USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=12 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 101 SER OG : rot -134:sc= 0.438 USER MOD Set 1.2: A 135 GLN : amide:sc= -1.29 K(o=-0.85,f=-4.8!) USER MOD Single : A 94 LYS NZ :NH3+ 164:sc= -0.212 (180deg=-0.816) USER MOD Single : A 97 ASN : amide:sc= -2.13! C(o=-2.1!,f=-5.8!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 HIS :FLIP no HE2:sc= -0.85 F(o=-1.7,f=-0.85) USER MOD Single : A 109 MET CE :methyl -159:sc= -0.301 (180deg=-0.783) USER MOD Single : A 110 THR OG1 : rot 85:sc= 0.808 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 163:sc= -0.0215 (180deg=-0.295) USER MOD Single : A 117 THR OG1 : rot -168:sc= -2.4 USER MOD Single : A 124 MET CE :methyl 175:sc= -0.0291 (180deg=-0.0349) USER MOD Single : A 137 ASN : amide:sc= -2.56! C(o=-2.6!,f=-3.9!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 144 MET CE :methyl 149:sc= -0.0419 (180deg=-0.417) USER MOD Single : A 145 MET CE :methyl 163:sc= -0.0164 (180deg=-0.542) USER MOD ----------------------------------------------------------------- ATOM 52 N GLU A 82 7.933 13.915 -0.452 1.00 0.00 N ATOM 53 CA GLU A 82 6.769 13.477 0.312 1.00 0.00 C ATOM 54 C GLU A 82 5.531 13.411 -0.586 1.00 0.00 C ATOM 55 O GLU A 82 4.600 12.650 -0.325 1.00 0.00 O ATOM 56 CB GLU A 82 6.522 14.474 1.454 1.00 0.00 C ATOM 57 CG GLU A 82 5.317 14.032 2.294 1.00 0.00 C ATOM 58 CD GLU A 82 5.108 14.990 3.464 1.00 0.00 C ATOM 59 OE1 GLU A 82 6.005 15.774 3.735 1.00 0.00 O ATOM 60 OE2 GLU A 82 4.051 14.929 4.068 1.00 0.00 O ATOM 0 HA GLU A 82 6.958 12.482 0.715 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.408 14.542 2.085 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.344 15.469 1.046 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.422 14.005 1.673 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.476 13.020 2.667 1.00 0.00 H new ATOM 67 N GLU A 83 5.533 14.233 -1.632 1.00 0.00 N ATOM 68 CA GLU A 83 4.404 14.296 -2.555 1.00 0.00 C ATOM 69 C GLU A 83 4.222 12.982 -3.319 1.00 0.00 C ATOM 70 O GLU A 83 3.122 12.437 -3.362 1.00 0.00 O ATOM 71 CB GLU A 83 4.598 15.456 -3.537 1.00 0.00 C ATOM 72 CG GLU A 83 3.306 15.685 -4.321 1.00 0.00 C ATOM 73 CD GLU A 83 3.483 16.819 -5.330 1.00 0.00 C ATOM 74 OE1 GLU A 83 4.614 17.208 -5.565 1.00 0.00 O ATOM 75 OE2 GLU A 83 2.480 17.280 -5.851 1.00 0.00 O ATOM 0 H GLU A 83 6.302 14.863 -1.861 1.00 0.00 H new ATOM 0 HA GLU A 83 3.501 14.463 -1.968 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.873 16.362 -2.996 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.416 15.233 -4.222 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.022 14.770 -4.841 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.495 15.926 -3.634 1.00 0.00 H new ATOM 82 N GLU A 84 5.290 12.454 -3.917 1.00 0.00 N ATOM 83 CA GLU A 84 5.169 11.194 -4.654 1.00 0.00 C ATOM 84 C GLU A 84 4.414 10.182 -3.798 1.00 0.00 C ATOM 85 O GLU A 84 3.418 9.611 -4.227 1.00 0.00 O ATOM 86 CB GLU A 84 6.556 10.631 -4.995 1.00 0.00 C ATOM 87 CG GLU A 84 6.412 9.435 -5.948 1.00 0.00 C ATOM 88 CD GLU A 84 5.990 9.911 -7.337 1.00 0.00 C ATOM 89 OE1 GLU A 84 5.957 11.114 -7.548 1.00 0.00 O ATOM 90 OE2 GLU A 84 5.706 9.063 -8.169 1.00 0.00 O ATOM 0 H GLU A 84 6.224 12.864 -3.908 1.00 0.00 H new ATOM 0 HA GLU A 84 4.628 11.381 -5.582 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.169 11.405 -5.458 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.067 10.322 -4.083 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.358 8.897 -6.012 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.673 8.736 -5.556 1.00 0.00 H new ATOM 97 N ILE A 85 4.878 9.998 -2.566 1.00 0.00 N ATOM 98 CA ILE A 85 4.231 9.068 -1.650 1.00 0.00 C ATOM 99 C ILE A 85 2.740 9.394 -1.570 1.00 0.00 C ATOM 100 O ILE A 85 1.892 8.518 -1.738 1.00 0.00 O ATOM 101 CB ILE A 85 4.844 9.220 -0.248 1.00 0.00 C ATOM 102 CG1 ILE A 85 6.360 9.018 -0.311 1.00 0.00 C ATOM 103 CG2 ILE A 85 4.253 8.175 0.702 1.00 0.00 C ATOM 104 CD1 ILE A 85 6.969 9.238 1.083 1.00 0.00 C ATOM 0 H ILE A 85 5.693 10.477 -2.182 1.00 0.00 H new ATOM 0 HA ILE A 85 4.373 8.049 -2.010 1.00 0.00 H new ATOM 0 HB ILE A 85 4.618 10.222 0.117 1.00 0.00 H new ATOM 0 HG12 ILE A 85 6.588 8.012 -0.664 1.00 0.00 H new ATOM 0 HG13 ILE A 85 6.800 9.714 -1.025 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.694 8.292 1.692 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.174 8.312 0.768 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.470 7.176 0.324 1.00 0.00 H new ATOM 0 HD11 ILE A 85 8.048 9.094 1.035 1.00 0.00 H new ATOM 0 HD12 ILE A 85 6.753 10.252 1.418 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.538 8.524 1.785 1.00 0.00 H new ATOM 116 N ARG A 86 2.432 10.663 -1.331 1.00 0.00 N ATOM 117 CA ARG A 86 1.045 11.103 -1.233 1.00 0.00 C ATOM 118 C ARG A 86 0.275 10.758 -2.517 1.00 0.00 C ATOM 119 O ARG A 86 -0.883 10.345 -2.460 1.00 0.00 O ATOM 120 CB ARG A 86 1.005 12.618 -0.976 1.00 0.00 C ATOM 121 CG ARG A 86 1.485 12.897 0.454 1.00 0.00 C ATOM 122 CD ARG A 86 1.546 14.407 0.716 1.00 0.00 C ATOM 123 NE ARG A 86 0.207 14.980 0.686 1.00 0.00 N ATOM 124 CZ ARG A 86 0.007 16.290 0.761 1.00 0.00 C ATOM 125 NH1 ARG A 86 1.022 17.108 0.786 1.00 0.00 N ATOM 126 NH2 ARG A 86 -1.212 16.757 0.798 1.00 0.00 N ATOM 0 H ARG A 86 3.121 11.404 -1.202 1.00 0.00 H new ATOM 0 HA ARG A 86 0.566 10.584 -0.402 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.639 13.138 -1.694 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.008 12.996 -1.113 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.811 12.425 1.169 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.470 12.456 0.606 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.008 14.596 1.685 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.172 14.888 -0.035 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.598 14.358 0.605 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.973 16.742 0.748 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.865 18.114 0.844 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.005 16.116 0.769 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.371 17.763 0.856 1.00 0.00 H new ATOM 140 N GLU A 87 0.930 10.910 -3.664 1.00 0.00 N ATOM 141 CA GLU A 87 0.301 10.607 -4.949 1.00 0.00 C ATOM 142 C GLU A 87 0.240 9.091 -5.201 1.00 0.00 C ATOM 143 O GLU A 87 -0.835 8.499 -5.238 1.00 0.00 O ATOM 144 CB GLU A 87 1.082 11.286 -6.078 1.00 0.00 C ATOM 145 CG GLU A 87 0.976 12.808 -5.935 1.00 0.00 C ATOM 146 CD GLU A 87 -0.458 13.265 -6.184 1.00 0.00 C ATOM 147 OE1 GLU A 87 -1.003 12.901 -7.212 1.00 0.00 O ATOM 148 OE2 GLU A 87 -0.989 13.973 -5.342 1.00 0.00 O ATOM 0 H GLU A 87 1.893 11.240 -3.732 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.720 10.987 -4.924 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.128 10.980 -6.046 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.688 10.973 -7.045 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.293 13.109 -4.936 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.648 13.294 -6.642 1.00 0.00 H new ATOM 155 N ALA A 88 1.408 8.480 -5.373 1.00 0.00 N ATOM 156 CA ALA A 88 1.503 7.043 -5.635 1.00 0.00 C ATOM 157 C ALA A 88 0.453 6.267 -4.838 1.00 0.00 C ATOM 158 O ALA A 88 -0.352 5.532 -5.411 1.00 0.00 O ATOM 159 CB ALA A 88 2.904 6.554 -5.262 1.00 0.00 C ATOM 0 H ALA A 88 2.308 8.958 -5.336 1.00 0.00 H new ATOM 0 HA ALA A 88 1.318 6.869 -6.695 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.979 