USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 479 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 141 SER OG : rot 28:sc= -2.05! USER MOD Set 1.2: A 157 MET CE :methyl 137:sc= -1.11 (180deg=-2.89!) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0.0098) USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 ASN : amide:sc= -2.29 K(o=-2.3,f=-5.3!) USER MOD Single : A 125 THR OG1 : rot -94:sc= 0.628 USER MOD Single : A 128 HIS :FLIP no HD1:sc= -0.976 F(o=-2.1,f=-0.98) USER MOD Single : A 138 MET CE :methyl 177:sc= -2.81 (180deg=-2.86) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0168) USER MOD Single : A 144 ASN : amide:sc= -2.95! C(o=-3!,f=-5.6!) USER MOD Single : A 145 ASN : amide:sc= -2.14! C(o=-2.1!,f=-8.4!) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 MET CE :methyl -171:sc= -9.12! (180deg=-11!) USER MOD ----------------------------------------------------------------- ATOM 115 N GLU A 96 58.604 14.735 4.676 1.00 0.00 N ATOM 116 CA GLU A 96 57.344 14.860 5.463 1.00 0.00 C ATOM 117 C GLU A 96 56.271 13.923 4.901 1.00 0.00 C ATOM 118 O GLU A 96 55.645 13.175 5.626 1.00 0.00 O ATOM 119 CB GLU A 96 56.919 16.319 5.300 1.00 0.00 C ATOM 120 CG GLU A 96 56.150 16.771 6.543 1.00 0.00 C ATOM 121 CD GLU A 96 56.541 18.208 6.891 1.00 0.00 C ATOM 122 OE1 GLU A 96 57.610 18.393 7.449 1.00 0.00 O ATOM 123 OE2 GLU A 96 55.763 19.100 6.594 1.00 0.00 O ATOM 0 HA GLU A 96 57.484 14.589 6.510 1.00 0.00 H new ATOM 0 HB2 GLU A 96 57.796 16.950 5.153 1.00 0.00 H new ATOM 0 HB3 GLU A 96 56.295 16.430 4.413 1.00 0.00 H new ATOM 0 HG2 GLU A 96 55.077 16.709 6.362 1.00 0.00 H new ATOM 0 HG3 GLU A 96 56.371 16.110 7.381 1.00 0.00 H new ATOM 130 N GLU A 97 56.051 13.959 3.615 1.00 0.00 N ATOM 131 CA GLU A 97 55.015 13.071 3.012 1.00 0.00 C ATOM 132 C GLU A 97 55.453 11.606 3.103 1.00 0.00 C ATOM 133 O GLU A 97 54.730 10.762 3.593 1.00 0.00 O ATOM 134 CB GLU A 97 54.913 13.513 1.552 1.00 0.00 C ATOM 135 CG GLU A 97 54.219 14.874 1.481 1.00 0.00 C ATOM 136 CD GLU A 97 52.761 14.679 1.064 1.00 0.00 C ATOM 137 OE1 GLU A 97 52.307 13.546 1.077 1.00 0.00 O ATOM 138 OE2 GLU A 97 52.119 15.666 0.741 1.00 0.00 O ATOM 0 H GLU A 97 56.542 14.563 2.956 1.00 0.00 H new ATOM 0 HA GLU A 97 54.057 13.147 3.527 1.00 0.00 H new ATOM 0 HB2 GLU A 97 55.907 13.576 1.109 1.00 0.00 H new ATOM 0 HB3 GLU A 97 54.353 12.776 0.976 1.00 0.00 H new ATOM 0 HG2 GLU A 97 54.268 15.371 2.450 1.00 0.00 H new ATOM 0 HG3 GLU A 97 54.730 15.518 0.766 1.00 0.00 H new ATOM 145 N LEU A 98 56.631 11.296 2.633 1.00 0.00 N ATOM 146 CA LEU A 98 57.109 9.884 2.695 1.00 0.00 C ATOM 147 C LEU A 98 56.981 9.348 4.122 1.00 0.00 C ATOM 148 O LEU A 98 56.386 8.315 4.357 1.00 0.00 O ATOM 149 CB LEU A 98 58.576 9.940 2.270 1.00 0.00 C ATOM 150 CG LEU A 98 58.705 9.473 0.819 1.00 0.00 C ATOM 151 CD1 LEU A 98 59.132 10.649 -0.061 1.00 0.00 C ATOM 152 CD2 LEU A 98 59.757 8.365 0.733 1.00 0.00 C ATOM 0 H LEU A 98 57.282 11.957 2.210 1.00 0.00 H new ATOM 0 HA LEU A 98 56.527 9.222 2.053 1.00 0.00 H new ATOM 0 HB2 LEU A 98 58.956 10.956 2.371 1.00 0.00 H new ATOM 0 HB3 LEU A 98 59.179 9.308 2.922 1.00 0.00 H new ATOM 0 HG LEU A 98 57.744 9.092 0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 98 59.224 10.315 -1.095 1.00 0.00 H new ATOM 0 HD12 LEU A 98 58.384 11.440 0.000 1.00 0.00 H new ATOM 0 HD13 