USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 487 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 139 HIS : no HD1:sc= -0.274 K(o=-3.4,f=-1.4) USER MOD Set 1.2: A 141 ASN : amide:sc= -3.13! K(o=-3.4!,f=-1.4) USER MOD Single : A 136 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 180:sc= 0.0338 USER MOD Single : A 145 GLN : amide:sc= -8.62! C(o=-8.6!,f=-8.7!) USER MOD Single : A 147 ASN : amide:sc= 0.409 K(o=0.41,f=-0.7) USER MOD Single : A 149 TYR OH : rot -102:sc= 0.0299 USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 151 HIS : no HD1:sc= -8.51! C(o=-8.5!,f=-10!) USER MOD Single : A 153 LYS NZ :NH3+ 158:sc= -0.0456 (180deg=-0.381) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 GLN : amide:sc= -0.0577 X(o=-0.058,f=-0.04) USER MOD Single : A 161 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 THR OG1 : rot 180:sc= 0 USER MOD Single : A 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 LYS NZ :NH3+ -163:sc= 0.0554 (180deg=0.0124) USER MOD Single : A 165 SER OG : rot 170:sc= -1.12! USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 ASN : amide:sc= -2.1 K(o=-2.1,f=-0.24) USER MOD Single : A 169 LYS NZ :NH3+ 156:sc= -0.124 (180deg=-0.704) USER MOD Single : A 171 MET CE :methyl 162:sc= -0.773 (180deg=-1.55!) USER MOD Single : A 175 SER OG : rot 180:sc= 0 USER MOD Single : A 186 MET CE :methyl -173:sc=-0.00889 (180deg=-0.0786) USER MOD Single : A 188 THR OG1 : rot 180:sc= -0.596 USER MOD Single : A 197 ASN : amide:sc= -0.0784 K(o=-0.078,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 133 20.669 -1.332 4.321 1.00 0.00 N ATOM 2 CA GLU A 133 19.505 -0.723 3.619 1.00 0.00 C ATOM 3 C GLU A 133 18.676 -1.824 2.964 1.00 0.00 C ATOM 4 O GLU A 133 19.219 -2.812 2.469 1.00 0.00 O ATOM 5 CB GLU A 133 20.007 0.254 2.554 1.00 0.00 C ATOM 6 CG GLU A 133 18.818 0.985 1.929 1.00 0.00 C ATOM 7 CD GLU A 133 19.314 2.053 0.961 1.00 0.00 C ATOM 8 OE1 GLU A 133 19.736 1.691 -0.126 1.00 0.00 O ATOM 9 OE2 GLU A 133 19.263 3.218 1.318 1.00 0.00 O ATOM 0 HA GLU A 133 18.885 -0.184 4.335 1.00 0.00 H new ATOM 0 HB2 GLU A 133 20.695 0.972 3.000 1.00 0.00 H new ATOM 0 HB3 GLU A 133 20.562 -0.284 1.785 1.00 0.00 H new ATOM 0 HG2 GLU A 133 18.179 0.275 1.404 1.00 0.00 H new ATOM 0 HG3 GLU A 133 18.211 1.443 2.710 1.00 0.00 H new ATOM 18 N ALA A 134 17.359 -1.646 2.967 1.00 0.00 N ATOM 19 CA ALA A 134 16.463 -2.631 2.371 1.00 0.00 C ATOM 20 C ALA A 134 15.040 -2.090 2.307 1.00 0.00 C ATOM 21 O ALA A 134 14.730 -1.059 2.903 1.00 0.00 O ATOM 22 CB ALA A 134 16.485 -3.921 3.193 1.00 0.00 C ATOM 0 H ALA A 134 16.891 -0.835 3.372 1.00 0.00 H new ATOM 0 HA ALA A 134 16.805 -2.841 1.358 1.00 0.00 H new ATOM 0 HB1 ALA A 134 15.814 -4.651 2.742 1.00 0.00 H new ATOM 0 HB2 ALA A 134 17.498 -4.323 3.213 1.00 0.00 H new ATOM 0 HB3 ALA A 134 16.159 -3.709 4.211 1.00 0.00 H new ATOM 28 N CYS A 135 14.176 -2.791 1.579 1.00 0.00 N ATOM 29 CA CYS A 135 12.787 -2.369 1.446 1.00 0.00 C ATOM 30 C CYS A 135 12.098 -2.362 2.806 1.00 0.00 C ATOM 31 O CYS A 135 12.491 -3.092 3.716 1.00 0.00 O ATOM 32 CB CYS A 135 12.049 -3.304 0.483 1.00 0.00 C ATOM 33 SG CYS A 135 12.655 -3.024 -1.201 1.00 0.00 S ATOM 0 H CYS A 135 14.411 -3.647 1.076 1.00 0.00 H new ATOM 0 HA CYS A 135 12.765 -1.356 1.045 1.00 0.00 H new ATOM 0 HB2 CYS A 135 12.209 -4.343 0.772 1.00 0.00 H new ATOM 0 HB3 CYS A 135 10.975 -3.121 0.531 1.00 0.00 H new ATOM 38 N GLN A 136 11.070 -1.522 2.942 1.00 0.00 N ATOM 39 CA GLN A 136 10.325 -1.409 4.200 1.00 0.00 C ATOM 40 C GLN A 136 8.857 -1.741 3.976 1.00 0.00 C ATOM 41 O GLN A 136 8.352 -1.630 2.861 1.00 0.00 O ATOM 42 CB GLN A 136 10.446 0.015 4.747 1.00 0.00 C ATOM 43 CG GLN A 136 11.903 0.294 5.125 1.00 0.00 C ATOM 44 CD GLN A 136 12.047 1.729 5.619 1.00 0.00 C ATOM 45 OE1 GLN A 136 11.341 2.145 6.538 1.00 0.00 O ATOM 46 NE2 GLN A 136 12.927 2.516 5.061 1.00 0.00 N ATOM 0 H GLN A 136 10.734 -0.910 2.198 1.00 0.00 H new ATOM 0 HA GLN A 136 10.744 -2.114 4.918 1.00 0.00 H new ATOM 0 HB2 GLN A 136 10.109 0.733 3.999 1.00 0.00 H new ATOM 0 HB3 GLN A 136 9.803 0.137 5.619 1.00 0.00 H new ATOM 0 HG2 GLN A 136 12.226 -0.401 5.901 1.00 0.00 H new ATOM 0 HG3 GLN A 136 12.549 0.131 4.262 1.00 0.00 H new ATOM 0 HE21 GLN A 136 13.511 2.170 4.300 1.00 0.00 H new ATOM 0 HE22 GLN A 136 13.030 3.477 5.386 1.00 0.00 H new ATOM 55 N PHE A 137 8.174 -2.156 5.043 1.00 0.00 N ATOM 56 CA PHE A 137 6.756 -2.514 4.955 1.00 0.00 C ATOM 57 C PHE A 137 5.895 -1.491 5.698 1.00 0.00 C ATOM 58 O PHE A 137 6.241 -1.049 6.793 1.00 0.00 O ATOM 59 CB PHE A 137 6.542 -3.912 5.553 1.00 0.00 C ATOM 60 CG PHE A 137 5.061 -4.208 5.681 1.00 0.00 C ATOM 61 CD1 PHE A 137 4.231 -4.139 4.554 1.00 0.00 C ATOM 62 CD2 PHE A 137 4.516 -4.549 6.927 1.00 0.00 C ATOM 63 CE1 PHE A 137 2.867 -4.408 4.671 1.00 0.00 C ATOM 64 CE2 PHE A 137 3.148 -4.820 7.043 1.00 0.00 C ATOM 65 CZ PHE A 137 2.322 -4.751 5.916 1.00 0.00 C ATOM 0 H PHE A 137 8.577 -2.253 5.975 1.00 0.00 H new ATOM 0 HA PHE A 137 6.458 -2.517 3.906 1.00 0.00 H new ATOM 0 HB2 PHE A 137 7.016 -4.662 4.920 1.00 0.00 H new ATOM 0 HB3 PHE A 137 7.018 -3.973 6.532 1.00 0.00 H new ATOM 0 HD1 PHE A 137 4.648 -3.877 3.593 1.00 0.00 H new ATOM 0 HD2 PHE A 137 5.152 -4.603 7.798 1.00 0.00 H new ATOM 0 HE1 PHE A 137 2.230 -4.352 3.801 1.00 0.00 H new ATOM 0 HE2 PHE A 137 2.730 -5.083 8.003 1.00 0.00 H new ATOM 0 HZ PHE A 137 1.266 -4.962 6.005 1.00 0.00 H new ATOM 75 N SER A 138 4.768 -1.124 5.087 1.00 0.00 N ATOM 76 CA SER A 138 3.849 -0.156 5.685 1.00 0.00 C ATOM 77 C SER A 138 2.412 -0.464 5.274 1.00 0.00 C ATOM 78 O SER A 138 2.137 -0.744 4.107 1.00 0.00 O ATOM 79 CB SER A 138 4.221 1.256 5.234 1.00 0.00 C ATOM 80 OG SER A 138 3.601 2.203 6.094 1.00 0.00 O ATOM 0 H SER A 138 4.470 -1.482 4.180 1.00 0.00 H new ATOM 0 HA SER A 138 3.927 -0.223 6.770 1.00 0.00 H new ATOM 0 HB2 SER A 138 5.303 1.383 5.254 1.00 0.00 H new ATOM 0 HB3 SER A 138 3.900 1.418 4.205 1.00 0.00 H new ATOM 0 HG SER A 138 3.839 3.110 5.808 1.00 0.00 H new ATOM 86 N HIS A 139 1.496 -0.413 6.243 1.00 0.00 N ATOM 87 CA HIS A 139 0.078 -0.692 5.983 1.00 0.00 C ATOM 88 C HIS A 139 -0.813 0.372 6.618 1.00 0.00 C ATOM 89 O HIS A 139 -0.395 1.094 7.523 1.00 0.00 O ATOM 90 CB HIS A 139 -0.299 -2.067 6.538 1.00 0.00 C ATOM 91 CG HIS A 139 -0.207 -2.047 8.038 1.00 0.00 C ATOM 92 ND1 HIS A 139 0.948 -2.407 8.715 1.00 0.00 N ATOM 93 CD2 HIS A 139 -1.121 -1.711 9.006 1.00 0.00 C ATOM 94 CE1 HIS A 139 0.702 -2.279 10.032 1.00 0.00 C ATOM 95 NE2 HIS A 139 -0.544 -1.858 10.264 1.00 0.00 N ATOM 0 H HIS A 139 1.708 -0.182 7.214 1.00 0.00 H new ATOM 0 HA HIS A 139 -0.075 -0.679 4.904 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -1.311 -2.330 6.229 1.00 0.00 H new ATOM 0 HB3 HIS A 139 0.367 -2.829 6.133 1.00 0.00 H new ATOM 0 HD2 HIS A 139 -2.133 -1.383 8.820 1.00 0.00 H new ATOM 0 HE1 HIS A 139 1.424 -2.491 10.807 1.00 0.00 H new ATOM 0 HE2 HIS A 139 -0.980 -1.682 11.169 1.00 0.00 H new ATOM 104 N VAL A 140 -2.051 0.460 6.127 1.00 0.00 N ATOM 105 CA VAL A 140 -3.021 1.436 6.634 1.00 0.00 C ATOM 106 C VAL A 140 -4.384 0.766 6.812 1.00 0.00 C ATOM 107 O VAL A 140 -5.004 0.342 5.839 1.00 0.00 O ATOM 108 CB VAL A 140 -3.128 2.602 5.640 1.00 0.00 C ATOM 109 CG1 VAL A 140 -4.322 3.496 5.989 1.00 0.00 C ATOM 110 CG2 VAL A 140 -1.846 3.437 5.701 1.00 0.00 C ATOM 0 H VAL A 140 -2.407 -0.133 5.378 1.00 0.00 H new ATOM 0 HA VAL A 140 -2.691 1.816 7.601 1.00 0.00 H new ATOM 0 HB VAL A 140 -3.268 2.197 4.638 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -4.383 4.317 5.275 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -5.240 2.910 5.947 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -4.194 3.898 6.994 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -1.918 4.266 4.997 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -1.714 3.828 6.710 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -0.992 2.812 5.440 1.00 0.00 H new ATOM 120 N ASN A 141 -4.846 0.665 8.061 1.00 0.00 N ATOM 121 CA ASN A 141 -6.137 0.027 8.341 1.00 0.00 C ATOM 122 C ASN A 141 -6.810 0.640 9.574 1.00 0.00 C ATOM 123 O ASN A 141 -6.228 0.669 10.658 1.00 0.00 O ATOM 124 CB ASN A 141 -5.929 -1.476 8.567 1.00 0.00 C ATOM 125 CG ASN A 141 -5.278 -1.731 9.924 1.00 0.00 C ATOM 126 OD1 ASN A 141 -4.071 -1.954 10.005 1.00 0.00 O ATOM 127 ND2 ASN A 141 -6.012 -1.711 11.002 1.00 0.00 N ATOM 0 H ASN A 141 -4.354 1.011 8.885 1.00 0.00 H new ATOM 0 HA ASN A 141 -6.788 0.191 7.482 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -6.887 -1.993 8.515 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -5.302 -1.885 7.774 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -5.585 -1.880 11.913 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -7.013 -1.526 10.934 1.00 0.00 H new ATOM 134 N SER A 142 -8.052 1.105 9.405 1.00 0.00 N ATOM 135 CA SER A 142 -8.815 1.687 10.515 1.00 0.00 C ATOM 136 C SER A 142 -10.271 1.231 10.443 1.00 0.00 C ATOM 137 O SER A 142 -10.650 0.474 9.548 1.00 0.00 O ATOM 138 CB SER A 142 -8.743 3.218 10.486 1.00 0.00 C ATOM 139 OG SER A 142 -9.013 3.722 11.788 1.00 0.00 O ATOM 0 H SER A 142 -8.549 1.090 8.514 1.00 0.00 H new ATOM 0 HA SER A 142 -8.376 1.342 11.451 1.00 0.00 H new ATOM 0 HB2 SER A 142 -7.756 3.542 10.155 1.00 0.00 H new ATOM 0 HB3 SER A 142 -9.465 3.615 9.772 1.00 0.00 H new ATOM 0 HG SER A 142 -8.967 4.701 11.776 1.00 0.00 H new ATOM 145 N ARG A 143 -11.079 1.688 11.391 1.00 0.00 N ATOM 146 CA ARG A 143 -12.488 1.313 11.429 1.00 0.00 C ATOM 147 C ARG A 143 -13.285 2.020 10.331 1.00 0.00 C ATOM 148 O ARG A 143 -14.193 1.435 9.742 1.00 0.00 O ATOM 149 CB ARG A 143 -13.082 1.662 12.795 1.00 0.00 C ATOM 150 CG ARG A 143 -12.100 1.258 13.898 1.00 0.00 C ATOM 151 CD ARG A 143 -11.731 -0.220 13.748 1.00 0.00 C ATOM 152 NE ARG A 143 -11.145 -0.722 14.984 1.00 0.00 N ATOM 153 CZ ARG A 143 -11.887 -0.909 16.070 1.00 0.00 C ATOM 154 NH1 ARG A 143 -13.165 -0.642 16.042 1.00 0.00 N ATOM 155 NH2 ARG A 143 -11.339 -1.360 17.166 1.00 0.00 N ATOM 0 H ARG A 143 -10.786 2.315 12.140 1.00 0.00 H new ATOM 0 HA ARG A 143 -12.552 0.238 11.260 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -13.289 2.731 12.851 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -14.032 1.146 12.933 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -11.202 1.874 13.842 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -12.546 1.433 14.877 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -12.619 -0.800 13.497 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -11.026 -0.344 12.926 1.00 0.00 H new ATOM 0 HE ARG A 143 -10.148 -0.934 15.016 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -13.594 -0.290 15.186 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -13.734 -0.786 16.876 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -10.341 -1.569 17.189 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -11.909 -1.503 18.000 1.00 0.00 H new ATOM 169 N ASP A 144 -12.955 3.286 10.075 1.00 0.00 N ATOM 170 CA ASP A 144 -13.664 4.069 9.058 1.00 0.00 C ATOM 171 C ASP A 144 -12.964 3.999 7.702 1.00 0.00 C ATOM 172 O ASP A 144 -13.588 4.213 6.664 1.00 0.00 O ATOM 173 CB ASP A 144 -13.751 5.530 9.504 1.00 0.00 C ATOM 174 CG ASP A 144 -14.608 6.323 8.524 1.00 0.00 C ATOM 175 OD1 ASP A 144 -15.664 5.834 8.160 1.00 0.00 O ATOM 176 OD2 ASP A 144 -14.195 7.409 8.153 1.00 0.00 O ATOM 0 H ASP A 144 -12.208 3.790 10.553 1.00 0.00 H new ATOM 0 HA ASP A 144 -14.662 3.646 8.948 1.00 0.00 H new ATOM 0 HB2 ASP A 144 -14.179 5.589 10.505 1.00 0.00 H new ATOM 0 HB3 ASP A 144 -12.752 5.962 9.559 1.00 0.00 H new ATOM 181 N GLN A 145 -11.669 3.710 7.715 1.00 0.00 N ATOM 182 CA GLN A 145 -10.901 3.630 6.476 1.00 0.00 C ATOM 183 C GLN A 145 -11.484 2.563 5.542 1.00 0.00 C ATOM 184 O GLN A 145 -10.934 1.471 5.419 1.00 0.00 O ATOM 185 CB GLN A 145 -9.433 3.308 6.806 1.00 0.00 C ATOM 186 CG GLN A 145 -8.652 4.601 7.089 1.00 0.00 C ATOM 187 CD GLN A 145 -7.174 4.289 7.285 1.00 0.00 C ATOM 188 OE1 GLN A 145 -6.314 5.007 6.775 1.00 0.00 O ATOM 189 NE2 GLN A 145 -6.830 3.258 7.998 1.00 0.00 N ATOM 0 H GLN A 145 -11.130 3.528 8.562 1.00 0.00 H new ATOM 0 HA GLN A 145 -10.955 4.590 5.963 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -9.385 2.649 7.673 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -8.975 2.774 5.974 1.00 0.00 H new ATOM 0 HG2 GLN A 145 -8.777 5.299 6.261 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -9.050 5.088 7.979 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -7.547 2.666 8.418 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -5.843 3.041 8.137 1.00 0.00 H new ATOM 198 N CYS A 146 -12.595 2.901 4.883 1.00 0.00 N ATOM 199 CA CYS A 146 -13.269 1.987 3.950 1.00 0.00 C ATOM 200 C CYS A 146 -13.292 2.597 2.541 1.00 0.00 C ATOM 201 O CYS A 146 -14.072 3.508 2.267 1.00 0.00 O ATOM 202 CB CYS A 146 -14.701 1.739 4.453 1.00 0.00 C ATOM 203 SG CYS A 146 -15.555 0.549 3.393 1.00 0.00 S ATOM 0 H CYS A 146 -13.052 3.808 4.978 1.00 0.00 H new ATOM 0 HA CYS A 146 -12.731 1.040 3.901 1.00 0.00 H new ATOM 0 HB2 CYS A 146 -14.672 1.366 5.477 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -15.253 2.679 4.471 1.00 0.00 H new ATOM 208 N ASN A 147 -12.411 2.100 1.658 1.00 0.00 N ATOM 209 CA ASN A 147 -12.314 2.614 0.281 1.00 0.00 C ATOM 210 C ASN A 147 -12.216 1.474 -0.740 1.00 0.00 C ATOM 211 O ASN A 147 -11.971 0.324 -0.378 1.00 0.00 O ATOM 212 CB ASN A 147 -11.080 3.512 0.153 1.00 0.00 C ATOM 213 CG ASN A 147 -10.979 4.433 1.364 1.00 0.00 C ATOM 214 OD1 ASN A 147 -11.430 5.577 1.316 1.00 0.00 O ATOM 215 ND2 ASN A 147 -10.408 3.999 2.455 1.00 0.00 N ATOM 0 H ASN A 147 -11.758 1.346 1.871 1.00 0.00 H new ATOM 0 HA ASN A 147 -13.219 3.184 0.072 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -10.181 2.900 0.075 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -11.143 4.104 -0.760 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -10.335 4.608 3.270 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -10.035 3.050 2.493 1.00 0.00 H new ATOM 222 N ASP A 148 -12.415 1.809 -2.020 1.00 0.00 N ATOM 223 CA ASP A 148 -12.356 0.814 -3.096 1.00 0.00 C ATOM 224 C ASP A 148 -10.918 0.417 -3.425 1.00 0.00 C ATOM 225 O ASP A 148 -9.970 1.134 -3.107 1.00 0.00 O ATOM 226 CB ASP A 148 -13.044 1.358 -4.352 1.00 0.00 C ATOM 227 CG ASP A 148 -12.568 2.775 -4.645 1.00 0.00 C ATOM 228 OD1 ASP A 148 -11.590 2.915 -5.359 1.00 0.00 O ATOM 229 OD2 ASP A 148 -13.193 3.700 -4.150 1.00 0.00 O ATOM 0 H ASP A 148 -12.618 2.758 -2.335 1.00 0.00 H new ATOM 0 HA ASP A 148 -12.877 -0.078 -2.748 1.00 0.00 H new ATOM 0 HB2 ASP A 148 -12.827 0.711 -5.202 1.00 0.00 H new ATOM 0 HB3 ASP A 148 -14.125 1.352 -4.214 1.00 0.00 H new ATOM 234 N TYR A 149 -10.778 -0.744 -4.064 1.00 0.00 N ATOM 235 CA TYR A 149 -9.466 -1.262 -4.441 1.00 0.00 C ATOM 236 C TYR A 149 -8.625 -0.180 -5.113 1.00 0.00 C ATOM 237 O TYR A 149 -7.536 0.154 -4.645 1.00 0.00 O ATOM 238 CB TYR A 149 -9.642 -2.439 -5.406 1.00 0.00 C ATOM 239 CG TYR A 149 -8.317 -3.132 -5.631 1.00 0.00 C ATOM 240 CD1 TYR A 149 -7.917 -4.173 -4.782 1.00 0.00 C ATOM 241 CD2 TYR A 149 -7.492 -2.740 -6.693 1.00 0.00 C ATOM 242 CE1 TYR A 149 -6.692 -4.819 -4.995 1.00 0.00 C ATOM 243 CE2 TYR A 149 -6.269 -3.385 -6.905 1.00 0.00 C ATOM 244 CZ TYR A 149 -5.869 -4.425 -6.057 1.00 0.00 C ATOM 245 OH TYR A 149 -4.662 -5.061 -6.266 1.00 0.00 O ATOM 0 H TYR A 149 -11.559 -1.343 -4.331 1.00 0.00 H new ATOM 0 HA TYR A 149 -8.952 -1.591 -3.538 1.00 0.00 H new ATOM 0 HB2 TYR A 149 -10.366 -3.146 -5.001 1.00 0.00 H new ATOM 0 HB3 TYR A 149 -10.041 -2.083 -6.356 1.00 0.00 H new ATOM 0 HD1 TYR A 149 -8.553 -4.477 -3.964 1.00 0.00 H new ATOM 0 HD2 TYR A 149 -7.800 -1.939 -7.349 1.00 0.00 H new ATOM 0 HE1 TYR A 149 -6.383 -5.620 -4.340 1.00 0.00 H new ATOM 0 HE2 TYR A 149 -5.633 -3.081 -7.723 1.00 0.00 H new ATOM 0 HH TYR A 149 -3.933 -4.496 -5.935 1.00 0.00 H new ATOM 255 N GLN A 150 -9.135 0.358 -6.216 1.00 0.00 N ATOM 256 CA GLN A 150 -8.422 1.396 -6.950 1.00 0.00 C ATOM 257 C GLN A 150 -8.061 2.557 -6.029 1.00 0.00 C ATOM 258 O GLN A 150 -6.917 3.011 -6.007 1.00 0.00 O ATOM 259 CB GLN A 150 -9.282 1.905 -8.106 1.00 0.00 C ATOM 260 CG GLN A 150 -8.555 3.047 -8.829 1.00 0.00 C ATOM 261 CD GLN A 150 -9.120 3.224 -10.230 1.00 0.00 C ATOM 262 OE1 GLN A 150 -9.954 4.100 -10.463 1.00 0.00 O ATOM 263 NE2 GLN A 150 -8.710 2.437 -11.180 1.00 0.00 N ATOM 0 H GLN A 150 -10.034 0.094 -6.619 1.00 0.00 H new ATOM 0 HA GLN A 150 -7.502 0.965 -7.346 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -9.488 1.093 -8.804 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -10.244 2.254 -7.730 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -8.665 3.973 -8.265 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -7.488 2.832 -8.884 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -8.019 1.714 -10.980 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -9.079 2.543 -12.125 1.00 0.00 H new ATOM 272 N HIS A 151 -9.042 3.033 -5.271 1.00 0.00 N ATOM 273 CA HIS A 151 -8.807 4.141 -4.354 1.00 0.00 C ATOM 274 C HIS A 151 -7.601 3.844 -3.470 1.00 0.00 C ATOM 275 O HIS A 151 -6.713 4.684 -3.317 1.00 0.00 O ATOM 276 CB HIS A 151 -10.049 4.377 -3.476 1.00 0.00 C ATOM 277 CG HIS A 151 -11.056 5.214 -4.220 1.00 0.00 C ATOM 278 ND1 HIS A 151 -11.093 5.270 -5.605 1.00 0.00 N ATOM 279 CD2 HIS A 151 -12.066 6.038 -3.785 1.00 0.00 C ATOM 280 CE1 HIS A 151 -12.095 6.100 -5.952 1.00 0.00 C ATOM 281 NE2 HIS A 151 -12.720 6.596 -4.880 1.00 0.00 N ATOM 0 H HIS A 151 -9.997 2.674 -5.272 1.00 0.00 H new ATOM 0 HA HIS A 151 -8.609 5.040 -4.938 1.00 0.00 H new ATOM 0 HB2 HIS A 151 -10.494 3.422 -3.197 1.00 0.00 H new ATOM 0 HB3 HIS A 151 -9.761 4.877 -2.551 1.00 0.00 H new ATOM 0 HD2 HIS A 151 -12.315 6.224 -2.751 1.00 0.00 H new ATOM 0 HE1 HIS A 151 -12.361 6.336 -6.972 1.00 0.00 H new ATOM 0 HE2 HIS A 151 -13.507 7.244 -4.867 1.00 0.00 H new ATOM 290 N TRP A 152 -7.573 2.651 -2.885 1.00 0.00 N ATOM 291 CA TRP A 152 -6.466 2.281 -2.019 1.00 0.00 C ATOM 292 C TRP A 152 -5.147 2.321 -2.793 1.00 0.00 C ATOM 293 O TRP A 152 -4.155 2.866 -2.317 1.00 0.00 O ATOM 294 CB TRP A 152 -6.682 0.871 -1.425 1.00 0.00 C ATOM 295 CG TRP A 152 -7.476 0.933 -0.153 1.00 0.00 C ATOM 296 CD1 TRP A 152 -8.572 0.182 0.101 1.00 0.00 C ATOM 297 CD2 TRP A 152 -7.250 1.745 1.045 1.00 0.00 C ATOM 298 NE1 TRP A 152 -9.043 0.482 1.364 1.00 0.00 N ATOM 299 CE2 TRP A 152 -8.267 1.444 1.983 1.00 0.00 C ATOM 300 CE3 TRP A 152 -6.281 2.711 1.414 1.00 0.00 C ATOM 301 CZ2 TRP A 152 -8.324 2.069 3.226 1.00 0.00 C ATOM 302 CZ3 TRP A 152 -6.340 3.336 2.664 1.00 0.00 C ATOM 303 CH2 TRP A 152 -7.357 3.021 3.567 1.00 0.00 C ATOM 0 H TRP A 152 -8.293 1.936 -2.993 1.00 0.00 H new ATOM 0 HA TRP A 152 -6.421 3.001 -1.202 1.00 0.00 H new ATOM 0 HB2 TRP A 152 -7.201 0.244 -2.150 1.00 0.00 H new ATOM 0 HB3 TRP A 152 -5.717 0.403 -1.232 1.00 0.00 H new ATOM 0 HD1 TRP A 152 -9.009 -0.537 -0.576 1.00 0.00 H new ATOM 0 HE1 TRP A 152 -9.863 0.047 1.788 1.00 0.00 H new ATOM 0 HE3 TRP A 152 -5.490 2.967 0.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 152 -9.110 1.820 3.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 152 -5.593 4.068 2.933 1.00 0.00 H new ATOM 0 HH2 TRP A 152 -7.397 3.512 4.528 1.00 0.00 H new ATOM 314 N LYS A 153 -5.145 1.731 -3.981 1.00 0.00 N ATOM 315 CA LYS A 153 -3.942 1.694 -4.808 1.00 0.00 C ATOM 316 C LYS A 153 -3.306 3.078 -4.897 1.00 0.00 C ATOM 317 O LYS A 153 -2.084 3.211 -4.849 1.00 0.00 O ATOM 318 CB LYS A 153 -4.312 1.175 -6.212 1.00 0.00 C ATOM 319 CG LYS A 153 -3.106 0.482 -6.891 1.00 0.00 C ATOM 320 CD LYS A 153 -3.585 -0.502 -7.972 1.00 0.00 C ATOM 321 CE LYS A 153 -4.051 0.267 -9.208 1.00 0.00 C ATOM 322 NZ LYS A 153 -2.870 0.852 -9.904 1.00 0.00 N ATOM 0 H LYS A 153 -5.958 1.273 -4.394 1.00 0.00 H new ATOM 0 HA LYS A 153 -3.213 1.023 -4.354 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -5.142 0.473 -6.135 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -4.653 2.005 -6.831 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -2.453 1.232 -7.338 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -2.517 -0.049 -6.144 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -2.777 -1.183 -8.240 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -4.400 -1.113 -7.584 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -4.591 -0.399 -9.882 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -4.744 1.057 -8.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -3.112 1.042 -10.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -2.597 1.741 -9.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -2.076 0.182 -9.863 1.00 0.00 H new ATOM 336 N ASP A 154 -4.136 4.103 -5.019 1.00 0.00 N ATOM 337 CA ASP A 154 -3.629 5.464 -5.108 1.00 0.00 C ATOM 338 C ASP A 154 -3.171 5.957 -3.737 1.00 0.00 C ATOM 339 O ASP A 154 -2.071 6.486 -3.599 1.00 0.00 O ATOM 340 CB ASP A 154 -4.716 6.394 -5.649 1.00 0.00 C ATOM 341 CG ASP A 154 -5.015 6.052 -7.105 1.00 0.00 C ATOM 342 OD1 ASP A 154 -5.060 4.875 -7.420 1.00 0.00 O ATOM 343 OD2 ASP A 154 -5.195 6.973 -7.885 1.00 0.00 O ATOM 0 H ASP A 154 -5.152 4.021 -5.058 1.00 0.00 H new ATOM 0 HA ASP A 154 -2.777 5.469 -5.787 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -5.621 6.296 -5.050 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -4.392 7.432 -5.569 1.00 0.00 H new ATOM 348 N GLU A 155 -4.022 5.778 -2.729 1.00 0.00 N ATOM 349 CA GLU A 155 -3.692 6.217 -1.374 1.00 0.00 C ATOM 350 C GLU A 155 -2.390 5.577 -0.890 1.00 0.00 C ATOM 351 O GLU A 155 -1.484 6.275 -0.435 1.00 0.00 O ATOM 352 CB GLU A 155 -4.846 5.874 -0.419 1.00 0.00 C ATOM 353 CG GLU A 155 -4.416 6.087 1.048 1.00 0.00 C ATOM 354 CD GLU A 155 -5.622 6.460 1.908 1.00 0.00 C ATOM 355 OE1 GLU A 155 -6.689 5.920 1.666 1.00 0.00 O ATOM 356 OE2 GLU A 155 -5.459 7.280 2.798 1.00 0.00 O ATOM 0 H GLU A 155 -4.937 5.336 -2.822 1.00 0.00 H new