USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 584 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 3 MET CE :methyl 143:sc= -1.76! (180deg=-4.16!) USER MOD Set 1.2: A 23 ASN : amide:sc= -0.0856 X(o=-1.8,f=-1.8) USER MOD Single : A 1 MET CE :methyl -171:sc= 0 (180deg=-0.12) USER MOD Single : A 1 MET N :NH3+ 165:sc= 1.26 (180deg=1.24) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0313 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -165:sc= 0.875 (180deg=0.397) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.949 K(o=-0.95,f=-2.9!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -5.21! C(o=-5.2!,f=-6.2!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -5.14! C(o=-5.1!,f=-13!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.135 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -2.02! C(o=-2!,f=-6.1!) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 36:sc= -0.613! USER MOD Single : A 60 TYR OH : rot 82:sc= 1.25 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.14) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc=-0.00175 X(o=-0.0017,f=-0.0017) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.449 -3.837 -5.192 1.00 0.00 N ATOM 2 CA MET A 1 -13.931 -3.702 -3.802 1.00 0.00 C ATOM 3 C MET A 1 -12.820 -3.151 -2.918 1.00 0.00 C ATOM 4 O MET A 1 -11.651 -3.507 -3.085 1.00 0.00 O ATOM 5 CB MET A 1 -14.417 -5.053 -3.257 1.00 0.00 C ATOM 6 CG MET A 1 -13.316 -6.091 -3.089 1.00 0.00 C ATOM 7 SD MET A 1 -13.926 -7.639 -2.389 1.00 0.00 S ATOM 8 CE MET A 1 -12.408 -8.585 -2.286 1.00 0.00 C ATOM 0 H1 MET A 1 -14.105 -4.438 -5.730 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.398 -2.897 -5.635 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.504 -4.271 -5.191 1.00 0.00 H new ATOM 0 HA MET A 1 -14.772 -3.009 -3.796 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.898 -4.891 -2.293 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.177 -5.451 -3.930 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.858 -6.290 -4.058 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.536 -5.687 -2.444 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.640 -9.617 -2.024 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.898 -8.561 -3.249 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.761 -8.153 -1.522 1.00 0.00 H new ATOM 20 N ALA A 2 -13.186 -2.276 -1.994 1.00 0.00 N ATOM 21 CA ALA A 2 -12.221 -1.675 -1.088 1.00 0.00 C ATOM 22 C ALA A 2 -11.753 -2.684 -0.050 1.00 0.00 C ATOM 23 O ALA A 2 -12.550 -3.217 0.724 1.00 0.00 O ATOM 24 CB ALA A 2 -12.819 -0.455 -0.408 1.00 0.00 C ATOM 0 H ALA A 2 -14.147 -1.966 -1.852 1.00 0.00 H new ATOM 0 HA ALA A 2 -11.357 -1.359 -1.672 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -12.083 -0.017 0.267 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -13.102 0.280 -1.162 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.701 -0.751 0.160 1.00 0.00 H new ATOM 30 N MET A 3 -10.464 -2.952 -0.055 1.00 0.00 N ATOM 31 CA MET A 3 -9.857 -3.878 0.884 1.00 0.00 C ATOM 32 C MET A 3 -8.891 -3.128 1.785 1.00 0.00 C ATOM 33 O MET A 3 -8.363 -2.085 1.400 1.00 0.00 O ATOM 34 CB MET A 3 -9.120 -4.980 0.127 1.00 0.00 C ATOM 35 CG MET A 3 -10.033 -5.847 -0.726 1.00 0.00 C ATOM 36 SD MET A 3 -9.137 -6.823 -1.953 1.00 0.00 S ATOM 37 CE MET A 3 -7.915 -7.629 -0.929 1.00 0.00 C ATOM 0 H MET A 3 -9.804 -2.534 -0.711 1.00 0.00 H new ATOM 0 HA MET A 3 -10.636 -4.334 1.495 1.00 0.00 H new ATOM 0 HB2 MET A 3 -8.362 -4.526 -0.512 1.00 0.00 H new ATOM 0 HB3 MET A 3 -8.596 -5.613 0.843 1.00 0.00 H new ATOM 0 HG2 MET A 3 -10.597 -6.518 -0.078 1.00 0.00 H new ATOM 0 HG3 MET A 3 -10.758 -5.211 -1.235 1.00 0.00 H new ATOM 0 HE1 MET A 3 -7.750 -8.644 -1.290 1.00 0.00 H new ATOM 0 HE2 MET A 3 -6.979 -7.072 -0.973 1.00 0.00 H new ATOM 0 HE3 MET A 3 -8.269 -7.663 0.101 1.00 0.00 H new ATOM 47 N ASN A 4 -8.660 -3.648 2.977 1.00 0.00 N ATOM 48 CA ASN A 4 -7.788 -2.986 3.927 1.00 0.00 C ATOM 49 C ASN A 4 -6.590 -3.859 4.256 1.00 0.00 C ATOM 50 O ASN A 4 -6.709 -5.077 4.399 1.00 0.00 O ATOM 51 CB ASN A 4 -8.553 -2.629 5.202 1.00 0.00 C ATOM 52 CG ASN A 4 -9.067 -3.844 5.957 1.00 0.00 C ATOM 53 OD1 ASN A 4 -8.405 -4.349 6.865 1.00 0.00 O ATOM 54 ND2 ASN A 4 -10.254 -4.319 5.595 1.00 0.00 N ATOM 0 H ASN A 4 -9.063 -4.524 3.308 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.427 -2.064 3.471 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.902 -2.051 5.858 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -9.396 -1.987 4.944 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -10.647 -5.129 6.074 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -10.772 -3.873 4.838 1.00 0.00 H new ATOM 61 N GLY A 5 -5.440 -3.223 4.364 1.00 0.00 N ATOM 62 CA GLY A 5 -4.217 -3.934 4.668 1.00 0.00 C ATOM 63 C GLY A 5 -3.274 -3.100 5.507 1.00 0.00 C ATOM 64 O GLY A 5 -3.557 -1.937 5.793 1.00 0.00 O ATOM 0 H GLY A 5 -5.328 -2.216 4.246 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.455 -4.856 5.198 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.722 -4.218 3.740 1.00 0.00 H new ATOM 68 N THR A 6 -2.152 -3.683 5.901 1.00 0.00 N ATOM 69 CA THR A 6 -1.179 -2.978 6.722 1.00 0.00 C ATOM 70 C THR A 6 0.144 -2.817 5.976 1.00 0.00 C ATOM 71 O THR A 6 0.590 -3.730 5.278 1.00 0.00 O ATOM 72 CB THR A 6 -0.930 -3.724 8.046 1.00 0.00 C ATOM 73 OG1 THR A 6 -2.180 -4.141 8.610 1.00 0.00 O ATOM 74 CG2 THR A 6 -0.199 -2.840 9.046 1.00 0.00 C ATOM 0 H THR A 6 -1.893 -4.641 5.666 1.00 0.00 H new ATOM 0 HA THR A 6 -1.589 -1.992 6.942 1.00 0.00 H new ATOM 0 HB THR A 6 -0.309 -4.594 7.832 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.017 -4.617 9.451 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.037 -3.394 9.971 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.763 -2.539 8.630 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.798 -1.953 9.254 1.00 0.00 H new ATOM 82 N ILE A 7 0.759 -1.655 6.127 1.00 0.00 N ATOM 83 CA ILE A 7 2.030 -1.365 5.469 1.00 0.00 C ATOM 84 C ILE A 7 3.177 -2.016 6.231 1.00 0.00 C ATOM 85 O ILE A 7 3.428 -1.680 7.391 1.00 0.00 O ATOM 86 CB ILE A 7 2.288 0.156 5.378 1.00 0.00 C ATOM 87 CG1 ILE A 7 1.114 0.860 4.691 1.00 0.00 C ATOM 88 CG2 ILE A 7 3.587 0.434 4.631 1.00 0.00 C ATOM 89 CD1 ILE A 7 1.281 2.361 4.581 1.00 0.00 C ATOM 0 H ILE A 7 0.400 -0.892 6.701 1.00 0.00 H new ATOM 0 HA ILE A 7 1.974 -1.771 4.459 1.00 0.00 H new ATOM 0 HB ILE A 7 2.381 0.550 6.390 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.987 0.444 3.692 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.200 0.645 5.244 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.752 1.510 4.577 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.418 -0.035 5.159 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.521 0.026 3.623 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.410 2.788 4.084 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.377 2.791 5.578 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.176 2.586 4.002 1.00 0.00 H new ATOM 101 N THR A 8 3.868 -2.947 5.588 1.00 0.00 N ATOM 102 CA THR A 8 4.954 -3.655 6.231 1.00 0.00 C ATOM 103 C THR A 8 6.302 -3.225 5.663 1.00 0.00 C ATOM 104 O THR A 8 7.135 -2.650 6.366 1.00 0.00 O ATOM 105 CB THR A 8 4.781 -5.175 6.069 1.00 0.00 C ATOM 106 OG1 THR A 8 4.467 -5.492 4.705 1.00 0.00 O ATOM 107 CG2 THR A 8 3.683 -5.696 6.983 1.00 0.00 C ATOM 0 H THR A 8 3.692 -3.226 4.623 1.00 0.00 H new ATOM 0 HA THR A 8 4.930 -3.406 7.292 1.00 0.00 H new ATOM 0 HB THR A 8 5.719 -5.656 6.345 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.360 -6.462 4.611 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.580 -6.773 6.850 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.941 -5.481 8.020 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.741 -5.208 6.735 1.00 0.00 H new ATOM 115 N THR A 9 6.501 -3.489 4.381 1.00 0.00 N ATOM 116 CA THR A 9 7.748 -3.160 3.720 1.00 0.00 C ATOM 117 C THR A 9 7.580 -1.905 2.867 1.00 0.00 C ATOM 118 O THR A 9 6.651 -1.813 2.067 1.00 0.00 O ATOM 119 CB THR A 9 8.227 -4.338 2.846 1.00 0.00 C ATOM 120 OG1 THR A 9 8.355 -5.517 3.656 1.00 0.00 O ATOM 121 CG2 THR A 9 9.562 -4.027 2.183 1.00 0.00 C ATOM 0 H THR A 9 5.809 -3.933 3.777 1.00 0.00 H new ATOM 0 HA THR A 9 8.502 -2.968 4.484 1.00 0.00 H new ATOM 0 HB THR A 9 7.488 -4.503 2.062 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.658 -6.265 3.100 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.873 -4.876 1.574 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.457 -3.146 1.550 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.313 -3.836 2.949 1.00 0.00 H new ATOM 129 N TRP A 10 8.472 -0.944 3.045 1.00 0.00 N ATOM 130 CA TRP A 10 8.366 0.336 2.359 1.00 0.00 C ATOM 131 C TRP A 10 9.750 0.902 2.053 1.00 0.00 C ATOM 132 O TRP A 10 10.646 0.867 2.901 1.00 0.00 O ATOM 133 CB TRP A 10 7.559 1.321 3.216 1.00 0.00 C ATOM 134 CG TRP A 10 7.603 2.738 2.731 1.00 0.00 C ATOM 135 CD1 TRP A 10 8.227 3.787 3.342 1.00 0.00 C ATOM 136 CD2 TRP A 10 7.008 3.264 1.539 1.00 0.00 C ATOM 137 NE1 TRP A 10 8.053 4.933 2.609 1.00 0.00 N ATOM 138 CE2 TRP A 10 7.310 4.639 1.497 1.00 0.00 C ATOM 139 CE3 TRP A 10 6.248 2.710 0.505 1.00 0.00 C ATOM 140 CZ2 TRP A 10 6.880 5.466 0.461 1.00 0.00 C ATOM 141 CZ3 TRP A 10 5.822 3.532 -0.523 1.00 0.00 C ATOM 142 CH2 TRP A 10 6.140 4.896 -0.539 1.00 0.00 C ATOM 0 H TRP A 10 9.281 -1.026 3.661 1.00 0.00 H new ATOM 0 HA TRP A 10 7.848 0.184 1.412 1.00 0.00 H new ATOM 0 HB2 TRP A 10 6.520 0.992 3.247 1.00 0.00 H new ATOM 0 HB3 TRP A 10 7.935 1.287 4.239 1.00 0.00 H new ATOM 0 HD1 TRP A 10 8.778 3.724 4.269 1.00 0.00 H new ATOM 0 HE1 TRP A 10 8.418 5.854 2.852 1.00 0.00 H new ATOM 0 HE3 TRP A 10 5.998 1.659 0.