5.484 -5.455 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.646 7.084 -5.860 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.087 6.745 -4.205 1.00 0.00 H new ATOM 165 N PHE A 89 0.459 6.434 -3.518 1.00 0.00 N ATOM 166 CA PHE A 89 -0.502 5.741 -2.662 1.00 0.00 C ATOM 167 C PHE A 89 -1.937 6.202 -2.955 1.00 0.00 C ATOM 168 O PHE A 89 -2.866 5.396 -2.964 1.00 0.00 O ATOM 169 CB PHE A 89 -0.150 5.970 -1.190 1.00 0.00 C ATOM 170 CG PHE A 89 0.944 5.008 -0.772 1.00 0.00 C ATOM 171 CD1 PHE A 89 0.652 3.644 -0.619 1.00 0.00 C ATOM 172 CD2 PHE A 89 2.241 5.472 -0.545 1.00 0.00 C ATOM 173 CE1 PHE A 89 1.659 2.752 -0.237 1.00 0.00 C ATOM 174 CE2 PHE A 89 3.246 4.579 -0.163 1.00 0.00 C ATOM 175 CZ PHE A 89 2.956 3.221 -0.010 1.00 0.00 C ATOM 0 H PHE A 89 1.113 7.038 -3.020 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.448 4.674 -2.876 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.180 6.998 -1.040 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.033 5.825 -0.568 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.350 3.283 -0.796 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.468 6.521 -0.665 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.435 1.702 -0.118 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.249 4.939 0.014 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.735 2.533 0.284 1.00 0.00 H new ATOM 185 N ARG A 90 -2.121 7.501 -3.199 1.00 0.00 N ATOM 186 CA ARG A 90 -3.460 8.012 -3.502 1.00 0.00 C ATOM 187 C ARG A 90 -4.025 7.284 -4.727 1.00 0.00 C ATOM 188 O ARG A 90 -5.171 6.837 -4.726 1.00 0.00 O ATOM 189 CB ARG A 90 -3.399 9.527 -3.762 1.00 0.00 C ATOM 190 CG ARG A 90 -3.711 10.291 -2.464 1.00 0.00 C ATOM 191 CD ARG A 90 -3.557 11.790 -2.692 1.00 0.00 C ATOM 192 NE ARG A 90 -3.850 12.530 -1.463 1.00 0.00 N ATOM 193 CZ ARG A 90 -4.014 13.850 -1.470 1.00 0.00 C ATOM 194 NH1 ARG A 90 -3.911 14.519 -2.581 1.00 0.00 N ATOM 195 NH2 ARG A 90 -4.257 14.481 -0.356 1.00 0.00 N ATOM 0 H ARG A 90 -1.381 8.203 -3.194 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.115 7.832 -2.650 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.410 9.803 -4.129 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.114 9.801 -4.537 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.726 10.067 -2.135 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.040 9.965 -1.670 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.542 12.011 -3.023 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.229 12.114 -3.487 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.930 12.022 -0.582 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.704 14.031 -3.453 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -4.038 15.531 -2.580 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.321 13.963 0.520 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.383 15.493 -0.360 1.00 0.00 H new ATOM 209 N VAL A 91 -3.202 7.160 -5.763 1.00 0.00 N ATOM 210 CA VAL A 91 -3.616 6.484 -6.987 1.00 0.00 C ATOM 211 C VAL A 91 -3.948 5.021 -6.692 1.00 0.00 C ATOM 212 O VAL A 91 -4.947 4.487 -7.172 1.00 0.00 O ATOM 213 CB VAL A 91 -2.491 6.567 -8.026 1.00 0.00 C ATOM 214 CG1 VAL A 91 -2.882 5.790 -9.284 1.00 0.00 C ATOM 215 CG2 VAL A 91 -2.248 8.034 -8.396 1.00 0.00 C ATOM 0 H VAL A 91 -2.247 7.518 -5.780 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.507 6.973 -7.382 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.584 6.135 -7.604 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.077 5.854 -10.016 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.056 4.745 -9.027 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.792 6.216 -9.707 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.449 8.095 -9.134 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.161 8.460 -8.813 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.962 8.592 -7.504 1.00 0.00 H new ATOM 225 N PHE A 92 -3.093 4.383 -5.899 1.00 0.00 N ATOM 226 CA PHE A 92 -3.283 2.977 -5.540 1.00 0.00 C ATOM 227 C PHE A 92 -4.714 2.731 -5.077 1.00 0.00 C ATOM 228 O PHE A 92 -5.405 1.886 -5.639 1.00 0.00 O ATOM 229 CB PHE A 92 -2.289 2.594 -4.426 1.00 0.00 C ATOM 230 CG PHE A 92 -1.003 2.096 -5.041 1.00 0.00 C ATOM 231 CD1 PHE A 92 -0.465 2.740 -6.167 1.00 0.00 C ATOM 232 CD2 PHE A 92 -0.355 0.987 -4.495 1.00 0.00 C ATOM 233 CE1 PHE A 92 0.718 2.271 -6.741 1.00 0.00 C ATOM 234 CE2 PHE A 92 0.830 0.517 -5.071 1.00 0.00 C ATOM 235 CZ PHE A 92 1.367 1.159 -6.194 1.00 0.00 C ATOM 0 H PHE A 92 -2.263 4.814 -5.492 1.00 0.00 H new ATOM 0 HA PHE A 92 -3.098 2.358 -6.418 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -2.089 3.457 -3.791 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.721 1.823 -3.789 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.967 3.598 -6.589 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.768 0.492 -3.629 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.132 2.766 -7.607 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.331 -0.342 -4.649 1.00 0.00 H new ATOM 0 HZ PHE A 92 2.282 0.796 -6.638 1.00 0.00 H new ATOM 245 N ASP A 93 -5.158 3.472 -4.068 1.00 0.00 N ATOM 246 CA ASP A 93 -6.522 3.313 -3.573 1.00 0.00 C ATOM 247 C ASP A 93 -7.505 3.367 -4.742 1.00 0.00 C ATOM 248 O ASP A 93 -8.012 4.433 -5.087 1.00 0.00 O ATOM 249 CB ASP A 93 -6.847 4.424 -2.567 1.00 0.00 C ATOM 250 CG ASP A 93 -8.126 4.091 -1.806 1.00 0.00 C ATOM 251 OD1 ASP A 93 -8.577 2.956 -1.905 1.00 0.00 O ATOM 252 OD2 ASP A 93 -8.634 4.975 -1.125 1.00 0.00 O ATOM 0 H ASP A 93 -4.605 4.178 -3.583 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.610 2.347 -3.075 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.020 4.544 -1.867 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.963 5.374 -3.089 1.00 0.00 H new ATOM 257 N LYS A 94 -7.756 2.212 -5.354 1.00 0.00 N ATOM 258 CA LYS A 94 -8.669 2.141 -6.496 1.00 0.00 C ATOM 259 C LYS A 94 -9.961 2.884 -6.183 1.00 0.00 C ATOM 260 O LYS A 94 -10.359 3.794 -6.909 1.00 0.00 O ATOM 261 CB LYS A 94 -8.974 0.652 -6.809 1.00 0.00 C ATOM 262 CG LYS A 94 -8.250 0.208 -8.083 1.00 0.00 C ATOM 263 CD LYS A 94 -6.735 0.194 -7.841 1.00 0.00 C ATOM 264 CE LYS A 94 -6.037 -0.475 -9.027 1.00 0.00 C ATOM 265 NZ LYS A 94 -6.780 -0.171 -10.280 1.00 0.00 N ATOM 0 H LYS A 94 -7.345 1.319 -5.083 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.203 2.609 -7.363 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.663 0.028 -5.971 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -10.049 0.513 -6.928 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.590 -0.785 -8.378 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.490 0.884 -8.903 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.366 1.212 -7.715 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.508 -0.344 -6.921 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.010 -0.119 -9.106 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.989 -1.553 -8.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.178 -0.385 -11.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.642 -0.751 -10.