ATOM 0 HA GLU A 155 -3.548 7.297 -1.387 1.00 0.00 H new ATOM 0 HB2 GLU A 155 -5.710 6.498 -0.645 1.00 0.00 H new ATOM 0 HB3 GLU A 155 -5.153 4.839 -0.567 1.00 0.00 H new ATOM 0 HG2 GLU A 155 -3.954 5.178 1.434 1.00 0.00 H new ATOM 0 HG3 GLU A 155 -3.665 6.875 1.103 1.00 0.00 H new ATOM 363 N ALA A 156 -2.291 4.255 -0.994 1.00 0.00 N ATOM 364 CA ALA A 156 -1.082 3.562 -0.564 1.00 0.00 C ATOM 365 C ALA A 156 0.125 4.161 -1.274 1.00 0.00 C ATOM 366 O ALA A 156 1.216 4.237 -0.711 1.00 0.00 O ATOM 367 CB ALA A 156 -1.180 2.064 -0.882 1.00 0.00 C ATOM 0 H ALA A 156 -3.022 3.650 -1.367 1.00 0.00 H new ATOM 0 HA ALA A 156 -0.970 3.682 0.514 1.00 0.00 H new ATOM 0 HB1 ALA A 156 -0.269 1.562 -0.555 1.00 0.00 H new ATOM 0 HB2 ALA A 156 -2.037 1.637 -0.361 1.00 0.00 H new ATOM 0 HB3 ALA A 156 -1.303 1.927 -1.956 1.00 0.00 H new ATOM 373 N GLY A 157 -0.090 4.599 -2.510 1.00 0.00 N ATOM 374 CA GLY A 157 0.981 5.207 -3.290 1.00 0.00 C ATOM 375 C GLY A 157 1.438 6.515 -2.651 1.00 0.00 C ATOM 376 O GLY A 157 2.635 6.745 -2.476 1.00 0.00 O ATOM 0 H GLY A 157 -0.988 4.545 -2.990 1.00 0.00 H new ATOM 0 HA2 GLY A 157 1.822 4.518 -3.361 1.00 0.00 H new ATOM 0 HA3 GLY A 157 0.636 5.394 -4.307 1.00 0.00 H new ATOM 380 N LYS A 158 0.479 7.370 -2.302 1.00 0.00 N ATOM 381 CA LYS A 158 0.802 8.651 -1.686 1.00 0.00 C ATOM 382 C LYS A 158 1.423 8.451 -0.307 1.00 0.00 C ATOM 383 O LYS A 158 2.329 9.185 0.086 1.00 0.00 O ATOM 384 CB LYS A 158 -0.458 9.516 -1.547 1.00 0.00 C ATOM 385 CG LYS A 158 -1.236 9.535 -2.875 1.00 0.00 C ATOM 386 CD LYS A 158 -2.059 10.826 -2.983 1.00 0.00 C ATOM 387 CE LYS A 158 -3.085 10.873 -1.849 1.00 0.00 C ATOM 388 NZ LYS A 158 -4.071 11.960 -2.118 1.00 0.00 N ATOM 0 H LYS A 158 -0.518 7.200 -2.434 1.00 0.00 H new ATOM 0 HA LYS A 158 1.520 9.155 -2.332 1.00 0.00 H new ATOM 0 HB2 LYS A 158 -1.091 9.124 -0.751 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -0.182 10.532 -1.264 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -0.543 9.465 -3.713 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -1.895 8.668 -2.933 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -1.402 11.694 -2.930 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -2.565 10.868 -3.948 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -3.597 9.914 -1.767 1.00 0.00 H new ATOM 0 HE3 LYS A 158 -2.584 11.049 -0.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 -4.769 11.994 -1.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 -3.575 12.872 -2.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 -4.557 11.773 -3.018 1.00 0.00 H new ATOM 402 N GLN A 159 0.925 7.461 0.429 1.00 0.00 N ATOM 403 CA GLN A 159 1.441 7.191 1.770 1.00 0.00 C ATOM 404 C GLN A 159 2.942 6.901 1.720 1.00 0.00 C ATOM 405 O GLN A 159 3.700 7.348 2.576 1.00 0.00 O ATOM 406 CB GLN A 159 0.687 5.998 2.401 1.00 0.00 C ATOM 407 CG GLN A 159 0.537 6.212 3.915 1.00 0.00 C ATOM 408 CD GLN A 159 -0.580 7.211 4.196 1.00 0.00 C ATOM 409 OE1 GLN A 159 -0.330 8.289 4.733 1.00 0.00 O ATOM 410 NE2 GLN A 159 -1.806 6.914 3.860 1.00 0.00 N ATOM 0 H GLN A 159 0.175 6.839 0.126 1.00 0.00 H new ATOM 0 HA GLN A 159 1.281 8.075 2.387 1.00 0.00 H new ATOM 0 HB2 GLN A 159 -0.296 5.894 1.941 1.00 0.00 H new ATOM 0 HB3 GLN A 159 1.229 5.072 2.208 1.00 0.00 H new ATOM 0 HG2 GLN A 159 0.318 5.263 4.404 1.00 0.00 H new ATOM 0 HG3 GLN A 159 1.475 6.577 4.333 1.00 0.00 H new ATOM 0 HE21 GLN A 159 -2.010 6.019 3.415 1.00 0.00 H new ATOM 0 HE22 GLN A 159 -2.560 7.577 4.043 1.00 0.00 H new ATOM 419 N CYS A 160 3.362 6.141 0.716 1.00 0.00 N ATOM 420 CA CYS A 160 4.770 5.797 0.571 1.00 0.00 C ATOM 421 C CYS A 160 5.569 6.974 0.020 1.00 0.00 C ATOM 422 O CYS A 160 6.686 7.242 0.462 1.00 0.00 O ATOM 423 CB CYS A 160 4.909 4.603 -0.369 1.00 0.00 C ATOM 424 SG CYS A 160 6.564 3.892 -0.203 1.00 0.00 S ATOM 0 H CYS A 160 2.753 5.754 -0.005 1.00 0.00 H new ATOM 0 HA CYS A 160 5.164 5.544 1.555 1.00 0.00 H new ATOM 0 HB2 CYS A 160 4.154 3.852 -0.134 1.00 0.00 H new ATOM 0 HB3 CYS A 160 4.738 4.916 -1.399 1.00 0.00 H new ATOM 429 N LYS A 161 4.993 7.663 -0.957 1.00 0.00 N ATOM 430 CA LYS A 161 5.665 8.803 -1.574 1.00 0.00 C ATOM 431 C LYS A 161 5.909 9.916 -0.560 1.00 0.00 C ATOM 432 O LYS A 161 7.028 10.412 -0.430 1.00 0.00 O ATOM 433 CB LYS A 161 4.822 9.343 -2.730 1.00 0.00 C ATOM 434 CG LYS A 161 4.850 8.350 -3.893 1.00 0.00 C ATOM 435 CD LYS A 161 3.773 8.725 -4.912 1.00 0.00 C ATOM 436 CE LYS A 161 3.784 7.716 -6.063 1.00 0.00 C ATOM 437 NZ LYS A 161 2.850 8.173 -7.131 1.00 0.00 N ATOM 0 H LYS A 161 4.070 7.456 -1.338 1.00 0.00 H new ATOM 0 HA LYS A 161 6.629 8.461 -1.949 1.00 0.00 H new ATOM 0 HB2 LYS A 161 3.795 9.504 -2.401 1.00 0.00 H new ATOM 0 HB3 LYS A 161 5.208 10.309 -3.054 1.00 0.00 H new ATOM 0 HG2 LYS A 161 5.832 8.357 -4.367 1.00 0.00 H new ATOM 0 HG3 LYS A 161 4.680 7.338 -3.525 1.00 0.00 H new ATOM 0 HD2 LYS A 161 2.794 8.736 -4.434 1.00 0.00 H new ATOM 0 HD3 LYS A 161 3.953 9.730 -5.294 1.00 0.00 H new ATOM 0 HE2 LYS A 161 4.792 7.617 -6.465 1.00 0.00 H new ATOM 0 HE3 LYS A 161 3.487 6.732 -5.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 2.856 7.488 -7.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 1.888 8.246 -6.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 3.153 9.104 -7.482 1.00 0.00 H new ATOM 451 N THR A 162 4.859 10.307 0.157 1.00 0.00 N ATOM 452 CA THR A 162 4.990 11.368 1.151 1.00 0.00 C ATOM 453 C THR A 162 5.981 10.963 2.239 1.00 0.00 C ATOM 454 O THR A 162 6.671 11.807 2.809 1.00 0.00 O ATOM 455 CB THR A 162 3.626 11.689 1.775 1.00 0.00 C ATOM 456 OG1 THR A 162 3.726 12.886 2.531 1.00 0.00 O ATOM 457 CG2 THR A 162 3.186 10.544 2.686 1.00 0.00 C ATOM 0 H THR A 162 3.922 9.913 0.071 1.00 0.00 H new ATOM 0 HA THR A 162 5.366 12.261 0.651 1.00 0.00 H new ATOM 0 HB THR A 162 2.889 11.816 0.982 1.00 0.00 H new ATOM 0 HG1 THR A 162 2.855 13.095 2.930 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.217 10.780 3.125 1.00 0.00 H new ATOM 0 HG22 THR A 162 3.107 9.626 2.104 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.920 10.408 3.480 1.00 0.00 H new ATOM 465 N LYS A 163 6.055 9.663 2.513 1.00 0.00 N ATOM 466 CA LYS A 163 6.974 9.159 3.526 1.00 0.00 C ATOM 467 C LYS A 163 8.396 9.138 2.973 1.00 0.00 C ATOM 468 O LYS A 163 8.600 9.085 1.759 1.00 0.00 O ATOM 469 CB LYS A 163 6.555 7.744 3.956 1.00 0.00 C ATOM 470 CG LYS A 163 5.374 7.793 4.953 1.00 0.00 C ATOM 471 CD LYS A 163 5.734 8.458 6.305 1.00 0.00 C ATOM 472 CE LYS A 163 7.111 8.014 6.800 1.00 0.00 C ATOM 473 NZ LYS A 163 7.248 8.351 8.246 1.00 0.00 N ATOM 0 H LYS A 163 5.495 8.946 2.052 1.00 0.00 H new ATOM 0 HA LYS A 163 6.942 9.817 4.395 1.00 0.00 H new ATOM 0 HB2 LYS A 163 6.271 7.163 3.079 1.00 0.00 H new ATOM 0 HB3 LYS A 163 7.402 7.234 4.415 1.00 0.00 H new ATOM 0 HG2 LYS A 163 4.547 8.338 4.498 1.00 0.00 H new ATOM 0 HG3 LYS A 163 5.023 6.778 5.138 1.00 0.00 H new ATOM 0 HD2 LYS A 163 5.719 9.542 6.194 1.00 0.00 H new ATOM 0 HD3 LYS A 163 4.979 8.203 7.049 1.00 0.00 H new ATOM 0 HE2 LYS A 163 7.235 6.941 6.652 1.00 0.00 H new ATOM 0 HE3 LYS A 163 7.894 8.508 6.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 8.184 8.050 8.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 7.147 9.378 8.