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 7.122 6.518 0.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 5.234 3.115 -1.327 1.00 0.00 H new ATOM 0 HH2 TRP A 10 5.794 5.510 -1.357 1.00 0.00 H new ATOM 153 N PHE A 11 9.922 1.394 0.833 1.00 0.00 N ATOM 154 CA PHE A 11 11.170 2.019 0.424 1.00 0.00 C ATOM 155 C PHE A 11 10.905 3.413 -0.137 1.00 0.00 C ATOM 156 O PHE A 11 10.291 3.559 -1.196 1.00 0.00 O ATOM 157 CB PHE A 11 11.881 1.161 -0.620 1.00 0.00 C ATOM 158 CG PHE A 11 12.272 -0.202 -0.124 1.00 0.00 C ATOM 159 CD1 PHE A 11 13.350 -0.358 0.731 1.00 0.00 C ATOM 160 CD2 PHE A 11 11.564 -1.327 -0.518 1.00 0.00 C ATOM 161 CE1 PHE A 11 13.715 -1.610 1.185 1.00 0.00 C ATOM 162 CE2 PHE A 11 11.924 -2.582 -0.067 1.00 0.00 C ATOM 163 CZ PHE A 11 13.001 -2.724 0.787 1.00 0.00 C ATOM 0 H PHE A 11 9.207 1.371 0.106 1.00 0.00 H new ATOM 0 HA PHE A 11 11.813 2.108 1.299 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.231 1.048 -1.487 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.775 1.684 -0.958 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.911 0.509 1.046 1.00 0.00 H new ATOM 0 HD2 PHE A 11 10.721 -1.221 -1.185 1.00 0.00 H new ATOM 0 HE1 PHE A 11 14.558 -1.718 1.851 1.00 0.00 H new ATOM 0 HE2 PHE A 11 11.365 -3.451 -0.381 1.00 0.00 H new ATOM 0 HZ PHE A 11 13.284 -3.704 1.143 1.00 0.00 H new ATOM 173 N LYS A 12 11.380 4.423 0.580 1.00 0.00 N ATOM 174 CA LYS A 12 11.157 5.819 0.216 1.00 0.00 C ATOM 175 C LYS A 12 11.756 6.124 -1.153 1.00 0.00 C ATOM 176 O LYS A 12 11.039 6.438 -2.102 1.00 0.00 O ATOM 177 CB LYS A 12 11.785 6.742 1.280 1.00 0.00 C ATOM 178 CG LYS A 12 11.329 8.204 1.238 1.00 0.00 C ATOM 179 CD LYS A 12 11.754 8.930 -0.034 1.00 0.00 C ATOM 180 CE LYS A 12 12.509 10.219 0.260 1.00 0.00 C ATOM 181 NZ LYS A 12 13.888 9.963 0.755 1.00 0.00 N ATOM 0 H LYS A 12 11.930 4.299 1.430 1.00 0.00 H new ATOM 0 HA LYS A 12 10.083 5.997 0.169 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.558 6.337 2.266 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.869 6.714 1.166 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.243 8.242 1.324 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.736 8.730 2.102 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.384 8.271 -0.632 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.871 9.157 -0.632 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.556 10.825 -0.645 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.960 10.798 1.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.272 10.832 1.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.865 9.210 1.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 14.492 9.668 -0.038 1.00 0.00 H new ATOM 195 N ASP A 13 13.070 6.016 -1.245 1.00 0.00 N ATOM 196 CA ASP A 13 13.795 6.461 -2.420 1.00 0.00 C ATOM 197 C ASP A 13 13.569 5.523 -3.599 1.00 0.00 C ATOM 198 O ASP A 13 13.826 5.877 -4.750 1.00 0.00 O ATOM 199 CB ASP A 13 15.280 6.573 -2.092 1.00 0.00 C ATOM 200 CG ASP A 13 15.551 7.556 -0.968 1.00 0.00 C ATOM 201 OD1 ASP A 13 15.630 8.774 -1.232 1.00 0.00 O ATOM 202 OD2 ASP A 13 15.674 7.116 0.195 1.00 0.00 O ATOM 0 H ASP A 13 13.660 5.620 -0.513 1.00 0.00 H new ATOM 0 HA ASP A 13 13.419 7.442 -2.710 1.00 0.00 H new ATOM 0 HB2 ASP A 13 15.663 5.591 -1.813 1.00 0.00 H new ATOM 0 HB3 ASP A 13 15.824 6.885 -2.983 1.00 0.00 H new ATOM 207 N LYS A 14 13.082 4.327 -3.309 1.00 0.00 N ATOM 208 CA LYS A 14 12.698 3.391 -4.352 1.00 0.00 C ATOM 209 C LYS A 14 11.309 3.735 -4.873 1.00 0.00 C ATOM 210 O LYS A 14 11.025 3.593 -6.061 1.00 0.00 O ATOM 211 CB LYS A 14 12.735 1.952 -3.832 1.00 0.00 C ATOM 212 CG LYS A 14 14.139 1.414 -3.577 1.00 0.00 C ATOM 213 CD LYS A 14 14.778 0.834 -4.836 1.00 0.00 C ATOM 214 CE LYS A 14 14.978 1.880 -5.923 1.00 0.00 C ATOM 215 NZ LYS A 14 15.568 1.298 -7.155 1.00 0.00 N ATOM 0 H LYS A 14 12.943 3.982 -2.359 1.00 0.00 H new ATOM 0 HA LYS A 14 13.412 3.471 -5.171 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.164 1.898 -2.905 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.235 1.304 -4.553 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.768 2.216 -3.190 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.096 0.644 -2.807 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.741 0.392 -4.580 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.150 0.030 -5.221 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.020 2.341 -6.163 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.628 2.671 -5.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.687 2.045 -7.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.494 0.881 -6.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.936 0.560 -7.527 1.00 0.00 H new ATOM 229 N GLY A 15 10.447 4.193 -3.976 1.00 0.00 N ATOM 230 CA GLY A 15 9.133 4.646 -4.379 1.00 0.00 C ATOM 231 C GLY A 15 8.107 3.534 -4.431 1.00 0.00 C ATOM 232 O GLY A 15 7.036 3.698 -5.011 1.00 0.00 O ATOM 0 H GLY A 15 10.635 4.259 -2.976 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.792 5.414 -3.684 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.203 5.113 -5.361 1.00 0.00 H new ATOM 236 N PHE A 16 8.422 2.399 -3.828 1.00 0.00 N ATOM 237 CA PHE A 16 7.496 1.280 -3.803 1.00 0.00 C ATOM 238 C PHE A 16 7.613 0.518 -2.493 1.00 0.00 C ATOM 239 O PHE A 16 8.470 0.824 -1.660 1.00 0.00 O ATOM 240 CB PHE A 16 7.723 0.341 -5.000 1.00 0.00 C ATOM 241 CG PHE A 16 9.095 -0.278 -5.074 1.00 0.00 C ATOM 242 CD1 PHE A 16 9.397 -1.424 -4.353 1.00 0.00 C ATOM 243 CD2 PHE A 16 10.075 0.275 -5.883 1.00 0.00 C ATOM 244 CE1 PHE A 16 10.648 -2.004 -4.433 1.00 0.00 C ATOM 245 CE2 PHE A 16 11.329 -0.299 -5.967 1.00 0.00 C ATOM 246 CZ PHE A 16 11.616 -1.440 -5.242 1.00 0.00 C ATOM 0 H PHE A 16 9.308 2.229 -3.352 1.00 0.00 H new ATOM 0 HA PHE A 16 6.485 1.680 -3.881 1.00 0.00 H new ATOM 0 HB2 PHE A 16 6.982 -0.458 -4.961 1.00 0.00 H new ATOM 0 HB3 PHE A 16 7.543 0.899 -5.919 1.00 0.00 H new ATOM 0 HD1 PHE A 16 8.643 -1.869 -3.720 1.00 0.00 H new ATOM 0 HD2 PHE A 16 9.856 1.165 -6.454 1.00 0.00 H new ATOM 0 HE1 PHE A 16 10.869 -2.896 -3.865 1.00 0.00 H new ATOM 0 HE2 PHE A 16 12.085 0.144 -6.599 1.00 0.00 H new ATOM 0 HZ PHE A 16 12.595 -1.890 -5.308 1.00 0.00 H new ATOM 256 N GLY A 17 6.749 -0.466 -2.321 1.00 0.00 N ATOM 257 CA GLY A 17 6.743 -1.249 -1.108 1.00 0.00 C ATOM 258 C GLY A 17 5.779 -2.408 -1.200 1.00 0.00 C ATOM 259 O GLY A 17 5.272 -2.715 -2.283 1.00 0.00 O ATOM 0 H GLY A 17 6.045 -0.738 -3.007 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.747 -1.625 -0.912 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.470 -0.614 -0.265 1.00 0.00 H new ATOM 263 N PHE A 18 5.511 -3.041 -0.069 1.00 0.00 N ATOM 264 CA PHE A 18 4.626 -4.187 -0.021 1.00 0.00 C ATOM 265 C PHE A 18 3.657 -4.027 1.131 1.00 0.00 C ATOM 266 O PHE A 18 4.060 -3.808 2.276 1.00 0.00 O ATOM 267 CB PHE A 18 5.411 -5.488 0.143 1.00 0.00 C ATOM 268 CG PHE A 18 6.400 -5.747 -0.959 1.00 0.00 C ATOM 269 CD1 PHE A 18 5.972 -6.186 -2.203 1.00 0.00 C ATOM 270 CD2 PHE A 18 7.755 -5.551 -0.753 1.00 0.00 C ATOM 271 CE1 PHE A 18 6.878 -6.425 -3.217 1.00 0.00 C ATOM 272 CE2 PHE A 18 8.665 -5.787 -1.764 1.00 0.00 C ATOM 273 CZ PHE A 18 8.226 -6.225 -2.998 1.00 0.00 C ATOM 0 H PHE A 18 5.900 -2.774 0.835 1.00 0.00 H new ATOM 0 HA PHE A 18 4.080 -4.238 -0.963 1.00 0.00 H new ATOM 0 HB2 PHE A 18 5.941 -5.463 1.095 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.709 -6.321 0.191 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.918 -6.343 -2.381 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.104 -5.209 0.210 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.532 -6.768 -4.181 1.00 0.00 H new ATOM 0 HE2 PHE A 18 9.719 -5.629 -1.590 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.936 -6.411 -3.790 1.00 0.00 H new ATOM 283 N ILE A 19 2.388 -4.114 0.813 1.00 0.00 N ATOM 284 CA ILE A 19 1.338 -4.007 1.803 1.00 0.00 C ATOM 285 C ILE A 19 0.516 -5.282 1.786 1.00 0.00 C ATOM 286 O ILE A 19 0.097 -5.748 0.724 1.00 0.00 O ATOM 287 CB ILE A 19 0.433 -2.779 1.541 1.00 0.00 C ATOM 288 CG1 ILE A 19 1.254 -1.485 1.640 1.00 0.00 C ATOM 289 CG2 ILE A 19 -0.734 -2.749 2.518 1.00 0.00 C ATOM 290 CD1 