LEU A 98 60.093 11.031 0.284 1.00 0.00 H new ATOM 0 HD21 LEU A 98 59.850 8.031 -0.300 1.00 0.00 H new ATOM 0 HD22 LEU A 98 60.717 8.747 1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 98 59.454 7.526 1.359 1.00 0.00 H new ATOM 164 N ALA A 99 57.533 10.043 5.079 1.00 0.00 N ATOM 165 CA ALA A 99 57.440 9.573 6.490 1.00 0.00 C ATOM 166 C ALA A 99 55.982 9.268 6.844 1.00 0.00 C ATOM 167 O ALA A 99 55.690 8.333 7.564 1.00 0.00 O ATOM 168 CB ALA A 99 57.965 10.737 7.331 1.00 0.00 C ATOM 0 H ALA A 99 58.044 10.915 4.945 1.00 0.00 H new ATOM 0 HA ALA A 99 58.009 8.659 6.662 1.00 0.00 H new ATOM 0 HB1 ALA A 99 57.929 10.468 8.387 1.00 0.00 H new ATOM 0 HB2 ALA A 99 58.994 10.956 7.047 1.00 0.00 H new ATOM 0 HB3 ALA A 99 57.346 11.618 7.159 1.00 0.00 H new ATOM 174 N ASN A 100 55.066 10.049 6.342 1.00 0.00 N ATOM 175 CA ASN A 100 53.627 9.806 6.646 1.00 0.00 C ATOM 176 C ASN A 100 53.102 8.633 5.815 1.00 0.00 C ATOM 177 O ASN A 100 52.429 7.754 6.318 1.00 0.00 O ATOM 178 CB ASN A 100 52.914 11.103 6.256 1.00 0.00 C ATOM 179 CG ASN A 100 52.726 11.976 7.498 1.00 0.00 C ATOM 180 OD1 ASN A 100 53.672 12.554 7.998 1.00 0.00 O ATOM 181 ND2 ASN A 100 51.537 12.100 8.021 1.00 0.00 N ATOM 0 H ASN A 100 55.252 10.846 5.733 1.00 0.00 H new ATOM 0 HA ASN A 100 53.463 9.551 7.693 1.00 0.00 H new ATOM 0 HB2 ASN A 100 53.496 11.639 5.506 1.00 0.00 H new ATOM 0 HB3 ASN A 100 51.947 10.878 5.807 1.00 0.00 H new ATOM 0 HD21 ASN A 100 51.402 12.681 8.848 1.00 0.00 H new ATOM 0 HD22 ASN A 100 50.743 11.616 7.603 1.00 0.00 H new ATOM 188 N CYS A 101 53.403 8.610 4.545 1.00 0.00 N ATOM 189 CA CYS A 101 52.922 7.492 3.683 1.00 0.00 C ATOM 190 C CYS A 101 53.227 6.146 4.348 1.00 0.00 C ATOM 191 O CYS A 101 52.547 5.164 4.127 1.00 0.00 O ATOM 192 CB CYS A 101 53.705 7.637 2.377 1.00 0.00 C ATOM 193 SG CYS A 101 52.556 7.970 1.019 1.00 0.00 S ATOM 0 H CYS A 101 53.961 9.317 4.067 1.00 0.00 H new ATOM 0 HA CYS A 101 51.845 7.528 3.518 1.00 0.00 H new ATOM 0 HB2 CYS A 101 54.429 8.448 2.462 1.00 0.00 H new ATOM 0 HB3 CYS A 101 54.269 6.726 2.175 1.00 0.00 H new ATOM 0 HG CYS A 101 53.221 8.096 -0.091 1.00 0.00 H new ATOM 199 N PHE A 102 54.245 6.098 5.160 1.00 0.00 N ATOM 200 CA PHE A 102 54.600 4.820 5.844 1.00 0.00 C ATOM 201 C PHE A 102 53.336 4.110 6.340 1.00 0.00 C ATOM 202 O PHE A 102 53.081 2.969 6.008 1.00 0.00 O ATOM 203 CB PHE A 102 55.470 5.244 7.027 1.00 0.00 C ATOM 204 CG PHE A 102 56.509 4.182 7.302 1.00 0.00 C ATOM 205 CD1 PHE A 102 57.441 3.841 6.316 1.00 0.00 C ATOM 206 CD2 PHE A 102 56.538 3.542 8.546 1.00 0.00 C ATOM 207 CE1 PHE A 102 58.404 2.858 6.574 1.00 0.00 C ATOM 208 CE2 PHE A 102 57.500 2.558 8.804 1.00 0.00 C ATOM 209 CZ PHE A 102 58.434 2.216 7.819 1.00 0.00 C ATOM 0 H PHE A 102 54.849 6.890 5.381 1.00 0.00 H new ATOM 0 HA PHE A 102 55.113 4.124 5.180 1.00 0.00 H new ATOM 0 HB2 PHE A 102 55.957 6.195 6.810 1.00 0.00 H new ATOM 0 HB3 PHE A 102 54.850 5.397 7.910 1.00 0.00 H new ATOM 0 HD1 PHE A 102 57.418 4.336 5.356 1.00 0.00 H new ATOM 0 HD2 PHE A 102 55.819 3.807 9.307 1.00 0.00 H new ATOM 0 HE1 PHE A 102 59.124 2.595 5.813 1.00 0.00 H new ATOM 0 HE2 PHE A 102 57.521 2.063 9.763 1.00 0.00 H new ATOM 0 HZ PHE A 102 59.177 1.458 8.019 1.00 0.00 H new ATOM 219 N ARG A 103 52.550 4.775 7.141 1.00 0.00 N ATOM 220 CA ARG A 103 51.307 4.141 7.671 1.00 0.00 C