USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 477 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 94 LYS NZ :NH3+ -164:sc= 0.0371 (180deg=-0.542) USER MOD Set 1.2: A 107 HIS :FLIP no HD1:sc= -0.0438 F(o=-3.9,f=-0.0067) USER MOD Single : A 97 ASN :FLIP amide:sc= -1.7 F(o=-2.9,f=-1.7) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.554 USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 84:sc= 0.719 USER MOD Single : A 111 ASN : amide:sc= -0.0544 K(o=-0.054,f=-1.1) USER MOD Single : A 115 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0441) USER MOD Single : A 117 THR OG1 : rot -160:sc= -1.72 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 137 ASN : amide:sc=-0.00177 K(o=-0.0018,f=-0.85) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -4.42! C(o=-4.4!,f=-9.7!) USER MOD Single : A 144 MET CE :methyl -108:sc= -0.634 (180deg=-1.4) USER MOD Single : A 145 MET CE :methyl -162:sc= -0.211 (180deg=-0.898) USER MOD ----------------------------------------------------------------- ATOM 52 N GLU A 82 7.635 14.074 0.525 1.00 0.00 N ATOM 53 CA GLU A 82 6.545 13.317 1.124 1.00 0.00 C ATOM 54 C GLU A 82 5.317 13.363 0.220 1.00 0.00 C ATOM 55 O GLU A 82 4.423 12.521 0.324 1.00 0.00 O ATOM 56 CB GLU A 82 6.203 13.932 2.488 1.00 0.00 C ATOM 57 CG GLU A 82 5.132 13.099 3.194 1.00 0.00 C ATOM 58 CD GLU A 82 4.832 13.693 4.568 1.00 0.00 C ATOM 59 OE1 GLU A 82 5.256 14.810 4.820 1.00 0.00 O ATOM 60 OE2 GLU A 82 4.180 13.020 5.351 1.00 0.00 O ATOM 0 HA GLU A 82 6.850 12.278 1.250 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.099 13.983 3.106 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.849 14.954 2.355 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.223 13.075 2.593 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.472 12.069 3.300 1.00 0.00 H new ATOM 67 N GLU A 83 5.273 14.358 -0.660 1.00 0.00 N ATOM 68 CA GLU A 83 4.140 14.519 -1.567 1.00 0.00 C ATOM 69 C GLU A 83 4.011 13.329 -2.528 1.00 0.00 C ATOM 70 O GLU A 83 2.944 12.723 -2.612 1.00 0.00 O ATOM 71 CB GLU A 83 4.299 15.816 -2.364 1.00 0.00 C ATOM 72 CG GLU A 83 3.027 16.109 -3.164 1.00 0.00 C ATOM 73 CD GLU A 83 1.900 16.516 -2.219 1.00 0.00 C ATOM 74 OE1 GLU A 83 2.170 16.685 -1.042 1.00 0.00 O ATOM 75 OE2 GLU A 83 0.782 16.653 -2.689 1.00 0.00 O ATOM 0 H GLU A 83 6.004 15.062 -0.765 1.00 0.00 H new ATOM 0 HA GLU A 83 3.231 14.563 -0.967 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.509 16.644 -1.686 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.150 15.733 -3.040 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.215 16.906 -3.884 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.734 15.227 -3.734 1.00 0.00 H new ATOM 82 N GLU A 84 5.082 12.986 -3.249 1.00 0.00 N ATOM 83 CA GLU A 84 5.009 11.858 -4.177 1.00 0.00 C ATOM 84 C GLU A 84 4.363 10.669 -3.478 1.00 0.00 C ATOM 85 O GLU A 84 3.468 10.022 -4.023 1.00 0.00 O ATOM 86 CB GLU A 84 6.407 11.457 -4.657 1.00 0.00 C ATOM 87 CG GLU A 84 6.295 10.324 -5.685 1.00 0.00 C ATOM 88 CD GLU A 84 7.676 9.928 -6.195 1.00 0.00 C ATOM 89 OE1 GLU A 84 8.615 10.671 -5.957 1.00 0.00 O ATOM 90 OE2 GLU A 84 7.778 8.882 -6.815 1.00 0.00 O ATOM 0 H GLU A 84 5.985 13.459 -3.210 1.00 0.00 H new ATOM 0 HA GLU A 84 4.414 12.158 -5.039 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.910 12.316 -5.101 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.014 11.135 -3.811 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.807 9.461 -5.232 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.670 10.642 -6.519 1.00 0.00 H new ATOM 97 N ILE A 85 4.809 10.404 -2.256 1.00 0.00 N ATOM 98 CA ILE A 85 4.262 9.295 -1.481 1.00 0.00 C ATOM 99 C ILE A 85 2.745 9.465 -1.374 1.00 0.00 C ATOM 100 O ILE A 85 1.983 8.541 -1.641 1.00 0.00 O ATOM 101 CB ILE A 85 4.867 9.304 -0.065 1.00 0.00 C ATOM 102 CG1 ILE A 85 6.397 9.283 -0.150 1.00 0.00 C ATOM 103 CG2 ILE A 85 4.397 8.077 0.724 1.00 0.00 C ATOM 104 CD1 ILE A 85 6.985 9.334 1.266 1.00 0.00 C ATOM 0 H ILE A 85 5.540 10.935 -1.783 1.00 0.00 H new ATOM 0 HA ILE A 85 4.502 8.353 -1.974 1.00 0.00 H new ATOM 0 HB ILE A 85 4.537 10.210 0.443 1.00 0.00 H new ATOM 0 HG12 ILE A 85 6.732 8.381 -0.663 1.00 0.00 H new ATOM 0 HG13 ILE A 85 6.752 10.132 -0.734 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.833 8.098 1.723 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.310 8.089 0.802 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.713 7.170 0.209 1.00 0.00 H new ATOM 0 HD11 ILE A 85 8.073 9.319 1.209 1.00 0.00 H new ATOM 0 HD12 ILE A 85 6.660 10.249 1.762 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.640 8.471 1.835 1.00 0.00 H new ATOM 116 N ARG A 86 2.315 10.658 -0.994 1.00 0.00 N ATOM 117 CA ARG A 86 0.888 10.930 -0.852 1.00 0.00 C ATOM 118 C ARG A 86 0.162 10.683 -2.182 1.00 0.00 C ATOM 119 O ARG A 86 -0.961 10.171 -2.204 1.00 0.00 O ATOM 120 CB ARG A 86 0.688 12.382 -0.382 1.00 0.00 C ATOM 121 CG ARG A 86 1.166 12.530 1.078 1.00 0.00 C ATOM 122 CD ARG A 86 0.566 13.784 1.706 1.00 0.00 C ATOM 123 NE ARG A 86 0.638 14.902 0.779 1.00 0.00 N ATOM 124 CZ ARG A 86 -0.158 15.962 0.916 1.00 0.00 C ATOM 125 NH1 ARG A 86 -0.972 16.048 1.941 1.00 0.00 N ATOM 126 NH2 ARG A 86 -0.117 16.923 0.037 1.00 0.00 N ATOM 0 H ARG A 86 2.924 11.448 -0.780 1.00 0.00 H new ATOM 0 HA ARG A 86 0.464 10.256 -0.108 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.244 13.062 -1.027 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.364 12.657 -0.460 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.875 11.652 1.654 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.254 12.585 1.108 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.472 13.599 1.982 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.100 14.030 2.624 1.00 0.00 H new ATOM 0 HE ARG A 86 1.309 14.874 0.011 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.997 15.302 2.636 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.580 16.861 2.043 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.524 16.863 -0.754 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.726 17.735 0.140 1.00 0.00 H new ATOM 140 N GLU A 87 0.813 11.017 -3.291 1.00 0.00 N ATOM 141 CA GLU A 87 0.219 10.804 -4.606 1.00 0.00 C ATOM 142 C GLU A 87 0.263 9.327 -5.002 1.00 0.00 C ATOM 143 O GLU A 87 -0.773 8.672 -5.120 1.00 0.00 O ATOM 144 CB GLU A 87 0.970 11.645 -5.646 1.00 0.00 C ATOM 145 CG GLU A 87 0.718 13.133 -5.385 1.00 0.00 C ATOM 146 CD GLU A 87 -0.742 13.480 -5.669 1.00 0.00 C ATOM 147 OE1 GLU A 87 -1.371 12.739 -6.407 1.00 0.00 O ATOM 148 OE2 GLU A 87 -1.208 14.478 -5.149 1.00 0.00 O ATOM 0 H GLU A 87 1.744 11.433 -3.307 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.826 11.110 -4.566 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.038 11.433 -5.597 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.638 11.381 -6.650 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.962 13.374 -4.350 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.372 13.736 -6.015 1.00 0.00 H new ATOM 155 N ALA A 88 1.473 8.821 -5.224 1.00 0.00 N ATOM 156 CA ALA A 88 1.672 7.426 -5.632 1.00 0.00 C ATOM 157 C ALA A 88 0.674 6.506 -4.934 1.00 0.00 C ATOM 158 O ALA A 88 -0.026 5.728 -5.583 1.00 0.00 O ATOM 159 CB ALA A 88 3.102 6.996 -5.303 1.00 0.00 C ATOM 0 H ALA A 88 2.336 9.356 -5.129 1.00 0.00 H new ATOM 0 HA ALA A 88 1.507 7.350 -6.707 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.249 5.959 -5.606 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.806 