ILE A 19 0.482 -0.236 1.273 1.00 0.00 C ATOM 0 H ILE A 19 2.052 -4.261 -0.139 1.00 0.00 H new ATOM 0 HA ILE A 19 1.793 -3.870 2.784 1.00 0.00 H new ATOM 0 HB ILE A 19 0.027 -2.858 0.533 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.629 -1.382 2.658 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.123 -1.567 0.987 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.356 -1.877 2.315 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.329 -3.655 2.402 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.353 -2.693 3.538 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.131 0.634 1.368 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.130 -0.315 0.245 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.372 -0.126 1.942 1.00 0.00 H new ATOM 302 N LYS A 20 0.321 -5.866 2.950 1.00 0.00 N ATOM 303 CA LYS A 20 -0.403 -7.114 3.043 1.00 0.00 C ATOM 304 C LYS A 20 -1.773 -6.881 3.649 1.00 0.00 C ATOM 305 O LYS A 20 -1.896 -6.279 4.719 1.00 0.00 O ATOM 306 CB LYS A 20 0.377 -8.126 3.883 1.00 0.00 C ATOM 307 CG LYS A 20 -0.282 -9.491 3.944 1.00 0.00 C ATOM 308 CD LYS A 20 0.483 -10.434 4.848 1.00 0.00 C ATOM 309 CE LYS A 20 -0.198 -11.786 4.937 1.00 0.00 C ATOM 310 NZ LYS A 20 0.484 -12.684 5.903 1.00 0.00 N ATOM 0 H LYS A 20 0.653 -5.497 3.841 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.525 -7.517 2.038 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.380 -8.233 3.471 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.488 -7.738 4.896 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.305 -9.387 4.306 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.341 -9.914 2.941 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.498 -10.560 4.471 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.565 -10.000 5.844 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.237 -11.651 5.238 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.209 -12.253 3.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.011 -13.598 5.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.468 -12.834 5.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.473 -12.250 6.848 1.00 0.00 H new ATOM 324 N ASP A 21 -2.798 -7.336 2.955 1.00 0.00 N ATOM 325 CA ASP A 21 -4.150 -7.253 3.468 1.00 0.00 C ATOM 326 C ASP A 21 -4.527 -8.559 4.132 1.00 0.00 C ATOM 327 O ASP A 21 -3.771 -9.529 4.097 1.00 0.00 O ATOM 328 CB ASP A 21 -5.149 -6.935 2.360 1.00 0.00 C ATOM 329 CG ASP A 21 -5.113 -7.939 1.229 1.00 0.00 C ATOM 330 OD1 ASP A 21 -4.290 -7.777 0.303 1.00 0.00 O ATOM 331 OD2 ASP A 21 -5.912 -8.894 1.260 1.00 0.00 O ATOM 0 H ASP A 21 -2.719 -7.767 2.034 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.183 -6.444 4.197 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.154 -6.906 2.781 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.940 -5.941 1.964 1.00 0.00 H new ATOM 336 N GLU A 22 -5.701 -8.586 4.724 1.00 0.00 N ATOM 337 CA GLU A 22 -6.150 -9.748 5.461 1.00 0.00 C ATOM 338 C GLU A 22 -7.170 -10.544 4.655 1.00 0.00 C ATOM 339 O GLU A 22 -7.846 -11.427 5.184 1.00 0.00 O ATOM 340 CB GLU A 22 -6.748 -9.308 6.789 1.00 0.00 C ATOM 341 CG GLU A 22 -5.780 -8.526 7.663 1.00 0.00 C ATOM 342 CD GLU A 22 -6.382 -8.144 8.995 1.00 0.00 C ATOM 343 OE1 GLU A 22 -7.423 -7.454 9.006 1.00 0.00 O ATOM 344 OE2 GLU A 22 -5.821 -8.531 10.039 1.00 0.00 O ATOM 0 H GLU A 22 -6.365 -7.812 4.709 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.294 -10.396 5.649 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.628 -8.694 6.596 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.087 -10.188 7.335 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.884 -9.123 7.831 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.468 -7.624 7.137 1.00 0.00 H new ATOM 351 N ASN A 23 -7.264 -10.242 3.370 1.00 0.00 N ATOM 352 CA ASN A 23 -8.211 -10.915 2.497 1.00 0.00 C ATOM 353 C ASN A 23 -7.484 -11.876 1.562 1.00 0.00 C ATOM 354 O ASN A 23 -7.875 -13.035 1.418 1.00 0.00 O ATOM 355 CB ASN A 23 -9.011 -9.889 1.688 1.00 0.00 C ATOM 356 CG ASN A 23 -9.990 -10.533 0.720 1.00 0.00 C ATOM 357 OD1 ASN A 23 -11.127 -10.835 1.077 1.00 0.00 O ATOM 358 ND2 ASN A 23 -9.561 -10.731 -0.520 1.00 0.00 N ATOM 0 H ASN A 23 -6.694 -9.533 2.908 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.903 -11.489 3.114 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -9.558 -9.241 2.373 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -8.321 -9.255 1.131 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.182 -11.147 -1.214 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.610 -10.467 -0.779 1.00 0.00 H new ATOM 365 N GLY A 24 -6.416 -11.391 0.946 1.00 0.00 N ATOM 366 CA GLY A 24 -5.697 -12.180 -0.025 1.00 0.00 C ATOM 367 C GLY A 24 -4.298 -12.555 0.423 1.00 0.00 C ATOM 368 O GLY A 24 -4.092 -13.637 0.973 1.00 0.00 O ATOM 0 H GLY A 24 -6.035 -10.458 1.105 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.260 -13.090 -0.232 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.634 -11.624 -0.960 1.00 0.00 H new ATOM 372 N ASP A 25 -3.345 -11.652 0.220 1.00 0.00 N ATOM 373 CA ASP A 25 -1.930 -11.976 0.397 1.00 0.00 C ATOM 374 C ASP A 25 -1.105 -10.689 0.359 1.00 0.00 C ATOM 375 O ASP A 25 -1.656 -9.596 0.482 1.00 0.00 O ATOM 376 CB ASP A 25 -1.486 -12.937 -0.723 1.00 0.00 C ATOM 377 CG ASP A 25 -0.214 -13.705 -0.404 1.00 0.00 C ATOM 378 OD1 ASP A 25 0.889 -13.195 -0.692 1.00 0.00 O ATOM 379 OD2 ASP A 25 -0.308 -14.835 0.114 1.00 0.00 O ATOM 0 H ASP A 25 -3.524 -10.690 -0.067 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.775 -12.461 1.361 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.289 -13.648 -0.919 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.335 -12.367 -1.640 1.00 0.00 H new ATOM 384 N ASN A 26 0.202 -10.817 0.187 1.00 0.00 N ATOM 385 CA ASN A 26 1.080 -9.660 0.068 1.00 0.00 C ATOM 386 C ASN A 26 1.057 -9.152 -1.372 1.00 0.00 C ATOM 387 O ASN A 26 1.198 -9.934 -2.317 1.00 0.00 O ATOM 388 CB ASN A 26 2.507 -10.038 0.484 1.00 0.00 C ATOM 389 CG ASN A 26 3.446 -8.847 0.511 1.00 0.00 C ATOM 390 OD1 ASN A 26 4.060 -8.500 -0.500 1.00 0.00 O ATOM 391 ND2 ASN A 26 3.582 -8.225 1.672 1.00 0.00 N ATOM 0 H ASN A 26 0.681 -11.715 0.126 1.00 0.00 H new ATOM 0 HA ASN A 26 0.730 -8.867 0.729 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.483 -10.498 1.472 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.896 -10.786 -0.207 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.213 -7.428 1.753 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.056 -8.543 2.486 1.00 0.00 H new ATOM 398 N ARG A 27 0.871 -7.852 -1.543 1.00 0.00 N ATOM 399 CA ARG A 27 0.712 -7.278 -2.870 1.00 0.00 C ATOM 400 C ARG A 27 1.726 -6.173 -3.117 1.00 0.00 C ATOM 401 O ARG A 27 2.183 -5.511 -2.182 1.00 0.00 O ATOM 402 CB ARG A 27 -0.721 -6.771 -3.056 1.00 0.00 C ATOM 403 CG ARG A 27 -1.719 -7.900 -3.260 1.00 0.00 C ATOM 404 CD ARG A 27 -3.160 -7.411 -3.287 1.00 0.00 C ATOM 405 NE ARG A 27 -4.055 -8.410 -3.877 1.00 0.00 N ATOM 406 CZ ARG A 27 -4.866 -9.211 -3.180 1.00 0.00 C ATOM 407 NH1 ARG A 27 -4.954 -9.109 -1.859 1.00 0.00 N ATOM 408 NH2 ARG A 27 -5.596 -10.119 -3.817 1.00 0.00 N ATOM 0 H ARG A 27 0.827 -7.176 -0.781 1.00 0.00 H new ATOM 0 HA ARG A 27 0.899 -8.058 -3.608 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.012 -6.187 -2.183 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.757 -6.100 -3.914 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.496 -8.412 -4.196 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.603 -8.632 -2.460 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.487 -7.182 -2.273 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.220 -6.484 -3.858 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.059 -8.500 -4.893 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.398 -8.412 -1.363 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.578 -9.727 -1.340 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.535 -10.202 -4.832 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.217 -10.734 -3.291 1.00 0.00 H new ATOM 422 N TYR A 28 2.096 -6.008 -4.378 1.00 0.00 N ATOM 423 CA TYR A 28 3.053 -4.989 -4.774 1.00 0.00 C ATOM 424 C TYR A 28 2.384 -3.623 -4.836 1.00 0.00 C ATOM 425 O TYR A 28 1.345 -3.453 -5.482 1.00 0.00 O ATOM 426 CB TYR A 28 3.674 -5.352 -6.130 1.00 0.00 C ATOM 427 CG TYR A 28 4.450 -4.226 -6.781 1.00 0.00 C ATOM 428 CD1 TYR A 28 5.664 -3.790 -6.261 1.00 0.00 C ATOM 429 CD2 TYR A 28 3.957 -3.593 -7.914 1.00 0.00 C ATOM 430 CE1 TYR A 28 6.363 -2.755 -6.857 1.00 0.00 C ATOM 431 CE2 TYR A 28 4.649 -2.559 -8.512 1.00 0.00 C ATOM 432 CZ TYR A 28 5.849 -2.143 -7.982 1.00 0.00 C ATOM 433 OH TYR A 28 6.536 -1.110 -8.580 1.00 0.00 O ATOM 0 H TYR A 28 1.743 -6.573 -5.150 1.00 0.00 H new ATOM 0 HA TYR A 28 3.847 -4.943 -4.028 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.339 -6.205 -5.995 1.00 0.00 H new ATOM 0 HB3 TYR A 28 2.881 -5.670 -6.807 1.00 