ATOM 221 C ARG A 103 50.403 3.667 6.529 1.00 0.00 C ATOM 222 O ARG A 103 49.723 2.666 6.642 1.00 0.00 O ATOM 223 CB ARG A 103 50.618 5.243 8.476 1.00 0.00 C ATOM 224 CG ARG A 103 51.378 5.469 9.785 1.00 0.00 C ATOM 225 CD ARG A 103 50.389 5.496 10.953 1.00 0.00 C ATOM 226 NE ARG A 103 51.079 6.274 12.020 1.00 0.00 N ATOM 227 CZ ARG A 103 50.518 6.418 13.189 1.00 0.00 C ATOM 228 NH1 ARG A 103 49.245 6.171 13.338 1.00 0.00 N ATOM 229 NH2 ARG A 103 51.230 6.811 14.210 1.00 0.00 N ATOM 0 H ARG A 103 52.714 5.732 7.453 1.00 0.00 H new ATOM 0 HA ARG A 103 51.526 3.261 8.275 1.00 0.00 H new ATOM 0 HB2 ARG A 103 50.587 6.166 7.897 1.00 0.00 H new ATOM 0 HB3 ARG A 103 49.586 4.964 8.686 1.00 0.00 H new ATOM 0 HG2 ARG A 103 52.111 4.676 9.934 1.00 0.00 H new ATOM 0 HG3 ARG A 103 51.929 6.408 9.740 1.00 0.00 H new ATOM 0 HD2 ARG A 103 49.450 5.968 10.665 1.00 0.00 H new ATOM 0 HD3 ARG A 103 50.149 4.488 11.291 1.00 0.00 H new ATOM 0 HE ARG A 103 51.990 6.694 11.836 1.00 0.00 H new ATOM 0 HH11 ARG A 103 48.688 5.865 12.540 1.00 0.00 H new ATOM 0 HH12 ARG A 103 48.807 6.284 14.252 1.00 0.00 H new ATOM 0 HH21 ARG A 103 52.225 7.005 14.094 1.00 0.00 H new ATOM 0 HH22 ARG A 103 50.792 6.924 15.124 1.00 0.00 H new ATOM 243 N ILE A 104 50.381 4.373 5.432 1.00 0.00 N ATOM 244 CA ILE A 104 49.511 3.954 4.297 1.00 0.00 C ATOM 245 C ILE A 104 50.034 2.657 3.676 1.00 0.00 C ATOM 246 O ILE A 104 49.349 1.654 3.641 1.00 0.00 O ATOM 247 CB ILE A 104 49.592 5.100 3.292 1.00 0.00 C ATOM 248 CG1 ILE A 104 49.140 6.398 3.963 1.00 0.00 C ATOM 249 CG2 ILE A 104 48.679 4.799 2.104 1.00 0.00 C ATOM 250 CD1 ILE A 104 47.734 6.211 4.538 1.00 0.00 C ATOM 0 H ILE A 104 50.927 5.220 5.273 1.00 0.00 H new ATOM 0 HA ILE A 104 48.486 3.761 4.614 1.00 0.00 H new ATOM 0 HB ILE A 104 50.620 5.208 2.945 1.00 0.00 H new ATOM 0 HG12 ILE A 104 49.836 6.671 4.756 1.00 0.00 H new ATOM 0 HG13 ILE A 104 49.144 7.214 3.240 1.00 0.00 H new ATOM 0 HG21 ILE A 104 48.736 5.617 1.385 1.00 0.00 H new ATOM 0 HG22 ILE A 104 48.998 3.873 1.626 1.00 0.00 H new ATOM 0 HG23 ILE A 104 47.652 4.693 2.452 1.00 0.00 H new ATOM 0 HD11 ILE A 104 47.411 7.135 5.017 1.00 0.00 H new ATOM 0 HD12 ILE A 104 47.043 5.958 3.734 1.00 0.00 H new ATOM 0 HD13 ILE A 104 47.746 5.407 5.273 1.00 0.00 H new ATOM 262 N PHE A 105 51.242 2.668 3.186 1.00 0.00 N ATOM 263 CA PHE A 105 51.803 1.432 2.567 1.00 0.00 C ATOM 264 C PHE A 105 51.896 0.316 3.611 1.00 0.00 C ATOM 265 O PHE A 105 51.646 -0.838 3.324 1.00 0.00 O ATOM 266 CB PHE A 105 53.198 1.827 2.081 1.00 0.00 C ATOM 267 CG PHE A 105 53.139 2.177 0.613 1.00 0.00 C ATOM 268 CD1 PHE A 105 52.329 3.232 0.176 1.00 0.00 C ATOM 269 CD2 PHE A 105 53.896 1.446 -0.310 1.00 0.00 C ATOM 270 CE1 PHE A 105 52.275 3.555 -1.185 1.00 0.00 C ATOM 271 CE2 PHE A 105 53.843 1.769 -1.671 1.00 0.00 C ATOM 272 CZ PHE A 105 53.032 2.823 -2.109 1.00 0.00 C ATOM 0 H PHE A 105 51.865 3.476 3.187 1.00 0.00 H new ATOM 0 HA PHE A 105 51.180 1.059 1.754 1.00 0.00 H new ATOM 0 HB2 PHE A 105 53.567 2.678 2.654 1.00 0.00 H new ATOM 0 HB3 PHE A 105 53.897 1.006 2.242 1.00 0.00 H new ATOM 0 HD1 PHE A 105 51.746 3.796 0.889 1.00 0.00 H new ATOM 0 HD2 PHE A 105 54.521 0.633 0.028 1.00 0.00 H new ATOM 0 HE1 PHE A 105 51.650 4.368 -1.523 1.00 0.00 H new ATOM 0 HE2 PHE A 105 54.428 1.205 -2.383 1.00 0.00 H new ATOM 0 HZ PHE A 105 