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.040 0.836 -10.294 1.00 0.00 H new ATOM 279 N ASP A 95 -10.590 2.482 -5.091 1.00 0.00 N ATOM 280 CA ASP A 95 -11.837 3.092 -4.648 1.00 0.00 C ATOM 281 C ASP A 95 -11.597 4.549 -4.259 1.00 0.00 C ATOM 282 O ASP A 95 -12.519 5.260 -3.864 1.00 0.00 O ATOM 283 CB ASP A 95 -12.380 2.312 -3.449 1.00 0.00 C ATOM 284 CG ASP A 95 -12.922 0.960 -3.905 1.00 0.00 C ATOM 285 OD1 ASP A 95 -13.110 0.788 -5.098 1.00 0.00 O ATOM 286 OD2 ASP A 95 -13.143 0.114 -3.052 1.00 0.00 O ATOM 0 H ASP A 95 -10.255 1.729 -4.489 1.00 0.00 H new ATOM 0 HA ASP A 95 -12.564 3.064 -5.460 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -11.590 2.166 -2.712 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -13.170 2.883 -2.961 1.00 0.00 H new ATOM 291 N GLY A 96 -10.341 4.980 -4.377 1.00 0.00 N ATOM 292 CA GLY A 96 -9.965 6.355 -4.049 1.00 0.00 C ATOM 293 C GLY A 96 -10.724 6.874 -2.834 1.00 0.00 C ATOM 294 O GLY A 96 -11.337 7.938 -2.895 1.00 0.00 O ATOM 0 H GLY A 96 -9.567 4.397 -4.697 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -8.893 6.403 -3.856 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.164 7.000 -4.905 1.00 0.00 H new ATOM 298 N ASN A 97 -10.688 6.124 -1.727 1.00 0.00 N ATOM 299 CA ASN A 97 -11.391 6.539 -0.506 1.00 0.00 C ATOM 300 C ASN A 97 -10.414 7.013 0.573 1.00 0.00 C ATOM 301 O ASN A 97 -10.797 7.174 1.730 1.00 0.00 O ATOM 302 CB ASN A 97 -12.258 5.388 0.030 1.00 0.00 C ATOM 303 CG ASN A 97 -11.393 4.274 0.607 1.00 0.00 C ATOM 304 OD1 ASN A 97 -10.394 3.881 0.009 1.00 0.00 O ATOM 305 ND2 ASN A 97 -11.735 3.727 1.744 1.00 0.00 N ATOM 0 H ASN A 97 -10.187 5.239 -1.650 1.00 0.00 H new ATOM 0 HA ASN A 97 -12.035 7.379 -0.765 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -12.933 5.764 0.799 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.879 4.992 -0.773 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -11.172 2.972 2.137 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -12.565 4.055 2.239 1.00 0.00 H new ATOM 312 N GLY A 98 -9.160 7.264 0.188 1.00 0.00 N ATOM 313 CA GLY A 98 -8.156 7.744 1.141 1.00 0.00 C ATOM 314 C GLY A 98 -7.725 6.643 2.102 1.00 0.00 C ATOM 315 O GLY A 98 -7.520 6.882 3.293 1.00 0.00 O ATOM 0 H GLY A 98 -8.818 7.145 -0.766 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.287 8.115 0.599 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.562 8.583 1.706 1.00 0.00 H new ATOM 319 N TYR A 99 -7.598 5.433 1.580 1.00 0.00 N ATOM 320 CA TYR A 99 -7.194 4.293 2.393 1.00 0.00 C ATOM 321 C TYR A 99 -6.596 3.217 1.503 1.00 0.00 C ATOM 322 O TYR A 99 -6.779 3.254 0.284 1.00 0.00 O ATOM 323 CB TYR A 99 -8.397 3.747 3.157 1.00 0.00 C ATOM 324 CG TYR A 99 -8.822 4.750 4.209 1.00 0.00 C ATOM 325 CD1 TYR A 99 -8.041 4.934 5.358 1.00 0.00 C ATOM 326 CD2 TYR A 99 -9.996 5.493 4.038 1.00 0.00 C ATOM 327 CE1 TYR A 99 -8.436 5.859 6.332 1.00 0.00 C ATOM 328 CE2 TYR A 99 -10.391 6.417 5.012 1.00 0.00 C ATOM 329 CZ TYR A 99 -9.609 6.602 6.158 1.00 0.00 C ATOM 330 OH TYR A 99 -9.999 7.513 7.119 1.00 0.00 O ATOM 0 H TYR A 99 -7.768 5.214 0.599 1.00 0.00 H new ATOM 0 HA TYR A 99 -6.441 4.611 3.114 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -9.221 3.553 2.470 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -8.143 2.797 3.626 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -7.135 4.362 5.492 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -10.598 5.353 3.153 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -7.835 5.999 7.218 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -11.299 6.987 4.879 1.00 0.00 H new ATOM 0 HH TYR A 99 -10.834 7.944 6.842 1.00 0.00 H new ATOM 340 N ILE A 100 -5.868 2.260 2.100 1.00 0.00 N ATOM 341 CA ILE A 100 -5.231 1.192 1.309 1.00 0.00 C ATOM 342 C ILE A 100 -5.681 -0.200 1.731 1.00 0.00 C ATOM 343 O ILE A 100 -5.447 -0.623 2.868 1.00 0.00 O ATOM 344 CB ILE A 100 -3.714 1.293 1.472 1.00 0.00 C ATOM 345 CG1 ILE A 100 -3.238 2.688 1.038 1.00 0.00 C ATOM 346 CG2 ILE A 100 -3.028 0.228 0.612 1.00 0.00 C ATOM 347 CD1 ILE A 100 -3.622 2.948 -0.426 1.00 0.00 C ATOM 0 H ILE A 100 -5.707 2.202 3.106 1.00 0.00 H new ATOM 0 HA ILE A 100 -5.529 1.331 0.270 1.00 0.00 H new ATOM 0 HB ILE A 100 -3.456 1.132 2.519 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -3.684 3.448 1.679 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.157 2.765 1.157 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -1.947 0.304 0.732 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.359 -0.762 0.926 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.289 0.382 -0.435 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.279 3.940 -0.721 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.155 2.198 -1.064 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.705 2.892 -0.534 1.00 0.00 H new ATOM 359 N SER A 101 -6.296 -0.933 0.781 1.00 0.00 N ATOM 360 CA SER A 101 -6.749 -2.308 1.042 1.00 0.00 C ATOM 361 C SER A 101 -5.801 -3.317 0.387 1.00 0.00 C ATOM 362 O SER A 101 -5.041 -2.978 -0.522 1.00 0.00 O ATOM 363 CB SER A 101 -8.163 -2.529 0.501 1.00 0.00 C ATOM 364 OG SER A 101 -9.092 -1.830 1.323 1.00 0.00 O ATOM 0 H SER A 101 -6.487 -0.598 -0.163 1.00 0.00 H new ATOM 0 HA SER A 101 -6.752 -2.456 2.122 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.231 -2.175 -0.528 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.399 -3.593 0.489 1.00 0.00 H new ATOM 0 HG SER A 101 -9.852 -2.414 1.527 1.00 0.00 H new ATOM 370 N ALA A 102 -5.843 -4.553 0.871 1.00 0.00 N ATOM 371 CA ALA A 102 -4.983 -5.611 0.348 1.00 0.00 C ATOM 372 C ALA A 102 -5.286 -5.919 -1.116 1.00 0.00 C ATOM 373 O ALA A 102 -4.374 -6.185 -1.899 1.00 0.00 O ATOM 374 CB ALA A 102 -5.168 -6.884 1.201 1.00 0.00 C ATOM 0 H ALA A 102 -6.463 -4.848 1.625 1.00 0.00 H new ATOM 0 HA ALA A 102 -3.950 -5.267 0.403 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.528 -7.677 0.815 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -4.898 -6.671 2.235 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -6.209 -7.204 1.156 1.00 0.00 H new ATOM 380 N ALA A 103 -6.562 -5.902 -1.476 1.00 0.00 N ATOM 381 CA ALA A 103 -6.967 -6.203 -2.838 1.00 0.00 C ATOM 382 C ALA A 103 -6.317 -5.242 -3.840 1.00 0.00 C ATOM 383 O ALA A 103 -5.997 -5.630 -4.967 1.00 0.00 O ATOM 384 CB ALA A 103 -8.494 -6.118 -2.940 1.00 0.00 C ATOM 0 H ALA A 103 -7.332 -5.683 -0.844 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.634 -7.211 -3.085 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.804 -6.343 -3.961 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.945 -6.838 -2.257 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.821 -5.112 -2.675 1.00 0.00 H new ATOM 390 N GLU A 104 -6.139 -3.994 -3.435 1.00 0.00 N ATOM 391 CA GLU A 104 -5.544 -2.991 -4.315 1.00 0.00 C ATOM 392 C GLU A 104 -4.075 -3.310 -4.583 1.00 0.00 C ATOM 393 O GLU A 104 -3.567 -3.065 -5.674 1.00 0.00 O ATOM 394 CB GLU A 104 -5.650 -1.609 -3.659 1.00 0.00 C ATOM 395 CG GLU A 104 -7.111 -1.328 -3.290 1.00 0.00 C ATOM 396 CD GLU A 104 -7.205 -0.100 -2.389 1.00 0.00 C ATOM 397 OE1 GLU A 104 -6.162 0.383 -1.970 1.00 0.00 O ATOM 398 OE2 GLU A 104 -8.318 0.319 -2.105 1.00 0.00 O ATOM 0 H GLU A 104 -6.395 -3.650 -2.510 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.083 -2.997 -5.263 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.025 -1.569 -2.767 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.282 -0.842 -4.341 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.697 -1.169 -4.195 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.537 -2.193 -2.782 1.00 0.00 H new ATOM 405 N LEU A 105 -3.385 -3.848 -3.581 1.00 0.00 N ATOM 406 CA LEU A 105 -1.970 -4.172 -3.737 1.00 0.00 C ATOM 407 C LEU A 105 -1.762 -5.278 -4.768 1.00 0.00 C ATOM 408 O LEU A 105 -1.056 -5.084 -5.748 1.00 0.00 O ATOM 409 CB LEU A 105 -1.393 -4.618 -2.386 1.00 0.00 C ATOM 410 