0.00 H new ATOM 0 HD1 TYR A 28 6.067 -4.266 -5.379 1.00 0.00 H new ATOM 0 HD2 TYR A 28 3.016 -3.915 -8.335 1.00 0.00 H new ATOM 0 HE1 TYR A 28 7.306 -2.428 -6.444 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.250 -2.078 -9.393 1.00 0.00 H new ATOM 0 HH TYR A 28 6.036 -0.793 -9.361 1.00 0.00 H new ATOM 443 N PHE A 29 2.973 -2.658 -4.145 1.00 0.00 N ATOM 444 CA PHE A 29 2.464 -1.297 -4.146 1.00 0.00 C ATOM 445 C PHE A 29 3.513 -0.334 -4.667 1.00 0.00 C ATOM 446 O PHE A 29 4.713 -0.608 -4.605 1.00 0.00 O ATOM 447 CB PHE A 29 2.023 -0.870 -2.746 1.00 0.00 C ATOM 448 CG PHE A 29 0.758 -1.531 -2.280 1.00 0.00 C ATOM 449 CD1 PHE A 29 0.743 -2.870 -1.933 1.00 0.00 C ATOM 450 CD2 PHE A 29 -0.420 -0.810 -2.192 1.00 0.00 C ATOM 451 CE1 PHE A 29 -0.419 -3.477 -1.505 1.00 0.00 C ATOM 452 CE2 PHE A 29 -1.586 -1.412 -1.765 1.00 0.00 C ATOM 453 CZ PHE A 29 -1.585 -2.748 -1.419 1.00 0.00 C ATOM 0 H PHE A 29 3.807 -2.795 -3.575 1.00 0.00 H new ATOM 0 HA PHE A 29 1.597 -1.271 -4.805 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.821 -1.096 -2.039 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.883 0.211 -2.733 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.653 -3.448 -1.998 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.427 0.236 -2.461 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.415 -4.523 -1.237 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.499 -0.838 -1.702 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.496 -3.221 -1.082 1.00 0.00 H new ATOM 463 N HIS A 30 3.054 0.799 -5.163 1.00 0.00 N ATOM 464 CA HIS A 30 3.930 1.809 -5.727 1.00 0.00 C ATOM 465 C HIS A 30 3.409 3.189 -5.332 1.00 0.00 C ATOM 466 O HIS A 30 2.200 3.402 -5.306 1.00 0.00 O ATOM 467 CB HIS A 30 3.982 1.648 -7.251 1.00 0.00 C ATOM 468 CG HIS A 30 5.034 2.476 -7.928 1.00 0.00 C ATOM 469 ND1 HIS A 30 4.757 3.288 -8.997 1.00 0.00 N ATOM 470 CD2 HIS A 30 6.351 2.640 -7.667 1.00 0.00 C ATOM 471 CE1 HIS A 30 5.846 3.933 -9.362 1.00 0.00 C ATOM 472 NE2 HIS A 30 6.835 3.555 -8.572 1.00 0.00 N ATOM 0 H HIS A 30 2.065 1.045 -5.187 1.00 0.00 H new ATOM 0 HA HIS A 30 4.943 1.695 -5.342 1.00 0.00 H new ATOM 0 HB2 HIS A 30 4.156 0.598 -7.487 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.008 1.911 -7.665 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.917 2.145 -6.892 1.00 0.00 H new ATOM 0 HE1 HIS A 30 5.918 4.648 -10.168 1.00 0.00 H new ATOM 0 HE2 HIS A 30 7.798 3.887 -8.625 1.00 0.00 H new ATOM 481 N VAL A 31 4.317 4.113 -5.022 1.00 0.00 N ATOM 482 CA VAL A 31 3.951 5.422 -4.465 1.00 0.00 C ATOM 483 C VAL A 31 2.943 6.181 -5.341 1.00 0.00 C ATOM 484 O VAL A 31 2.108 6.924 -4.828 1.00 0.00 O ATOM 485 CB VAL A 31 5.207 6.302 -4.237 1.00 0.00 C ATOM 486 CG1 VAL A 31 5.881 6.659 -5.555 1.00 0.00 C ATOM 487 CG2 VAL A 31 4.857 7.558 -3.451 1.00 0.00 C ATOM 0 H VAL A 31 5.321 3.981 -5.147 1.00 0.00 H new ATOM 0 HA VAL A 31 3.470 5.219 -3.508 1.00 0.00 H new ATOM 0 HB VAL A 31 5.915 5.719 -3.649 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.758 7.276 -5.360 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.186 5.746 -6.066 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.182 7.210 -6.184 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.755 8.158 -3.305 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.119 8.139 -4.004 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.446 7.278 -2.481 1.00 0.00 H new ATOM 497 N ILE A 32 3.002 5.974 -6.652 1.00 0.00 N ATOM 498 CA ILE A 32 2.145 6.711 -7.578 1.00 0.00 C ATOM 499 C ILE A 32 0.688 6.248 -7.451 1.00 0.00 C ATOM 500 O ILE A 32 -0.251 6.963 -7.804 1.00 0.00 O ATOM 501 CB ILE A 32 2.621 6.536 -9.037 1.00 0.00 C ATOM 502 CG1 ILE A 32 1.840 7.460 -9.949 1.00 0.00 C ATOM 503 CG2 ILE A 32 2.438 5.099 -9.493 1.00 0.00 C ATOM 504 CD1 ILE A 32 2.492 7.688 -11.294 1.00 0.00 C ATOM 0 H ILE A 32 3.631 5.306 -7.097 1.00 0.00 H new ATOM 0 HA ILE A 32 2.208 7.767 -7.316 1.00 0.00 H new ATOM 0 HB ILE A 32 3.681 6.786 -9.085 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.844 7.045 -10.105 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.710 8.421 -9.452 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.779 4.998 -10.523 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.019 4.437 -8.851 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.384 4.829 -9.432 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.873 8.360 -11.889 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.476 8.133 -11.150 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.597 6.736 -11.814 1.00 0.00 H new ATOM 516 N LYS A 33 0.527 5.050 -6.919 1.00 0.00 N ATOM 517 CA LYS A 33 -0.783 4.434 -6.735 1.00 0.00 C ATOM 518 C LYS A 33 -1.460 4.951 -5.464 1.00 0.00 C ATOM 519 O LYS A 33 -2.651 4.720 -5.241 1.00 0.00 O ATOM 520 CB LYS A 33 -0.636 2.909 -6.657 1.00 0.00 C ATOM 521 CG LYS A 33 -1.237 2.153 -7.835 1.00 0.00 C ATOM 522 CD LYS A 33 -0.699 2.631 -9.175 1.00 0.00 C ATOM 523 CE LYS A 33 -1.276 1.812 -10.321 1.00 0.00 C ATOM 524 NZ LYS A 33 -0.851 2.323 -11.653 1.00 0.00 N ATOM 0 H LYS A 33 1.303 4.470 -6.599 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.406 4.699 -7.589 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.423 2.662 -6.586 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.107 2.558 -5.739 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.029 1.089 -7.723 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.321 2.269 -7.821 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.947 3.683 -9.315 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.388 2.556 -9.182 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.962 0.773 -10.216 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.364 1.824 -10.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.269 1.733 -12.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.173 3.305 -11.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.186 2.288 -11.724 1.00 0.00 H new ATOM 538 N VAL A 34 -0.696 5.653 -4.636 1.00 0.00 N ATOM 539 CA VAL A 34 -1.198 6.146 -3.360 1.00 0.00 C ATOM 540 C VAL A 34 -1.782 7.546 -3.515 1.00 0.00 C ATOM 541 O VAL A 34 -1.222 8.387 -4.217 1.00 0.00 O ATOM 542 CB VAL A 34 -0.085 6.174 -2.293 1.00 0.00 C ATOM 543 CG1 VAL A 34 -0.658 6.519 -0.928 1.00 0.00 C ATOM 544 CG2 VAL A 34 0.657 4.846 -2.247 1.00 0.00 C ATOM 0 H VAL A 34 0.277 5.894 -4.827 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.980 5.461 -3.033 1.00 0.00 H new ATOM 0 HB VAL A 34 0.629 6.950 -2.569 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.144 6.533 -0.190 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.131 7.500 -0.969 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.399 5.771 -0.645 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.437 4.891 -1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.042 4.047 -2.002 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.109 4.648 -3.219 1.00 0.00 H new ATOM 554 N ALA A 35 -2.913 7.786 -2.865 1.00 0.00 N ATOM 555 CA ALA A 35 -3.585 9.077 -2.947 1.00 0.00 C ATOM 556 C ALA A 35 -2.998 10.063 -1.948 1.00 0.00 C ATOM 557 O ALA A 35 -2.899 11.260 -2.224 1.00 0.00 O ATOM 558 CB ALA A 35 -5.075 8.905 -2.709 1.00 0.00 C ATOM 0 H ALA A 35 -3.386 7.102 -2.274 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.430 9.481 -3.948 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.568 9.875 -2.772 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.489 8.237 -3.464 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.239 8.479 -1.719 1.00 0.00 H new ATOM 564 N ASN A 36 -2.620 9.561 -0.784 1.00 0.00 N ATOM 565 CA ASN A 36 -2.054 10.396 0.265 1.00 0.00 C ATOM 566 C ASN A 36 -0.745 9.804 0.781 1.00 0.00 C ATOM 567 O ASN A 36 -0.714 9.071 1.769 1.00 0.00 O ATOM 568 CB ASN A 36 -3.070 10.621 1.404 1.00 0.00 C ATOM 569 CG ASN A 36 -3.689 9.340 1.960 1.00 0.00 C ATOM 570 OD1 ASN A 36 -3.788 8.318 1.278 1.00 0.00 O ATOM 571 ND2 ASN A 36 -4.144 9.401 3.202 1.00 0.00 N ATOM 0 H ASN A 36 -2.695 8.573 -0.540 1.00 0.00 H new ATOM 0 HA ASN A 36 -1.826 11.373 -0.161 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.575 11.153 2.216 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.868 11.267 1.040 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.592 8.586 3.621 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.046 10.262 3.739 1.00 0.00 H new ATOM 578 N PRO A 37 0.361 10.125 0.093 1.00 0.00 N ATOM 579 CA PRO A 37 1.688 9.577 0.384 1.00 0.00 C ATOM 580 C PRO A 37 2.322 10.199 1.620 1.00 0.00 C ATOM 581 O PRO A 37 3.084 9.555 2.337 1.00 0.00 O ATOM 582 CB PRO A 37 2.522 9.930 -0.858 1.00 0.00 C ATOM 583 CG PRO A 37 1.592 10.603 -1.817 1.00 0.00 C ATOM 584 CD PRO A 37 0.401 11.064 -1.031 1.00 0.00 C ATOM 0 HA PRO A 37 1.632 8.508 0.589 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.350 10.588 -0.595 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.955 9.034 -1.302 