52.990 3.072 -3.159 1.00 0.00 H new ATOM 282 N ASP A 106 52.253 0.652 4.820 1.00 0.00 N ATOM 283 CA ASP A 106 52.362 -0.389 5.881 1.00 0.00 C ATOM 284 C ASP A 106 50.998 -0.623 6.535 1.00 0.00 C ATOM 285 O ASP A 106 50.818 -0.402 7.716 1.00 0.00 O ATOM 286 CB ASP A 106 53.352 0.186 6.896 1.00 0.00 C ATOM 287 CG ASP A 106 53.490 -0.776 8.076 1.00 0.00 C ATOM 288 OD1 ASP A 106 52.961 -1.873 7.989 1.00 0.00 O ATOM 289 OD2 ASP A 106 54.124 -0.401 9.049 1.00 0.00 O ATOM 0 H ASP A 106 52.474 1.602 5.119 1.00 0.00 H new ATOM 0 HA ASP A 106 52.693 -1.350 5.486 1.00 0.00 H new ATOM 0 HB2 ASP A 106 54.323 0.342 6.425 1.00 0.00 H new ATOM 0 HB3 ASP A 106 53.007 1.159 7.245 1.00 0.00 H new ATOM 294 N LYS A 107 50.034 -1.071 5.777 1.00 0.00 N ATOM 295 CA LYS A 107 48.684 -1.319 6.358 1.00 0.00 C ATOM 296 C LYS A 107 48.807 -2.120 7.657 1.00 0.00 C ATOM 297 O LYS A 107 48.056 -1.923 8.592 1.00 0.00 O ATOM 298 CB LYS A 107 47.938 -2.130 5.297 1.00 0.00 C ATOM 299 CG LYS A 107 46.729 -1.333 4.802 1.00 0.00 C ATOM 300 CD LYS A 107 46.522 -1.596 3.309 1.00 0.00 C ATOM 301 CE LYS A 107 47.079 -0.421 2.501 1.00 0.00 C ATOM 302 NZ LYS A 107 47.386 -0.991 1.160 1.00 0.00 N ATOM 0 H LYS A 107 50.123 -1.276 4.782 1.00 0.00 H new ATOM 0 HA LYS A 107 48.164 -0.393 6.603 1.00 0.00 H new ATOM 0 HB2 LYS A 107 48.603 -2.357 4.464 1.00 0.00 H new ATOM 0 HB3 LYS A 107 47.613 -3.083 5.714 1.00 0.00 H new ATOM 0 HG2 LYS A 107 45.838 -1.620 5.360 1.00 0.00 H new ATOM 0 HG3 LYS A 107 46.885 -0.268 4.977 1.00 0.00 H new ATOM 0 HD2 LYS A 107 47.022 -2.520 3.019 1.00 0.00 H new ATOM 0 HD3 LYS A 107 45.461 -1.727 3.096 1.00 0.00 H new ATOM 0 HE2 LYS A 107 46.353 0.389 2.429 1.00 0.00 H new ATOM 0 HE3 LYS A 107 47.973 -0.008 2.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 47.773 -0.246 0.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 48.084 -1.755 1.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 46.515 -1.371 0.737 1.00 0.00 H new ATOM 316 N ASN A 108 49.749 -3.021 7.721 1.00 0.00 N ATOM 317 CA ASN A 108 49.921 -3.835 8.960 1.00 0.00 C ATOM 318 C ASN A 108 50.105 -2.918 10.171 1.00 0.00 C ATOM 319 O ASN A 108 49.884 -3.311 11.300 1.00 0.00 O ATOM 320 CB ASN A 108 51.185 -4.662 8.719 1.00 0.00 C ATOM 321 CG ASN A 108 50.906 -6.129 9.048 1.00 0.00 C ATOM 322 OD1 ASN A 108 49.833 -6.467 9.505 1.00 0.00 O ATOM 323 ND2 ASN A 108 51.834 -7.020 8.832 1.00 0.00 N ATOM 0 H ASN A 108 50.407 -3.229 6.970 1.00 0.00 H new ATOM 0 HA ASN A 108 49.055 -4.464 9.165 1.00 0.00 H new ATOM 0 HB2 ASN A 108 51.503 -4.565 7.681 1.00 0.00 H new ATOM 0 HB3 ASN A 108 52.000 -4.288 9.338 1.00 0.00 H new ATOM 0 HD21 ASN A 108 51.659 -8.002 9.047 1.00 0.00 H new ATOM 0 HD22 ASN A 108 52.735 -6.735 8.448 1.00 0.00 H new ATOM 330 N ALA A 109 50.508 -1.697 9.947 1.00 0.00 N ATOM 331 CA ALA A 109 50.705 -0.755 11.085 1.00 0.00 C ATOM 332 C ALA A 109 51.624 -1.383 12.136 1.00 0.00 C ATOM 333 O ALA A 109 51.339 -1.359 13.317 1.00 0.00 O ATOM 334 CB ALA A 109 49.307 -0.532 11.661 1.00 0.00 C ATOM 0 H ALA A 109 50.709 -1.311 9.025 1.00 0.00 H new ATOM 0 HA ALA A 109 51.171 0.180 10.772 1.00 0.00 H new ATOM 0 HB1 ALA A 109 49.367 0.153 12.507 1.00 0.00 H new ATOM 0 HB2 ALA A 109 48.661 -0.106 10.894 1.00 0.00 H new ATOM 0 HB3 ALA A 109 48.895 -1.484 11.994 1.00 0.00 H new ATOM 340 N ASP A 110 52.724 -1.946 11.717 