7.634 -5.838 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.272 7.088 -4.230 1.00 0.00 H new ATOM 165 N PHE A 89 0.606 6.604 -3.606 1.00 0.00 N ATOM 166 CA PHE A 89 -0.321 5.780 -2.840 1.00 0.00 C ATOM 167 C PHE A 89 -1.781 6.137 -3.165 1.00 0.00 C ATOM 168 O PHE A 89 -2.612 5.252 -3.365 1.00 0.00 O ATOM 169 CB PHE A 89 -0.044 5.945 -1.341 1.00 0.00 C ATOM 170 CG PHE A 89 1.051 4.983 -0.923 1.00 0.00 C ATOM 171 CD1 PHE A 89 0.762 3.623 -0.759 1.00 0.00 C ATOM 172 CD2 PHE A 89 2.351 5.447 -0.710 1.00 0.00 C ATOM 173 CE1 PHE A 89 1.773 2.733 -0.384 1.00 0.00 C ATOM 174 CE2 PHE A 89 3.361 4.559 -0.337 1.00 0.00 C ATOM 175 CZ PHE A 89 3.075 3.202 -0.174 1.00 0.00 C ATOM 0 H PHE A 89 1.176 7.239 -3.046 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.168 4.737 -3.118 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.256 6.971 -1.126 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.951 5.752 -0.769 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.242 3.261 -0.922 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.575 6.496 -0.834 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.549 1.684 -0.256 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.365 4.922 -0.174 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.857 2.515 0.114 1.00 0.00 H new ATOM 185 N ARG A 90 -2.093 7.433 -3.235 1.00 0.00 N ATOM 186 CA ARG A 90 -3.459 7.840 -3.553 1.00 0.00 C ATOM 187 C ARG A 90 -3.908 7.155 -4.849 1.00 0.00 C ATOM 188 O ARG A 90 -5.017 6.625 -4.933 1.00 0.00 O ATOM 189 CB ARG A 90 -3.532 9.369 -3.697 1.00 0.00 C ATOM 190 CG ARG A 90 -3.925 10.004 -2.353 1.00 0.00 C ATOM 191 CD ARG A 90 -3.989 11.510 -2.515 1.00 0.00 C ATOM 192 NE ARG A 90 -4.327 12.159 -1.247 1.00 0.00 N ATOM 193 CZ ARG A 90 -5.596 12.285 -0.848 1.00 0.00 C ATOM 194 NH1 ARG A 90 -6.563 11.825 -1.598 1.00 0.00 N ATOM 195 NH2 ARG A 90 -5.874 12.871 0.288 1.00 0.00 N ATOM 0 H ARG A 90 -1.437 8.199 -3.080 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.126 7.539 -2.745 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.568 9.758 -4.025 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.261 9.636 -4.462 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.891 9.620 -2.024 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.198 9.739 -1.585 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -3.029 11.882 -2.874 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.733 11.767 -3.269 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.579 12.522 -0.656 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.348 11.371 -2.486 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.532 11.920 -1.295 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.121 13.234 0.873 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.844 12.965 0.589 1.00 0.00 H new ATOM 209 N VAL A 91 -3.031 7.163 -5.845 1.00 0.00 N ATOM 210 CA VAL A 91 -3.328 6.535 -7.127 1.00 0.00 C ATOM 211 C VAL A 91 -3.524 5.030 -6.949 1.00 0.00 C ATOM 212 O VAL A 91 -4.435 4.437 -7.525 1.00 0.00 O ATOM 213 CB VAL A 91 -2.180 6.794 -8.108 1.00 0.00 C ATOM 214 CG1 VAL A 91 -2.426 6.036 -9.415 1.00 0.00 C ATOM 215 CG2 VAL A 91 -2.091 8.294 -8.404 1.00 0.00 C ATOM 0 H VAL A 91 -2.109 7.597 -5.790 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.248 6.965 -7.523 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.247 6.449 -7.662 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.605 6.226 -10.106 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.487 4.967 -9.210 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.361 6.374 -9.861 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.274 8.479 -9.102 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.028 8.634 -8.844 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.907 8.837 -7.477 1.00 0.00 H new ATOM 225 N PHE A 92 -2.655 4.422 -6.148 1.00 0.00 N ATOM 226 CA PHE A 92 -2.726 2.980 -5.899 1.00 0.00 C ATOM 227 C PHE A 92 -4.124 2.583 -5.435 1.00 0.00 C ATOM 228 O PHE A 92 -4.744 1.695 -6.020 1.00 0.00 O ATOM 229 CB PHE A 92 -1.681 2.591 -4.831 1.00 0.00 C ATOM 230 CG PHE A 92 -0.383 2.207 -5.498 1.00 0.00 C ATOM 231 CD1 PHE A 92 0.079 2.932 -6.605 1.00 0.00 C ATOM 232 CD2 PHE A 92 0.351 1.117 -5.019 1.00 0.00 C ATOM 233 CE1 PHE A 92 1.273 2.563 -7.232 1.00 0.00 C ATOM 234 CE2 PHE A 92 1.546 0.752 -5.643 1.00 0.00 C ATOM 235 CZ PHE A 92 2.007 1.472 -6.752 1.00 0.00 C ATOM 0 H PHE A 92 -1.896 4.899 -5.661 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.511 2.450 -6.827 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.517 3.426 -4.150 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.052 1.759 -4.232 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.487 3.775 -6.973 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.006 0.558 -4.167 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.629 3.120 -8.086 1.00 0.00 H new ATOM 0 HE2 PHE A 92 2.115 -0.087 -5.270 1.00 0.00 H new ATOM 0 HZ PHE A 92 2.929 1.186 -7.237 1.00 0.00 H new ATOM 245 N ASP A 93 -4.624 3.240 -4.395 1.00 0.00 N ATOM 246 CA ASP A 93 -5.952 2.923 -3.897 1.00 0.00 C ATOM 247 C ASP A 93 -6.949 2.966 -5.049 1.00 0.00 C ATOM 248 O ASP A 93 -7.508 4.015 -5.355 1.00 0.00 O ATOM 249 CB ASP A 93 -6.361 3.930 -2.820 1.00 0.00 C ATOM 250 CG ASP A 93 -7.784 3.653 -2.338 1.00 0.00 C ATOM 251 OD1 ASP A 93 -8.420 2.779 -2.896 1.00 0.00 O ATOM 252 OD2 ASP A 93 -8.214 4.321 -1.414 1.00 0.00 O ATOM 0 H ASP A 93 -4.139 3.982 -3.890 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.944 1.924 -3.461 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.669 3.873 -1.980 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.297 4.943 -3.218 1.00 0.00 H new ATOM 257 N LYS A 94 -7.139 1.825 -5.705 1.00 0.00 N ATOM 258 CA LYS A 94 -8.046 1.747 -6.850 1.00 0.00 C ATOM 259 C LYS A 94 -9.319 2.542 -6.566 1.00 0.00 C ATOM 260 O LYS A 94 -9.755 3.367 -7.374 1.00 0.00 O ATOM 261 CB LYS A 94 -8.398 0.258 -7.121 1.00 0.00 C ATOM 262 CG LYS A 94 -8.145 -0.113 -8.589 1.00 0.00 C ATOM 263 CD LYS A 94 -6.651 -0.360 -8.800 1.00 0.00 C ATOM 264 CE LYS A 94 -6.364 -0.513 -10.291 1.00 0.00 C ATOM 265 NZ LYS A 94 -7.216 -1.598 -10.847 1.00 0.00 N ATOM 0 H LYS A 94 -6.681 0.945 -5.467 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.560 2.172 -7.728 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.801 -0.384 -6.473 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.444 0.078 -6.872 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.713 -1.005 -8.853 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.488 0.689 -9.243 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.074 0.469 -8.391 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.341 -1.258 -8.266 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.565 0.424 -10.810 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.311 -0.745 -10.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.845 -1.891 -11.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.210 -2.411 -10.