CG LEU A 105 -1.798 -3.624 -1.292 1.00 0.00 C ATOM 411 CD1 LEU A 105 -1.047 -3.958 0.000 1.00 0.00 C ATOM 412 CD2 LEU A 105 -1.449 -2.199 -1.725 1.00 0.00 C ATOM 0 H LEU A 105 -3.776 -4.066 -2.664 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.455 -3.278 -4.088 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.757 -5.615 -2.137 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -0.307 -4.681 -2.448 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.873 -3.695 -1.125 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.333 -3.252 0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.299 -4.970 0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.027 -3.889 -0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.740 -1.499 -0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.375 -2.124 -1.898 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.982 -1.957 -2.644 1.00 0.00 H new ATOM 424 N ARG A 106 -2.376 -6.433 -4.545 1.00 0.00 N ATOM 425 CA ARG A 106 -2.226 -7.544 -5.472 1.00 0.00 C ATOM 426 C ARG A 106 -2.615 -7.121 -6.887 1.00 0.00 C ATOM 427 O ARG A 106 -1.885 -7.394 -7.844 1.00 0.00 O ATOM 428 CB ARG A 106 -3.080 -8.743 -5.012 1.00 0.00 C ATOM 429 CG ARG A 106 -4.570 -8.384 -5.015 1.00 0.00 C ATOM 430 CD ARG A 106 -5.363 -9.520 -4.363 1.00 0.00 C ATOM 431 NE ARG A 106 -6.799 -9.245 -4.406 1.00 0.00 N ATOM 432 CZ ARG A 106 -7.543 -9.589 -5.448 1.00 0.00 C ATOM 433 NH1 ARG A 106 -7.014 -10.221 -6.459 1.00 0.00 N ATOM 434 NH2 ARG A 106 -8.811 -9.303 -5.445 1.00 0.00 N ATOM 0 H ARG A 106 -2.975 -6.623 -3.741 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.179 -7.846 -5.482 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.905 -9.594 -5.671 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.777 -9.048 -4.010 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -4.733 -7.453 -4.473 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -4.915 -8.223 -6.036 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -5.153 -10.458 -4.877 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -5.043 -9.645 -3.328 1.00 0.00 H new ATOM 0 HE ARG A 106 -7.239 -8.777 -3.614 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -6.021 -10.454 -6.452 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -7.593 -10.482 -7.257 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -9.223 -8.819 -4.647 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -9.394 -9.562 -6.241 1.00 0.00 H new ATOM 448 N HIS A 107 -3.755 -6.447 -7.018 1.00 0.00 N ATOM 449 CA HIS A 107 -4.213 -5.995 -8.319 1.00 0.00 C ATOM 450 C HIS A 107 -3.233 -4.984 -8.909 1.00 0.00 C ATOM 451 O HIS A 107 -2.877 -5.075 -10.080 1.00 0.00 O ATOM 452 CB HIS A 107 -5.605 -5.345 -8.172 1.00 0.00 C ATOM 453 CG HIS A 107 -6.697 -6.370 -8.351 1.00 0.00 C ATOM 454 ND1 HIS A 107 -8.060 -6.236 -8.460 1.00 0.00 N flip ATOM 455 CD2 HIS A 107 -6.442 -7.729 -8.456 1.00 0.00 C flip ATOM 456 CE1 HIS A 107 -8.641 -7.487 -8.636 1.00 0.00 C flip ATOM 457 NE2 HIS A 107 -7.623 -8.351 -8.628 1.00 0.00 N flip ATOM 0 H HIS A 107 -4.371 -6.206 -6.242 1.00 0.00 H new ATOM 0 HA HIS A 107 -4.275 -6.851 -8.990 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -5.693 -4.881 -7.189 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -5.720 -4.551 -8.910 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -8.569 -5.353 -8.418 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -5.472 -8.202 -8.408 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -9.691 -7.712 -8.754 1.00 0.00 H new ATOM 466 N VAL A 108 -2.821 -4.011 -8.103 1.00 0.00 N ATOM 467 CA VAL A 108 -1.905 -2.989 -8.589 1.00 0.00 C ATOM 468 C VAL A 108 -0.563 -3.609 -8.957 1.00 0.00 C ATOM 469 O VAL A 108 -0.046 -3.362 -10.033 1.00 0.00 O ATOM 470 CB VAL A 108 -1.715 -1.898 -7.523 1.00 0.00 C ATOM 471 CG1 VAL A 108 -0.602 -0.932 -7.952 1.00 0.00 C ATOM 472 CG2 VAL A 108 -3.024 -1.109 -7.347 1.00 0.00 C ATOM 0 H VAL A 108 -3.101 -3.910 -7.128 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.332 -2.535 -9.483 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.441 -2.373 -6.581 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.475 -0.163 -7.191 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.331 -1.482 -8.072 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.871 -0.464 -8.899 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.884 -0.337 -6.590 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.299 -0.644 -8.294 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.818 -1.786 -7.032 1.00 0.00 H new ATOM 482 N MET A 109 -0.009 -4.421 -8.069 1.00 0.00 N ATOM 483 CA MET A 109 1.275 -5.065 -8.337 1.00 0.00 C ATOM 484 C MET A 109 1.181 -5.925 -9.594 1.00 0.00 C ATOM 485 O MET A 109 1.991 -5.792 -10.512 1.00 0.00 O ATOM 486 CB MET A 109 1.668 -5.940 -7.141 1.00 0.00 C ATOM 487 CG MET A 109 1.971 -5.059 -5.924 1.00 0.00 C ATOM 488 SD MET A 109 3.490 -4.122 -6.221 1.00 0.00 S ATOM 489 CE MET A 109 4.659 -5.493 -6.025 1.00 0.00 C ATOM 0 H MET A 109 -0.421 -4.650 -7.164 1.00 0.00 H new ATOM 0 HA MET A 109 2.033 -4.297 -8.492 1.00 0.00 H new ATOM 0 HB2 MET A 109 0.860 -6.633 -6.906 1.00 0.00 H new ATOM 0 HB3 MET A 109 2.542 -6.541 -7.391 1.00 0.00 H new ATOM 0 HG2 MET A 109 1.141 -4.377 -5.739 1.00 0.00 H new ATOM 0 HG3 MET A 109 2.080 -5.677 -5.033 1.00 0.00 H new ATOM 0 HE1 MET A 109 5.649 -5.097 -5.798 1.00 0.00 H new ATOM 0 HE2 MET A 109 4.330 -6.138 -5.210 1.00 0.00 H new ATOM 0 HE3 MET A 109 4.702 -6.070 -6.949 1.00 0.00 H new ATOM 499 N THR A 110 0.169 -6.785 -9.648 1.00 0.00 N ATOM 500 CA THR A 110 -0.026 -7.640 -10.813 1.00 0.00 C ATOM 501 C THR A 110 -0.271 -6.783 -12.052 1.00 0.00 C ATOM 502 O THR A 110 0.291 -7.036 -13.116 1.00 0.00 O ATOM 503 CB THR A 110 -1.215 -8.580 -10.584 1.00 0.00 C ATOM 504 OG1 THR A 110 -0.934 -9.427 -9.480 1.00 0.00 O ATOM 505 CG2 THR A 110 -1.447 -9.440 -11.831 1.00 0.00 C ATOM 0 H THR A 110 -0.522 -6.908 -8.908 1.00 0.00 H new ATOM 0 HA THR A 110 0.872 -8.238 -10.966 1.00 0.00 H new ATOM 0 HB THR A 110 -2.108 -7.988 -10.383 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.176 -8.970 -8.647 1.00 0.00 H new ATOM 0 HG21 THR A 110 -2.293 -10.106 -11.662 1.00 0.00 H new ATOM 0 HG22 THR A 110 -1.658 -8.795 -12.684 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.555 -10.032 -12.036 1.00 0.00 H new ATOM 513 N ASN A 111 -1.113 -5.767 -11.899 1.00 0.00 N ATOM 514 CA ASN A 111 -1.428 -4.867 -13.001 1.00 0.00 C ATOM 515 C ASN A 111 -0.181 -4.104 -13.430 1.00 0.00 C ATOM 516 O ASN A 111 0.039 -3.857 -14.612 1.00 0.00 O ATOM 517 CB ASN A 111 -2.513 -3.881 -12.572 1.00 0.00 C ATOM 518 CG ASN A 111 -2.852 -2.937 -13.722 1.00 0.00 C ATOM 519 OD1 ASN A 111 -2.514 -1.757 -13.677 1.00 0.00 O ATOM 520 ND2 ASN A 111 -3.519 -3.386 -14.748 1.00 0.00 N ATOM 0 H ASN A 111 -1.589 -5.547 -11.024 1.00 0.00 H new ATOM 0 HA ASN A 111 -1.790 -5.457 -13.843 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -3.406 -4.424 -12.262 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -2.173 -3.308 -11.709 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -3.760 -2.757 -15.514 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -3.799 -4.366 -14.785 1.00 0.00 H new ATOM 527 N LEU A 112 0.626 -3.742 -12.449 1.00 0.00 N ATOM 528 CA LEU A 112 1.853 -3.009 -12.699 1.00 0.00 C ATOM 529 C LEU A 112 2.785 -3.815 -13.584 1.00 0.00 C ATOM 530 O LEU A 112 3.478 -3.256 -14.440 1.00 0.00 O ATOM 531 CB LEU A 112 2.549 -2.686 -11.360 1.00 0.00 C ATOM 532 CG LEU A 