1.00 0.00 N ATOM 341 CA ASP A 110 53.658 -2.576 12.692 1.00 0.00 C ATOM 342 C ASP A 110 54.910 -1.710 12.861 1.00 0.00 C ATOM 343 O ASP A 110 55.684 -1.895 13.779 1.00 0.00 O ATOM 344 CB ASP A 110 54.021 -3.928 12.079 1.00 0.00 C ATOM 345 CG ASP A 110 52.742 -4.699 11.747 1.00 0.00 C ATOM 346 OD1 ASP A 110 51.729 -4.423 12.367 1.00 0.00 O ATOM 347 OD2 ASP A 110 52.798 -5.552 10.877 1.00 0.00 O ATOM 0 H ASP A 110 53.016 -1.997 10.741 1.00 0.00 H new ATOM 0 HA ASP A 110 53.211 -2.684 13.680 1.00 0.00 H new ATOM 0 HB2 ASP A 110 54.615 -3.782 11.177 1.00 0.00 H new ATOM 0 HB3 ASP A 110 54.634 -4.502 12.774 1.00 0.00 H new ATOM 352 N GLY A 111 55.114 -0.767 11.984 1.00 0.00 N ATOM 353 CA GLY A 111 56.316 0.108 12.097 1.00 0.00 C ATOM 354 C GLY A 111 57.415 -0.405 11.165 1.00 0.00 C ATOM 355 O GLY A 111 58.474 0.181 11.058 1.00 0.00 O ATOM 0 H GLY A 111 54.501 -0.564 11.194 1.00 0.00 H new ATOM 0 HA2 GLY A 111 56.056 1.135 11.839 1.00 0.00 H new ATOM 0 HA3 GLY A 111 56.674 0.119 13.126 1.00 0.00 H new ATOM 359 N PHE A 112 57.176 -1.495 10.487 1.00 0.00 N ATOM 360 CA PHE A 112 58.213 -2.037 9.562 1.00 0.00 C ATOM 361 C PHE A 112 57.551 -2.786 8.404 1.00 0.00 C ATOM 362 O PHE A 112 56.846 -3.757 8.601 1.00 0.00 O ATOM 363 CB PHE A 112 59.045 -2.999 10.413 1.00 0.00 C ATOM 364 CG PHE A 112 59.569 -2.275 11.630 1.00 0.00 C ATOM 365 CD1 PHE A 112 58.801 -2.220 12.799 1.00 0.00 C ATOM 366 CD2 PHE A 112 60.826 -1.661 11.589 1.00 0.00 C ATOM 367 CE1 PHE A 112 59.291 -1.549 13.927 1.00 0.00 C ATOM 368 CE2 PHE A 112 61.315 -0.991 12.716 1.00 0.00 C ATOM 369 CZ PHE A 112 60.548 -0.935 13.885 1.00 0.00 C ATOM 0 H PHE A 112 56.310 -2.032 10.533 1.00 0.00 H new ATOM 0 HA PHE A 112 58.824 -1.248 9.124 1.00 0.00 H new ATOM 0 HB2 PHE A 112 58.436 -3.850 10.718 1.00 0.00 H new ATOM 0 HB3 PHE A 112 59.875 -3.394 9.827 1.00 0.00 H new ATOM 0 HD1 PHE A 112 57.831 -2.695 12.831 1.00 0.00 H new ATOM 0 HD2 PHE A 112 61.419 -1.704 10.687 1.00 0.00 H new ATOM 0 HE1 PHE A 112 58.699 -1.506 14.829 1.00 0.00 H new ATOM 0 HE2 PHE A 112 62.285 -0.517 12.684 1.00 0.00 H new ATOM 0 HZ PHE A 112 60.926 -0.418 14.755 1.00 0.00 H new ATOM 379 N ILE A 113 57.773 -2.343 7.199 1.00 0.00 N ATOM 380 CA ILE A 113 57.159 -3.029 6.027 1.00 0.00 C ATOM 381 C ILE A 113 58.018 -4.223 5.607 1.00 0.00 C ATOM 382 O ILE A 113 59.151 -4.071 5.195 1.00 0.00 O ATOM 383 CB ILE A 113 57.133 -1.973 4.922 1.00 0.00 C ATOM 384 CG1 ILE A 113 56.226 -0.816 5.345 1.00 0.00 C ATOM 385 CG2 ILE A 113 56.595 -2.596 3.632 1.00 0.00 C ATOM 386 CD1 ILE A 113 56.757 0.491 4.750 1.00 0.00 C ATOM 0 H ILE A 113 58.353 -1.535 6.974 1.00 0.00 H new ATOM 0 HA ILE A 113 56.163 -3.415 6.247 1.00 0.00 H new ATOM 0 HB ILE A 113 58.143 -1.601 4.752 1.00 0.00 H new ATOM 0 HG12 ILE A 113 55.206 -0.996 5.004 1.00 0.00 H new ATOM 0 HG13 ILE A 113 56.191 -0.746 6.432 1.00 0.00 H new ATOM 0 HG21 ILE A 113 56.577 -1.843 2.844 1.00 0.00 H new ATOM 0 HG22 ILE A 113 57.240 -3.421 3.330 1.00 0.00 H new ATOM 0 HG23 ILE A 113 55.585 -2.968 3.802 1.00 0.00 H new ATOM 0 HD11 ILE A 113 56.112 1.316 5.051 1.00 0.00 H new ATOM 0 HD12 ILE A 113 57.769 0.671 5.113 1.00 0.00 H new ATOM 0 HD13 ILE A 113 56.769 0.417 3.663 1.00 0.00 H new ATOM 398 N ASP A 114 57.489 -5.411 5.702 1.00 0.00 N ATOM 399 CA ASP A 114 58.280 -6.611 5.303 1.00 0.00 C ATOM 400 C ASP A 114 