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 6.509 7.860 8.788 1.00 0.00 H new ATOM 487 N LYS A 164 9.380 9.187 3.870 1.00 0.00 N ATOM 488 CA LYS A 164 10.789 9.180 3.468 1.00 0.00 C ATOM 489 C LYS A 164 11.607 8.300 4.405 1.00 0.00 C ATOM 490 O LYS A 164 11.196 8.023 5.532 1.00 0.00 O ATOM 491 CB LYS A 164 11.346 10.612 3.495 1.00 0.00 C ATOM 492 CG LYS A 164 10.931 11.326 4.803 1.00 0.00 C ATOM 493 CD LYS A 164 9.606 12.091 4.607 1.00 0.00 C ATOM 494 CE LYS A 164 9.880 13.477 4.011 1.00 0.00 C ATOM 495 NZ LYS A 164 8.600 14.234 3.907 1.00 0.00 N ATOM 0 H LYS A 164 9.230 9.232 4.878 1.00 0.00 H new ATOM 0 HA LYS A 164 10.858 8.780 2.457 1.00 0.00 H new ATOM 0 HB2 LYS A 164 12.433 10.588 3.415 1.00 0.00 H new ATOM 0 HB3 LYS A 164 10.975 11.170 2.635 1.00 0.00 H new ATOM 0 HG2 LYS A 164 10.820 10.595 5.603 1.00 0.00 H new ATOM 0 HG3 LYS A 164 11.715 12.018 5.110 1.00 0.00 H new ATOM 0 HD2 LYS A 164 8.946 11.527 3.948 1.00 0.00 H new ATOM 0 HD3 LYS A 164 9.091 12.193 5.562 1.00 0.00 H new ATOM 0 HE2 LYS A 164 10.587 14.021 4.637 1.00 0.00 H new ATOM 0 HE3 LYS A 164 10.337 13.378 3.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 8.723 15.036 3.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 7.854 13.606 3.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 8.329 14.589 4.846 1.00 0.00 H new ATOM 509 N SER A 165 12.769 7.862 3.930 1.00 0.00 N ATOM 510 CA SER A 165 13.641 7.014 4.733 1.00 0.00 C ATOM 511 C SER A 165 14.174 7.793 5.933 1.00 0.00 C ATOM 512 O SER A 165 13.618 8.822 6.314 1.00 0.00 O ATOM 513 CB SER A 165 14.808 6.505 3.865 1.00 0.00 C ATOM 514 OG SER A 165 16.007 7.178 4.227 1.00 0.00 O ATOM 0 H SER A 165 13.126 8.079 2.999 1.00 0.00 H new ATOM 0 HA SER A 165 13.072 6.160 5.101 1.00 0.00 H new ATOM 0 HB2 SER A 165 14.930 5.430 3.997 1.00 0.00 H new ATOM 0 HB3 SER A 165 14.590 6.674 2.811 1.00 0.00 H new ATOM 0 HG SER A 165 16.770 6.743 3.792 1.00 0.00 H new ATOM 520 N LYS A 166 15.259 7.300 6.520 1.00 0.00 N ATOM 521 CA LYS A 166 15.858 7.962 7.673 1.00 0.00 C ATOM 522 C LYS A 166 16.625 9.205 7.230 1.00 0.00 C ATOM 523 O LYS A 166 16.715 10.186 7.968 1.00 0.00 O ATOM 524 CB LYS A 166 16.809 6.999 8.394 1.00 0.00 C ATOM 525 CG LYS A 166 17.223 7.580 9.760 1.00 0.00 C ATOM 526 CD LYS A 166 16.174 7.241 10.827 1.00 0.00 C ATOM 527 CE LYS A 166 16.687 7.676 12.201 1.00 0.00 C ATOM 528 NZ LYS A 166 15.639 7.416 13.229 1.00 0.00 N ATOM 0 H LYS A 166 15.738 6.451 6.220 1.00 0.00 H new ATOM 0 HA LYS A 166 15.062 8.261 8.356 1.00 0.00 H new ATOM 0 HB2 LYS A 166 16.323 6.034 8.534 1.00 0.00 H new ATOM 0 HB3 LYS A 166 17.694 6.825 7.782 1.00 0.00 H new ATOM 0 HG2 LYS A 166 18.193 7.178 10.054 1.00 0.00 H new ATOM 0 HG3 LYS A 166 17.336 8.661 9.683 1.00 0.00 H new ATOM 0 HD2 LYS A 166 15.234 7.745 10.601 1.00 0.00 H new ATOM 0 HD3 LYS A 166 15.970 6.170 10.825 1.00 0.00 H new ATOM 0 HE2 LYS A 166 17.598 7.132 12.450 1.00 0.00 H new ATOM 0 HE3 LYS A 166 16.942 8.736 12.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 15.988 7.712 14.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 14.781 7.954 12.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 15.416 6.400 13.248 1.00 0.00 H new ATOM 542 N GLY A 167 17.180 9.153 6.019 1.00 0.00 N ATOM 543 CA GLY A 167 17.943 10.279 5.475 1.00 0.00 C ATOM 544 C GLY A 167 17.094 11.094 4.502 1.00 0.00 C ATOM 545 O GLY A 167 17.544 11.432 3.408 1.00 0.00 O ATOM 0 H GLY A 167 17.117 8.347 5.397 1.00 0.00 H new ATOM 0 HA2 GLY A 167 18.285 10.918 6.289 1.00 0.00 H new ATOM 0 HA3 GLY A 167 18.832 9.908 4.965 1.00 0.00 H new ATOM 549 N ASN A 168 15.869 11.409 4.910 1.00 0.00 N ATOM 550 CA ASN A 168 14.964 12.188 4.070 1.00 0.00 C ATOM 551 C ASN A 168 15.034 11.715 2.614 1.00 0.00 C ATOM 552 O ASN A 168 15.049 12.526 1.690 1.00 0.00 O ATOM 553 CB ASN A 168 15.330 13.682 4.166 1.00 0.00 C ATOM 554 CG ASN A 168 14.076 14.548 4.053 1.00 0.00 C ATOM 555 OD1 ASN A 168 14.050 15.517 3.294 1.00 0.00 O ATOM 556 ND2 ASN A 168 13.031 14.248 4.772 1.00 0.00 N ATOM 0 H ASN A 168 15.480 11.138 5.813 1.00 0.00 H new ATOM 0 HA ASN A 168 13.943 12.044 4.423 1.00 0.00 H new ATOM 0 HB2 ASN A 168 15.831 13.880 5.113 1.00 0.00 H new ATOM 0 HB3 ASN A 168 16.032 13.942 3.374 1.00 0.00 H new ATOM 0 HD21 ASN A 168 12.187 14.817 4.707 1.00 0.00 H new ATOM 0 HD22 ASN A 168 13.057 13.444 5.399 1.00 0.00 H new ATOM 563 N LYS A 169 15.077 10.398 2.426 1.00 0.00 N ATOM 564 CA LYS A 169 15.146 9.818 1.083 1.00 0.00 C ATOM 565 C LYS A 169 13.736 9.527 0.562 1.00 0.00 C ATOM 566 O LYS A 169 12.746 9.738 1.263 1.00 0.00 O ATOM 567 CB LYS A 169 15.987 8.514 1.132 1.00 0.00 C ATOM 568 CG LYS A 169 17.319 8.683 0.379 1.00 0.00 C ATOM 569 CD LYS A 169 17.078 8.591 -1.132 1.00 0.00 C ATOM 570 CE LYS A 169 18.421 8.589 -1.862 1.00 0.00 C ATOM 571 NZ LYS A 169 19.187 7.366 -1.490 1.00 0.00 N ATOM 0 H LYS A 169 15.065 9.713 3.182 1.00 0.00 H new ATOM 0 HA LYS A 169 15.622 10.526 0.404 1.00 0.00 H new ATOM 0 HB2 LYS A 169 16.184 8.244 2.169 1.00 0.00 H new ATOM 0 HB3 LYS A 169 15.419 7.695 0.692 1.00 0.00 H new ATOM 0 HG2 LYS A 169 17.768 9.645 0.627 1.00 0.00 H new ATOM 0 HG3 LYS A 169 18.024 7.913 0.691 1.00 0.00 H new ATOM 0 HD2 LYS A 169 16.522 7.684 -1.368 1.00 0.00 H new ATOM 0 HD3 LYS A 169 16.471 9.433 -1.466 1.00 0.00 H new ATOM 0 HE2 LYS A 169 18.261 8.617 -2.940 1.00 0.00 H new ATOM 0 HE3 LYS A 169 18.990 9.481 -1.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 19.871 7.143 -2.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 19.694 7.532 -0.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 18.531 6.568 -1.372 1.00 0.00 H new ATOM 585 N ASP A 170 13.658 9.039 -0.676 1.00 0.00 N ATOM 586 CA ASP A 170 12.374 8.713 -1.300 1.00 0.00 C ATOM 587 C ASP A 170 12.217 7.201 -1.429 1.00 0.00 C ATOM 588 O ASP A 170 13.204 6.466 -1.443 1.00 0.00 O ATOM 589 CB ASP A 170 12.296 9.352 -2.688 1.00 0.00 C ATOM 590 CG ASP A 170 10.928 9.085 -3.308 1.00 0.00 C ATOM 591 OD1 ASP A 170 10.767 8.037 -3.912 1.00 0.00 O ATOM 592 OD2 ASP A 170 10.061 9.933 -3.170 1.00 0.00 O ATOM 0 H ASP A 170 14.469 8.860 -1.268 1.00 0.00 H new ATOM 0 HA ASP A 170 11.572 9.102 -0.673 1.00 0.00 H new ATOM 0 HB2 ASP A 170 12.467 10.426 -2.613 1.00 0.00 H new ATOM 0 HB3 ASP A 170 13.080 8.948 -3.328 1.00 0.00 H new ATOM 597 N MET A 171 10.970 6.741 -1.524 1.00 0.00 N ATOM 598 CA MET A 171 10.694 5.311 -1.652 1.00 0.00 C ATOM 599 C MET A 171 9.431 5.075 -2.471 1.00 0.00 C ATOM 600 O MET A 171 8.418 5.748 -2.278 1.00 0.00 O ATOM 601 CB MET A 171 10.517 4.684 -0.266 1.00 0.00 C ATOM 602 CG MET A 171 11.753 4.968 0.592 1.00 0.00 C ATOM 603 SD MET A 171 11.688 3.964 2.100 1.00 0.00 S ATOM 604 CE MET A 171 11.889 2.336 1.329 1.00 0.00 C ATOM 0 H MET A 171 10.140 7.334 -1.515 1.00 0.00 H new ATOM 0 HA MET A 171 11.539 4.848 -2.161 1.00 0.00 H new ATOM 0 HB2 MET A 171 9.627 5.089 0.216 1.00 0.00 H new ATOM 0 HB3 MET A 171 10.367 3.608 -0.360 1.00 0.00 H new ATOM 0 HG2 MET A 171 12.659 4.740 0.030 1.00 0.00 H new ATOM 0 HG3 MET A 171 11.795 6.026 0.849 1.00 0.00 H new ATOM 0 HE1 MET A 171 12.194 1.611 2.084 1.00 0.00 H new ATOM 0 HE2 MET A 171 10.943 2.024 0.887 1.00 0.00 H new ATOM 0 HE3 MET A 171 12.651 2.393 0.552 1.00 0.00 H new ATOM 614 N ILE A 172 9.493 4.102 -3.377 1.00 0.00 N ATOM 615 CA ILE A 172 8.346 3.763 -4.217 1.00 0.00 C ATOM 616 C ILE A 172 