112 2.009 -1.368 -10.785 1.00 0.00 C ATOM 533 CD1 LEU A 112 2.537 -1.181 -9.362 1.00 0.00 C ATOM 534 CD2 LEU A 112 2.473 -0.184 -11.664 1.00 0.00 C ATOM 0 H LEU A 112 0.451 -3.946 -11.465 1.00 0.00 H new ATOM 0 HA LEU A 112 1.606 -2.080 -13.212 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.382 -3.496 -10.650 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.626 -2.611 -11.510 1.00 0.00 H new ATOM 0 HG LEU A 112 0.920 -1.401 -10.771 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.155 -0.246 -8.952 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.207 -2.012 -8.739 1.00 0.00 H new ATOM 0 HD13 LEU A 112 3.626 -1.151 -9.379 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.087 0.748 -11.252 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.562 -0.149 -11.682 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.097 -0.315 -12.679 1.00 0.00 H new ATOM 546 N GLY A 113 2.810 -5.121 -13.365 1.00 0.00 N ATOM 547 CA GLY A 113 3.673 -6.014 -14.148 1.00 0.00 C ATOM 548 C GLY A 113 4.547 -6.867 -13.232 1.00 0.00 C ATOM 549 O GLY A 113 5.291 -7.730 -13.698 1.00 0.00 O ATOM 0 H GLY A 113 2.248 -5.592 -12.656 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.060 -6.659 -14.777 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.303 -5.425 -14.814 1.00 0.00 H new ATOM 553 N GLU A 114 4.452 -6.617 -11.930 1.00 0.00 N ATOM 554 CA GLU A 114 5.241 -7.364 -10.953 1.00 0.00 C ATOM 555 C GLU A 114 4.735 -8.800 -10.820 1.00 0.00 C ATOM 556 O GLU A 114 3.881 -9.238 -11.589 1.00 0.00 O ATOM 557 CB GLU A 114 5.182 -6.660 -9.596 1.00 0.00 C ATOM 558 CG GLU A 114 5.904 -5.310 -9.688 1.00 0.00 C ATOM 559 CD GLU A 114 7.397 -5.529 -9.920 1.00 0.00 C ATOM 560 OE1 GLU A 114 7.870 -6.611 -9.617 1.00 0.00 O ATOM 561 OE2 GLU A 114 8.046 -4.610 -10.393 1.00 0.00 O ATOM 0 H GLU A 114 3.840 -5.907 -11.527 1.00 0.00 H new ATOM 0 HA GLU A 114 6.274 -7.400 -11.300 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.145 -6.510 -9.297 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.647 -7.282 -8.831 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.484 -4.719 -10.502 1.00 0.00 H new ATOM 0 HG3 GLU A 114 5.750 -4.743 -8.770 1.00 0.00 H new ATOM 568 N LYS A 115 5.279 -9.534 -9.847 1.00 0.00 N ATOM 569 CA LYS A 115 4.885 -10.932 -9.634 1.00 0.00 C ATOM 570 C LYS A 115 4.860 -11.281 -8.140 1.00 0.00 C ATOM 571 O LYS A 115 5.442 -12.264 -7.708 1.00 0.00 O ATOM 572 CB LYS A 115 5.860 -11.860 -10.364 1.00 0.00 C ATOM 573 CG LYS A 115 5.734 -11.660 -11.881 1.00 0.00 C ATOM 574 CD LYS A 115 6.664 -12.636 -12.609 1.00 0.00 C ATOM 575 CE LYS A 115 6.537 -12.438 -14.123 1.00 0.00 C ATOM 576 NZ LYS A 115 7.114 -11.116 -14.496 1.00 0.00 N ATOM 0 H LYS A 115 5.987 -9.190 -9.199 1.00 0.00 H new ATOM 0 HA LYS A 115 3.879 -11.066 -10.032 1.00 0.00 H new ATOM 0 HB2 LYS A 115 6.881 -11.653 -10.045 1.00 0.00 H new ATOM 0 HB3 LYS A 115 5.650 -12.898 -10.106 1.00 0.00 H new ATOM 0 HG2 LYS A 115 4.703 -11.823 -12.195 1.00 0.00 H new ATOM 0 HG3 LYS A 115 5.989 -10.634 -12.145 1.00 0.00 H new ATOM 0 HD2 LYS A 115 7.695 -12.473 -12.296 1.00 0.00 H new ATOM 0 HD3 LYS A 115 6.409 -13.662 -12.344 1.00 0.00 H new ATOM 0 HE2 LYS A 115 7.058 -13.237 -14.651 1.00 0.00 H new ATOM 0 HE3 LYS A 115 5.490 -12.488 -14.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 7.296 -11.093 -15.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 6.443 -10.362 -14.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 8.007 -10.970 -13.983 1.00 0.00 H new ATOM 590 N LEU A 116 4.161 -10.476 -7.376 1.00 0.00 N ATOM 591 CA LEU A 116 4.013 -10.688 -5.935 1.00 0.00 C ATOM 592 C LEU A 116 3.099 -11.885 -5.649 1.00 0.00 C ATOM 593 O LEU A 116 2.494 -12.448 -6.561 1.00 0.00 O ATOM 594 CB LEU A 116 3.425 -9.418 -5.275 1.00 0.00 C ATOM 595 CG LEU A 116 1.943 -9.202 -5.692 1.00 0.00 C ATOM 596 CD1 LEU A 116 1.772 -9.386 -7.209 1.00 0.00 C ATOM 597 CD2 LEU A 116 1.008 -10.181 -4.946 1.00 0.00 C ATOM 0 H LEU A 116 3.674 -9.651 -7.726 1.00 0.00 H new ATOM 0 HA LEU A 116 4.998 -10.896 -5.517 1.00 0.00 H new ATOM 0 HB2 LEU A 116 3.491 -9.505 -4.190 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.017 -8.549 -5.562 1.00 0.00 H new ATOM 0 HG LEU A 116 1.672 -8.181 -5.422 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.727 -9.230 -7.479 1.00 0.00 H new ATOM 0 HD12 LEU A 116 2.395 -8.663 -7.736 1.00 0.00 H new ATOM 0 HD13 LEU A 116 2.073 -10.396 -7.489 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -0.022 -10.008 -5.257 1.00 0.00 H new ATOM 0 HD22 LEU A 116 1.291 -11.207 -5.183 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.095 -10.020 -3.872 1.00 0.00 H new ATOM 609 N THR A 117 2.950 -12.245 -4.368 1.00 0.00 N ATOM 610 CA THR A 117 2.054 -13.344 -3.979 1.00 0.00 C ATOM 611 C THR A 117 0.901 -12.819 -3.110 1.00 0.00 C ATOM 612 O THR A 117 1.117 -12.074 -2.157 1.00 0.00 O ATOM 613 CB THR A 117 2.846 -14.395 -3.208 1.00 0.00 C ATOM 614 OG1 THR A 117 3.530 -13.771 -2.133 1.00 0.00 O ATOM 615 CG2 THR A 117 3.864 -15.058 -4.138 1.00 0.00 C ATOM 0 H THR A 117 3.433 -11.797 -3.589 1.00 0.00 H new ATOM 0 HA THR A 117 1.632 -13.791 -4.879 1.00 0.00 H new ATOM 0 HB THR A 117 2.163 -15.151 -2.821 1.00 0.00 H new ATOM 0 HG1 THR A 117 4.183 -14.396 -1.754 1.00 0.00 H new ATOM 0 HG21 THR A 117 4.428 -15.808 -3.584 1.00 0.00 H new ATOM 0 HG22 THR A 117 3.342 -15.535 -4.967 1.00 0.00 H new ATOM 0 HG23 THR A 117 4.548 -14.303 -4.526 1.00 0.00 H new ATOM 623 N ASP A 118 -0.326 -13.215 -3.451 1.00 0.00 N ATOM 624 CA ASP A 118 -1.503 -12.772 -2.704 1.00 0.00 C ATOM 625 C ASP A 118 -1.340 -13.052 -1.210 1.00 0.00 C ATOM 626 O ASP A 118 -1.761 -12.258 -0.368 1.00 0.00 O ATOM 627 CB ASP A 118 -2.753 -13.495 -3.221 1.00 0.00 C ATOM 628 CG ASP A 118 -3.119 -12.987 -4.613 1.00 0.00 C ATOM 629 OD1 ASP A 118 -2.563 -11.974 -5.020 1.00 0.00 O ATOM 630 OD2 ASP A 118 -3.944 -13.623 -5.256 1.00 0.00 O ATOM 0 H ASP A 118 -0.530 -13.837 -4.233 1.00 0.00 H new ATOM 0 HA ASP A 118 -1.611 -11.697 -2.849 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -2.573 -14.569 -3.254 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -3.585 -13.332 -2.536 1.00 0.00 H new ATOM 635 N GLU A 119 -0.724 -14.185 -0.892 1.00 0.00 N ATOM 636 CA GLU A 119 -0.510 -14.570 0.501 1.00 0.00 C ATOM 637 C GLU A 119 0.368 -13.540 1.217 1.00 0.00 C ATOM 638 O GLU A 119 0.169 -13.246 2.403 1.00 0.00 O ATOM 639 CB GLU A 119 0.152 -15.954 0.561 1.00 0.00 C ATOM 640 CG GLU A 119 -0.794 -16.999 -0.045 1.00 0.00 C ATOM 641 CD GLU A 119 -0.147 -18.386 -0.044 1.00 0.00 C ATOM 642 OE1 GLU A 119 1.027 -18.473 -0.362 1.00 0.00 O ATOM 643 OE2 GLU A 119 -0.839 -19.342 0.273 1.00 0.00 O ATOM 0 H GLU A 119 -0.365 -14.852 -1.575 1.00 0.00 H new ATOM 0 HA GLU A 119 -1.476 -14.609 1.004 1.00 0.00 H new ATOM 0 HB2 GLU A 119 1.095 -15.942 0.015 1.00 0.00 H new ATOM 0 HB3 GLU A 119 0.384 -16.213 1.594 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -1.724 -17.027 0.523 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -1.052 -16.714 -1.065 1.00 0.00 H new ATOM 650 N GLU A 120 1.307 -12.951 0.480 1.00 0.00 N ATOM 651 CA GLU A 120 2.170 -11.923 1.053 1.00 0.00 C ATOM 652 C GLU A 120 1.398 -10.617 1.205 1.00 0.00 C ATOM 653 O GLU A 120 1.439 -9.993 2.255 1.00 0.00 O ATOM 654 CB GLU A 120 3.404 -11.701 0.172 1.00 0.00 C ATOM 655 CG GLU A 120 4.397 -12.855 0.364 1.00 0.00 C ATOM 656 CD GLU A 120 5.583 -12.691 -0.586 1.00 0.00 C ATOM 657 OE1 GLU A 120 5.632 -11.685 -1.274 1.00 0.00 O ATOM 658 OE2 GLU A 120 6.424 -13.574 -0.606 1.00 0.00 O ATOM 0 H GLU A 120 1.488 -13.164 -0.501 1.00 0.00 H new ATOM 0 HA GLU A 120 2.501 -12.259 2.036 1.00 0.00 H new ATOM 0 HB2 GLU A 120 3.107 -11.635 -0.875 1.00 0.00 H new ATOM 0 HB3 GLU A 120 3.879 -10.754 0.429 1.00 0.00 H new ATOM 0 HG2 GLU A 120 4.748 -12.875 1.396 1.00 0.00 H new ATOM 0 HG3 GLU A 120 3.900 -13.807 0.177 1.00 0.00 H new ATOM 665 N VAL A 121 0.679 -10.233 0.155 1.00 0.00 N ATOM 666 CA VAL A 121 -0.124 -9.016 0.186 1.00 0.00 C ATOM 667 C VAL A 121 -1.002 -9.023 1.433 1.00 0.00 C ATOM 668 O VAL A 121 -0.804 -8.235 2.357 1.00 0.00 O ATOM 669 CB VAL A 121 -0.995 -8.933 -1.084 1.00 0.00 C ATOM 670 CG1 VAL A 121 -2.201 -8.019 -0.850 1.00 0.00 C ATOM 671 CG2 VAL A 121 -0.163 -8.373 -2.243 1.00 0.00 C ATOM 0 H VAL A 121 0.636 -10.746 -0.726 1.00 0.00 H new ATOM 0 HA VAL A 121 0.530 -8.145 0.216 1.00 0.00 H new ATOM 0 HB VAL A 121 -1.348 -9.935 -1.327 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -2.804 -7.973 -1.757 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -2.804 -8.415 -0.033 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -1.854 -7.018 -0.593 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -0.780 -8.315 -3.139 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.196 -7.377 -1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.688 -9.028 -2.430 1.00 0.00 H new ATOM 681 N ASP A 122 -1.970 -9.929 1.447 1.00 0.00 N ATOM 682 CA ASP A 122 -2.887 -10.057 2.572 1.00 0.00 C ATOM 683 C ASP A 122 -2.117 -10.019 3.890 1.00 0.00 C ATOM 684 O ASP A 122 -2.520 -9.335 4.831 1.00 0.00 O ATOM 685 CB ASP A 122 -3.649 -11.381 2.440 1.00 0.00 C ATOM 686 CG ASP A 122 -4.863 -11.400 3.364 1.00 0.00 C ATOM 687 OD1 ASP A 122 -5.214 -10.348 3.874 1.00 0.00 O ATOM 688 OD2 ASP A 122 -5.432 -12.467 3.537 1.00 0.00 O ATOM 0 H ASP A 122 -2.141 -10.589 0.688 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.592 -9.226 2.567 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -3.970 -11.520 1.408 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -2.988 -12.213 2.683 1.00 0.00 H new ATOM 693 N GLU A 123 -0.997 -10.738 3.951 1.00 0.00 N ATOM 694 CA GLU A 123 -0.180 -10.749 5.159 1.00 0.00 C ATOM 695 C GLU A 123 0.510 -9.398 5.374 1.00 0.00 C ATOM 696 O GLU A 123 0.666 -8.939 6.506 1.00 0.00 O ATOM 697 CB GLU A 123 0.874 -11.864 5.071 1.00 0.00 C ATOM 698 CG GLU A 123 0.206 -13.227 5.278 1.00 0.00 C ATOM 699 CD GLU A 123 -0.267 -13.371 6.725 1.00 0.00 C ATOM 700 OE1 GLU A 123 0.089 -12.527 7.530 1.00 0.00 O ATOM 701 OE2 GLU A 123 -0.975 -14.324 7.005 1.00 0.00 O ATOM 0 H GLU A 123 -0.640 -11.313 3.188 1.00 0.00 H new ATOM 0 HA GLU A 123 -0.837 -10.936 6.009 1.00 0.00 H new ATOM 0 HB2 GLU A 123 1.368 -11.834 4.100 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.645 -11.708 5.825 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -0.640 -13.332 4.599 1.00 0.00 H new ATOM 0 HG3 GLU A 123 0.909 -14.025 5.037 1.00 0.00 H new ATOM 708 N MET A 124 0.934 -8.769 4.282 1.00 0.00 N ATOM 709 CA MET A 124 1.623 -7.481 4.354 1.00 0.00 C ATOM 710 C MET A 124 0.849 -6.486 5.215 1.00 0.00 C ATOM 711 O MET A 124 1.286 -6.123 6.304 1.00 0.00 O ATOM 712 CB MET A 124 1.786 -6.905 2.918 1.00 0.00 C ATOM 713 CG MET A 124 3.211 -6.390 2.701 1.00 0.00 C ATOM 714 SD MET A 124 3.388 -5.785 1.003 1.00 0.00 S ATOM 715 CE MET A 124 2.843 -4.089 1.312 1.00 0.00 C ATOM 0 H MET A 124 0.813 -9.129 3.335 1.00 0.00 H new ATOM 0 HA MET A 124 2.600 -7.639 4.811 1.00 0.00 H new ATOM 0 HB2 MET A 124 1.557 -7.677 2.183 1.00 0.00 H new ATOM 0 HB3 MET A 124 1.073 -6.095 2.763 1.00 0.00 H new ATOM 0 HG2 MET A 124 3.430 -5.589 3.407 1.00 0.00 H new ATOM 0 HG3 MET A 124 3.929 -7.188 2.890 1.00 0.00 H new ATOM 0 HE1 MET A 124 2.957 -3.499 0.403 1.00 0.00 H new ATOM 0 HE2 MET A 124 1.795 -4.093 1.613 1.00 0.00 H new ATOM 0 HE3 MET A 124 3.447 -3.652 2.107 1.00 0.00 H new ATOM 725 N ILE A 125 -0.301 -6.053 4.712 1.00 0.00 N ATOM 726 CA ILE A 125 -1.117 -5.093 5.435 1.00 0.00 C ATOM 727 C ILE A 125 -1.367 -5.591 6.858 1.00 0.00 C ATOM 728 O ILE A 125 -1.250 -4.833 7.816 1.00 0.00 O ATOM 729 CB ILE A 125 -2.465 -4.897 4.706 1.00 0.00 C ATOM 730 CG1 ILE A 125 -2.254 -4.006 3.477 1.00 0.00 C ATOM 731 CG2 ILE A 125 -3.484 -4.238 5.651 1.00 0.00 C ATOM 732 CD1 ILE A 125 -3.582 -3.849 2.734 1.00 0.00 C ATOM 0 H ILE A 125 -0.684 -6.350 3.815 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.591 -4.139 5.478 1.00 0.00 H new ATOM 0 HB ILE A 125 -2.848 -5.869 4.393 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -1.877 -3.030 3.781 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -1.505 -4.446 2.818 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -4.431 -4.104 5.128 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -3.637 -4.875 6.522 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -3.107 -3.267 5.973 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -3.437 -3.216 1.859 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -3.940 -4.829 2.418 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -4.317 -3.390 3.396 1.00 0.00 H new ATOM 744 N ARG A 126 -1.721 -6.860 6.979 1.00 0.00 N ATOM 745 CA ARG A 126 -2.010 -7.446 8.281 1.00 0.00 C ATOM 746 C ARG A 126 -0.883 -7.190 9.274 1.00 0.00 C ATOM 747 O ARG A 126 -1.141 -6.901 10.443 1.00 0.00 O ATOM 748 CB ARG A 126 -2.229 -8.953 8.116 1.00 0.00 C ATOM 749 CG ARG A 126 -3.568 -9.211 7.399 1.00 0.00 C ATOM 750 CD ARG A 126 -4.708 -9.251 8.419 1.00 0.00 C ATOM 751 NE ARG A 126 -5.986 -9.395 7.739 1.00 0.00 N ATOM 752 CZ ARG A 126 -7.104 -8.951 8.292 1.00 0.00 C ATOM 753 NH1 ARG A 126 -7.061 -8.384 9.463 1.00 0.00 N ATOM 754 NH2 ARG A 126 -8.238 -9.096 7.670 1.00 0.00 N ATOM 0 H ARG A 126 -1.816 -7.504 6.194 1.00 0.00 H new ATOM 0 HA ARG A 126 -2.911 -6.977 8.677 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -1.410 -9.388 7.544 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -2.229 -9.439 9.092 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -3.754 -8.427 6.664 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -3.523 -10.154 6.855 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -4.559 -10.082 9.109 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -4.705 -8.338 9.014 1.00 0.00 H new ATOM 0 HE ARG A 126 -6.021 -9.844 6.824 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -6.170 -8.284 9.949 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -7.919 -8.040 9.895 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -8.265 -9.551 6.758 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -9.100 -8.754 8.095 1.00 0.00 H new ATOM 768 N GLU A 127 0.364 -7.301 8.826 1.00 0.00 N ATOM 769 CA GLU A 127 1.497 -7.066 9.714 1.00 0.00 C ATOM 770 C GLU A 127 1.807 -5.570 9.820 1.00 0.00 C ATOM 771 O GLU A 127 2.087 -5.063 10.907 1.00 0.00 O ATOM 772 CB GLU A 127 2.726 -7.838 9.209 1.00 0.00 C ATOM 773 CG GLU A 127 2.437 -9.345 9.223 1.00 0.00 C ATOM 774 CD GLU A 127 2.205 -9.833 10.650 1.00 0.00 C ATOM 775 OE1 GLU A 127 3.035 -9.545 11.496 1.00 0.00 O ATOM 776 OE2 GLU A 127 1.202 -10.488 10.876 1.00 0.00 O ATOM 0 H GLU A 127 0.613 -7.548 7.868 1.00 0.00 H new ATOM 0 HA GLU A 127 1.238 -7.425 10.710 1.00 0.00 H new ATOM 0 HB2 GLU A 127 2.979 -7.517 8.199 1.00 0.00 H new ATOM 0 HB3 GLU A 127 3.588 -7.618 9.838 1.00 0.00 H new ATOM 0 HG2 GLU A 127 1.560 -9.558 8.613 1.00 0.00 H new ATOM 0 HG3 GLU A 127 3.273 -9.885 8.779 1.00 0.00 H new ATOM 783 N ALA A 128 1.755 -4.868 8.688 1.00 0.00 N ATOM 784 CA ALA A 128 2.031 -3.429 8.673 1.00 0.00 C ATOM 785 C ALA A 128 0.971 -2.667 9.461 1.00 0.00 C ATOM 786 O ALA A 128 1.286 -1.930 10.394 1.00 0.00 O ATOM 787 CB ALA A 128 2.060 -2.926 7.225 1.00 0.00 C ATOM 0 H ALA A 128 1.527 -5.266 7.777 1.00 0.00 H new ATOM 0 HA ALA A 128 3.000 -3.256 9.141 1.00 0.00 H new ATOM 0 HB1 ALA A 128 2.265 -1.856 7.216 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.840 -3.450 6.673 1.00 0.00 H new ATOM 0 HB3 ALA A 128 1.095 -3.114 6.755 1.00 0.00 H new ATOM 793 N ASP A 129 -0.292 -2.856 9.083 1.00 0.00 N ATOM 794 CA ASP A 129 -1.401 -2.178 9.757 1.00 0.00 C ATOM 795 C ASP A 129 -1.174 -2.146 11.267 1.00 0.00 C ATOM 796 O ASP A 129 -0.856 -3.164 11.876 1.00 0.00 O ATOM 797 CB ASP A 129 -2.712 -2.909 9.451 1.00 0.00 C ATOM 798 CG ASP A 129 -3.893 -2.162 10.056 1.00 0.00 C ATOM 799 OD1 ASP A 129 -3.718 -1.573 11.108 1.00 0.00 O ATOM 800 OD2 ASP A 129 -4.962 -2.201 9.462 1.00 0.00 O ATOM 0 H ASP A 129 -0.573 -3.469 8.318 1.00 0.00 H new ATOM 0 HA ASP A 129 -1.457 -1.153 9.391 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -2.843 -2.996 8.372 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -2.672 -3.922 9.850 1.00 0.00 H new ATOM 805 N ILE A 130 -1.328 -0.967 11.859 1.00 0.00 N ATOM 806 CA ILE A 130 -1.130 -0.809 13.304 1.00 0.00 C ATOM 807 C ILE A 130 -2.426 -1.091 14.058 1.00 0.00 C ATOM 808 O ILE A 130 -2.409 -1.605 15.176 1.00 0.00 O ATOM 809 CB ILE A 130 -0.641 0.611 13.627 1.00 0.00 C ATOM 810 CG1 ILE A 130 0.677 0.872 12.894 1.00 0.00 C ATOM 811 CG2 ILE A 130 -0.417 0.749 15.142 1.00 0.00 C ATOM 812 CD1 ILE A 130 1.195 2.273 13.242 1.00 0.00 C ATOM 0 H ILE A 130 -1.587 -0.110 11.370 1.00 0.00 H new ATOM 0 HA ILE A 130 -0.374 -1.526 13.622 1.00 0.00 H new ATOM 0 HB ILE A 130 -1.390 1.334 13.305 1.00 0.00 H new ATOM 0 HG12 ILE A 130 1.415 0.121 13.175 1.00 0.00 H new ATOM 0 HG13 ILE A 130 0.529 0.786 11.818 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -0.070 1.757 15.368 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -1.354 0.561 15.667 1.00 0.00 H new ATOM 0 HG23 ILE A 130 0.332 0.026 15.466 1.00 0.00 H new ATOM 0 HD11 ILE A 130 2.133 2.454 12.718 1.00 0.00 H new ATOM 0 HD12 ILE A 130 0.460 3.018 12.939 1.00 0.00 H new ATOM 0 HD13 ILE A 130 1.360 2.343 14.317 1.00 0.00 H new ATOM 824 N ASP A 131 -3.547 -0.738 13.439 1.00 0.00 N ATOM 825 CA ASP A 131 -4.864 -0.941 14.053 1.00 0.00 C ATOM 826 C ASP A 131 -5.463 -2.284 13.630 1.00 0.00 C ATOM 827 O ASP A 131 -6.538 -2.671 14.089 1.00 0.00 O ATOM 828 CB ASP A 131 -5.802 0.196 13.637 1.00 0.00 C ATOM 829 CG ASP A 131 -5.342 1.514 14.259 1.00 0.00 C ATOM 830 OD1 ASP A 131 -4.552 1.466 15.187 1.00 0.00 O ATOM 831 OD2 ASP A 131 -5.788 2.552 13.794 1.00 0.00 O ATOM 0 H ASP A 131 -3.575 -0.310 12.514 1.00 0.00 H new ATOM 0 HA ASP A 131 -4.745 -0.944 15.136 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -5.819 0.284 12.551 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -6.820 -0.028 13.954 1.00 0.00 H new ATOM 836 N GLY A 132 -4.758 -2.988 12.745 1.00 0.00 N ATOM 837 CA GLY A 132 -5.221 -4.288 12.262 1.00 0.00 C ATOM 838 C GLY A 132 -6.706 -4.249 11.925 1.00 0.00 C ATOM 839 O GLY A 132 -7.518 -4.923 12.562 1.00 0.00 O ATOM 0 H GLY A 132 -3.869 -2.682 12.350 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -4.651 -4.575 11.378 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -5.037 -5.048 13.021 1.00 0.00 H new ATOM 843 N ASP A 133 -7.056 -3.444 10.923 1.00 0.00 N ATOM 844 CA ASP A 133 -8.451 -3.296 10.500 1.00 0.00 C ATOM 845 C ASP A 133 -8.602 -3.588 9.011 1.00 0.00 C ATOM 846 O ASP A 133 -9.654 -4.045 8.563 1.00 0.00 O ATOM 847 CB ASP A 133 -8.911 -1.867 10.784 1.00 0.00 C ATOM 848 CG ASP A 133 -8.021 -0.875 10.040 1.00 0.00 C ATOM 849 OD1 ASP A 133 -6.813 -0.931 10.226 1.00 0.00 O ATOM 850 OD2 ASP A 133 -8.559 -0.074 9.290 1.00 0.00 O ATOM 0 H ASP A 133 -6.393 -2.883 10.387 1.00 0.00 H new ATOM 0 HA ASP A 133 -9.062 -4.007 11.056 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -9.948 -1.742 10.474 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -8.873 -1.670 11.855 1.00 0.00 H new ATOM 855 N GLY A 134 -7.543 -3.332 8.244 1.00 0.00 N ATOM 856 CA GLY A 134 -7.563 -3.572 6.797 1.00 0.00 C ATOM 857 C GLY A 134 -7.319 -2.287 6.016 1.00 0.00 C ATOM 858 O GLY A 134 -7.243 -2.312 4.793 1.00 0.00 O ATOM 0 H GLY A 134 -6.661 -2.959 8.597 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -6.801 -4.307 6.538 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -8.525 -3.996 6.510 1.00 0.00 H new ATOM 862 N GLN A 135 -7.195 -1.167 6.722 1.00 0.00 N ATOM 863 CA GLN A 135 -6.958 0.123 6.064 1.00 0.00 C ATOM 864 C GLN A 135 -5.638 0.693 6.542 1.00 0.00 C ATOM 865 O GLN A 135 -5.479 1.009 7.718 1.00 0.00 O ATOM 866 CB GLN A 135 -8.108 1.095 6.362 1.00 0.00 C ATOM 867 CG GLN A 135 -9.445 0.435 5.982 1.00 0.00 C ATOM 868 CD GLN A 135 -9.440 -0.007 4.515 1.00 0.00 C ATOM 869 OE1 GLN A 135 -9.247 0.808 3.616 1.00 0.00 O ATOM 870 NE2 GLN A 135 -9.648 -1.262 4.222 1.00 0.00 N ATOM 0 H GLN A 135 -7.253 -1.121 7.739 1.00 0.00 H new ATOM 0 HA GLN A 135 -6.913 -0.024 4.985 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -8.109 1.362 7.419 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -7.973 2.019 5.800 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -9.625 -0.427 6.625 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -10.262 1.136 6.152 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -9.808 -1.940 4.967 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -9.650 -1.565 3.248 1.00 0.00 H new ATOM 879 N VAL A 136 -4.690 0.844 5.617 1.00 0.00 N ATOM 880 CA VAL A 136 -3.374 1.392 5.970 1.00 0.00 C ATOM 881 C VAL A 136 -3.210 2.801 5.405 1.00 0.00 C ATOM 882 O VAL A 136 -3.400 3.028 4.207 1.00 0.00 O ATOM 883 CB VAL A 136 -2.257 0.501 5.422 1.00 0.00 C ATOM 884 CG1 VAL A 136 -0.914 0.989 5.952 1.00 0.00 C ATOM 885 CG2 VAL A 136 -2.471 -0.943 5.857 1.00 0.00 C ATOM 0 H VAL A 136 -4.802 0.600 4.633 1.00 0.00 H new ATOM 0 HA VAL A 136 -3.308 1.429 7.057 1.00 0.00 H new ATOM 0 HB VAL A 136 -2.269 0.551 4.333 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -0.117 0.355 5.563 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -0.749 2.018 5.632 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -0.914 0.943 7.041 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -1.669 -1.565 5.460 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -2.469 -0.999 6.946 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -3.429 -1.299 5.477 1.00 0.00 H new ATOM 895 N ASN A 137 -2.850 3.734 6.284 1.00 0.00 N ATOM 896 CA ASN A 137 -2.648 5.116 5.871 1.00 0.00 C ATOM 897 C ASN A 137 -1.448 5.199 4.926 1.00 0.00 C ATOM 898 O ASN A 137 -1.141 4.242 4.213 1.00 0.00 O ATOM 899 CB ASN A 137 -2.418 5.999 7.095 1.00 0.00 C ATOM 900 CG ASN A 137 -2.718 7.455 6.756 1.00 0.00 C ATOM 901 OD1 ASN A 137 -3.649 7.738 6.003 1.00 0.00 O ATOM 902 ND2 ASN A 137 -1.977 8.397 7.264 1.00 0.00 N ATOM 0 H ASN A 137 -2.694 3.558 7.277 1.00 0.00 H new ATOM 0 HA ASN A 137 -3.537 5.469 5.349 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -3.056 5.670 7.915 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -1.387 5.902 7.434 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -2.167 9.373 7.038 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -1.206 8.159 7.888 1.00 0.00 H new ATOM 909 N TYR A 138 -0.788 6.355 4.912 1.00 0.00 N ATOM 910 CA TYR A 138 0.375 6.562 4.048 1.00 0.00 C ATOM 911 C TYR A 138 1.667 6.085 