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.083 11.447 -2.301 1.00 0.00 H new ATOM 0 HG3 PRO A 37 1.289 9.915 -2.606 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.516 12.094 -0.692 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -0.513 11.023 -1.623 1.00 0.00 H new ATOM 592 N ASP A 38 2.003 11.459 1.856 1.00 0.00 N ATOM 593 CA ASP A 38 2.544 12.193 3.001 1.00 0.00 C ATOM 594 C ASP A 38 2.105 11.569 4.324 1.00 0.00 C ATOM 595 O ASP A 38 2.789 11.688 5.344 1.00 0.00 O ATOM 596 CB ASP A 38 2.096 13.651 2.948 1.00 0.00 C ATOM 597 CG ASP A 38 2.615 14.463 4.119 1.00 0.00 C ATOM 598 OD1 ASP A 38 3.846 14.620 4.242 1.00 0.00 O ATOM 599 OD2 ASP A 38 1.790 14.935 4.933 1.00 0.00 O ATOM 0 H ASP A 38 1.369 12.003 1.271 1.00 0.00 H new ATOM 0 HA ASP A 38 3.631 12.141 2.945 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.442 14.100 2.017 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.007 13.692 2.936 1.00 0.00 H new ATOM 604 N LEU A 39 0.977 10.882 4.290 1.00 0.00 N ATOM 605 CA LEU A 39 0.408 10.288 5.484 1.00 0.00 C ATOM 606 C LEU A 39 0.821 8.826 5.605 1.00 0.00 C ATOM 607 O LEU A 39 0.373 8.114 6.501 1.00 0.00 O ATOM 608 CB LEU A 39 -1.113 10.415 5.443 1.00 0.00 C ATOM 609 CG LEU A 39 -1.639 11.853 5.500 1.00 0.00 C ATOM 610 CD1 LEU A 39 -3.157 11.871 5.431 1.00 0.00 C ATOM 611 CD2 LEU A 39 -1.157 12.554 6.763 1.00 0.00 C ATOM 0 H LEU A 39 0.434 10.722 3.441 1.00 0.00 H new ATOM 0 HA LEU A 39 0.786 10.817 6.359 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.478 9.945 4.530 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.533 9.856 6.279 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.247 12.392 4.637 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.511 12.901 5.473 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.484 11.413 4.498 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.566 11.312 6.273 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.542 13.573 6.783 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.516 12.013 7.639 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.067 12.578 6.773 1.00 0.00 H new ATOM 623 N ILE A 40 1.685 8.395 4.697 1.00 0.00 N ATOM 624 CA ILE A 40 2.181 7.029 4.694 1.00 0.00 C ATOM 625 C ILE A 40 3.218 6.818 5.792 1.00 0.00 C ATOM 626 O ILE A 40 4.215 7.538 5.875 1.00 0.00 O ATOM 627 CB ILE A 40 2.803 6.659 3.328 1.00 0.00 C ATOM 628 CG1 ILE A 40 1.717 6.496 2.266 1.00 0.00 C ATOM 629 CG2 ILE A 40 3.643 5.387 3.431 1.00 0.00 C ATOM 630 CD1 ILE A 40 2.256 6.097 0.910 1.00 0.00 C ATOM 0 H ILE A 40 2.059 8.978 3.948 1.00 0.00 H new ATOM 0 HA ILE A 40 1.325 6.380 4.881 1.00 0.00 H new ATOM 0 HB ILE A 40 3.460 7.476 3.029 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.003 5.744 2.600 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.170 7.434 2.169 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.068 5.151 2.455 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.448 5.540 4.150 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.013 4.561 3.762 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.431 5.999 0.205 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.948 6.860 0.555 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.778 5.144 0.992 1.00 0.00 H new ATOM 642 N LYS A 41 2.958 5.840 6.639 1.00 0.00 N ATOM 643 CA LYS A 41 3.919 5.399 7.632 1.00 0.00 C ATOM 644 C LYS A 41 3.810 3.895 7.797 1.00 0.00 C ATOM 645 O LYS A 41 2.832 3.288 7.362 1.00 0.00 O ATOM 646 CB LYS A 41 3.707 6.108 8.972 1.00 0.00 C ATOM 647 CG LYS A 41 2.291 6.008 9.511 1.00 0.00 C ATOM 648 CD LYS A 41 2.164 6.692 10.864 1.00 0.00 C ATOM 649 CE LYS A 41 2.441 8.187 10.773 1.00 0.00 C ATOM 650 NZ LYS A 41 2.385 8.848 12.105 1.00 0.00 N ATOM 0 H LYS A 41 2.075 5.329 6.658 1.00 0.00 H new ATOM 0 HA LYS A 41 4.921 5.656 7.288 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.394 5.687 9.706 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.967 7.160 8.859 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.598 6.464 8.804 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.008 4.959 9.603 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.161 6.532 11.259 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.860 6.236 11.568 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.424 8.347 10.330 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.713 8.651 10.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.579 9.864 11.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.439 8.718 12.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.097 8.424 12.733 1.00 0.00 H new ATOM 664 N LYS A 42 4.806 3.294 8.416 1.00 0.00 N ATOM 665 CA LYS A 42 4.827 1.859 8.572 1.00 0.00 C ATOM 666 C LYS A 42 3.923 1.416 9.704 1.00 0.00 C ATOM 667 O LYS A 42 3.684 2.171 10.651 1.00 0.00 O ATOM 668 CB LYS A 42 6.244 1.369 8.803 1.00 0.00 C ATOM 669 CG LYS A 42 6.931 0.912 7.533 1.00 0.00 C ATOM 670 CD LYS A 42 8.352 0.450 7.800 1.00 0.00 C ATOM 671 CE LYS A 42 9.048 0.038 6.514 1.00 0.00 C ATOM 672 NZ LYS A 42 10.428 -0.451 6.761 1.00 0.00 N ATOM 0 H LYS A 42 5.609 3.778 8.818 1.00 0.00 H new ATOM 0 HA LYS A 42 4.451 1.418 7.649 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.829 2.169 9.257 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.225 0.544 9.515 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.362 0.098 7.084 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.943 1.729 6.811 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.914 1.252 8.279 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.339 -0.390 8.495 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.469 -0.744 6.023 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.081 0.887 5.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.867 -0.722 5.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.989 0.303 7.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.396 -1.277 7.392 1.00 0.00 H new ATOM 686 N ASP A 43 3.411 0.196 9.567 1.00 0.00 N ATOM 687 CA ASP A 43 2.504 -0.413 10.546 1.00 0.00 C ATOM 688 C ASP A 43 1.127 0.251 10.502 1.00 0.00 C ATOM 689 O ASP A 43 0.232 -0.087 11.273 1.00 0.00 O ATOM 690 CB ASP A 43 3.099 -0.344 11.963 1.00 0.00 C ATOM 691 CG ASP A 43 2.314 -1.149 12.980 1.00 0.00 C ATOM 692 OD1 ASP A 43 2.385 -2.396 12.937 1.00 0.00 O ATOM 693 OD2 ASP A 43 1.629 -0.540 13.830 1.00 0.00 O ATOM 0 H ASP A 43 3.613 -0.406 8.769 1.00 0.00 H new ATOM 0 HA ASP A 43 2.381 -1.463 10.282 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.126 -0.707 11.937 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.137 0.697 12.284 1.00 0.00 H new ATOM 698 N ALA A 44 0.947 1.175 9.568 1.00 0.00 N ATOM 699 CA ALA A 44 -0.322 1.870 9.420 1.00 0.00 C ATOM 700 C ALA A 44 -1.281 1.064 8.554 1.00 0.00 C ATOM 701 O ALA A 44 -0.856 0.207 7.773 1.00 0.00 O ATOM 702 CB ALA A 44 -0.105 3.251 8.825 1.00 0.00 C ATOM 0 H ALA A 44 1.665 1.460 8.902 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.766 1.983 10.409 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.065 3.757 8.721 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.543 3.832 9.481 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.363 3.156 7.845 1.00 0.00 H new ATOM 708 N ALA A 45 -2.570 1.341 8.697 1.00 0.00 N ATOM 709 CA ALA A 45 -3.587 0.638 7.936 1.00 0.00 C ATOM 710 C ALA A 45 -4.009 1.459 6.726 1.00 0.00 C ATOM 711 O ALA A 45 -4.208 2.672 6.821 1.00 0.00 O ATOM 712 CB ALA A 45 -4.791 0.324 8.817 1.00 0.00 C ATOM 0 H ALA A 45 -2.934 2.049 9.335 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.165 -0.303 7.583 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.544 -0.203 8.230 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.477 -0.303 9.652 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.214 1.253 9.199 1.00 0.00 H new ATOM 718 N VAL A 46 -4.134 0.801 5.586 1.00 0.00 N ATOM 719 CA VAL A 46 -4.525 1.473 4.360 1.00 0.00 C ATOM 720 C VAL A 46 -5.631 0.705 3.651 1.00 0.00 C ATOM 721 O VAL A 46 -5.789 -0.499 3.849 1.00 0.00 O ATOM 722 CB VAL A 46 -3.333 1.649 3.394 1.00 0.00 C ATOM 723 CG1 VAL A 46 -2.283 2.574 3.991 1.00 0.00 C ATOM 724 CG2 VAL A 46 -2.721 0.302 3.045 1.00 0.00 C ATOM 0 H VAL A 46 -3.970 -0.201 5.485 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.889 2.460 4.646 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.706 2.105 2.477 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.454 2.682 3.292 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.726 3.551 4.183 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.916 2.152 4.927 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.883 0.449 2.364 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.368 -0.184 3.955 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.472 -0.326 2.566 1.00 0.00 H new ATOM 734 N THR A 47 -6.393 1.410 2.838 1.00 0.00 N ATOM 735 CA THR A 47 -7.456 0.802 2.061 1.00 0.00 C ATOM 736 C THR A 47 -7.173 0.961 0.572 1.00 0.00 C ATOM 737 O