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.190 -1.252 -10.959 1.00 0.00 H new ATOM 279 N ASP A 95 -9.902 2.277 -5.407 1.00 0.00 N ATOM 280 CA ASP A 95 -11.123 2.951 -4.994 1.00 0.00 C ATOM 281 C ASP A 95 -10.840 4.427 -4.714 1.00 0.00 C ATOM 282 O ASP A 95 -11.740 5.267 -4.773 1.00 0.00 O ATOM 283 CB ASP A 95 -11.666 2.274 -3.736 1.00 0.00 C ATOM 284 CG ASP A 95 -11.850 0.777 -3.989 1.00 0.00 C ATOM 285 OD1 ASP A 95 -12.447 0.435 -4.997 1.00 0.00 O ATOM 286 OD2 ASP A 95 -11.385 -0.002 -3.174 1.00 0.00 O ATOM 0 H ASP A 95 -9.548 1.598 -4.734 1.00 0.00 H new ATOM 0 HA ASP A 95 -11.862 2.886 -5.792 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -10.980 2.429 -2.904 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -12.618 2.723 -3.452 1.00 0.00 H new ATOM 291 N GLY A 96 -9.579 4.731 -4.422 1.00 0.00 N ATOM 292 CA GLY A 96 -9.168 6.103 -4.147 1.00 0.00 C ATOM 293 C GLY A 96 -10.037 6.746 -3.074 1.00 0.00 C ATOM 294 O GLY A 96 -10.640 7.789 -3.310 1.00 0.00 O ATOM 0 H GLY A 96 -8.825 4.046 -4.370 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -8.126 6.114 -3.827 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -9.226 6.691 -5.063 1.00 0.00 H new ATOM 298 N ASN A 97 -10.092 6.124 -1.885 1.00 0.00 N ATOM 299 CA ASN A 97 -10.895 6.662 -0.779 1.00 0.00 C ATOM 300 C ASN A 97 -10.017 7.133 0.387 1.00 0.00 C ATOM 301 O ASN A 97 -10.525 7.389 1.479 1.00 0.00 O ATOM 302 CB ASN A 97 -11.906 5.614 -0.303 1.00 0.00 C ATOM 303 CG ASN A 97 -11.246 4.250 -0.146 1.00 0.00 C ATOM 304 OD1 ASN A 97 -10.242 4.114 0.663 1.00 0.00 O flip ATOM 305 ND2 ASN A 97 -11.658 3.277 -0.779 1.00 0.00 N flip ATOM 0 H ASN A 97 -9.596 5.259 -1.668 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.433 7.533 -1.152 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -12.337 5.925 0.649 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.727 5.545 -1.017 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -12.448 3.380 -1.416 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -11.210 2.368 -0.666 1.00 0.00 H new ATOM 312 N GLY A 98 -8.709 7.275 0.151 1.00 0.00 N ATOM 313 CA GLY A 98 -7.801 7.746 1.195 1.00 0.00 C ATOM 314 C GLY A 98 -7.373 6.612 2.117 1.00 0.00 C ATOM 315 O GLY A 98 -7.136 6.822 3.305 1.00 0.00 O ATOM 0 H GLY A 98 -8.262 7.073 -0.743 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -6.920 8.196 0.737 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.290 8.526 1.779 1.00 0.00 H new ATOM 319 N TYR A 99 -7.273 5.413 1.558 1.00 0.00 N ATOM 320 CA TYR A 99 -6.865 4.246 2.332 1.00 0.00 C ATOM 321 C TYR A 99 -6.346 3.159 1.399 1.00 0.00 C ATOM 322 O TYR A 99 -6.576 3.229 0.192 1.00 0.00 O ATOM 323 CB TYR A 99 -8.046 3.722 3.142 1.00 0.00 C ATOM 324 CG TYR A 99 -8.404 4.721 4.220 1.00 0.00 C ATOM 325 CD1 TYR A 99 -7.741 4.684 5.450 1.00 0.00 C ATOM 326 CD2 TYR A 99 -9.397 5.682 3.985 1.00 0.00 C ATOM 327 CE1 TYR A 99 -8.071 5.608 6.450 1.00 0.00 C ATOM 328 CE2 TYR A 99 -9.728 6.605 4.984 1.00 0.00 C ATOM 329 CZ TYR A 99 -9.064 6.569 6.217 1.00 0.00 C ATOM 330 OH TYR A 99 -9.388 7.479 7.202 1.00 0.00 O ATOM 0 H TYR A 99 -7.468 5.222 0.575 1.00 0.00 H new ATOM 0 HA TYR A 99 -6.067 4.533 3.016 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -8.902 3.554 2.489 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -7.794 2.761 3.591 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -6.975 3.944 5.629 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -9.907 5.710 3.033 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -7.560 5.580 7.401 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -10.495 7.344 4.804 1.00 0.00 H new ATOM 0 HH TYR A 99 -10.095 8.075 6.877 1.00 0.00 H new ATOM 340 N ILE A 100 -5.616 2.171 1.941 1.00 0.00 N ATOM 341 CA ILE A 100 -5.053 1.100 1.102 1.00 0.00 C ATOM 342 C ILE A 100 -5.377 -0.280 1.641 1.00 0.00 C ATOM 343 O ILE A 100 -5.078 -0.576 2.799 1.00 0.00 O ATOM 344 CB ILE A 100 -3.531 1.263 1.037 1.00 0.00 C ATOM 345 CG1 ILE A 100 -3.169 2.661 0.480 1.00 0.00 C ATOM 346 CG2 ILE A 100 -2.930 0.182 0.132 1.00 0.00 C ATOM 347 CD1 ILE A 100 -3.345 2.699 -1.044 1.00 0.00 C ATOM 0 H ILE A 100 -5.405 2.091 2.936 1.00 0.00 H new ATOM 0 HA ILE A 100 -5.499 1.186 0.111 1.00 0.00 H new ATOM 0 HB ILE A 100 -3.124 1.162 2.043 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -3.802 3.418 0.943 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.139 2.905 0.738 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -1.848 0.303 0.090 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.169 -0.803 0.533 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.345 0.276 -0.872 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.085 3.690 -1.416 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.693 1.957 -1.504 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.382 2.477 -1.296 1.00 0.00 H new ATOM 359 N SER A 101 -5.966 -1.125 0.774 1.00 0.00 N ATOM 360 CA SER A 101 -6.323 -2.501 1.139 1.00 0.00 C ATOM 361 C SER A 101 -5.376 -3.496 0.472 1.00 0.00 C ATOM 362 O SER A 101 -4.665 -3.154 -0.472 1.00 0.00 O ATOM 363 CB SER A 101 -7.758 -2.820 0.704 1.00 0.00 C ATOM 364 OG SER A 101 -7.751 -3.306 -0.627 1.00 0.00 O ATOM 0 H SER A 101 -6.204 -0.874 -0.186 1.00 0.00 H new ATOM 0 HA SER A 101 -6.242 -2.588 2.222 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.195 -3.563 1.371 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.378 -1.926 0.773 1.00 0.00 H new ATOM 0 HG SER A 101 -8.668 -3.512 -0.905 1.00 0.00 H new ATOM 370 N ALA A 102 -5.373 -4.722 0.981 1.00 0.00 N ATOM 371 CA ALA A 102 -4.512 -5.775 0.448 1.00 0.00 C ATOM 372 C ALA A 102 -4.915 -6.181 -0.970 1.00 0.00 C ATOM 373 O ALA A 102 -4.055 -6.453 -1.808 1.00 0.00 O ATOM 374 CB ALA A 102 -4.564 -7.003 1.387 1.00 0.00 C ATOM 0 H ALA A 102 -5.958 -5.014 1.764 1.00 0.00 H new ATOM 0 HA ALA A 102 -3.495 -5.386 0.397 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.922 -7.791 0.992 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -4.217 -6.717 2.380 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.589 -7.368 1.452 1.00 0.00 H new ATOM 380 N ALA A 103 -6.212 -6.241 -1.228 1.00 0.00 N ATOM 381 CA ALA A 103 -6.700 -6.640 -2.535 1.00 0.00 C ATOM 382 C ALA A 103 -6.168 -5.722 -3.638 1.00 0.00 C ATOM 383 O ALA A 103 -5.916 -6.165 -4.763 1.00 0.00 O ATOM 384 CB ALA A 103 -8.230 -6.614 -2.520 1.00 0.00 C ATOM 0 H ALA A 103 -6.942 -6.019 -0.551 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.343 -7.647 -2.749 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.609 -6.912 -3.498 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.598 -7.305 -1.762 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.575 -5.606 -2.290 1.00 0.00 H new ATOM 390 N GLU A 104 -6.013 -4.442 -3.316 1.00 0.00 N ATOM 391 CA GLU A 104 -5.525 -3.478 -4.292 1.00 0.00 C ATOM 392 C GLU A 104 -4.058 -3.730 -4.633 1.00 0.00 C ATOM 393 O GLU A 104 -3.639 -3.509 -5.769 1.00 0.00 O ATOM 394 CB GLU A 104 -5.682 -2.054 -3.743 1.00 0.00 C ATOM 395 CG GLU A 104 -7.162 -1.773 -3.495 1.00 0.00 C ATOM 396 CD GLU A 104 -7.361 -0.362 -2.936 1.00 0.00 C ATOM 397 OE1 GLU A 104 -6.709 -0.031 -1.959 1.00 0.00 O ATOM 398 OE2 GLU A 104 -8.152 0.370 -3.502 1.00 0.00 O ATOM 0 H GLU A 104 -6.216 -4.052 -2.396 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.116 -3.592 -5.201 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.118 -1.944 -2.817 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.276 -1.331 -4.451 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.718 -1.882 -4.426 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.564 -2.506 -2.796 1.00 0.00 H new ATOM 405 N LEU A 105 -3.277 -4.175 -3.645 1.00 0.00 N ATOM 406 CA LEU A 105 -1.856 -4.425 -3.870 1.00 0.00 C ATOM 407 C LEU A 105 -1.645 -5.551 -4.874 1.00 0.00 C ATOM 408 O LEU A 105 -0.930 -5.389 -5.857 1.00 0.00 O ATOM 409 CB LEU A 105 -1.183 -4.798 -2.554 1.00 0.00 C ATOM 410 CG LEU A 105 -1.535 -3.769 -1.477 1.00 