58.008 -6.956 3.838 1.00 0.00 C ATOM 401 O ASP A 114 57.178 -6.348 3.192 1.00 0.00 O ATOM 402 CB ASP A 114 57.796 -7.739 6.217 1.00 0.00 C ATOM 403 CG ASP A 114 56.269 -7.815 6.175 1.00 0.00 C ATOM 404 OD1 ASP A 114 55.713 -7.588 5.114 1.00 0.00 O ATOM 405 OD2 ASP A 114 55.682 -8.098 7.207 1.00 0.00 O ATOM 0 H ASP A 114 56.545 -5.604 6.038 1.00 0.00 H new ATOM 0 HA ASP A 114 59.353 -6.445 5.401 1.00 0.00 H new ATOM 0 HB2 ASP A 114 58.226 -8.689 5.898 1.00 0.00 H new ATOM 0 HB3 ASP A 114 58.133 -7.563 7.238 1.00 0.00 H new ATOM 410 N ILE A 115 58.698 -7.927 3.310 1.00 0.00 N ATOM 411 CA ILE A 115 58.474 -8.307 1.886 1.00 0.00 C ATOM 412 C ILE A 115 57.002 -8.671 1.669 1.00 0.00 C ATOM 413 O ILE A 115 56.396 -8.285 0.689 1.00 0.00 O ATOM 414 CB ILE A 115 59.370 -9.523 1.651 1.00 0.00 C ATOM 415 CG1 ILE A 115 59.241 -9.974 0.194 1.00 0.00 C ATOM 416 CG2 ILE A 115 58.942 -10.661 2.578 1.00 0.00 C ATOM 417 CD1 ILE A 115 60.619 -9.960 -0.469 1.00 0.00 C ATOM 0 H ILE A 115 59.406 -8.473 3.800 1.00 0.00 H new ATOM 0 HA ILE A 115 58.708 -7.495 1.198 1.00 0.00 H new ATOM 0 HB ILE A 115 60.406 -9.258 1.860 1.00 0.00 H new ATOM 0 HG12 ILE A 115 58.814 -10.976 0.149 1.00 0.00 H new ATOM 0 HG13 ILE A 115 58.561 -9.313 -0.343 1.00 0.00 H new ATOM 0 HG21 ILE A 115 59.581 -11.528 2.410 1.00 0.00 H new ATOM 0 HG22 ILE A 115 59.033 -10.339 3.615 1.00 0.00 H new ATOM 0 HG23 ILE A 115 57.906 -10.929 2.371 1.00 0.00 H new ATOM 0 HD11 ILE A 115 60.527 -10.281 -1.507 1.00 0.00 H new ATOM 0 HD12 ILE A 115 61.028 -8.950 -0.437 1.00 0.00 H new ATOM 0 HD13 ILE A 115 61.286 -10.639 0.063 1.00 0.00 H new ATOM 429 N GLU A 116 56.424 -9.405 2.578 1.00 0.00 N ATOM 430 CA GLU A 116 54.990 -9.786 2.425 1.00 0.00 C ATOM 431 C GLU A 116 54.143 -8.543 2.142 1.00 0.00 C ATOM 432 O GLU A 116 53.306 -8.536 1.262 1.00 0.00 O ATOM 433 CB GLU A 116 54.599 -10.406 3.767 1.00 0.00 C ATOM 434 CG GLU A 116 55.327 -11.740 3.948 1.00 0.00 C ATOM 435 CD GLU A 116 54.366 -12.766 4.552 1.00 0.00 C ATOM 436 OE1 GLU A 116 53.498 -13.232 3.833 1.00 0.00 O ATOM 437 OE2 GLU A 116 54.516 -13.070 5.724 1.00 0.00 O ATOM 0 H GLU A 116 56.880 -9.758 3.419 1.00 0.00 H new ATOM 0 HA GLU A 116 54.831 -10.476 1.596 1.00 0.00 H new ATOM 0 HB2 GLU A 116 54.855 -9.727 4.581 1.00 0.00 H new ATOM 0 HB3 GLU A 116 53.521 -10.560 3.807 1.00 0.00 H new ATOM 0 HG2 GLU A 116 55.700 -12.096 2.988 1.00 0.00 H new ATOM 0 HG3 GLU A 116 56.192 -11.609 4.598 1.00 0.00 H new ATOM 444 N GLU A 117 54.358 -7.488 2.882 1.00 0.00 N ATOM 445 CA GLU A 117 53.568 -6.245 2.654 1.00 0.00 C ATOM 446 C GLU A 117 53.759 -5.756 1.217 1.00 0.00 C ATOM 447 O GLU A 117 52.808 -5.489 0.510 1.00 0.00 O ATOM 448 CB GLU A 117 54.133 -5.227 3.647 1.00 0.00 C ATOM 449 CG GLU A 117 53.303 -5.248 4.932 1.00 0.00 C ATOM 450 CD GLU A 117 54.150 -4.729 6.095 1.00 0.00 C ATOM 451 OE1 GLU A 117 54.913 -5.509 6.640 1.00 0.00 O ATOM 452 OE2 GLU A 117 54.022 -3.559 6.419 1.00 0.00 O ATOM 0 H GLU A 117 55.046 -7.434 3.633 1.00 0.00 H new ATOM 0 HA GLU A 117 52.499 -6.402 2.797 1.00 0.00 H new ATOM 0 HB2 GLU A 117 55.174 -5.461 3.871 1.00 0.00 H new ATOM 0 HB3 GLU A 117 54.118 -4.229 3.209 1.00 0.00 H new ATOM 0 HG2 GLU A 117 52.413 -4.630 4.813 1.00 0.00 H new ATOM 0 HG3 GLU A 117 52.962 -6.262 5.141 1.00 0.00 H new ATOM 459 N LEU A 118 54.983 -5.640 0.778 1.00 0.00 N ATOM 