4.723 1.00 0.00 C ATOM 912 O TYR A 138 2.394 5.274 4.163 1.00 0.00 O ATOM 913 CB TYR A 138 0.479 8.050 3.687 1.00 0.00 C ATOM 914 CG TYR A 138 -0.810 8.497 3.027 1.00 0.00 C ATOM 915 CD1 TYR A 138 -1.022 8.240 1.670 1.00 0.00 C ATOM 916 CD2 TYR A 138 -1.790 9.162 3.775 1.00 0.00 C ATOM 917 CE1 TYR A 138 -2.214 8.648 1.054 1.00 0.00 C ATOM 918 CE2 TYR A 138 -2.983 9.570 3.161 1.00 0.00 C ATOM 919 CZ TYR A 138 -3.193 9.312 1.801 1.00 0.00 C ATOM 920 OH TYR A 138 -4.368 9.710 1.196 1.00 0.00 O ATOM 0 H TYR A 138 -1.036 7.161 5.486 1.00 0.00 H new ATOM 0 HA TYR A 138 0.243 5.972 3.141 1.00 0.00 H new ATOM 0 HB2 TYR A 138 0.666 8.641 4.583 1.00 0.00 H new ATOM 0 HB3 TYR A 138 1.321 8.215 3.015 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -0.266 7.726 1.094 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -1.627 9.360 4.824 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -2.376 8.450 0.005 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -3.739 10.083 3.737 1.00 0.00 H new ATOM 0 HH TYR A 138 -4.940 10.156 1.855 1.00 0.00 H new ATOM 930 N GLU A 139 1.950 6.596 5.924 1.00 0.00 N ATOM 931 CA GLU A 139 3.165 6.217 6.649 1.00 0.00 C ATOM 932 C GLU A 139 3.160 4.736 6.987 1.00 0.00 C ATOM 933 O GLU A 139 3.998 3.987 6.459 1.00 0.00 O ATOM 934 CB GLU A 139 3.297 7.053 7.917 1.00 0.00 C ATOM 935 CG GLU A 139 3.426 8.538 7.530 1.00 0.00 C ATOM 936 CD GLU A 139 2.041 9.146 7.297 1.00 0.00 C ATOM 937 OE1 GLU A 139 1.071 8.410 7.354 1.00 0.00 O ATOM 938 OE2 GLU A 139 1.976 10.339 7.072 1.00 0.00 O ATOM 0 H GLU A 139 1.359 7.269 6.412 1.00 0.00 H new ATOM 0 HA GLU A 139 4.023 6.410 6.006 1.00 0.00 H new ATOM 0 HB2 GLU A 139 2.427 6.905 8.557 1.00 0.00 H new ATOM 0 HB3 GLU A 139 4.170 6.736 8.487 1.00 0.00 H new ATOM 0 HG2 GLU A 139 3.942 9.084 8.320 1.00 0.00 H new ATOM 0 HG3 GLU A 139 4.030 8.635 6.628 1.00 0.00 H new ATOM 945 N GLU A 140 2.217 4.329 7.858 1.00 0.00 N ATOM 946 CA GLU A 140 2.086 2.919 8.260 1.00 0.00 C ATOM 947 C GLU A 140 2.486 2.014 7.092 1.00 0.00 C ATOM 948 O GLU A 140 2.979 0.902 7.283 1.00 0.00 O ATOM 949 CB GLU A 140 0.627 2.623 8.625 1.00 0.00 C ATOM 950 CG GLU A 140 0.238 3.337 9.921 1.00 0.00 C ATOM 951 CD GLU A 140 -1.240 3.115 10.217 1.00 0.00 C ATOM 952 OE1 GLU A 140 -1.857 2.338 9.499 1.00 0.00 O ATOM 953 OE2 GLU A 140 -1.735 3.726 11.157 1.00 0.00 O ATOM 0 H GLU A 140 1.539 4.954 8.294 1.00 0.00 H new ATOM 0 HA GLU A 140 2.732 2.732 9.118 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -0.028 2.945 7.816 1.00 0.00 H new ATOM 0 HB3 GLU A 140 0.487 1.548 8.740 1.00 0.00 H new ATOM 0 HG2 GLU A 140 0.843 2.963 10.747 1.00 0.00 H new ATOM 0 HG3 GLU A 140 0.443 4.404 9.833 1.00 0.00 H new ATOM 960 N PHE A 141 2.291 2.524 5.870 1.00 0.00 N ATOM 961 CA PHE A 141 2.654 1.788 4.671 1.00 0.00 C ATOM 962 C PHE A 141 4.097 2.079 4.271 1.00 0.00 C ATOM 963 O PHE A 141 4.897 1.155 4.127 1.00 0.00 O ATOM 964 CB PHE A 141 1.707 2.183 3.524 1.00 0.00 C ATOM 965 CG PHE A 141 1.582 1.036 2.542 1.00 0.00 C ATOM 966 CD1 PHE A 141 2.708 0.577 1.851 1.00 0.00 C ATOM 967 CD2 PHE A 141 0.343 0.430 2.330 1.00 0.00 C ATOM 968 CE1 PHE A 141 2.593 -0.485 0.950 1.00 0.00 C ATOM 969 CE2 PHE A 141 0.226 -0.629 1.433 1.00 0.00 C ATOM 970 CZ PHE A 141 1.349 -1.090 0.741 1.00 0.00 C ATOM 0 H PHE A 141 1.884 3.443 5.694 1.00 0.00 H new ATOM 0 HA PHE A 141 2.564 0.721 4.875 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.726 2.441 3.923 1.00 0.00 H new ATOM 0 HB3 PHE A 141 2.087 3.069 3.016 1.00 0.00 H new ATOM 0 HD1 PHE A 141 3.668 1.044 2.014 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -0.527 0.783 2.863 1.00 0.00 H new ATOM 0 HE1 PHE A 141 3.463 -0.838 0.416 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -0.735 -1.095 1.272 1.00 0.00 H new ATOM 0 HZ PHE A 141 1.257 -1.912 0.046 1.00 0.00 H new ATOM 980 N VAL A 142 4.417 3.364 4.061 1.00 0.00 N ATOM 981 CA VAL A 142 5.766 3.759 3.645 1.00 0.00 C ATOM 982 C VAL A 142 6.814 2.829 4.248 1.00 0.00 C ATOM 983 O VAL A 142 7.556 2.162 3.524 1.00 0.00 O ATOM 984 CB VAL A 142 6.040 5.200 4.093 1.00 0.00 C ATOM 985 CG1 VAL A 142 7.526 5.534 3.924 1.00 0.00 C ATOM 986 CG2 VAL A 142 5.202 6.175 3.241 1.00 0.00 C ATOM 0 H VAL A 142 3.765 4.140 4.172 1.00 0.00 H new ATOM 0 HA VAL A 142 5.827 3.691 2.559 1.00 0.00 H new ATOM 0 HB VAL A 142 5.767 5.298 5.144 1.00 0.00 H new ATOM 0 HG11 VAL A 142 7.707 6.560 4.245 1.00 0.00 H new ATOM 0 HG12 VAL A 142 8.123 4.853 4.530 1.00 0.00 H new ATOM 0 HG13 VAL A 142 7.806 5.427 2.876 1.00 0.00 H new ATOM 0 HG21 VAL A 142 5.398 7.198 3.561 1.00 0.00 H new ATOM 0 HG22 VAL A 142 5.472 6.065 2.191 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.143 5.952 3.369 1.00 0.00 H new ATOM 996 N GLN A 143 6.863 2.789 5.581 1.00 0.00 N ATOM 997 CA GLN A 143 7.833 1.936 6.265 1.00 0.00 C ATOM 998 C GLN A 143 7.907 0.559 5.599 1.00 0.00 C ATOM 999 O GLN A 143 8.900 0.235 4.948 1.00 0.00 O ATOM 1000 CB GLN A 143 7.418 1.778 7.736 1.00 0.00 C ATOM 1001 CG GLN A 143 8.461 0.942 8.489 1.00 0.00 C ATOM 1002 CD GLN A 143 8.062 0.794 9.958 1.00 0.00 C ATOM 1003 OE1 GLN A 143 6.901 0.510 10.263 1.00 0.00 O ATOM 1004 NE2 GLN A 143 8.963 0.963 10.889 1.00 0.00 N ATOM 0 H GLN A 143 6.254 3.327 6.198 1.00 0.00 H new ATOM 0 HA GLN A 143 8.817 2.401 6.204 1.00 0.00 H new ATOM 0 HB2 GLN A 143 7.320 2.758 8.202 1.00 0.00 H new ATOM 0 HB3 GLN A 143 6.442 1.297 7.797 1.00 0.00 H new ATOM 0 HG2 GLN A 143 8.550 -0.042 8.028 1.00 0.00 H new ATOM 0 HG3 GLN A 143 9.439 1.417 8.417 1.00 0.00 H new ATOM 0 HE21 GLN A 143 9.922 1.198 10.634 1.00 0.00 H new ATOM 0 HE22 GLN A 143 8.707 0.860 11.871 1.00 0.00 H new ATOM 1013 N MET A 144 6.853 -0.235 5.752 1.00 0.00 N ATOM 1014 CA MET A 144 6.824 -1.575 5.163 1.00 0.00 C ATOM 1015 C MET A 144 7.399 -1.532 3.742 1.00 0.00 C ATOM 1016 O MET A 144 8.273 -2.323 3.393 1.00 0.00 O ATOM 1017 CB MET A 144 5.381 -2.088 5.128 1.00 0.00 C ATOM 1018 CG MET A 144 5.378 -3.606 4.949 1.00 0.00 C ATOM 1019 SD MET A 144 5.939 -4.396 6.480 1.00 0.00 S ATOM 1020 CE MET A 144 4.752 -5.760 6.494 1.00 0.00 C ATOM 0 H MET A 144 6.014 0.019 6.273 1.00 0.00 H new ATOM 0 HA MET A 144 7.430 -2.249 5.769 1.00 0.00 H new ATOM 0 HB2 MET A 144 4.867 -1.820 6.051 1.00 0.00 H new ATOM 0 HB3 MET A 144 4.836 -1.615 4.311 1.00 0.00 H new ATOM 0 HG2 MET A 144 4.376 -3.951 4.695 1.00 0.00 H new ATOM 0 HG3 MET A 144 6.030 -3.887 4.122 1.00 0.00 H new ATOM 0 HE1 MET A 144 5.204 -6.631 6.969 1.00 0.00 H new ATOM 0 HE2 MET A 144 3.863 -5.463 7.051 1.00 0.00 H new ATOM 0 HE3 MET A 144 4.472 -6.010 5.470 1.00 0.00 H new ATOM 1030 N MET A 145 6.903 -0.599 2.930 1.00 0.00 N ATOM 1031 CA MET A 145 7.377 -0.460 1.552 1.00 0.00 C ATOM 1032 C MET A 145 8.856 -0.087 1.529 1.00 0.00 C ATOM 1033 O MET A 145 9.346 0.591 2.431 1.00 0.00 O ATOM 1034 CB MET A 145 6.561 0.613 0.832 1.00 0.00 C ATOM 1035 CG MET A 145 7.039 0.748 -0.615 1.00 0.00 C ATOM 1036 SD MET A 145 5.901 1.820 -1.530 1.00 0.00 S ATOM 1037 CE MET A 145 6.411 3.391 -0.788 1.00 0.00 C ATOM 0 H MET A 145 6.179 0.067 3.199 1.00 0.00 H new ATOM 0 HA MET A 145 7.252 -1.415 1.042 1.00 0.00 H new ATOM 0 HB2 MET A 145 5.503 0.352 0.852 1.00 0.00 H new ATOM 0 HB3 MET A 145 6.663 1.567 1.348 1.00 0.00 H new ATOM 0 HG2 MET A 145 8.046 1.164 -0.639 1.00 0.00 H new ATOM 0 HG3 MET A 145 7.088 -0.234 -1.086 1.00 0.00 H new ATOM 0 HE1 MET A 145 6.061 4.217 -1.408 1.00 0.00 H new ATOM 0 HE2 MET A 145 5.981 3.479 0.210 1.00 0.00 H new ATOM 0 HE3 MET A 145 7.498 3.425 -0.719 1.00 0.00 H new