THR A 47 -6.777 2.033 0.119 1.00 0.00 O ATOM 738 CB THR A 47 -8.828 1.412 2.405 1.00 0.00 C ATOM 739 OG1 THR A 47 -8.749 2.847 2.404 1.00 0.00 O ATOM 740 CG2 THR A 47 -9.310 0.924 3.763 1.00 0.00 C ATOM 0 H THR A 47 -6.294 2.415 2.697 1.00 0.00 H new ATOM 0 HA THR A 47 -7.488 -0.258 2.312 1.00 0.00 H new ATOM 0 HB THR A 47 -9.542 1.092 1.646 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.627 3.223 2.622 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.281 1.367 3.985 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.402 -0.162 3.748 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.593 1.216 4.530 1.00 0.00 H new ATOM 748 N PHE A 48 -7.363 -0.109 -0.175 1.00 0.00 N ATOM 749 CA PHE A 48 -7.015 -0.135 -1.587 1.00 0.00 C ATOM 750 C PHE A 48 -7.907 -1.108 -2.340 1.00 0.00 C ATOM 751 O PHE A 48 -8.736 -1.789 -1.739 1.00 0.00 O ATOM 752 CB PHE A 48 -5.548 -0.548 -1.748 1.00 0.00 C ATOM 753 CG PHE A 48 -5.169 -1.751 -0.920 1.00 0.00 C ATOM 754 CD1 PHE A 48 -5.428 -3.036 -1.375 1.00 0.00 C ATOM 755 CD2 PHE A 48 -4.559 -1.594 0.316 1.00 0.00 C ATOM 756 CE1 PHE A 48 -5.084 -4.139 -0.614 1.00 0.00 C ATOM 757 CE2 PHE A 48 -4.213 -2.694 1.079 1.00 0.00 C ATOM 758 CZ PHE A 48 -4.477 -3.967 0.614 1.00 0.00 C ATOM 0 H PHE A 48 -7.760 -0.981 0.174 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.162 0.863 -2.001 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.352 -0.763 -2.798 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.910 0.291 -1.470 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.904 -3.177 -2.334 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.352 -0.601 0.687 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.290 -5.134 -0.980 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.736 -2.557 2.038 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.209 -4.827 1.210 1.00 0.00 H new ATOM 768 N GLU A 49 -7.730 -1.178 -3.648 1.00 0.00 N ATOM 769 CA GLU A 49 -8.424 -2.167 -4.451 1.00 0.00 C ATOM 770 C GLU A 49 -7.420 -3.033 -5.195 1.00 0.00 C ATOM 771 O GLU A 49 -6.368 -2.546 -5.613 1.00 0.00 O ATOM 772 CB GLU A 49 -9.373 -1.508 -5.448 1.00 0.00 C ATOM 773 CG GLU A 49 -10.566 -0.823 -4.812 1.00 0.00 C ATOM 774 CD GLU A 49 -11.719 -0.695 -5.782 1.00 0.00 C ATOM 775 OE1 GLU A 49 -11.537 -0.072 -6.846 1.00 0.00 O ATOM 776 OE2 GLU A 49 -12.800 -1.257 -5.503 1.00 0.00 O ATOM 0 H GLU A 49 -7.112 -0.562 -4.175 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.015 -2.788 -3.778 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.816 -0.775 -6.032 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.732 -2.265 -6.145 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.887 -1.389 -3.937 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.273 0.167 -4.462 1.00 0.00 H new ATOM 783 N PRO A 50 -7.726 -4.324 -5.367 1.00 0.00 N ATOM 784 CA PRO A 50 -6.827 -5.258 -6.039 1.00 0.00 C ATOM 785 C PRO A 50 -6.801 -5.075 -7.554 1.00 0.00 C ATOM 786 O PRO A 50 -7.808 -4.723 -8.178 1.00 0.00 O ATOM 787 CB PRO A 50 -7.407 -6.626 -5.677 1.00 0.00 C ATOM 788 CG PRO A 50 -8.858 -6.377 -5.459 1.00 0.00 C ATOM 789 CD PRO A 50 -8.966 -4.981 -4.906 1.00 0.00 C ATOM 0 HA PRO A 50 -5.793 -5.115 -5.726 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -7.245 -7.349 -6.477 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.936 -7.031 -4.781 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.413 -6.470 -6.392 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.278 -7.104 -4.764 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -9.853 -4.470 -5.280 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -9.036 -4.986 -3.818 1.00 0.00 H new ATOM 797 N THR A 51 -5.635 -5.307 -8.129 1.00 0.00 N ATOM 798 CA THR A 51 -5.460 -5.291 -9.567 1.00 0.00 C ATOM 799 C THR A 51 -4.339 -6.260 -9.926 1.00 0.00 C ATOM 800 O THR A 51 -3.462 -6.532 -9.105 1.00 0.00 O ATOM 801 CB THR A 51 -5.145 -3.867 -10.090 1.00 0.00 C ATOM 802 OG1 THR A 51 -5.112 -3.861 -11.522 1.00 0.00 O ATOM 803 CG2 THR A 51 -3.818 -3.353 -9.544 1.00 0.00 C ATOM 0 H THR A 51 -4.782 -5.512 -7.609 1.00 0.00 H new ATOM 0 HA THR A 51 -6.390 -5.601 -10.044 1.00 0.00 H new ATOM 0 HB THR A 51 -5.937 -3.204 -9.741 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.914 -2.956 -11.841 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.629 -2.352 -9.931 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.861 -3.319 -8.455 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.014 -4.020 -9.854 1.00 0.00 H new ATOM 811 N THR A 52 -4.367 -6.811 -11.120 1.00 0.00 N ATOM 812 CA THR A 52 -3.396 -7.822 -11.477 1.00 0.00 C ATOM 813 C THR A 52 -2.166 -7.201 -12.121 1.00 0.00 C ATOM 814 O THR A 52 -2.241 -6.149 -12.761 1.00 0.00 O ATOM 815 CB THR A 52 -3.992 -8.867 -12.437 1.00 0.00 C ATOM 816 OG1 THR A 52 -5.381 -9.067 -12.141 1.00 0.00 O ATOM 817 CG2 THR A 52 -3.251 -10.193 -12.322 1.00 0.00 C ATOM 0 H THR A 52 -5.041 -6.581 -11.850 1.00 0.00 H new ATOM 0 HA THR A 52 -3.107 -8.318 -10.550 1.00 0.00 H new ATOM 0 HB THR A 52 -3.885 -8.495 -13.456 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.754 -9.732 -12.757 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.690 -10.916 -13.010 1.00 0.00 H new ATOM 0 HG22 THR A 52 -2.200 -10.046 -12.572 1.00 0.00 H new ATOM 0 HG23 THR A 52 -3.332 -10.568 -11.302 1.00 0.00 H new ATOM 825 N ASN A 53 -1.043 -7.864 -11.937 1.00 0.00 N ATOM 826 CA ASN A 53 0.211 -7.441 -12.521 1.00 0.00 C ATOM 827 C ASN A 53 0.804 -8.616 -13.280 1.00 0.00 C ATOM 828 O ASN A 53 0.441 -9.765 -13.019 1.00 0.00 O ATOM 829 CB ASN A 53 1.173 -6.968 -11.435 1.00 0.00 C ATOM 830 CG ASN A 53 2.220 -6.042 -11.997 1.00 0.00 C ATOM 831 OD1 ASN A 53 3.313 -6.465 -12.359 1.00 0.00 O ATOM 832 ND2 ASN A 53 1.880 -4.770 -12.089 1.00 0.00 N ATOM 0 H ASN A 53 -0.975 -8.714 -11.377 1.00 0.00 H new ATOM 0 HA ASN A 53 0.041 -6.606 -13.201 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.616 -6.457 -10.650 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.656 -7.829 -10.974 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.538 -4.093 -12.474 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.959 -4.464 -11.775 1.00 0.00 H new ATOM 839 N ASN A 54 1.698 -8.351 -14.212 1.00 0.00 N ATOM 840 CA ASN A 54 2.286 -9.421 -15.009 1.00 0.00 C ATOM 841 C ASN A 54 3.226 -10.277 -14.163 1.00 0.00 C ATOM 842 O ASN A 54 3.328 -11.488 -14.365 1.00 0.00 O ATOM 843 CB ASN A 54 3.029 -8.844 -16.212 1.00 0.00 C ATOM 844 CG ASN A 54 3.513 -9.909 -17.178 1.00 0.00 C ATOM 845 OD1 ASN A 54 4.642 -10.387 -17.083 1.00 0.00 O ATOM 846 ND2 ASN A 54 2.659 -10.294 -18.115 1.00 0.00 N ATOM 0 H ASN A 54 2.034 -7.415 -14.438 1.00 0.00 H new ATOM 0 HA ASN A 54 1.479 -10.058 -15.371 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.372 -8.154 -16.741 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.883 -8.265 -15.861 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.930 -11.010 -18.789 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.731 -9.874 -18.162 1.00 0.00 H new ATOM 853 N LYS A 55 3.884 -9.653 -13.195 1.00 0.00 N ATOM 854 CA LYS A 55 4.871 -10.341 -12.383 1.00 0.00 C ATOM 855 C LYS A 55 4.331 -10.728 -11.005 1.00 0.00 C ATOM 856 O LYS A 55 5.081 -11.218 -10.157 1.00 0.00 O ATOM 857 CB LYS A 55 6.108 -9.459 -12.238 1.00 0.00 C ATOM 858 CG LYS A 55 5.805 -8.045 -11.768 1.00 0.00 C ATOM 859 CD LYS A 55 7.053 -7.175 -11.758 1.00 0.00 C ATOM 860 CE LYS A 55 6.720 -5.723 -11.454 1.00 0.00 C ATOM 861 NZ LYS A 55 7.931 -4.863 -11.472 1.00 0.00 N ATOM 0 H LYS A 55 3.750 -8.671 -12.955 1.00 0.00 H new ATOM 0 HA LYS A 55 5.130 -11.270 -12.891 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.795 -9.927 -11.532 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.622 -9.410 -13.198 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.055 -7.598 -12.420 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.377 -8.079 -10.766 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.754 -7.552 -11.013 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.550 -7.240 -12.726 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.002 -5.354 -12.186 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.242 -5.657 -10.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.662 -3.881 -11.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.606 -5.199 -10.