0.00 C ATOM 411 CD1 LEU A 105 -0.726 -4.059 -0.207 1.00 0.00 C ATOM 412 CD2 LEU A 105 -1.226 -2.350 -1.980 1.00 0.00 C ATOM 0 H LEU A 105 -3.600 -4.366 -2.697 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.415 -3.513 -4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.505 -5.791 -2.240 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -0.102 -4.841 -2.688 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.599 -3.838 -1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.977 -3.326 0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.964 -5.059 0.155 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.339 -3.998 -0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.480 -1.626 -1.206 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.165 -2.271 -2.216 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.813 -2.145 -2.875 1.00 0.00 H new ATOM 424 N ARG A 106 -2.264 -6.693 -4.637 1.00 0.00 N ATOM 425 CA ARG A 106 -2.109 -7.816 -5.549 1.00 0.00 C ATOM 426 C ARG A 106 -2.624 -7.459 -6.940 1.00 0.00 C ATOM 427 O ARG A 106 -1.965 -7.742 -7.942 1.00 0.00 O ATOM 428 CB ARG A 106 -2.855 -9.045 -5.009 1.00 0.00 C ATOM 429 CG ARG A 106 -4.340 -8.729 -4.795 1.00 0.00 C ATOM 430 CD ARG A 106 -5.027 -9.921 -4.137 1.00 0.00 C ATOM 431 NE ARG A 106 -6.463 -9.698 -4.076 1.00 0.00 N ATOM 432 CZ ARG A 106 -7.292 -10.610 -3.554 1.00 0.00 C ATOM 433 NH1 ARG A 106 -6.822 -11.716 -3.030 1.00 0.00 N ATOM 434 NH2 ARG A 106 -8.583 -10.388 -3.559 1.00 0.00 N ATOM 0 H ARG A 106 -2.870 -6.868 -3.835 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.047 -8.051 -5.625 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.752 -9.875 -5.708 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.407 -9.364 -4.068 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -4.447 -7.843 -4.169 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -4.816 -8.504 -5.750 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -4.816 -10.830 -4.701 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -4.631 -10.070 -3.132 1.00 0.00 H new ATOM 0 HE ARG A 106 -6.847 -8.826 -4.440 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -5.817 -11.887 -3.018 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -7.462 -12.405 -2.635 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -8.950 -9.525 -3.959 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -9.221 -11.079 -3.163 1.00 0.00 H new ATOM 448 N HIS A 107 -3.798 -6.840 -7.004 1.00 0.00 N ATOM 449 CA HIS A 107 -4.385 -6.461 -8.286 1.00 0.00 C ATOM 450 C HIS A 107 -3.530 -5.423 -9.008 1.00 0.00 C ATOM 451 O HIS A 107 -3.172 -5.610 -10.169 1.00 0.00 O ATOM 452 CB HIS A 107 -5.776 -5.874 -8.047 1.00 0.00 C ATOM 453 CG HIS A 107 -6.440 -5.555 -9.364 1.00 0.00 C ATOM 454 ND1 HIS A 107 -6.523 -4.391 -10.091 1.00 0.00 N flip ATOM 455 CD2 HIS A 107 -7.139 -6.504 -10.094 1.00 0.00 C flip ATOM 456 CE1 HIS A 107 -7.255 -4.614 -11.251 1.00 0.00 C flip ATOM 457 NE2 HIS A 107 -7.603 -5.904 -11.205 1.00 0.00 N flip ATOM 0 H HIS A 107 -4.359 -6.591 -6.190 1.00 0.00 H new ATOM 0 HA HIS A 107 -4.443 -7.354 -8.909 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -6.386 -6.582 -7.486 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -5.699 -4.971 -7.442 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -7.285 -7.538 -9.820 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -7.492 -3.898 -12.024 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -8.153 -6.375 -11.924 1.00 0.00 H new ATOM 466 N VAL A 108 -3.200 -4.338 -8.319 1.00 0.00 N ATOM 467 CA VAL A 108 -2.385 -3.291 -8.931 1.00 0.00 C ATOM 468 C VAL A 108 -1.000 -3.827 -9.292 1.00 0.00 C ATOM 469 O VAL A 108 -0.508 -3.578 -10.385 1.00 0.00 O ATOM 470 CB VAL A 108 -2.267 -2.072 -7.995 1.00 0.00 C ATOM 471 CG1 VAL A 108 -1.233 -2.333 -6.910 1.00 0.00 C ATOM 472 CG2 VAL A 108 -1.846 -0.844 -8.798 1.00 0.00 C ATOM 0 H VAL A 108 -3.477 -4.159 -7.354 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.879 -2.970 -9.848 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.238 -1.898 -7.531 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.162 -1.462 -6.258 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.532 -3.202 -6.324 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.263 -2.522 -7.370 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.764 0.015 -8.132 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.881 -1.031 -9.270 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.592 -0.638 -9.566 1.00 0.00 H new ATOM 482 N MET A 109 -0.369 -4.545 -8.368 1.00 0.00 N ATOM 483 CA MET A 109 0.963 -5.080 -8.627 1.00 0.00 C ATOM 484 C MET A 109 0.918 -5.981 -9.864 1.00 0.00 C ATOM 485 O MET A 109 1.727 -5.843 -10.784 1.00 0.00 O ATOM 486 CB MET A 109 1.436 -5.885 -7.415 1.00 0.00 C ATOM 487 CG MET A 109 1.882 -4.937 -6.294 1.00 0.00 C ATOM 488 SD MET A 109 3.436 -4.137 -6.766 1.00 0.00 S ATOM 489 CE MET A 109 3.714 -3.243 -5.216 1.00 0.00 C ATOM 0 H MET A 109 -0.750 -4.767 -7.448 1.00 0.00 H new ATOM 0 HA MET A 109 1.658 -4.259 -8.805 1.00 0.00 H new ATOM 0 HB2 MET A 109 0.631 -6.528 -7.059 1.00 0.00 H new ATOM 0 HB3 MET A 109 2.262 -6.536 -7.701 1.00 0.00 H new ATOM 0 HG2 MET A 109 1.114 -4.185 -6.111 1.00 0.00 H new ATOM 0 HG3 MET A 109 2.013 -5.491 -5.365 1.00 0.00 H new ATOM 0 HE1 MET A 109 4.639 -2.670 -5.287 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.881 -2.565 -5.033 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.790 -3.955 -4.394 1.00 0.00 H new ATOM 499 N THR A 110 -0.048 -6.891 -9.889 1.00 0.00 N ATOM 500 CA THR A 110 -0.203 -7.789 -11.028 1.00 0.00 C ATOM 501 C THR A 110 -0.524 -6.976 -12.280 1.00 0.00 C ATOM 502 O THR A 110 0.015 -7.229 -13.356 1.00 0.00 O ATOM 503 CB THR A 110 -1.319 -8.800 -10.758 1.00 0.00 C ATOM 504 OG1 THR A 110 -0.964 -9.606 -9.645 1.00 0.00 O ATOM 505 CG2 THR A 110 -1.521 -9.689 -11.990 1.00 0.00 C ATOM 0 H THR A 110 -0.730 -7.027 -9.142 1.00 0.00 H new ATOM 0 HA THR A 110 0.729 -8.334 -11.182 1.00 0.00 H new ATOM 0 HB THR A 110 -2.246 -8.268 -10.544 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.209 -9.145 -8.816 1.00 0.00 H new ATOM 0 HG21 THR A 110 -2.317 -10.408 -11.794 1.00 0.00 H new ATOM 0 HG22 THR A 110 -1.794 -9.070 -12.845 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.596 -10.223 -12.209 1.00 0.00 H new ATOM 513 N ASN A 111 -1.402 -5.992 -12.122 1.00 0.00 N ATOM 514 CA ASN A 111 -1.791 -5.128 -13.235 1.00 0.00 C ATOM 515 C ASN A 111 -0.584 -4.347 -13.743 1.00 0.00 C ATOM 516 O ASN A 111 -0.402 -4.164 -14.946 1.00 0.00 O ATOM 517 CB ASN A 111 -2.875 -4.153 -12.780 1.00 0.00 C ATOM 518 CG ASN A 111 -3.505 -3.460 -13.985 1.00 0.00 C ATOM 519 OD1 ASN A 111 -3.676 -4.076 -15.039 1.00 0.00 O ATOM 520 ND2 ASN A 111 -3.867 -2.210 -13.890 1.00 0.00 N ATOM 0 H ASN A 111 -1.858 -5.771 -11.237 1.00 0.00 H new ATOM 0 HA ASN A 111 -2.178 -5.750 -14.042 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -3.641 -4.687 -12.218 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -2.446 -3.410 -12.108 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -4.293 -1.740 -14.689 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -3.724 -1.703 -13.017 1.00 0.00 H new ATOM 527 N LEU A 112 0.241 -3.902 -12.807 1.00 0.00 N ATOM 528 CA LEU A 112 1.438 -3.142 -13.138 1.00 0.00 C ATOM 529 C LEU A 112 2.350 -3.971 -14.022 1.00 0.00 C ATOM 530 O LEU A 112 3.001 -3.440 -14.922 1.00 0.00 O ATOM 531 CB LEU A 112 2.176 -2.757 -11.843 1.00 0.00 C ATOM 532 CG LEU