237 -2.114 8.680 1.00 1.91 H new ATOM 0 HE1 MET A 76 -11.776 -3.283 12.321 1.00 3.86 H new ATOM 0 HE2 MET A 76 -11.434 -4.439 11.012 1.00 3.86 H new ATOM 0 HE3 MET A 76 -10.099 -3.773 11.982 1.00 3.86 H new ATOM 1147 N LYS A 77 -11.203 -6.510 6.865 1.00 1.02 N ATOM 1148 CA LYS A 77 -12.157 -7.580 6.628 1.00 1.22 C ATOM 1149 C LYS A 77 -11.474 -8.928 6.868 1.00 1.34 C ATOM 1150 O LYS A 77 -11.898 -9.699 7.727 1.00 1.65 O ATOM 1151 CB LYS A 77 -12.779 -7.444 5.237 1.00 1.17 C ATOM 1152 CG LYS A 77 -14.290 -7.222 5.331 1.00 1.24 C ATOM 1153 CD LYS A 77 -14.768 -6.244 4.257 1.00 1.54 C ATOM 1154 CE LYS A 77 -15.247 -4.933 4.884 1.00 2.38 C ATOM 1155 NZ LYS A 77 -16.517 -4.494 4.263 1.00 2.99 N ATOM 0 H LYS A 77 -11.015 -5.919 6.055 1.00 1.02 H new ATOM 0 HA LYS A 77 -12.987 -7.514 7.331 1.00 1.22 H new ATOM 0 HB2 LYS A 77 -12.318 -6.610 4.708 1.00 1.17 H new ATOM 0 HB3 LYS A 77 -12.575 -8.342 4.654 1.00 1.17 H new ATOM 0 HG2 LYS A 77 -14.809 -8.174 5.218 1.00 1.24 H new ATOM 0 HG3 LYS A 77 -14.544 -6.836 6.318 1.00 1.24 H new ATOM 0 HD2 LYS A 77 -13.957 -6.042 3.557 1.00 1.54 H new ATOM 0 HD3 LYS A 77 -15.578 -6.695 3.684 1.00 1.54 H new ATOM 0 HE2 LYS A 77 -15.387 -5.066 5.957 1.00 2.38 H new ATOM 0 HE3 LYS A 77 -14.487 -4.162 4.755 1.00 2.38 H new ATOM 0 HZ1 LYS A 77 -16.828 -3.603 4.700 1.00 2.99 H new ATOM 0 HZ2 LYS A 77 -16.372 -4.347 3.244 1.00 2.99 H new ATOM 0 HZ3 LYS A 77 -17.245 -5.223 4.408 1.00 2.99 H new ATOM 1169 N ASP A 78 -10.428 -9.172 6.092 1.00 1.23 N ATOM 1170 CA ASP A 78 -9.682 -10.413 6.209 1.00 1.51 C ATOM 1171 C ASP A 78 -9.478 -10.743 7.689 1.00 1.70 C ATOM 1172 O ASP A 78 -9.934 -11.781 8.166 1.00 2.02 O ATOM 1173 CB ASP A 78 -8.304 -10.292 5.557 1.00 1.53 C ATOM 1174 CG ASP A 78 -7.611 -11.622 5.256 1.00 2.00 C ATOM 1175 OD1 ASP A 78 -7.338 -12.353 6.233 1.00 2.84 O ATOM 1176 OD2 ASP A 78 -7.370 -11.879 4.057 1.00 2.51 O ATOM 0 H ASP A 78 -10.080 -8.531 5.379 1.00 1.23 H new ATOM 0 HA ASP A 78 -10.250 -11.196 5.707 1.00 1.51 H new ATOM 0 HB2 ASP A 78 -8.407 -9.735 4.626 1.00 1.53 H new ATOM 0 HB3 ASP A 78 -7.660 -9.704 6.211 1.00 1.53 H new ATOM 1181 N THR A 79 -8.792 -9.840 8.374 1.00 1.55 N ATOM 1182 CA THR A 79 -8.521 -10.021 9.790 1.00 1.75 C ATOM 1183 C THR A 79 -9.831 -10.109 10.576 1.00 1.95 C ATOM 1184 O THR A 79 -9.930 -10.864 11.543 1.00 2.30 O ATOM 1185 CB THR A 79 -7.613 -8.879 10.248 1.00 1.58 C ATOM 1186 OG1 THR A 79 -7.297 -9.206 11.599 1.00 2.19 O ATOM 1187 CG2 THR A 79 -8.356 -7.545 10.352 1.00 1.54 C ATOM 0 H THR A 79 -8.416 -8.980 7.974 1.00 1.55 H new ATOM 0 HA THR A 79 -8.002 -10.961 9.976 1.00 1.75 H new ATOM 0 HB THR A 79 -6.780 -8.777 9.552 1.00 1.58 H new ATOM 0 HG1 THR A 79 -6.709 -8.517 11.973 1.00 2.19 H new ATOM 0 HG21 THR A 79 -7.665 -6.769 10.681 1.00 1.54 H new ATOM 0 HG22 THR A 79 -8.764 -7.279 9.377 1.00 1.54 H new ATOM 0 HG23 THR A 79 -9.169 -7.636 11.072 1.00 1.54 H new TER 1195 THR A 79 HETATM 1196 CA CA A 80 7.518 5.488 -5.926 1.00 0.68 CA HETATM 1197 CA CA A 81 0.079 -2.595 -9.740 1.00 0.67 CA