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.373 -4.906 -12.412 1.00 0.00 H new ATOM 875 N GLY A 56 3.040 -10.520 -10.775 1.00 0.00 N ATOM 876 CA GLY A 56 2.460 -10.903 -9.499 1.00 0.00 C ATOM 877 C GLY A 56 1.142 -10.215 -9.214 1.00 0.00 C ATOM 878 O GLY A 56 0.423 -9.827 -10.135 1.00 0.00 O ATOM 0 H GLY A 56 2.390 -10.099 -11.439 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.310 -11.983 -9.485 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.165 -10.669 -8.701 1.00 0.00 H new ATOM 882 N LEU A 57 0.819 -10.078 -7.935 1.00 0.00 N ATOM 883 CA LEU A 57 -0.404 -9.423 -7.516 1.00 0.00 C ATOM 884 C LEU A 57 -0.118 -7.995 -7.073 1.00 0.00 C ATOM 885 O LEU A 57 0.942 -7.708 -6.513 1.00 0.00 O ATOM 886 CB LEU A 57 -1.057 -10.206 -6.379 1.00 0.00 C ATOM 887 CG LEU A 57 -1.551 -11.606 -6.752 1.00 0.00 C ATOM 888 CD1 LEU A 57 -2.234 -12.257 -5.562 1.00 0.00 C ATOM 889 CD2 LEU A 57 -2.499 -11.541 -7.942 1.00 0.00 C ATOM 0 H LEU A 57 1.396 -10.417 -7.166 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.090 -9.393 -8.363 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.340 -10.296 -5.563 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.901 -9.629 -6.000 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.691 -12.213 -7.034 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.581 -13.252 -5.841 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.527 -12.337 -4.736 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.085 -11.650 -5.254 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.839 -12.546 -8.192 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.358 -10.920 -7.689 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.979 -11.111 -8.798 1.00 0.00 H new ATOM 901 N SER A 58 -1.065 -7.105 -7.318 1.00 0.00 N ATOM 902 CA SER A 58 -0.878 -5.692 -7.030 1.00 0.00 C ATOM 903 C SER A 58 -2.174 -5.038 -6.568 1.00 0.00 C ATOM 904 O SER A 58 -3.247 -5.644 -6.620 1.00 0.00 O ATOM 905 CB SER A 58 -0.333 -4.977 -8.265 1.00 0.00 C ATOM 906 OG SER A 58 -0.872 -5.531 -9.451 1.00 0.00 O ATOM 0 H SER A 58 -1.975 -7.337 -7.717 1.00 0.00 H new ATOM 0 HA SER A 58 -0.158 -5.606 -6.216 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.576 -3.916 -8.212 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.754 -5.055 -8.284 1.00 0.00 H new ATOM 0 HG SER A 58 -1.803 -5.794 -9.295 1.00 0.00 H new ATOM 912 N ALA A 59 -2.063 -3.817 -6.077 1.00 0.00 N ATOM 913 CA ALA A 59 -3.228 -3.054 -5.664 1.00 0.00 C ATOM 914 C ALA A 59 -3.063 -1.586 -6.028 1.00 0.00 C ATOM 915 O ALA A 59 -1.942 -1.091 -6.152 1.00 0.00 O ATOM 916 CB ALA A 59 -3.463 -3.219 -4.175 1.00 0.00 C ATOM 0 H ALA A 59 -1.175 -3.331 -5.954 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.101 -3.436 -6.193 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.339 -2.642 -3.879 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.628 -4.272 -3.947 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.591 -2.862 -3.627 1.00 0.00 H new ATOM 922 N TYR A 60 -4.180 -0.895 -6.208 1.00 0.00 N ATOM 923 CA TYR A 60 -4.154 0.513 -6.572 1.00 0.00 C ATOM 924 C TYR A 60 -5.099 1.306 -5.689 1.00 0.00 C ATOM 925 O TYR A 60 -5.719 0.749 -4.779 1.00 0.00 O ATOM 926 CB TYR A 60 -4.540 0.712 -8.045 1.00 0.00 C ATOM 927 CG TYR A 60 -6.013 0.511 -8.344 1.00 0.00 C ATOM 928 CD1 TYR A 60 -6.604 -0.745 -8.282 1.00 0.00 C ATOM 929 CD2 TYR A 60 -6.814 1.594 -8.687 1.00 0.00 C ATOM 930 CE1 TYR A 60 -7.949 -0.914 -8.549 1.00 0.00 C ATOM 931 CE2 TYR A 60 -8.157 1.433 -8.958 1.00 0.00 C ATOM 932 CZ TYR A 60 -8.722 0.180 -8.886 1.00 0.00 C ATOM 933 OH TYR A 60 -10.063 0.023 -9.148 1.00 0.00 O ATOM 0 H TYR A 60 -5.116 -1.288 -6.108 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.136 0.873 -6.427 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.255 1.719 -8.349 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.961 0.019 -8.656 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.002 -1.603 -8.021 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.377 2.580 -8.742 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.394 -1.897 -8.494 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -8.762 2.286 -9.225 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.560 -0.008 -8.304 1.00 0.00 H new ATOM 943 N ALA A 61 -5.219 2.597 -5.990 1.00 0.00 N ATOM 944 CA ALA A 61 -6.073 3.512 -5.230 1.00 0.00 C ATOM 945 C ALA A 61 -5.783 3.422 -3.738 1.00 0.00 C ATOM 946 O ALA A 61 -6.696 3.272 -2.921 1.00 0.00 O ATOM 947 CB ALA A 61 -7.543 3.223 -5.510 1.00 0.00 C ATOM 0 H ALA A 61 -4.728 3.040 -6.767 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.851 4.529 -5.553 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.165 3.912 -4.938 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.743 3.352 -6.574 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.774 2.198 -5.219 1.00 0.00 H new ATOM 953 N VAL A 62 -4.509 3.524 -3.389 1.00 0.00 N ATOM 954 CA VAL A 62 -4.079 3.354 -2.011 1.00 0.00 C ATOM 955 C VAL A 62 -4.481 4.554 -1.163 1.00 0.00 C ATOM 956 O VAL A 62 -3.890 5.632 -1.261 1.00 0.00 O ATOM 957 CB VAL A 62 -2.556 3.148 -1.912 1.00 0.00 C ATOM 958 CG1 VAL A 62 -2.153 2.785 -0.489 1.00 0.00 C ATOM 959 CG2 VAL A 62 -2.093 2.085 -2.899 1.00 0.00 C ATOM 0 H VAL A 62 -3.753 3.724 -4.044 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.576 2.461 -1.632 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.065 4.086 -2.171 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.073 2.644 -0.441 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.444 3.588 0.188 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.653 1.863 -0.193 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.014 1.954 -2.813 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.592 1.141 -2.678 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.341 2.397 -3.913 1.00 0.00 H new ATOM 969 N LYS A 63 -5.506 4.361 -0.358 1.00 0.00 N ATOM 970 CA LYS A 63 -5.986 5.379 0.551 1.00 0.00 C ATOM 971 C LYS A 63 -5.536 5.061 1.968 1.00 0.00 C ATOM 972 O LYS A 63 -5.980 4.080 2.568 1.00 0.00 O ATOM 973 CB LYS A 63 -7.505 5.436 0.487 1.00 0.00 C ATOM 974 CG LYS A 63 -8.137 6.498 1.370 1.00 0.00 C ATOM 975 CD LYS A 63 -9.646 6.321 1.419 1.00 0.00 C ATOM 976 CE LYS A 63 -10.235 6.219 0.021 1.00 0.00 C ATOM 977 NZ LYS A 63 -11.661 5.806 0.051 1.00 0.00 N ATOM 0 H LYS A 63 -6.032 3.488 -0.317 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.576 6.347 0.262 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.805 5.615 -0.545 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.904 4.462 0.771 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.725 6.435 2.377 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.893 7.489 0.988 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.891 5.423 1.986 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.096 7.163 1.945 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.146 7.182 -0.482 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.661 5.500 -0.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.026 5.748 -0.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.743 4.875 0.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.214 6.505 0.587 1.00 0.00 H new ATOM 991 N VAL A 64 -4.646 5.884 2.489 1.00 0.00 N ATOM 992 CA VAL A 64 -4.152 5.708 3.845 1.00 0.00 C ATOM 993 C VAL A 64 -5.235 6.093 4.845 1.00 0.00 C ATOM 994 O VAL A 64 -5.995 7.037 4.612 1.00 0.00 O ATOM 995 CB VAL A 64 -2.875 6.545 4.097 1.00 0.00 C ATOM 996 CG1 VAL A 64 -2.343 6.320 5.505 1.00 0.00 C ATOM 997 CG2 VAL A 64 -1.811 6.207 3.065 1.00 0.00 C ATOM 0 H VAL A 64 -4.249 6.683 1.994 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.893 4.657 3.975 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.134 7.599 4.000 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.446 6.920 5.655 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.101 6.613 6.231 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.101 5.266 5.638 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.918 6.803 3.254 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.562 5.148 3.133 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.189 6.427 2.067 1.00 0.00 H new ATOM 1007 N VAL A 65 -5.313 5.345 5.938 1.00 0.00 N ATOM 1008 CA VAL A 65 -6.323 5.560 6.965 1.00 0.00 C ATOM 1009 C VAL A 65 -5.712 6.224 8.202 1.00 0.00 C ATOM 1010 O VAL A 65 -5.228 5.542 9.106 1.00 0.00 O ATOM 1011 CB VAL A 65 -7.006 4.235 7.367 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -8.056 4.465 8.444 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -7.624 3.562 6.149 1.00 0.00 C ATOM 0 H VAL A 65 -4.678 4.572 6.137 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.078 6.224 6.544 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.244 3.573 7.778 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.521 3.515 8.708 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.583 4.895 9.327 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.817 5.150 8.070 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.101 2.630 6.451 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.369 4.224 5.706 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.845 3.350 5.416 1.00 0.00 H new ATOM 1023 N PRO A 66 -5.670 7.565 8.236 1.00 0.00 N ATOM 1024 CA PRO A 66 -5.126 8.300 9.371 1.00 0.00 C ATOM 1025 C PRO A 66 -6.092 8.282 10.549 1.00 0.00 C ATOM 1026 O PRO A 66 -7.248 8.687 10.419 1.00 0.00 O ATOM 1027 CB PRO A 66 -4.954 9.735 8.844 1.00 0.00 C ATOM 1028 CG PRO A 66 -5.299 