A 112 1.572 -1.468 -11.242 1.00 0.00 C ATOM 533 CD1 LEU A 112 1.865 -1.407 -9.734 1.00 0.00 C ATOM 534 CD2 LEU A 112 2.184 -0.233 -11.927 1.00 0.00 C ATOM 0 H LEU A 112 0.103 -4.055 -11.808 1.00 0.00 H new ATOM 0 HA LEU A 112 1.152 -2.237 -13.675 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.105 -3.570 -11.121 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.235 -2.607 -12.051 1.00 0.00 H new ATOM 0 HG LEU A 112 0.494 -1.477 -11.404 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.436 -0.496 -9.317 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.424 -2.274 -9.242 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.943 -1.408 -9.572 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.753 0.672 -11.498 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.263 -0.229 -11.774 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.970 -0.266 -12.995 1.00 0.00 H new ATOM 546 N GLY A 113 2.396 -5.270 -13.761 1.00 0.00 N ATOM 547 CA GLY A 113 3.242 -6.170 -14.543 1.00 0.00 C ATOM 548 C GLY A 113 3.958 -7.168 -13.645 1.00 0.00 C ATOM 549 O GLY A 113 4.709 -8.012 -14.127 1.00 0.00 O ATOM 0 H GLY A 113 1.863 -5.725 -13.020 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.633 -6.704 -15.272 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.975 -5.590 -15.104 1.00 0.00 H new ATOM 553 N GLU A 114 3.722 -7.071 -12.334 1.00 0.00 N ATOM 554 CA GLU A 114 4.352 -7.983 -11.371 1.00 0.00 C ATOM 555 C GLU A 114 3.286 -8.699 -10.544 1.00 0.00 C ATOM 556 O GLU A 114 2.557 -8.071 -9.776 1.00 0.00 O ATOM 557 CB GLU A 114 5.281 -7.194 -10.452 1.00 0.00 C ATOM 558 CG GLU A 114 6.090 -8.167 -9.602 1.00 0.00 C ATOM 559 CD GLU A 114 7.123 -7.406 -8.777 1.00 0.00 C ATOM 560 OE1 GLU A 114 7.035 -6.191 -8.719 1.00 0.00 O ATOM 561 OE2 GLU A 114 7.995 -8.053 -8.217 1.00 0.00 O ATOM 0 H GLU A 114 3.104 -6.376 -11.915 1.00 0.00 H new ATOM 0 HA GLU A 114 4.930 -8.730 -11.915 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.949 -6.566 -11.042 1.00 0.00 H new ATOM 0 HB3 GLU A 114 4.701 -6.529 -9.812 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.426 -8.725 -8.942 1.00 0.00 H new ATOM 0 HG3 GLU A 114 6.589 -8.894 -10.243 1.00 0.00 H new ATOM 568 N LYS A 115 3.197 -10.018 -10.719 1.00 0.00 N ATOM 569 CA LYS A 115 2.205 -10.826 -9.999 1.00 0.00 C ATOM 570 C LYS A 115 2.689 -11.203 -8.598 1.00 0.00 C ATOM 571 O LYS A 115 3.416 -12.181 -8.421 1.00 0.00 O ATOM 572 CB LYS A 115 1.898 -12.100 -10.794 1.00 0.00 C ATOM 573 CG LYS A 115 0.820 -12.919 -10.074 1.00 0.00 C ATOM 574 CD LYS A 115 0.467 -14.153 -10.908 1.00 0.00 C ATOM 575 CE LYS A 115 -0.587 -14.984 -10.170 1.00 0.00 C ATOM 576 NZ LYS A 115 -1.915 -14.325 -10.290 1.00 0.00 N ATOM 0 H LYS A 115 3.796 -10.550 -11.350 1.00 0.00 H new ATOM 0 HA LYS A 115 1.302 -10.225 -9.893 1.00 0.00 H new ATOM 0 HB2 LYS A 115 1.560 -11.840 -11.797 1.00 0.00 H new ATOM 0 HB3 LYS A 115 2.804 -12.695 -10.907 1.00 0.00 H new ATOM 0 HG2 LYS A 115 1.177 -13.223 -9.090 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -0.069 -12.309 -9.916 1.00 0.00 H new ATOM 0 HD2 LYS A 115 0.088 -13.849 -11.884 1.00 0.00 H new ATOM 0 HD3 LYS A 115 1.360 -14.753 -11.085 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -0.630 -15.990 -10.588 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -0.314 -15.086 -9.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -2.650 -14.954 -9.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -1.910 -13.433 -9.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -2.115 -14.127 -11.291 1.00 0.00 H new ATOM 590 N LEU A 116 2.273 -10.416 -7.608 1.00 0.00 N ATOM 591 CA LEU A 116 2.652 -10.656 -6.216 1.00 0.00 C ATOM 592 C LEU A 116 1.927 -11.881 -5.682 1.00 0.00 C ATOM 593 O LEU A 116 1.149 -12.509 -6.398 1.00 0.00 O ATOM 594 CB LEU A 116 2.298 -9.416 -5.359 1.00 0.00 C ATOM 595 CG LEU A 116 3.488 -8.434 -5.266 1.00 0.00 C ATOM 596 CD1 LEU A 116 4.500 -8.924 -4.222 1.00 0.00 C ATOM 597 CD2 LEU A 116 4.188 -8.279 -6.638 1.00 0.00 C ATOM 0 H LEU A 116 1.671 -9.604 -7.744 1.00 0.00 H new ATOM 0 HA LEU A 116 3.726 -10.833 -6.164 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.437 -8.906 -5.792 1.00 0.00 H new ATOM 0 HB3 LEU A 116 2.009 -9.735 -4.358 1.00 0.00 H new ATOM 0 HG LEU A 116 3.099 -7.462 -4.963 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.333 -8.224 -4.166 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.015 -8.989 -3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 116 4.872 -9.908 -4.509 1.00 0.00 H new ATOM 0 HD21 LEU A 116 5.021 -7.583 -6.545 1.00 0.00 H new ATOM 0 HD22 LEU A 116 4.560 -9.249 -6.968 1.00 0.00 H new ATOM 0 HD23 LEU A 116 3.476 -7.896 -7.369 1.00 0.00 H new ATOM 609 N THR A 117 2.193 -12.214 -4.417 1.00 0.00 N ATOM 610 CA THR A 117 1.559 -13.366 -3.778 1.00 0.00 C ATOM 611 C THR A 117 0.532 -12.895 -2.748 1.00 0.00 C ATOM 612 O THR A 117 0.841 -12.082 -1.874 1.00 0.00 O ATOM 613 CB THR A 117 2.612 -14.241 -3.092 1.00 0.00 C ATOM 614 OG1 THR A 117 3.441 -13.434 -2.271 1.00 0.00 O ATOM 615 CG2 THR A 117 3.471 -14.947 -4.145 1.00 0.00 C ATOM 0 H THR A 117 2.841 -11.703 -3.818 1.00 0.00 H new ATOM 0 HA THR A 117 1.055 -13.954 -4.545 1.00 0.00 H new ATOM 0 HB THR A 117 2.108 -14.989 -2.479 1.00 0.00 H new ATOM 0 HG1 THR A 117 4.281 -13.906 -2.090 1.00 0.00 H new ATOM 0 HG21 THR A 117 4.218 -15.567 -3.649 1.00 0.00 H new ATOM 0 HG22 THR A 117 2.836 -15.574 -4.772 1.00 0.00 H new ATOM 0 HG23 THR A 117 3.971 -14.203 -4.765 1.00 0.00 H new ATOM 623 N ASP A 118 -0.691 -13.403 -2.867 1.00 0.00 N ATOM 624 CA ASP A 118 -1.768 -13.022 -1.954 1.00 0.00 C ATOM 625 C ASP A 118 -1.354 -13.277 -0.508 1.00 0.00 C ATOM 626 O ASP A 118 -1.688 -12.502 0.390 1.00 0.00 O ATOM 627 CB ASP A 118 -3.028 -13.833 -2.267 1.00 0.00 C ATOM 628 CG ASP A 118 -4.253 -13.184 -1.624 1.00 0.00 C ATOM 629 OD1 ASP A 118 -4.075 -12.429 -0.684 1.00 0.00 O ATOM 630 OD2 ASP A 118 -5.348 -13.450 -2.086 1.00 0.00 O ATOM 0 H ASP A 118 -0.962 -14.077 -3.583 1.00 0.00 H new ATOM 0 HA ASP A 118 -1.973 -11.960 -2.086 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -3.167 -13.898 -3.346 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -2.913 -14.852 -1.898 1.00 0.00 H new ATOM 635 N GLU A 119 -0.633 -14.370 -0.290 1.00 0.00 N ATOM 636 CA GLU A 119 -0.189 -14.724 1.053 1.00 0.00 C ATOM 637 C GLU A 119 0.784 -13.666 1.589 1.00 0.00 C ATOM 638 O GLU A 119 0.731 -13.303 2.766 1.00 0.00 O ATOM 639 CB GLU A 119 0.494 -16.096 1.029 1.00 0.00 C ATOM 640 CG GLU A 119 -0.459 -17.122 0.401 1.00 0.00 C ATOM 641 CD GLU A 119 0.156 -18.524 0.441 1.00 0.00 C ATOM 642 OE1 GLU A 119 1.196 -18.679 1.061 1.00 0.00 O ATOM 643 OE2 GLU A 119 -0.427 -19.422 -0.148 1.00 0.00 O ATOM 0 H GLU A 119 -0.345 -15.022 -1.019 1.00 0.00 H new ATOM 0 HA GLU A 119 -1.057 -14.766 1.711 1.00 0.00 H new ATOM 0 HB2 GLU A 119 1.421 -16.045 0.457 1.00 0.00 H new ATOM 0 HB3 GLU A 119 0.760 -16.401 2.041 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -1.408 -17.120 0.937 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.674 -16.843 -0.630 1.00 0.00 H new ATOM 650 N GLU A 120 1.644 -13.146 0.714 1.00 0.00 N ATOM 651 CA GLU A 120 2.587 -12.107 1.119 1.00 0.00 C ATOM 652 C GLU A 120 1.857 -10.779 1.263 1.00 0.00 C ATOM 653 O GLU A 120 1.976 -10.103 2.282 1.00 0.00 O ATOM 654 CB GLU A 120 3.706 -11.970 0.083 1.00 0.00 C ATOM 655 CG GLU A 120 4.766 -10.988 0.590 1.00 0.00 C ATOM 656 CD GLU A 120 5.901 -10.877 -0.424 1.00 0.00 C ATOM 657 OE1 GLU A 120 5.722 -11.337 -1.540 1.00 0.00 O ATOM 658 OE2 GLU A 120 6.932 -10.328 -0.071 1.00 0.00 O ATOM 0 H GLU A 120 1.707 -13.423 -0.266 1.00 0.00 H new ATOM 0 HA GLU A 120 3.027 -12.386 2.077 1.00 0.00 H new ATOM 0 HB2 GLU A 120 4.160 -12.943 -0.106 1.00 0.00 H new ATOM 0 HB3 GLU A 120 3.296 -11.620 -0.864 1.00 0.00 H new ATOM 0 HG2 GLU A 120 4.317 -10.008 0.755 1.00 0.00 H new ATOM 0 HG3 GLU A 120 5.157 -11.325 1.550 1.00 0.00 H new ATOM 665 N VAL A 121 1.074 -10.428 0.245 1.00 0.00 N ATOM 666 CA VAL A 121 0.302 -9.189 0.278 1.00 0.00 C ATOM 667 C VAL A 121 -0.564 -9.165 1.538 1.00 0.00 C ATOM 668 O VAL A 121 -0.374 -8.336 2.424 1.00 0.00 O ATOM 669 CB VAL A 121 -0.590 -9.103 -0.978 1.00 0.00 C ATOM 670 CG1 VAL A 121 -1.731 -8.099 -0.769 1.00 0.00 C ATOM 671 CG2 VAL A 121 0.248 -8.657 -2.180 1.00 0.00 C ATOM 0 H VAL A 121 0.958 -10.979 -0.606 1.00 0.00 H new ATOM 0 HA VAL A 121 0.979 -8.335 0.292 1.00 0.00 H new ATOM 0 HB VAL A 121 -1.013 -10.090 -1.162 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -2.346 -8.055 -1.668 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -2.344 -8.415 0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -1.315 -7.112 -0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -0.387 -8.598 -3.064 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.681 -7.677 -1.978 1.00 0.00 H new ATOM 0 HG23 VAL A 121 1.047 -9.378 -2.354 1.00 0.00 H new ATOM 681 N ASP A 122 -1.511 -10.092 1.604 1.00 0.00 N ATOM 682 CA ASP A 122 -2.405 -10.184 2.749 1.00 0.00 C ATOM 683 C ASP A 122 -1.609 -10.071 4.046 1.00 0.00 C ATOM 684 O ASP A 122 -2.002 -9.342 4.957 1.00 0.00 O ATOM 685 CB ASP A 122 -3.143 -11.521 2.691 1.00 0.00 C ATOM 686 CG ASP A 122 -4.136 -11.643 3.840 1.00 0.00 C ATOM 687 OD1 ASP A 122 -4.864 -10.695 4.071 1.00 0.00 O ATOM 688 OD2 ASP A 122 -4.156 -12.689 4.469 1.00 0.00 O ATOM 0 H ASP A 122 -1.679 -10.789 0.879 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.127 -9.368 2.721 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -3.668 -11.610 1.740 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -2.425 -12.340 2.737 1.00 0.00 H new ATOM 693 N GLU A 123 -0.477 -10.770 4.118 1.00 0.00 N ATOM 694 CA GLU A 123 0.367 -10.707 5.305 1.00 0.00 C ATOM 695 C GLU A 123 1.094 -9.353 5.395 1.00 0.00 C ATOM 696 O GLU A 123 1.352 -8.851 6.490 1.00 0.00 O ATOM 697 CB GLU A 123 1.389 -11.849 5.287 1.00 0.00 C ATOM 698 CG GLU A 123 0.688 -13.178 5.585 1.00 0.00 C ATOM 699 CD GLU A 123 0.221 -13.214 7.039 1.00 0.00 C ATOM 700 OE1 GLU A 123 0.768 -12.471 7.838 1.00 0.00 O ATOM 701 OE2 GLU A 123 -0.680 -13.982 7.332 1.00 0.00 O ATOM 0 H GLU A 123 -0.128 -11.379 3.377 1.00 0.00 H new ATOM 0 HA GLU A 123 -0.273 -10.811 6.181 1.00 0.00 H new ATOM 0 HB2 GLU A 123 1.879 -11.896 4.314 1.00 0.00 H new ATOM 0 HB3 GLU A 123 2.168 -11.664 6.027 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -0.165 -13.305 4.918 1.00 0.00 H new ATOM 0 HG3 GLU A 123 1.369 -14.007 5.393 1.00 0.00 H new ATOM 708 N MET A 124 1.429 -8.778 4.239 1.00 0.00 N ATOM 709 CA MET A 124 2.138 -7.500 4.189 1.00 0.00 C ATOM 710 C MET A 124 1.434 -6.444 5.028 1.00 0.00 C ATOM 711 O MET A 124 1.952 -6.000 6.056 1.00 0.00 O ATOM 712 CB MET A 124 2.208 -7.016 2.737 1.00 0.00 C ATOM 713 CG MET A 124 3.204 -5.864 2.608 1.00 0.00 C ATOM 714 SD MET A 124 3.283 -5.335 0.877 1.00 0.00 S ATOM 715 CE MET A 124 4.926 -4.580 0.939 1.00 0.00 C ATOM 0 H MET A 124 1.220 -9.178 3.324 1.00 0.00 H new ATOM 0 HA MET A 124 3.140 -7.651 4.591 1.00 0.00 H new ATOM 0 HB2 MET A 124 2.507 -7.838 2.087 1.00 0.00 H new ATOM 0 HB3 MET A 124 1.221 -6.691 2.407 1.00 0.00 H new ATOM 0 HG2 MET A 124 2.899 -5.031 3.242 1.00 0.00 H new ATOM 0 HG3 MET A 124 4.190 -6.180 2.949 1.00 0.00 H new ATOM 0 HE1 MET A 124 5.180 -4.181 -0.043 1.00 0.00 H new ATOM 0 HE2 MET A 124 4.928 -3.772 1.670 1.00 0.00 H new ATOM 0 HE3 MET A 124 5.661 -5.331 1.227 1.00 0.00 H new ATOM 725 N ILE A 125 0.251 -6.044 4.592 1.00 0.00 N ATOM 726 CA ILE A 125 -0.511 -5.025 5.310 1.00 0.00 C ATOM 727 C ILE A 125 -0.747 -5.468 6.757 1.00 0.00 C ATOM 728 O ILE A 125 -0.589 -4.677 7.682 1.00 0.00 O ATOM 729 CB ILE A 125 -1.875 -4.797 4.615 1.00 0.00 C ATOM 730 CG1 ILE A 125 -1.679 -3.913 3.369 1.00 0.00 C ATOM 731 CG2 ILE A 125 -2.868 -4.122 5.586 1.00 0.00 C ATOM 732 CD1 ILE A 125 -3.011 -3.774 2.610 1.00 0.00 C ATOM 0 H ILE A 125 -0.203 -6.403 3.752 1.00 0.00 H new ATOM 0 HA ILE A 125 0.058 -4.095 5.305 1.00 0.00 H new ATOM 0 HB ILE A 125 -2.283 -5.762 4.315 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -1.314 -2.929 3.664 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -0.923 -4.351 2.717 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -3.822 -3.969 5.082 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -3.016 -4.760 6.457 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -2.468 -3.160 5.905 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -2.865 -3.148 1.730 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -3.358 -4.760 2.300 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -3.755 -3.316 3.262 1.00 0.00 H new ATOM 744 N ARG A 126 -1.141 -6.715 6.937 1.00 0.00 N ATOM 745 CA ARG A 126 -1.423 -7.230 8.267 1.00 0.00 C ATOM 746 C ARG A 126 -0.361 -6.806 9.279 1.00 0.00 C ATOM 747 O ARG A 126 -0.683 -6.528 10.432 1.00 0.00 O ATOM 748 CB ARG A 126 -1.505 -8.759 8.201 1.00 0.00 C ATOM 749 CG ARG A 126 -2.844 -9.189 7.557 1.00 0.00 C ATOM 750 CD ARG A 126 -3.932 -9.281 8.632 1.00 0.00 C ATOM 751 NE ARG A 126 -3.566 -10.273 9.634 1.00 0.00 N ATOM 752 CZ ARG A 126 -3.810 -11.566 9.437 1.00 0.00 C ATOM 753 NH1 ARG A 126 -4.382 -11.954 8.325 1.00 0.00 N ATOM 754 NH2 ARG A 126 -3.481 -12.443 10.346 1.00 0.00 N ATOM 0 H ARG A 126 -1.273 -7.389 6.183 1.00 0.00 H new ATOM 0 HA ARG A 126 -2.373 -6.814 8.602 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -0.670 -9.152 7.621 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -1.422 -9.180 9.203 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -3.137 -8.471 6.791 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -2.727 -10.153 7.062 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -4.069 -8.309 9.105 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -4.884 -9.550 8.174 1.00 0.00 H new ATOM 0 HE ARG A 126 -3.116 -9.972 10.499 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -4.638 -11.267 7.616 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -4.572 -12.944 8.168 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -3.035 -12.138 11.211 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -3.670 -13.433 10.191 1.00 0.00 H new ATOM 768 N GLU A 127 0.897 -6.765 8.860 1.00 0.00 N ATOM 769 CA GLU A 127 1.967 -6.374 9.771 1.00 0.00 C ATOM 770 C GLU A 127 1.969 -4.861 9.991 1.00 0.00 C ATOM 771 O GLU A 127 1.907 -4.392 11.126 1.00 0.00 O ATOM 772 CB GLU A 127 3.320 -6.838 9.222 1.00 0.00 C ATOM 773 CG GLU A 127 3.374 -8.370 9.220 1.00 0.00 C ATOM 774 CD GLU A 127 4.682 -8.851 8.597 1.00 0.00 C ATOM 775 OE1 GLU A 127 5.491 -8.007 8.244 1.00 0.00 O ATOM 776 OE2 GLU A 127 4.856 -10.051 8.477 1.00 0.00 O ATOM 0 H GLU A 127 1.199 -6.993 7.913 1.00 0.00 H new ATOM 0 HA GLU A 127 1.794 -6.855 10.734 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.464 -6.457 8.211 1.00 0.00 H new ATOM 0 HB3 GLU A 127 4.129 -6.436 9.832 1.00 0.00 H new ATOM 0 HG2 GLU A 127 3.289 -8.745 10.240 1.00 0.00 H new ATOM 0 HG3 GLU A 127 2.528 -8.770 8.661 1.00 0.00 H new ATOM 783 N ALA A 128 2.039 -4.104 8.901 1.00 0.00 N ATOM 784 CA