7.523 2.675 -3.542 1.00 0.00 C ATOM 617 O ILE A 172 7.784 2.322 -2.396 1.00 0.00 O ATOM 618 CB ILE A 172 8.822 3.277 -5.596 1.00 0.00 C ATOM 619 CG1 ILE A 172 9.630 1.972 -5.466 1.00 0.00 C ATOM 620 CG2 ILE A 172 9.713 4.348 -6.229 1.00 0.00 C ATOM 621 CD1 ILE A 172 9.920 1.414 -6.861 1.00 0.00 C ATOM 0 H ILE A 172 10.323 3.535 -3.548 1.00 0.00 H new ATOM 0 HA ILE A 172 7.730 4.652 -4.352 1.00 0.00 H new ATOM 0 HB ILE A 172 7.947 3.092 -6.219 1.00 0.00 H new ATOM 0 HG12 ILE A 172 10.564 2.160 -4.936 1.00 0.00 H new ATOM 0 HG13 ILE A 172 9.072 1.243 -4.879 1.00 0.00 H new ATOM 0 HG21 ILE A 172 10.053 4.007 -7.207 1.00 0.00 H new ATOM 0 HG22 ILE A 172 9.146 5.272 -6.343 1.00 0.00 H new ATOM 0 HG23 ILE A 172 10.576 4.529 -5.588 1.00 0.00 H new ATOM 0 HD11 ILE A 172 10.492 0.490 -6.772 1.00 0.00 H new ATOM 0 HD12 ILE A 172 8.980 1.211 -7.374 1.00 0.00 H new ATOM 0 HD13 ILE A 172 10.495 2.143 -7.432 1.00 0.00 H new ATOM 633 N VAL A 173 6.547 2.130 -4.266 1.00 0.00 N ATOM 634 CA VAL A 173 5.706 1.053 -3.738 1.00 0.00 C ATOM 635 C VAL A 173 5.969 -0.225 -4.526 1.00 0.00 C ATOM 636 O VAL A 173 5.595 -0.342 -5.693 1.00 0.00 O ATOM 637 CB VAL A 173 4.221 1.438 -3.823 1.00 0.00 C ATOM 638 CG1 VAL A 173 3.350 0.217 -3.507 1.00 0.00 C ATOM 639 CG2 VAL A 173 3.918 2.555 -2.811 1.00 0.00 C ATOM 0 H VAL A 173 6.318 2.415 -5.218 1.00 0.00 H new ATOM 0 HA VAL A 173 5.953 0.887 -2.689 1.00 0.00 H new ATOM 0 HB VAL A 173 4.001 1.789 -4.831 1.00 0.00 H new ATOM 0 HG11 VAL A 173 2.298 0.495 -3.568 1.00 0.00 H new ATOM 0 HG12 VAL A 173 3.559 -0.575 -4.226 1.00 0.00 H new ATOM 0 HG13 VAL A 173 3.573 -0.139 -2.501 1.00 0.00 H new ATOM 0 HG21 VAL A 173 2.864 2.826 -2.873 1.00 0.00 H new ATOM 0 HG22 VAL A 173 4.144 2.205 -1.804 1.00 0.00 H new ATOM 0 HG23 VAL A 173 4.531 3.427 -3.037 1.00 0.00 H new ATOM 649 N ARG A 174 6.637 -1.169 -3.875 1.00 0.00 N ATOM 650 CA ARG A 174 6.981 -2.437 -4.507 1.00 0.00 C ATOM 651 C ARG A 174 5.751 -3.347 -4.605 1.00 0.00 C ATOM 652 O ARG A 174 5.386 -3.786 -5.696 1.00 0.00 O ATOM 653 CB ARG A 174 8.117 -3.106 -3.699 1.00 0.00 C ATOM 654 CG ARG A 174 8.054 -4.639 -3.798 1.00 0.00 C ATOM 655 CD ARG A 174 9.404 -5.238 -3.399 1.00 0.00 C ATOM 656 NE ARG A 174 9.322 -6.694 -3.376 1.00 0.00 N ATOM 657 CZ ARG A 174 10.341 -7.433 -2.951 1.00 0.00 C ATOM 658 NH1 ARG A 174 11.441 -6.859 -2.545 1.00 0.00 N ATOM 659 NH2 ARG A 174 10.243 -8.734 -2.940 1.00 0.00 N ATOM 0 H ARG A 174 6.952 -1.081 -2.909 1.00 0.00 H new ATOM 0 HA ARG A 174 7.327 -2.258 -5.525 1.00 0.00 H new ATOM 0 HB2 ARG A 174 9.081 -2.756 -4.068 1.00 0.00 H new ATOM 0 HB3 ARG A 174 8.047 -2.805 -2.654 1.00 0.00 H new ATOM 0 HG2 ARG A 174 7.268 -5.023 -3.147 1.00 0.00 H new ATOM 0 HG3 ARG A 174 7.799 -4.937 -4.815 1.00 0.00 H new ATOM 0 HD2 ARG A 174 10.173 -4.921 -4.103 1.00 0.00 H new ATOM 0 HD3 ARG A 174 9.699 -4.868 -2.417 1.00 0.00 H new ATOM 0 HE ARG A 174 8.467 -7.153 -3.692 1.00 0.00 H new ATOM 0 HH11 ARG A 174 11.519 -5.842 -2.554 1.00 0.00 H new ATOM 0 HH12 ARG A 174 12.223 -7.428 -2.219 1.00 0.00 H new ATOM 0 HH21 ARG A 174 9.384 -9.183 -3.258 1.00 0.00 H new ATOM 0 HH22 ARG A 174 11.025 -9.302 -2.614 1.00 0.00 H new ATOM 673 N SER A 175 5.125 -3.635 -3.464 1.00 0.00 N ATOM 674 CA SER A 175 3.943 -4.507 -3.435 1.00 0.00 C ATOM 675 C SER A 175 2.709 -3.735 -2.980 1.00 0.00 C ATOM 676 O SER A 175 2.818 -2.639 -2.432 1.00 0.00 O ATOM 677 CB SER A 175 4.189 -5.681 -2.485 1.00 0.00 C ATOM 678 OG SER A 175 3.275 -6.727 -2.786 1.00 0.00 O ATOM 0 H SER A 175 5.412 -3.282 -2.551 1.00 0.00 H new ATOM 0 HA SER A 175 3.768 -4.880 -4.444 1.00 0.00 H new ATOM 0 HB2 SER A 175 5.214 -6.038 -2.587 1.00 0.00 H new ATOM 0 HB3 SER A 175 4.064 -5.360 -1.451 1.00 0.00 H new ATOM 0 HG SER A 175 3.431 -7.482 -2.181 1.00 0.00 H new ATOM 684 N PHE A 176 1.536 -4.319 -3.208 1.00 0.00 N ATOM 685 CA PHE A 176 0.289 -3.677 -2.813 1.00 0.00 C ATOM 686 C PHE A 176 -0.880 -4.660 -2.911 1.00 0.00 C ATOM 687 O PHE A 176 -1.045 -5.356 -3.913 1.00 0.00 O ATOM 688 CB PHE A 176 0.055 -2.433 -3.696 1.00 0.00 C ATOM 689 CG PHE A 176 -1.412 -2.047 -3.718 1.00 0.00 C ATOM 690 CD1 PHE A 176 -1.941 -1.260 -2.694 1.00 0.00 C ATOM 691 CD2 PHE A 176 -2.242 -2.483 -4.757 1.00 0.00 C ATOM 692 CE1 PHE A 176 -3.288 -0.911 -2.700 1.00 0.00 C ATOM 693 CE2 PHE A 176 -3.595 -2.129 -4.766 1.00 0.00 C ATOM 694 CZ PHE A 176 -4.120 -1.342 -3.734 1.00 0.00 C ATOM 0 H PHE A 176 1.424 -5.227 -3.660 1.00 0.00 H new ATOM 0 HA PHE A 176 0.357 -3.360 -1.773 1.00 0.00 H new ATOM 0 HB2 PHE A 176 0.648 -1.599 -3.320 1.00 0.00 H new ATOM 0 HB3 PHE A 176 0.397 -2.634 -4.711 1.00 0.00 H new ATOM 0 HD1 PHE A 176 -1.302 -0.920 -1.893 1.00 0.00 H new ATOM 0 HD2 PHE A 176 -1.838 -3.093 -5.552 1.00 0.00 H new ATOM 0 HE1 PHE A 176 -3.691 -0.305 -1.902 1.00 0.00 H new ATOM 0 HE2 PHE A 176 -4.235 -2.463 -5.569 1.00 0.00 H new ATOM 0 HZ PHE A 176 -5.165 -1.069 -3.738 1.00 0.00 H new ATOM 704 N ALA A 177 -1.682 -4.701 -1.851 1.00 0.00 N ATOM 705 CA ALA A 177 -2.843 -5.588 -1.793 1.00 0.00 C ATOM 706 C ALA A 177 -3.736 -5.181 -0.626 1.00 0.00 C ATOM 707 O ALA A 177 -3.233 -4.813 0.428 1.00 0.00 O ATOM 708 CB ALA A 177 -2.388 -7.037 -1.606 1.00 0.00 C ATOM 0 H ALA A 177 -1.550 -4.129 -1.017 1.00 0.00 H new ATOM 0 HA ALA A 177 -3.400 -5.507 -2.727 1.00 0.00 H new ATOM 0 HB1 ALA A 177 -3.260 -7.690 -1.564 1.00 0.00 H new ATOM 0 HB2 ALA A 177 -1.755 -7.331 -2.443 1.00 0.00 H new ATOM 0 HB3 ALA A 177 -1.824 -7.124 -0.677 1.00 0.00 H new ATOM 714 N VAL A 178 -5.054 -5.240 -0.810 1.00 0.00 N ATOM 715 CA VAL A 178 -5.966 -4.845 0.261 1.00 0.00 C ATOM 716 C VAL A 178 -5.901 -5.827 1.426 1.00 0.00 C ATOM 717 O VAL A 178 -5.359 -6.924 1.295 1.00 0.00 O ATOM 718 CB VAL A 178 -7.404 -4.732 -0.259 1.00 0.00 C ATOM 719 CG1 VAL A 178 -7.498 -3.555 -1.235 1.00 0.00 C ATOM 720 CG2 VAL A 178 -7.812 -6.030 -0.971 1.00 0.00 C ATOM 0 H VAL A 178 -5.506 -5.550 -1.670 1.00 0.00 H new ATOM 0 HA VAL A 178 -5.650 -3.866 0.620 1.00 0.00 H new ATOM 0 HB VAL A 178 -8.078 -4.566 0.581 1.00 0.00 H new ATOM 0 HG11 VAL A 178 -8.519 -3.471 -1.607 1.00 0.00 H new ATOM 0 HG12 VAL A 178 -7.222 -2.634 -0.722 1.00 0.00 H new ATOM 0 HG13 VAL A 178 -6.820 -3.721 -2.072 1.00 0.00 H new ATOM 0 HG21 VAL A 178 -8.835 -5.939 -1.336 1.00 0.00 H new ATOM 0 HG22 VAL A 178 -7.141 -6.210 -1.811 1.00 0.00 H new ATOM 0 HG23 VAL A 178 -7.750 -6.864 -0.272 1.00 0.00 H new ATOM 730 N LEU A 179 -6.426 -5.407 2.585 1.00 0.00 N ATOM 731 CA LEU A 179 -6.392 -6.240 3.792 1.00 0.00 C ATOM 732 C LEU A 179 -7.785 -6.705 4.212 1.00 0.00 C ATOM 733 O LEU A 179 -8.309 -7.692 3.696 1.00 0.00 O ATOM 734 CB LEU A 179 -5.770 -5.442 4.954 1.00 0.00 C ATOM 735 CG LEU A 179 -4.244 -5.320 4.792 1.00 0.00 C ATOM 736 CD1 LEU A 179 -3.670 -4.398 5.910 1.00 0.00 C ATOM 737 CD2 LEU A 179 -3.588 -6.728 4.851 1.00 0.00 C ATOM 0 H LEU A 179 -6.877 -4.501 2.711 1.00 0.00 H new ATOM 0 HA LEU A 179 -5.793 -7.121 3.559 1.00 0.00 H new ATOM 0 HB2 LEU A 179 -6.215 -4.448 4.995 1.00 0.00 H new ATOM 0 HB3 LEU A 179 -6.000 -5.933 5.900 1.00 0.00 H new ATOM 0 HG LEU A 179 -4.017 -4.877 3.822 1.00 0.00 H new ATOM 0 HD11 LEU A 179 -2.590 -4.313 5.793 1.00 0.00 H new ATOM 0 HD12 LEU A 179 -4.122 -3.409 5.834 1.00 0.00 H new ATOM 0 HD13 LEU A 179 -3.897 -4.826 6.887 1.00 0.00 H new ATOM 0 HD21 