9.684 7.389 1.00 0.00 C ATOM 1029 CD PRO A 66 -6.166 8.473 7.202 1.00 0.00 C ATOM 0 HA PRO A 66 -4.194 7.866 9.733 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -5.607 10.427 9.376 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.932 10.085 8.991 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.824 10.589 7.082 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.399 9.615 6.778 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.222 8.705 7.339 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.060 8.048 6.204 1.00 0.00 H new ATOM 1037 N LEU A 67 -5.617 7.807 11.689 1.00 0.00 N ATOM 1038 CA LEU A 67 -6.448 7.715 12.879 1.00 0.00 C ATOM 1039 C LEU A 67 -6.760 9.103 13.420 1.00 0.00 C ATOM 1040 O LEU A 67 -7.918 9.513 13.483 1.00 0.00 O ATOM 1041 CB LEU A 67 -5.749 6.872 13.946 1.00 0.00 C ATOM 1042 CG LEU A 67 -5.410 5.442 13.520 1.00 0.00 C ATOM 1043 CD1 LEU A 67 -4.650 4.720 14.619 1.00 0.00 C ATOM 1044 CD2 LEU A 67 -6.676 4.677 13.164 1.00 0.00 C ATOM 0 H LEU A 67 -4.660 7.479 11.816 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.387 7.232 12.611 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.828 7.376 14.240 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.386 6.831 14.830 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.774 5.492 12.637 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.419 3.705 14.295 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.723 5.253 14.831 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.262 4.683 15.520 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.415 3.662 12.863 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.335 4.641 14.031 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.186 5.179 12.342 1.00 0.00 H new ATOM 1056 N GLU A 68 -5.722 9.828 13.797 1.00 0.00 N ATOM 1057 CA GLU A 68 -5.882 11.176 14.298 1.00 0.00 C ATOM 1058 C GLU A 68 -5.199 12.169 13.374 1.00 0.00 C ATOM 1059 O GLU A 68 -4.254 11.819 12.664 1.00 0.00 O ATOM 1060 CB GLU A 68 -5.274 11.293 15.692 1.00 0.00 C ATOM 1061 CG GLU A 68 -5.887 10.361 16.720 1.00 0.00 C ATOM 1062 CD GLU A 68 -5.256 10.528 18.083 1.00 0.00 C ATOM 1063 OE1 GLU A 68 -4.136 10.012 18.295 1.00 0.00 O ATOM 1064 OE2 GLU A 68 -5.871 11.187 18.946 1.00 0.00 O ATOM 0 H GLU A 68 -4.756 9.501 13.764 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.948 11.399 14.343 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.205 11.091 15.628 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.384 12.320 16.039 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.958 10.553 16.790 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.769 9.329 16.390 1.00 0.00 H new ATOM 1071 N HIS A 69 -5.679 13.401 13.374 1.00 0.00 N ATOM 1072 CA HIS A 69 -4.986 14.474 12.681 1.00 0.00 C ATOM 1073 C HIS A 69 -3.912 15.017 13.608 1.00 0.00 C ATOM 1074 O HIS A 69 -4.200 15.369 14.749 1.00 0.00 O ATOM 1075 CB HIS A 69 -5.954 15.587 12.263 1.00 0.00 C ATOM 1076 CG HIS A 69 -7.027 15.131 11.317 1.00 0.00 C ATOM 1077 ND1 HIS A 69 -6.870 15.118 9.947 1.00 0.00 N ATOM 1078 CD2 HIS A 69 -8.280 14.670 11.550 1.00 0.00 C ATOM 1079 CE1 HIS A 69 -7.976 14.671 9.383 1.00 0.00 C ATOM 1080 NE2 HIS A 69 -8.846 14.389 10.332 1.00 0.00 N ATOM 0 H HIS A 69 -6.540 13.682 13.843 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.536 14.087 11.767 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -6.422 16.003 13.155 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -5.388 16.392 11.795 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -8.747 14.547 12.516 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -8.141 14.556 8.322 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -9.786 14.022 10.185 1.00 0.00 H new ATOM 1089 N HIS A 70 -2.676 15.061 13.135 1.00 0.00 N ATOM 1090 CA HIS A 70 -1.547 15.402 13.995 1.00 0.00 C ATOM 1091 C HIS A 70 -1.402 16.917 14.161 1.00 0.00 C ATOM 1092 O HIS A 70 -0.355 17.488 13.858 1.00 0.00 O ATOM 1093 CB HIS A 70 -0.260 14.791 13.430 1.00 0.00 C ATOM 1094 CG HIS A 70 0.920 14.909 14.346 1.00 0.00 C ATOM 1095 ND1 HIS A 70 2.047 15.627 14.023 1.00 0.00 N ATOM 1096 CD2 HIS A 70 1.148 14.386 15.575 1.00 0.00 C ATOM 1097 CE1 HIS A 70 2.919 15.542 15.009 1.00 0.00 C ATOM 1098 NE2 HIS A 70 2.399 14.795 15.963 1.00 0.00 N ATOM 0 H HIS A 70 -2.427 14.866 12.165 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.735 14.986 14.985 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.435 13.737 13.212 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.023 15.277 12.484 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.472 13.764 16.143 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.894 16.006 15.031 1.00 0.00 H new ATOM 0 HE2 HIS A 70 2.853 14.560 16.846 1.00 0.00 H new ATOM 1107 N HIS A 71 -2.475 17.554 14.627 1.00 0.00 N ATOM 1108 CA HIS A 71 -2.494 18.988 14.961 1.00 0.00 C ATOM 1109 C HIS A 71 -2.402 19.884 13.717 1.00 0.00 C ATOM 1110 O HIS A 71 -2.920 21.001 13.713 1.00 0.00 O ATOM 1111 CB HIS A 71 -1.370 19.327 15.945 1.00 0.00 C ATOM 1112 CG HIS A 71 -1.584 20.611 16.683 1.00 0.00 C ATOM 1113 ND1 HIS A 71 -0.852 21.752 16.445 1.00 0.00 N ATOM 1114 CD2 HIS A 71 -2.453 20.924 17.671 1.00 0.00 C ATOM 1115 CE1 HIS A 71 -1.256 22.709 17.257 1.00 0.00 C ATOM 1116 NE2 HIS A 71 -2.227 22.234 18.009 1.00 0.00 N ATOM 0 H HIS A 71 -3.369 17.089 14.787 1.00 0.00 H new ATOM 0 HA HIS A 71 -3.456 19.190 15.432 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.273 18.515 16.666 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -0.427 19.384 15.401 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -3.187 20.266 18.111 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.858 23.712 17.298 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -2.730 22.756 18.727 1.00 0.00 H new ATOM 1125 N HIS A 72 -1.723 19.406 12.682 1.00 0.00 N ATOM 1126 CA HIS A 72 -1.619 20.132 11.423 1.00 0.00 C ATOM 1127 C HIS A 72 -2.970 20.130 10.714 1.00 0.00 C ATOM 1128 O HIS A 72 -3.353 19.149 10.071 1.00 0.00 O ATOM 1129 CB HIS A 72 -0.532 19.510 10.539 1.00 0.00 C ATOM 1130 CG HIS A 72 -0.307 20.226 9.241 1.00 0.00 C ATOM 1131 ND1 HIS A 72 0.267 21.477 9.156 1.00 0.00 N ATOM 1132 CD2 HIS A 72 -0.580 19.856 7.967 1.00 0.00 C ATOM 1133 CE1 HIS A 72 0.338 21.843 7.891 1.00 0.00 C ATOM 1134 NE2 HIS A 72 -0.168 20.879 7.150 1.00 0.00 N ATOM 0 H HIS A 72 -1.233 18.512 12.691 1.00 0.00 H new ATOM 0 HA HIS A 72 -1.336 21.165 11.625 1.00 0.00 H new ATOM 0 HB2 HIS A 72 0.405 19.489 11.096 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.800 18.475 10.328 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -1.037 18.929 7.653 1.00 0.00 H new ATOM 0 HE1 HIS A 72 0.742 22.775 7.525 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -0.242 20.891 6.133 1.00 0.00 H new ATOM 1143 N HIS A 73 -3.686 21.232 10.854 1.00 0.00 N ATOM 1144 CA HIS A 73 -5.051 21.342 10.371 1.00 0.00 C ATOM 1145 C HIS A 73 -5.125 22.328 9.210 1.00 0.00 C ATOM 1146 O HIS A 73 -4.343 23.278 9.141 1.00 0.00 O ATOM 1147 CB HIS A 73 -5.953 21.801 11.527 1.00 0.00 C ATOM 1148 CG HIS A 73 -7.413 21.881 11.193 1.00 0.00 C ATOM 1149 ND1 HIS A 73 -8.028 23.046 10.802 1.00 0.00 N ATOM 1150 CD2 HIS A 73 -8.378 20.935 11.212 1.00 0.00 C ATOM 1151 CE1 HIS A 73 -9.310 22.814 10.595 1.00 0.00 C ATOM 1152 NE2 HIS A 73 -9.549 21.540 10.837 1.00 0.00 N ATOM 0 H HIS A 73 -3.337 22.077 11.306 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.391 20.371 10.010 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.823 21.115 12.364 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -5.617 22.782 11.863 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -8.250 19.895 11.474 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -10.041 23.544 10.280 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -10.456 21.080 10.758 1.00 0.00 H new ATOM 1161 N HIS A 74 -6.053 22.090 8.294 1.00 0.00 N ATOM 1162 CA HIS A 74 -6.264 22.991 7.169 1.00 0.00 C ATOM 1163 C HIS A 74 -7.489 23.853 7.436 1.00 0.00 C ATOM 1164 O HIS A 74 -8.608 23.422 7.083 1.00 0.00 O ATOM 1165 CB HIS A 74 -6.453 22.209 5.862 1.00 0.00 C ATOM 1166 CG HIS A 74 -5.270 21.382 5.459 1.00 0.00 C ATOM 1167 ND1 HIS A 74 -4.361 21.781 4.505 1.00 0.00 N ATOM 1168 CD2 HIS A 74 -4.859 20.160 5.875 1.00 0.00 C ATOM 1169 CE1 HIS A 74 -3.446 20.845 4.350 1.00 0.00 C ATOM 1170 NE2 HIS A 74 -3.725 19.852 5.171 1.00 0.00 N ATOM 1171 OXT HIS A 74 -7.337 24.935 8.035 1.00 0.00 O ATOM 0 H HIS A 74 -6.673 21.280 8.308 1.00 0.00 H new ATOM 0 HA HIS A 74 -5.382 23.623 7.061 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -7.319 21.556 5.966 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -6.679 22.913 5.061 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -5.336 19.544 6.622 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -2.610 20.885 3.667 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -3.184 18.993 5.267 1.00 0.00 H new TER 1180 HIS A 74