460 CA LEU A 118 55.233 -5.170 -0.615 1.00 0.00 C ATOM 461 C LEU A 118 54.419 -6.010 -1.602 1.00 0.00 C ATOM 462 O LEU A 118 53.951 -5.521 -2.612 1.00 0.00 O ATOM 463 CB LEU A 118 56.731 -5.380 -0.843 1.00 0.00 C ATOM 464 CG LEU A 118 57.395 -4.035 -1.149 1.00 0.00 C ATOM 465 CD1 LEU A 118 56.750 -3.416 -2.390 1.00 0.00 C ATOM 466 CD2 LEU A 118 57.209 -3.095 0.044 1.00 0.00 C ATOM 0 H LEU A 118 55.820 -5.850 1.323 1.00 0.00 H new ATOM 0 HA LEU A 118 54.942 -4.130 -0.761 1.00 0.00 H new ATOM 0 HB2 LEU A 118 57.185 -5.829 0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 118 56.890 -6.073 -1.670 1.00 0.00 H new ATOM 0 HG LEU A 118 58.459 -4.188 -1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 118 57.223 -2.458 -2.607 1.00 0.00 H new ATOM 0 HD12 LEU A 118 56.880 -4.086 -3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 118 55.686 -3.262 -2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 118 57.681 -2.136 -0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 118 56.145 -2.943 0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 118 57.668 -3.535 0.929 1.00 0.00 H new ATOM 478 N GLY A 119 54.248 -7.273 -1.317 1.00 0.00 N ATOM 479 CA GLY A 119 53.466 -8.147 -2.236 1.00 0.00 C ATOM 480 C GLY A 119 51.986 -7.765 -2.175 1.00 0.00 C ATOM 481 O GLY A 119 51.433 -7.234 -3.119 1.00 0.00 O ATOM 0 H GLY A 119 54.617 -7.737 -0.487 1.00 0.00 H new ATOM 0 HA2 GLY A 119 53.837 -8.043 -3.256 1.00 0.00 H new ATOM 0 HA3 GLY A 119 53.594 -9.193 -1.956 1.00 0.00 H new ATOM 485 N GLU A 120 51.335 -8.031 -1.074 1.00 0.00 N ATOM 486 CA GLU A 120 49.888 -7.682 -0.962 1.00 0.00 C ATOM 487 C GLU A 120 49.656 -6.238 -1.417 1.00 0.00 C ATOM 488 O GLU A 120 48.740 -5.952 -2.161 1.00 0.00 O ATOM 489 CB GLU A 120 49.545 -7.846 0.520 1.00 0.00 C ATOM 490 CG GLU A 120 50.366 -6.862 1.356 1.00 0.00 C ATOM 491 CD GLU A 120 50.104 -7.115 2.842 1.00 0.00 C ATOM 492 OE1 GLU A 120 50.776 -7.961 3.407 1.00 0.00 O ATOM 493 OE2 GLU A 120 49.234 -6.457 3.390 1.00 0.00 O ATOM 0 H GLU A 120 51.741 -8.474 -0.249 1.00 0.00 H new ATOM 0 HA GLU A 120 49.263 -8.316 -1.590 1.00 0.00 H new ATOM 0 HB2 GLU A 120 48.481 -7.671 0.678 1.00 0.00 H new ATOM 0 HB3 GLU A 120 49.751 -8.868 0.839 1.00 0.00 H new ATOM 0 HG2 GLU A 120 51.427 -6.980 1.137 1.00 0.00 H new ATOM 0 HG3 GLU A 120 50.099 -5.837 1.098 1.00 0.00 H new ATOM 500 N ILE A 121 50.484 -5.328 -0.981 1.00 0.00 N ATOM 501 CA ILE A 121 50.312 -3.906 -1.394 1.00 0.00 C ATOM 502 C ILE A 121 50.339 -3.801 -2.920 1.00 0.00 C ATOM 503 O ILE A 121 49.465 -3.215 -3.529 1.00 0.00 O ATOM 504 CB ILE A 121 51.503 -3.169 -0.777 1.00 0.00 C ATOM 505 CG1 ILE A 121 51.338 -3.131 0.744 1.00 0.00 C ATOM 506 CG2 ILE A 121 51.567 -1.738 -1.317 1.00 0.00 C ATOM 507 CD1 ILE A 121 52.504 -2.363 1.366 1.00 0.00 C ATOM 0 H ILE A 121 51.271 -5.507 -0.358 1.00 0.00 H new ATOM 0 HA ILE A 121 49.362 -3.485 -1.063 1.00 0.00 H new ATOM 0 HB ILE A 121 52.424 -3.691 -1.037 1.00 0.00 H new ATOM 0 HG12 ILE A 121 50.394 -2.654 1.006 1.00 0.00 H new ATOM 0 HG13 ILE A 121 51.304 -4.145 1.142 1.00 0.00 H new ATOM 0 HG21 ILE A 121 52.417 -1.219 -0.874 1.00 0.00 H new ATOM 0 HG22 ILE A 121 51.682 -1.763 -2.401 1.00 0.00 H new ATOM 0 HG23 ILE A 121 50.647 -1.211 -1.062 1.00 0.00 H new ATOM 0 HD11 ILE A 121 52.386 -2.336 2.449 1.00 0.00 H new ATOM 0 HD12 ILE A 121 53.442 -2.859 