LEU A 179 -2.508 -6.632 4.735 1.00 0.00 H new ATOM 0 HD22 LEU A 179 -3.810 -7.193 5.812 1.00 0.00 H new ATOM 0 HD23 LEU A 179 -3.985 -7.348 4.047 1.00 0.00 H new ATOM 749 N GLU A 180 -8.355 -6.004 5.189 1.00 0.00 N ATOM 750 CA GLU A 180 -9.665 -6.364 5.723 1.00 0.00 C ATOM 751 C GLU A 180 -10.790 -6.042 4.731 1.00 0.00 C ATOM 752 O GLU A 180 -10.708 -5.052 4.003 1.00 0.00 O ATOM 753 CB GLU A 180 -9.911 -5.608 7.029 1.00 0.00 C ATOM 754 CG GLU A 180 -9.013 -6.174 8.129 1.00 0.00 C ATOM 755 CD GLU A 180 -9.026 -5.249 9.341 1.00 0.00 C ATOM 756 OE1 GLU A 180 -9.879 -5.436 10.194 1.00 0.00 O ATOM 757 OE2 GLU A 180 -8.184 -4.369 9.401 1.00 0.00 O ATOM 0 H GLU A 180 -7.931 -5.185 5.626 1.00 0.00 H new ATOM 0 HA GLU A 180 -9.669 -7.439 5.902 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -9.707 -4.546 6.890 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -10.958 -5.696 7.320 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -9.358 -7.167 8.416 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -7.994 -6.285 7.757 1.00 0.00 H new ATOM 764 N PRO A 181 -11.838 -6.840 4.693 1.00 0.00 N ATOM 765 CA PRO A 181 -12.992 -6.606 3.775 1.00 0.00 C ATOM 766 C PRO A 181 -13.961 -5.539 4.298 1.00 0.00 C ATOM 767 O PRO A 181 -14.170 -5.399 5.503 1.00 0.00 O ATOM 768 CB PRO A 181 -13.673 -7.975 3.731 1.00 0.00 C ATOM 769 CG PRO A 181 -13.449 -8.529 5.097 1.00 0.00 C ATOM 770 CD PRO A 181 -12.050 -8.060 5.505 1.00 0.00 C ATOM 0 HA PRO A 181 -12.673 -6.233 2.802 1.00 0.00 H new ATOM 0 HB2 PRO A 181 -14.736 -7.886 3.505 1.00 0.00 H new ATOM 0 HB3 PRO A 181 -13.236 -8.614 2.964 1.00 0.00 H new ATOM 0 HG2 PRO A 181 -14.203 -8.167 5.796 1.00 0.00 H new ATOM 0 HG3 PRO A 181 -13.513 -9.617 5.094 1.00 0.00 H new ATOM 0 HD2 PRO A 181 -11.995 -7.845 6.572 1.00 0.00 H new ATOM 0 HD3 PRO A 181 -11.296 -8.818 5.293 1.00 0.00 H new ATOM 778 N CYS A 182 -14.551 -4.808 3.361 1.00 0.00 N ATOM 779 CA CYS A 182 -15.520 -3.748 3.659 1.00 0.00 C ATOM 780 C CYS A 182 -16.710 -3.909 2.712 1.00 0.00 C ATOM 781 O CYS A 182 -16.824 -4.933 2.041 1.00 0.00 O ATOM 782 CB CYS A 182 -14.877 -2.369 3.490 1.00 0.00 C ATOM 783 SG CYS A 182 -15.706 -1.132 4.513 1.00 0.00 S ATOM 0 H CYS A 182 -14.373 -4.931 2.364 1.00 0.00 H new ATOM 0 HA CYS A 182 -15.855 -3.829 4.693 1.00 0.00 H new ATOM 0 HB2 CYS A 182 -13.822 -2.421 3.761 1.00 0.00 H new ATOM 0 HB3 CYS A 182 -14.923 -2.069 2.443 1.00 0.00 H new ATOM 788 N ALA A 183 -17.599 -2.917 2.684 1.00 0.00 N ATOM 789 CA ALA A 183 -18.788 -2.973 1.824 1.00 0.00 C ATOM 790 C ALA A 183 -18.498 -3.681 0.494 1.00 0.00 C ATOM 791 O ALA A 183 -17.343 -3.840 0.102 1.00 0.00 O ATOM 792 CB ALA A 183 -19.284 -1.554 1.540 1.00 0.00 C ATOM 0 H ALA A 183 -17.522 -2.067 3.243 1.00 0.00 H new ATOM 0 HA ALA A 183 -19.552 -3.544 2.352 1.00 0.00 H new ATOM 0 HB1 ALA A 183 -20.166 -1.598 0.902 1.00 0.00 H new ATOM 0 HB2 ALA A 183 -19.540 -1.063 2.479 1.00 0.00 H new ATOM 0 HB3 ALA A 183 -18.500 -0.988 1.037 1.00 0.00 H new ATOM 798 N LEU A 184 -19.575 -4.109 -0.177 1.00 0.00 N ATOM 799 CA LEU A 184 -19.500 -4.834 -1.459 1.00 0.00 C ATOM 800 C LEU A 184 -18.131 -4.733 -2.139 1.00 0.00 C ATOM 801 O LEU A 184 -17.423 -5.731 -2.266 1.00 0.00 O ATOM 802 CB LEU A 184 -20.563 -4.284 -2.418 1.00 0.00 C ATOM 803 CG LEU A 184 -20.727 -5.225 -3.637 1.00 0.00 C ATOM 804 CD1 LEU A 184 -21.802 -6.278 -3.347 1.00 0.00 C ATOM 805 CD2 LEU A 184 -21.142 -4.410 -4.870 1.00 0.00 C ATOM 0 H LEU A 184 -20.529 -3.963 0.153 1.00 0.00 H new ATOM 0 HA LEU A 184 -19.672 -5.886 -1.230 1.00 0.00 H new ATOM 0 HB2 LEU A 184 -21.515 -4.184 -1.897 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -20.277 -3.288 -2.755 1.00 0.00 H new ATOM 0 HG LEU A 184 -19.775 -5.721 -3.827 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -21.910 -6.935 -4.210 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -21.510 -6.867 -2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -22.752 -5.783 -3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -21.256 -5.076 -5.725 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -22.089 -3.908 -4.672 1.00 0.00 H new ATOM 0 HD23 LEU A 184 -20.376 -3.666 -5.089 1.00 0.00 H new ATOM 817 N ASP A 185 -17.773 -3.531 -2.591 1.00 0.00 N ATOM 818 CA ASP A 185 -16.493 -3.317 -3.277 1.00 0.00 C ATOM 819 C ASP A 185 -15.648 -2.302 -2.520 1.00 0.00 C ATOM 820 O ASP A 185 -15.426 -1.189 -2.996 1.00 0.00 O ATOM 821 CB ASP A 185 -16.758 -2.812 -4.700 1.00 0.00 C ATOM 822 CG ASP A 185 -15.517 -3.000 -5.568 1.00 0.00 C ATOM 823 OD1 ASP A 185 -14.438 -2.665 -5.104 1.00 0.00 O ATOM 824 OD2 ASP A 185 -15.662 -3.474 -6.682 1.00 0.00 O ATOM 0 H ASP A 185 -18.346 -2.693 -2.497 1.00 0.00 H new ATOM 0 HA ASP A 185 -15.949 -4.261 -3.317 1.00 0.00 H new ATOM 0 HB2 ASP A 185 -17.599 -3.352 -5.134 1.00 0.00 H new ATOM 0 HB3 ASP A 185 -17.035 -1.758 -4.674 1.00 0.00 H new ATOM 829 N MET A 186 -15.191 -2.692 -1.334 1.00 0.00 N ATOM 830 CA MET A 186 -14.385 -1.805 -0.503 1.00 0.00 C ATOM 831 C MET A 186 -13.570 -2.601 0.515 1.00 0.00 C ATOM 832 O MET A 186 -13.865 -3.764 0.785 1.00 0.00 O ATOM 833 CB MET A 186 -15.295 -0.801 0.222 1.00 0.00 C ATOM 834 CG MET A 186 -15.841 0.243 -0.758 1.00 0.00 C ATOM 835 SD MET A 186 -16.391 1.697 0.171 1.00 0.00 S ATOM 836 CE MET A 186 -16.017 2.937 -1.093 1.00 0.00 C ATOM 0 H MET A 186 -15.364 -3.612 -0.929 1.00 0.00 H new ATOM 0 HA MET A 186 -13.691 -1.265 -1.148 1.00 0.00 H new ATOM 0 HB2 MET A 186 -16.122 -1.329 0.696 1.00 0.00 H new ATOM 0 HB3 MET A 186 -14.737 -0.305 1.016 1.00 0.00 H new ATOM 0 HG2 MET A 186 -15.070 0.525 -1.475 1.00 0.00 H new ATOM 0 HG3 MET A 186 -16.670 -0.175 -1.329 1.00 0.00 H new ATOM 0 HE1 MET A 186 -16.166 3.934 -0.680 1.00 0.00 H new ATOM 0 HE2 MET A 186 -14.981 2.828 -1.414 1.00 0.00 H new ATOM 0 HE3 MET A 186 -16.678 2.796 -1.948 1.00 0.00 H new ATOM 846 N PHE A 187 -12.539 -1.960 1.080 1.00 0.00 N ATOM 847 CA PHE A 187 -11.676 -2.607 2.078 1.00 0.00 C ATOM 848 C PHE A 187 -11.435 -1.681 3.273 1.00 0.00 C ATOM 849 O PHE A 187 -11.147 -0.496 3.106 1.00 0.00 O ATOM 850 CB PHE A 187 -10.351 -2.979 1.421 1.00 0.00 C ATOM 851 CG PHE A 187 -10.652 -3.926 0.291 1.00 0.00 C ATOM 852 CD1 PHE A 187 -10.751 -5.298 0.541 1.00 0.00 C ATOM 853 CD2 PHE A 187 -10.864 -3.429 -0.998 1.00 0.00 C ATOM 854 CE1 PHE A 187 -11.058 -6.178 -0.503 1.00 0.00 C ATOM 855 CE2 PHE A 187 -11.174 -4.306 -2.042 1.00 0.00 C ATOM 856 CZ PHE A 187 -11.271 -5.682 -1.796 1.00 0.00 C ATOM 0 H PHE A 187 -12.282 -0.997 0.864 1.00 0.00 H new ATOM 0 HA PHE A 187 -12.169 -3.506 2.448 1.00 0.00 H new ATOM 0 HB2 PHE A 187 -9.845 -2.088 1.049 1.00 0.00 H new ATOM 0 HB3 PHE A 187 -9.683 -3.447 2.144 1.00 0.00 H new ATOM 0 HD1 PHE A 187 -10.591 -5.678 1.539 1.00 0.00 H new ATOM 0 HD2 PHE A 187 -10.788 -2.368 -1.188 1.00 0.00 H new ATOM 0 HE1 PHE A 187 -11.131 -7.239 -0.312 1.00 0.00 H new ATOM 0 HE2 PHE A 187 -11.339 -3.923 -3.038 1.00 0.00 H new ATOM 0 HZ PHE A 187 -11.510 -6.360 -2.602 1.00 0.00 H new ATOM 866 N THR A 188 -11.584 -2.232 4.482 1.00 0.00 N ATOM 867 CA THR A 188 -11.411 -1.445 5.705 1.00 0.00 C ATOM 868 C THR A 188 -9.951 -1.029 5.892 1.00 0.00 C ATOM 869 O THR A 188 -9.653 -0.114 6.661 1.00 0.00 O ATOM 870 CB THR A 188 -11.881 -2.236 6.954 1.00 0.00 C ATOM 871 OG1 THR A 188 -10.754 -2.656 7.711 1.00 0.00 