ALA A 128 2.052 -2.646 8.993 1.00 0.00 C ATOM 785 C ALA A 128 0.802 -2.133 9.697 1.00 0.00 C ATOM 786 O ALA A 128 0.890 -1.320 10.617 1.00 0.00 O ATOM 787 CB ALA A 128 2.154 -2.035 7.576 1.00 0.00 C ATOM 0 H ALA A 128 2.087 -4.471 7.950 1.00 0.00 H new ATOM 0 HA ALA A 128 2.919 -2.344 9.580 1.00 0.00 H new ATOM 0 HB1 ALA A 128 2.163 -0.947 7.649 1.00 0.00 H new ATOM 0 HB2 ALA A 128 3.073 -2.375 7.099 1.00 0.00 H new ATOM 0 HB3 ALA A 128 1.297 -2.352 6.981 1.00 0.00 H new ATOM 793 N ASP A 129 -0.356 -2.601 9.242 1.00 0.00 N ATOM 794 CA ASP A 129 -1.630 -2.176 9.815 1.00 0.00 C ATOM 795 C ASP A 129 -1.508 -2.049 11.328 1.00 0.00 C ATOM 796 O ASP A 129 -1.153 -3.005 12.010 1.00 0.00 O ATOM 797 CB ASP A 129 -2.716 -3.198 9.453 1.00 0.00 C ATOM 798 CG ASP A 129 -4.088 -2.539 9.375 1.00 0.00 C ATOM 799 OD1 ASP A 129 -4.664 -2.300 10.412 1.00 0.00 O ATOM 800 OD2 ASP A 129 -4.543 -2.289 8.272 1.00 0.00 O ATOM 0 H ASP A 129 -0.439 -3.273 8.480 1.00 0.00 H new ATOM 0 HA ASP A 129 -1.903 -1.202 9.408 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -2.478 -3.662 8.496 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -2.733 -3.994 10.198 1.00 0.00 H new ATOM 805 N ILE A 130 -1.789 -0.856 11.840 1.00 0.00 N ATOM 806 CA ILE A 130 -1.693 -0.603 13.283 1.00 0.00 C ATOM 807 C ILE A 130 -3.081 -0.561 13.922 1.00 0.00 C ATOM 808 O ILE A 130 -3.241 -0.834 15.112 1.00 0.00 O ATOM 809 CB ILE A 130 -0.974 0.726 13.533 1.00 0.00 C ATOM 810 CG1 ILE A 130 0.331 0.757 12.727 1.00 0.00 C ATOM 811 CG2 ILE A 130 -0.642 0.851 15.027 1.00 0.00 C ATOM 812 CD1 ILE A 130 1.113 2.038 13.049 1.00 0.00 C ATOM 0 H ILE A 130 -2.083 -0.051 11.287 1.00 0.00 H new ATOM 0 HA ILE A 130 -1.126 -1.417 13.735 1.00 0.00 H new ATOM 0 HB ILE A 130 -1.617 1.551 13.227 1.00 0.00 H new ATOM 0 HG12 ILE A 130 0.936 -0.118 12.964 1.00 0.00 H new ATOM 0 HG13 ILE A 130 0.111 0.713 11.660 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -0.130 1.796 15.208 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -1.564 0.820 15.608 1.00 0.00 H new ATOM 0 HG23 ILE A 130 0.004 0.025 15.327 1.00 0.00 H new ATOM 0 HD11 ILE A 130 2.038 2.054 12.473 1.00 0.00 H new ATOM 0 HD12 ILE A 130 0.509 2.908 12.789 1.00 0.00 H new ATOM 0 HD13 ILE A 130 1.347 2.064 14.113 1.00 0.00 H new ATOM 824 N ASP A 131 -4.079 -0.215 13.120 1.00 0.00 N ATOM 825 CA ASP A 131 -5.462 -0.128 13.606 1.00 0.00 C ATOM 826 C ASP A 131 -6.175 -1.474 13.462 1.00 0.00 C ATOM 827 O ASP A 131 -7.120 -1.773 14.195 1.00 0.00 O ATOM 828 CB ASP A 131 -6.215 0.944 12.812 1.00 0.00 C ATOM 829 CG ASP A 131 -7.575 1.223 13.446 1.00 0.00 C ATOM 830 OD1 ASP A 131 -7.977 0.459 14.307 1.00 0.00 O ATOM 831 OD2 ASP A 131 -8.194 2.201 13.062 1.00 0.00 O ATOM 0 H ASP A 131 -3.964 0.011 12.132 1.00 0.00 H new ATOM 0 HA ASP A 131 -5.444 0.140 14.662 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -5.627 1.861 12.780 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -6.348 0.615 11.781 1.00 0.00 H new ATOM 836 N GLY A 132 -5.717 -2.272 12.509 1.00 0.00 N ATOM 837 CA GLY A 132 -6.310 -3.588 12.253 1.00 0.00 C ATOM 838 C GLY A 132 -7.610 -3.452 11.462 1.00 0.00 C ATOM 839 O GLY A 132 -8.492 -4.310 11.537 1.00 0.00 O ATOM 0 H GLY A 132 -4.936 -2.036 11.897 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -5.605 -4.208 11.699 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -6.505 -4.094 13.198 1.00 0.00 H new ATOM 843 N ASP A 133 -7.723 -2.360 10.711 1.00 0.00 N ATOM 844 CA ASP A 133 -8.917 -2.089 9.912 1.00 0.00 C ATOM 845 C ASP A 133 -8.726 -2.533 8.461 1.00 0.00 C ATOM 846 O ASP A 133 -9.270 -1.925 7.539 1.00 0.00 O ATOM 847 CB ASP A 133 -9.216 -0.590 9.956 1.00 0.00 C ATOM 848 CG ASP A 133 -8.010 0.197 9.457 1.00 0.00 C ATOM 849 OD1 ASP A 133 -6.971 -0.410 9.254 1.00 0.00 O ATOM 850 OD2 ASP A 133 -8.142 1.397 9.288 1.00 0.00 O ATOM 0 H ASP A 133 -6.999 -1.645 10.638 1.00 0.00 H new ATOM 0 HA ASP A 133 -9.751 -2.653 10.330 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -10.087 -0.366 9.340 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -9.461 -0.289 10.975 1.00 0.00 H new ATOM 855 N GLY A 134 -7.951 -3.597 8.272 1.00 0.00 N ATOM 856 CA GLY A 134 -7.696 -4.126 6.935 1.00 0.00 C ATOM 857 C GLY A 134 -7.217 -3.039 5.982 1.00 0.00 C ATOM 858 O GLY A 134 -7.209 -3.228 4.766 1.00 0.00 O ATOM 0 H GLY A 134 -7.490 -4.109 9.024 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -6.947 -4.916 6.993 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -8.607 -4.579 6.543 1.00 0.00 H new ATOM 862 N GLN A 135 -6.804 -1.903 6.534 1.00 0.00 N ATOM 863 CA GLN A 135 -6.316 -0.803 5.712 1.00 0.00 C ATOM 864 C GLN A 135 -5.244 -0.019 6.453 1.00 0.00 C ATOM 865 O GLN A 135 -5.199 -0.015 7.682 1.00 0.00 O ATOM 866 CB GLN A 135 -7.472 0.127 5.309 1.00 0.00 C ATOM 867 CG GLN A 135 -8.334 -0.566 4.240 1.00 0.00 C ATOM 868 CD GLN A 135 -9.396 0.387 3.691 1.00 0.00 C ATOM 869 OE1 GLN A 135 -9.300 0.824 2.541 1.00 0.00 O ATOM 870 NE2 GLN A 135 -10.420 0.719 4.434 1.00 0.00 N ATOM 0 H GLN A 135 -6.797 -1.721 7.538 1.00 0.00 H new ATOM 0 HA GLN A 135 -5.878 -1.223 4.806 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -8.079 0.370 6.181 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -7.079 1.067 4.922 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -7.699 -0.916 3.426 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -8.816 -1.445 4.669 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -10.499 0.358 5.385 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -11.140 1.339 4.063 1.00 0.00 H new ATOM 879 N VAL A 136 -4.381 0.656 5.692 1.00 0.00 N ATOM 880 CA VAL A 136 -3.313 1.453 6.292 1.00 0.00 C ATOM 881 C VAL A 136 -3.153 2.779 5.549 1.00 0.00 C ATOM 882 O VAL A 136 -3.373 2.863 4.336 1.00 0.00 O ATOM 883 CB VAL A 136 -1.993 0.666 6.257 1.00 0.00 C ATOM 884 CG1 VAL A 136 -2.270 -0.813 6.463 1.00 0.00 C ATOM 885 CG2 VAL A 136 -1.285 0.859 4.914 1.00 0.00 C ATOM 0 H VAL A 136 -4.400 0.667 4.672 1.00 0.00 H new ATOM 0 HA VAL A 136 -3.575 1.667 7.328 1.00 0.00 H new ATOM 0 HB VAL A 136 -1.351 1.039 7.055 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -1.331 -1.366 6.437 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -2.752 -0.962 7.429 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -2.926 -1.174 5.671 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -0.353 0.294 4.910 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -1.929 0.504 4.109 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -1.069 1.917 4.766 1.00 0.00 H new ATOM 895 N ASN A 137 -2.767 3.809 6.289 1.00 0.00 N ATOM 896 CA ASN A 137 -2.573 5.127 5.702 1.00 0.00 C ATOM 897 C ASN A 137 -1.317 5.137 4.831 1.00 0.00 C ATOM 898 O ASN A 137 -0.925 4.107 4.285 1.00 0.00 O ATOM 899 CB ASN A 137 -2.458 6.183 6.802 1.00 0.00 C ATOM 900 CG ASN A 137 -3.753 6.233 7.601 1.00 0.00 C ATOM 901 OD1 ASN A 137 -4.838 6.096 7.036 1.00 0.00 O ATOM 902 ND2 ASN A 137 -3.699 6.420 8.891 1.00 0.00 N ATOM 0 H ASN A 137 -2.583 3.758 7.291 1.00 0.00 H new ATOM 0 HA ASN A 137 -3.435 5.362 5.078 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -1.622 5.947 7.460 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -2.252 7.159 6.363 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -4.559 6.453 9.438 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -2.796 6.533 9.353 1.00 0.00 H new ATOM 909 N TYR A 138 -0.704 6.309 4.680 1.00 0.00 N ATOM 910 CA TYR A 138 0.495 6.443 3.859 1.00 0.00 C ATOM 911 C TYR A 138 1.751 