O ATOM 872 CG2 THR A 188 -12.692 -3.468 6.545 1.00 0.00 C ATOM 0 H THR A 188 -11.822 -3.211 4.639 1.00 0.00 H new ATOM 0 HA THR A 188 -12.026 -0.551 5.599 1.00 0.00 H new ATOM 0 HB THR A 188 -12.511 -1.579 7.554 1.00 0.00 H new ATOM 0 HG1 THR A 188 -11.056 -3.153 8.499 1.00 0.00 H new ATOM 0 HG21 THR A 188 -13.011 -4.007 7.437 1.00 0.00 H new ATOM 0 HG22 THR A 188 -13.569 -3.155 5.978 1.00 0.00 H new ATOM 0 HG23 THR A 188 -12.075 -4.121 5.928 1.00 0.00 H new ATOM 880 N GLY A 189 -9.045 -1.710 5.200 1.00 0.00 N ATOM 881 CA GLY A 189 -7.625 -1.401 5.319 1.00 0.00 C ATOM 882 C GLY A 189 -6.836 -2.008 4.171 1.00 0.00 C ATOM 883 O GLY A 189 -7.324 -2.898 3.474 1.00 0.00 O ATOM 0 H GLY A 189 -9.264 -2.471 4.558 1.00 0.00 H new ATOM 0 HA2 GLY A 189 -7.484 -0.320 5.330 1.00 0.00 H new ATOM 0 HA3 GLY A 189 -7.245 -1.781 6.267 1.00 0.00 H new ATOM 887 N VAL A 190 -5.612 -1.521 3.971 1.00 0.00 N ATOM 888 CA VAL A 190 -4.768 -2.029 2.888 1.00 0.00 C ATOM 889 C VAL A 190 -3.296 -2.103 3.295 1.00 0.00 C ATOM 890 O VAL A 190 -2.796 -1.246 4.024 1.00 0.00 O ATOM 891 CB VAL A 190 -4.924 -1.132 1.646 1.00 0.00 C ATOM 892 CG1 VAL A 190 -4.498 0.301 1.986 1.00 0.00 C ATOM 893 CG2 VAL A 190 -4.070 -1.667 0.466 1.00 0.00 C ATOM 0 H VAL A 190 -5.186 -0.786 4.535 1.00 0.00 H new ATOM 0 HA VAL A 190 -5.096 -3.043 2.659 1.00 0.00 H new ATOM 0 HB VAL A 190 -5.971 -1.140 1.344 1.00 0.00 H new ATOM 0 HG11 VAL A 190 -4.610 0.933 1.105 1.00 0.00 H new ATOM 0 HG12 VAL A 190 -5.125 0.686 2.790 1.00 0.00 H new ATOM 0 HG13 VAL A 190 -3.456 0.305 2.305 1.00 0.00 H new ATOM 0 HG21 VAL A 190 -4.197 -1.017 -0.399 1.00 0.00 H new ATOM 0 HG22 VAL A 190 -3.019 -1.684 0.756 1.00 0.00 H new ATOM 0 HG23 VAL A 190 -4.393 -2.677 0.212 1.00 0.00 H new ATOM 903 N GLU A 191 -2.610 -3.136 2.802 1.00 0.00 N ATOM 904 CA GLU A 191 -1.187 -3.332 3.088 1.00 0.00 C ATOM 905 C GLU A 191 -0.363 -3.124 1.822 1.00 0.00 C ATOM 906 O GLU A 191 -0.766 -3.542 0.736 1.00 0.00 O ATOM 907 CB GLU A 191 -0.954 -4.744 3.651 1.00 0.00 C ATOM 908 CG GLU A 191 -1.182 -5.821 2.581 1.00 0.00 C ATOM 909 CD GLU A 191 -0.890 -7.198 3.170 1.00 0.00 C ATOM 910 OE1 GLU A 191 -0.027 -7.282 4.028 1.00 0.00 O ATOM 911 OE2 GLU A 191 -1.534 -8.146 2.755 1.00 0.00 O ATOM 0 H GLU A 191 -3.018 -3.852 2.201 1.00 0.00 H new ATOM 0 HA GLU A 191 -0.871 -2.601 3.832 1.00 0.00 H new ATOM 0 HB2 GLU A 191 0.063 -4.821 4.035 1.00 0.00 H new ATOM 0 HB3 GLU A 191 -1.626 -4.917 4.492 1.00 0.00 H new ATOM 0 HG2 GLU A 191 -2.210 -5.779 2.221 1.00 0.00 H new ATOM 0 HG3 GLU A 191 -0.536 -5.637 1.722 1.00 0.00 H new ATOM 918 N PHE A 192 0.792 -2.481 1.963 1.00 0.00 N ATOM 919 CA PHE A 192 1.663 -2.235 0.814 1.00 0.00 C ATOM 920 C PHE A 192 3.118 -2.133 1.246 1.00 0.00 C ATOM 921 O PHE A 192 3.424 -1.650 2.336 1.00 0.00 O ATOM 922 CB PHE A 192 1.248 -0.955 0.083 1.00 0.00 C ATOM 923 CG PHE A 192 1.117 0.200 1.053 1.00 0.00 C ATOM 924 CD1 PHE A 192 0.036 0.248 1.944 1.00 0.00 C ATOM 925 CD2 PHE A 192 2.065 1.232 1.047 1.00 0.00 C ATOM 926 CE1 PHE A 192 -0.092 1.323 2.830 1.00 0.00 C ATOM 927 CE2 PHE A 192 1.935 2.308 1.932 1.00 0.00 C ATOM 928 CZ PHE A 192 0.857 2.352 2.824 1.00 0.00 C ATOM 0 H PHE A 192 1.146 -2.123 2.850 1.00 0.00 H new ATOM 0 HA PHE A 192 1.560 -3.080 0.133 1.00 0.00 H new ATOM 0 HB2 PHE A 192 1.986 -0.712 -0.681 1.00 0.00 H new ATOM 0 HB3 PHE A 192 0.299 -1.115 -0.429 1.00 0.00 H new ATOM 0 HD1 PHE A 192 -0.698 -0.545 1.947 1.00 0.00 H new ATOM 0 HD2 PHE A 192 2.897 1.197 0.359 1.00 0.00 H new ATOM 0 HE1 PHE A 192 -0.923 1.359 3.519 1.00 0.00 H new ATOM 0 HE2 PHE A 192 2.665 3.104 1.927 1.00 0.00 H new ATOM 0 HZ PHE A 192 0.757 3.181 3.509 1.00 0.00 H new ATOM 938 N VAL A 193 4.014 -2.596 0.375 1.00 0.00 N ATOM 939 CA VAL A 193 5.453 -2.565 0.661 1.00 0.00 C ATOM 940 C VAL A 193 6.118 -1.399 -0.061 1.00 0.00 C ATOM 941 O VAL A 193 5.683 -0.994 -1.138 1.00 0.00 O ATOM 942 CB VAL A 193 6.107 -3.875 0.211 1.00 0.00 C ATOM 943 CG1 VAL A 193 7.626 -3.789 0.402 1.00 0.00 C ATOM 944 CG2 VAL A 193 5.557 -5.033 1.047 1.00 0.00 C ATOM 0 H VAL A 193 3.773 -2.996 -0.532 1.00 0.00 H new ATOM 0 HA VAL A 193 5.584 -2.441 1.736 1.00 0.00 H new ATOM 0 HB VAL A 193 5.884 -4.044 -0.842 1.00 0.00 H new ATOM 0 HG11 VAL A 193 8.087 -4.723 0.081 1.00 0.00 H new ATOM 0 HG12 VAL A 193 8.021 -2.966 -0.193 1.00 0.00 H new ATOM 0 HG13 VAL A 193 7.851 -3.617 1.454 1.00 0.00 H new ATOM 0 HG21 VAL A 193 6.022 -5.966 0.727 1.00 0.00 H new ATOM 0 HG22 VAL A 193 5.779 -4.859 2.100 1.00 0.00 H new ATOM 0 HG23 VAL A 193 4.478 -5.100 0.910 1.00 0.00 H new ATOM 954 N CYS A 194 7.182 -0.871 0.542 1.00 0.00 N ATOM 955 CA CYS A 194 7.926 0.246 -0.044 1.00 0.00 C ATOM 956 C CYS A 194 9.366 -0.165 -0.322 1.00 0.00 C ATOM 957 O CYS A 194 9.905 -1.046 0.347 1.00 0.00 O ATOM 958 CB CYS A 194 7.916 1.439 0.916 1.00 0.00 C ATOM 959 SG CYS A 194 6.283 2.218 0.892 1.00 0.00 S ATOM 0 H CYS A 194 7.549 -1.198 1.436 1.00 0.00 H new ATOM 0 HA CYS A 194 7.447 0.528 -0.982 1.00 0.00 H new ATOM 0 HB2 CYS A 194 8.158 1.109 1.926 1.00 0.00 H new ATOM 0 HB3 CYS A 194 8.679 2.160 0.625 1.00 0.00 H new ATOM 964 N CYS A 195 9.992 0.475 -1.312 1.00 0.00 N ATOM 965 CA CYS A 195 11.379 0.161 -1.668 1.00 0.00 C ATOM 966 C CYS A 195 12.148 1.444 -2.029 1.00 0.00 C ATOM 967 O CYS A 195 11.567 2.373 -2.589 1.00 0.00 O ATOM 968 CB CYS A 195 11.389 -0.812 -2.852 1.00 0.00 C ATOM 969 SG CYS A 195 11.016 -2.481 -2.252 1.00 0.00 S ATOM 0 H CYS A 195 9.565 1.208 -1.878 1.00 0.00 H new ATOM 0 HA CYS A 195 11.871 -0.301 -0.812 1.00 0.00 H new ATOM 0 HB2 CYS A 195 10.653 -0.507 -3.596 1.00 0.00 H new ATOM 0 HB3 CYS A 195 12.362 -0.798 -3.342 1.00 0.00 H new ATOM 974 N PRO A 196 13.429 1.523 -1.723 1.00 0.00 N ATOM 975 CA PRO A 196 14.257 2.734 -2.030 1.00 0.00 C ATOM 976 C PRO A 196 14.629 2.832 -3.509 1.00 0.00 C ATOM 977 O PRO A 196 15.414 3.695 -3.902 1.00 0.00 O ATOM 978 CB PRO A 196 15.504 2.529 -1.163 1.00 0.00 C ATOM 979 CG PRO A 196 15.662 1.048 -1.094 1.00 0.00 C ATOM 980 CD PRO A 196 14.240 0.481 -1.056 1.00 0.00 C ATOM 0 HA PRO A 196 13.724 3.661 -1.822 1.00 0.00 H new ATOM 0 HB2 PRO A 196 16.380 3.003 -1.607 1.00 0.00 H new ATOM 0 HB3 PRO A 196 15.375 2.962 -0.171 1.00 0.00 H new ATOM 0 HG2 PRO A 196 16.210 0.672 -1.958 1.00 0.00 H new ATOM 0 HG3 PRO A 196 16.224 0.755 -0.207 1.00 0.00 H new ATOM 0 HD2 PRO A 196 14.175 -0.473 -1.579 1.00 0.00 H new ATOM 0 HD3 PRO A 196 13.906 0.307 -0.033 1.00 0.00 H new ATOM 988 N ASN A 197 14.063 1.948 -4.320 1.00 0.00 N ATOM 989 CA ASN A 197 14.349 1.951 -5.750 1.00 0.00 C ATOM 990 C ASN A 197 14.245 3.369 -6.309 1.00 0.00 C ATOM 991 O ASN A 197 13.131 3.823 -6.514 1.00 0.00 O ATOM 992 CB ASN A 197 13.360 1.033 -6.473 1.00 0.00 C ATOM 993 CG ASN A 197 13.764 -0.427 -6.303 1.00 0.00 C ATOM 994 OD1 ASN A 197 14.874 -0.720 -5.863 1.00 0.00 O ATOM 995 ND2 ASN A 197 12.916 -1.364 -6.629 1.00 0.00 N ATOM 996 OXT ASN A 197 15.280 3.979 -6.521 1.00 0.00 O ATOM 0 H ASN A 197 13.409 1.226 -4.017 1.00 0.00 H new ATOM 0 HA ASN A 197 15.364 1.587 -5.909 1.00 0.00 H new ATOM 0 HB2 ASN A 197 12.356 1.187 -6.077 1.00 0.00 H new ATOM 0 HB3 ASN A 197 13.327 1.286 -7.533 1.00 0.00 H new ATOM 0 HD21 ASN A 197 13.173 -2.345 -6.519 1.00 0.00 H new ATOM 0 HD22 ASN A 197 11.996 -1.115 -6.994 1.00 0.00 H new TER 1003 ASN A 197