5.955 4.585 1.00 0.00 C ATOM 912 O TYR A 138 2.474 5.105 4.069 1.00 0.00 O ATOM 913 CB TYR A 138 0.664 7.910 3.456 1.00 0.00 C ATOM 914 CG TYR A 138 -0.604 8.401 2.785 1.00 0.00 C ATOM 915 CD1 TYR A 138 -0.981 7.880 1.543 1.00 0.00 C ATOM 916 CD2 TYR A 138 -1.399 9.380 3.401 1.00 0.00 C ATOM 917 CE1 TYR A 138 -2.153 8.333 0.917 1.00 0.00 C ATOM 918 CE2 TYR A 138 -2.570 9.831 2.776 1.00 0.00 C ATOM 919 CZ TYR A 138 -2.947 9.308 1.533 1.00 0.00 C ATOM 920 OH TYR A 138 -4.099 9.756 0.916 1.00 0.00 O ATOM 0 H TYR A 138 -1.018 7.177 5.115 1.00 0.00 H new ATOM 0 HA TYR A 138 0.370 5.817 2.975 1.00 0.00 H new ATOM 0 HB2 TYR A 138 0.881 8.517 4.335 1.00 0.00 H new ATOM 0 HB3 TYR A 138 1.511 8.016 2.778 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -0.370 7.129 1.065 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -1.108 9.787 4.358 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -2.443 7.929 -0.042 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -3.182 10.582 3.253 1.00 0.00 H new ATOM 0 HH TYR A 138 -4.531 10.431 1.480 1.00 0.00 H new ATOM 930 N GLU A 139 2.011 6.489 5.781 1.00 0.00 N ATOM 931 CA GLU A 139 3.197 6.093 6.548 1.00 0.00 C ATOM 932 C GLU A 139 3.182 4.608 6.845 1.00 0.00 C ATOM 933 O GLU A 139 4.033 3.871 6.334 1.00 0.00 O ATOM 934 CB GLU A 139 3.271 6.899 7.844 1.00 0.00 C ATOM 935 CG GLU A 139 3.591 8.353 7.490 1.00 0.00 C ATOM 936 CD GLU A 139 3.649 9.194 8.758 1.00 0.00 C ATOM 937 OE1 GLU A 139 3.454 8.636 9.825 1.00 0.00 O ATOM 938 OE2 GLU A 139 3.890 10.386 8.646 1.00 0.00 O ATOM 0 H GLU A 139 1.425 7.189 6.236 1.00 0.00 H new ATOM 0 HA GLU A 139 4.083 6.304 5.948 1.00 0.00 H new ATOM 0 HB2 GLU A 139 2.325 6.839 8.383 1.00 0.00 H new ATOM 0 HB3 GLU A 139 4.039 6.491 8.501 1.00 0.00 H new ATOM 0 HG2 GLU A 139 4.544 8.407 6.963 1.00 0.00 H new ATOM 0 HG3 GLU A 139 2.831 8.748 6.816 1.00 0.00 H new ATOM 945 N GLU A 140 2.218 4.187 7.687 1.00 0.00 N ATOM 946 CA GLU A 140 2.070 2.767 8.075 1.00 0.00 C ATOM 947 C GLU A 140 2.530 1.881 6.916 1.00 0.00 C ATOM 948 O GLU A 140 3.076 0.798 7.115 1.00 0.00 O ATOM 949 CB GLU A 140 0.602 2.459 8.378 1.00 0.00 C ATOM 950 CG GLU A 140 0.164 3.142 9.676 1.00 0.00 C ATOM 951 CD GLU A 140 -1.334 2.945 9.888 1.00 0.00 C ATOM 952 OE1 GLU A 140 -1.927 2.192 9.135 1.00 0.00 O ATOM 953 OE2 GLU A 140 -1.865 3.551 10.799 1.00 0.00 O ATOM 0 H GLU A 140 1.530 4.808 8.112 1.00 0.00 H new ATOM 0 HA GLU A 140 2.673 2.573 8.962 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -0.024 2.799 7.553 1.00 0.00 H new ATOM 0 HB3 GLU A 140 0.461 1.381 8.462 1.00 0.00 H new ATOM 0 HG2 GLU A 140 0.717 2.728 10.519 1.00 0.00 H new ATOM 0 HG3 GLU A 140 0.397 4.206 9.634 1.00 0.00 H new ATOM 960 N PHE A 141 2.329 2.394 5.692 1.00 0.00 N ATOM 961 CA PHE A 141 2.751 1.694 4.489 1.00 0.00 C ATOM 962 C PHE A 141 4.230 1.965 4.196 1.00 0.00 C ATOM 963 O PHE A 141 5.013 1.038 4.098 1.00 0.00 O ATOM 964 CB PHE A 141 1.914 2.161 3.292 1.00 0.00 C ATOM 965 CG PHE A 141 1.794 1.041 2.288 1.00 0.00 C ATOM 966 CD1 PHE A 141 2.932 0.558 1.631 1.00 0.00 C ATOM 967 CD2 PHE A 141 0.545 0.481 2.019 1.00 0.00 C ATOM 968 CE1 PHE A 141 2.813 -0.486 0.705 1.00 0.00 C ATOM 969 CE2 PHE A 141 0.427 -0.555 1.103 1.00 0.00 C ATOM 970 CZ PHE A 141 1.558 -1.045 0.442 1.00 0.00 C ATOM 0 H PHE A 141 1.876 3.291 5.519 1.00 0.00 H new ATOM 0 HA PHE A 141 2.607 0.626 4.650 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.924 2.470 3.627 1.00 0.00 H new ATOM 0 HB3 PHE A 141 2.379 3.030 2.828 1.00 0.00 H new ATOM 0 HD1 PHE A 141 3.900 0.990 1.838 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -0.333 0.855 2.525 1.00 0.00 H new ATOM 0 HE1 PHE A 141 3.689 -0.859 0.195 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -0.543 -0.985 0.900 1.00 0.00 H new ATOM 0 HZ PHE A 141 1.463 -1.852 -0.269 1.00 0.00 H new ATOM 980 N VAL A 142 4.592 3.245 4.028 1.00 0.00 N ATOM 981 CA VAL A 142 5.989 3.616 3.720 1.00 0.00 C ATOM 982 C VAL A 142 6.952 2.675 4.445 1.00 0.00 C ATOM 983 O VAL A 142 7.729 1.963 3.809 1.00 0.00 O ATOM 984 CB VAL A 142 6.238 5.051 4.165 1.00 0.00 C ATOM 985 CG1 VAL A 142 7.724 5.398 4.001 1.00 0.00 C ATOM 986 CG2 VAL A 142 5.381 6.005 3.306 1.00 0.00 C ATOM 0 H VAL A 142 3.950 4.034 4.098 1.00 0.00 H new ATOM 0 HA VAL A 142 6.156 3.532 2.646 1.00 0.00 H new ATOM 0 HB VAL A 142 5.964 5.159 5.214 1.00 0.00 H new ATOM 0 HG11 VAL A 142 7.895 6.426 4.321 1.00 0.00 H new ATOM 0 HG12 VAL A 142 8.325 4.723 4.611 1.00 0.00 H new ATOM 0 HG13 VAL A 142 8.009 5.292 2.954 1.00 0.00 H new ATOM 0 HG21 VAL A 142 5.556 7.034 3.621 1.00 0.00 H new ATOM 0 HG22 VAL A 142 5.655 5.895 2.257 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.326 5.761 3.433 1.00 0.00 H new ATOM 996 N GLN A 143 6.892 2.690 5.777 1.00 0.00 N ATOM 997 CA GLN A 143 7.754 1.830 6.597 1.00 0.00 C ATOM 998 C GLN A 143 7.856 0.417 6.000 1.00 0.00 C ATOM 999 O GLN A 143 8.725 -0.369 6.373 1.00 0.00 O ATOM 1000 CB GLN A 143 7.189 1.749 8.027 1.00 0.00 C ATOM 1001 CG GLN A 143 7.618 2.978 8.839 1.00 0.00 C ATOM 1002 CD GLN A 143 7.346 4.258 8.053 1.00 0.00 C ATOM 1003 OE1 GLN A 143 7.969 4.495 7.019 1.00 0.00 O ATOM 1004 NE2 GLN A 143 6.448 5.104 8.488 1.00 0.00 N ATOM 0 H GLN A 143 6.259 3.285 6.312 1.00 0.00 H new ATOM 0 HA GLN A 143 8.753 2.264 6.617 1.00 0.00 H new ATOM 0 HB2 GLN A 143 6.101 1.689 7.993 1.00 0.00 H new ATOM 0 HB3 GLN A 143 7.543 0.841 8.514 1.00 0.00 H new ATOM 0 HG2 GLN A 143 7.077 3.003 9.785 1.00 0.00 H new ATOM 0 HG3 GLN A 143 8.679 2.910 9.080 1.00 0.00 H new ATOM 0 HE21 GLN A 143 5.933 4.905 9.346 1.00 0.00 H new ATOM 0 HE22 GLN A 143 6.263 5.963 7.970 1.00 0.00 H new ATOM 1013 N MET A 144 6.955 0.109 5.068 1.00 0.00 N ATOM 1014 CA MET A 144 6.929 -1.196 4.405 1.00 0.00 C ATOM 1015 C MET A 144 7.646 -1.126 3.070 1.00 0.00 C ATOM 1016 O MET A 144 8.471 -1.983 2.788 1.00 0.00 O ATOM 1017 CB MET A 144 5.493 -1.657 4.187 1.00 0.00 C ATOM 1018 CG MET A 144 4.735 -1.552 5.507 1.00 0.00 C ATOM 1019 SD MET A 144 5.538 -2.580 6.766 1.00 0.00 S ATOM 1020 CE MET A 144 4.762 -4.158 6.338 1.00 0.00 C ATOM 0 H MET A 144 6.228 0.751 4.752 1.00 0.00 H new ATOM 0 HA MET A 144 7.439 -1.913 5.049 1.00 0.00 H new ATOM 0 HB2 MET A 144 5.011 -1.043 3.426 1.00 0.00 H new ATOM 0 HB3 MET A 144 5.478 -2.685 3.824 1.00 0.00 H new ATOM 0 HG2 MET A 144 4.706 -0.514 5.838 1.00 0.00 H new ATOM 0 HG3 MET A 144 3.702 -1.872 5.369 1.00 0.00 H new ATOM 0 HE1 MET A 144 4.037 -4.427 7.106 1.00 0.00 H new ATOM 0 HE2 MET A 144 4.255 -4.065 5.378 1.00 0.00 H new ATOM 0 HE3 MET A 144 5.526 -4.933 6.272 1.00 0.00 H new ATOM 1030 N MET A 145 7.306 -0.122 2.247 1.00 0.00 N ATOM 1031 CA MET A 145 7.925 0.034 0.916 1.00 0.00 C ATOM 1032 C MET A 145 9.456 -0.132 0.984 1.00 0.00 C ATOM 1033 O MET A 145 9.972 -1.130 1.469 1.00 0.00 O ATOM 1034 CB MET A 145 7.593 1.422 0.349 1.00 0.00 C ATOM 1035 CG MET A 145 7.848 1.452 -1.166 1.00 0.00 C ATOM 1036 SD MET A 145 8.112 3.161 -1.699 1.00 0.00 S ATOM 1037 CE MET A 145 6.486 3.793 -1.223 1.00 0.00 C ATOM 0 H MET A 145 6.612 0.590 2.474 1.00 0.00 H new ATOM 0 HA MET A 145 7.522 -0.743 0.267 1.00 0.00 H new ATOM 0 HB2 MET A 145 6.551 1.667 0.555 1.00 0.00 H new ATOM 0 HB3 MET A 145 8.202 2.180 0.843 1.00 0.00 H new ATOM 0 HG2 MET A 145 8.719 0.845 -1.411 1.00 0.00 H new ATOM 0 HG3 MET A 145 6.999 1.021 -1.697 1.00 0.00 H new ATOM 0 HE1 MET A 145 6.297 4.736 -1.737 1.00 0.00 H new ATOM 0 HE2 MET A 145 5.719 3.069 -1.499 1.00 0.00 H new ATOM 0 HE3 MET A 145 6.460 3.955 -0.145 1.00 0.00 H new