1.115 1.00 0.00 H new ATOM 0 HD13 ILE A 121 52.518 -1.345 0.977 1.00 0.00 H new ATOM 519 N LEU A 122 51.334 -4.370 -3.544 1.00 0.00 N ATOM 520 CA LEU A 122 51.416 -4.310 -5.030 1.00 0.00 C ATOM 521 C LEU A 122 50.428 -5.304 -5.649 1.00 0.00 C ATOM 522 O LEU A 122 49.607 -4.947 -6.470 1.00 0.00 O ATOM 523 CB LEU A 122 52.855 -4.704 -5.364 1.00 0.00 C ATOM 524 CG LEU A 122 53.738 -3.455 -5.361 1.00 0.00 C ATOM 525 CD1 LEU A 122 55.185 -3.852 -5.662 1.00 0.00 C ATOM 526 CD2 LEU A 122 53.243 -2.483 -6.434 1.00 0.00 C ATOM 0 H LEU A 122 52.094 -4.874 -3.088 1.00 0.00 H new ATOM 0 HA LEU A 122 51.165 -3.324 -5.421 1.00 0.00 H new ATOM 0 HB2 LEU A 122 53.224 -5.426 -4.635 1.00 0.00 H new ATOM 0 HB3 LEU A 122 52.894 -5.188 -6.340 1.00 0.00 H new ATOM 0 HG LEU A 122 53.689 -2.976 -4.383 1.00 0.00 H new ATOM 0 HD11 LEU A 122 55.814 -2.962 -5.660 1.00 0.00 H new ATOM 0 HD12 LEU A 122 55.537 -4.547 -4.900 1.00 0.00 H new ATOM 0 HD13 LEU A 122 55.235 -4.330 -6.641 1.00 0.00 H new ATOM 0 HD21 LEU A 122 53.870 -1.592 -6.435 1.00 0.00 H new ATOM 0 HD22 LEU A 122 53.294 -2.963 -7.411 1.00 0.00 H new ATOM 0 HD23 LEU A 122 52.212 -2.201 -6.222 1.00 0.00 H new ATOM 538 N ARG A 123 50.501 -6.548 -5.260 1.00 0.00 N ATOM 539 CA ARG A 123 49.564 -7.561 -5.823 1.00 0.00 C ATOM 540 C ARG A 123 48.124 -7.043 -5.752 1.00 0.00 C ATOM 541 O ARG A 123 47.301 -7.349 -6.592 1.00 0.00 O ATOM 542 CB ARG A 123 49.733 -8.795 -4.935 1.00 0.00 C ATOM 543 CG ARG A 123 50.930 -9.616 -5.419 1.00 0.00 C ATOM 544 CD ARG A 123 50.606 -11.107 -5.301 1.00 0.00 C ATOM 545 NE ARG A 123 51.790 -11.804 -5.879 1.00 0.00 N ATOM 546 CZ ARG A 123 52.136 -12.980 -5.433 1.00 0.00 C ATOM 547 NH1 ARG A 123 51.222 -13.821 -5.031 1.00 0.00 N ATOM 548 NH2 ARG A 123 53.396 -13.316 -5.389 1.00 0.00 N ATOM 0 H ARG A 123 51.169 -6.906 -4.577 1.00 0.00 H new ATOM 0 HA ARG A 123 49.773 -7.781 -6.870 1.00 0.00 H new ATOM 0 HB2 ARG A 123 49.882 -8.492 -3.899 1.00 0.00 H new ATOM 0 HB3 ARG A 123 48.828 -9.402 -4.962 1.00 0.00 H new ATOM 0 HG2 ARG A 123 51.163 -9.364 -6.454 1.00 0.00 H new ATOM 0 HG3 ARG A 123 51.813 -9.377 -4.826 1.00 0.00 H new ATOM 0 HD2 ARG A 123 50.446 -11.395 -4.262 1.00 0.00 H new ATOM 0 HD3 ARG A 123 49.695 -11.358 -5.845 1.00 0.00 H new ATOM 0 HE ARG A 123 52.329 -11.362 -6.623 1.00 0.00 H new ATOM 0 HH11 ARG A 123 50.237 -13.559 -5.066 1.00 0.00 H new ATOM 0 HH12 ARG A 123 51.493 -14.740 -4.682 1.00 0.00 H new ATOM 0 HH21 ARG A 123 54.110 -12.659 -5.703 1.00 0.00 H new ATOM 0 HH22 ARG A 123 53.667 -14.236 -5.040 1.00 0.00 H new ATOM 562 N ALA A 124 47.817 -6.263 -4.753 1.00 0.00 N ATOM 563 CA ALA A 124 46.433 -5.725 -4.623 1.00 0.00 C ATOM 564 C ALA A 124 46.043 -4.945 -5.882 1.00 0.00 C ATOM 565 O ALA A 124 44.946 -5.071 -6.387 1.00 0.00 O ATOM 566 CB ALA A 124 46.484 -4.796 -3.409 1.00 0.00 C ATOM 0 H ALA A 124 48.465 -5.974 -4.020 1.00 0.00 H new ATOM 0 HA ALA A 124 45.693 -6.516 -4.502 1.00 0.00 H new ATOM 0 HB1 ALA A 124 45.500 -4.357 -3.245 1.00 0.00 H new ATOM 0 HB2 ALA A 124 46.779 -5.365 -2.528 1.00 0.00 H new ATOM 0 HB3 ALA A 124 47.209 -4.002 -3.588 1.00 0.00 H new ATOM 572 N THR A 125 46.934 -4.138 -6.392 1.00 0.00 N ATOM 573 CA THR A 125 46.613 -3.350 -7.616 1.00 0.00 C ATOM 574 C THR A 125 46.171 -4.282 -8.749 1.00 0.00 C ATOM 575 O THR A 125 45.216 -4.012 -9.450 1.00 0.00 O ATOM 576 CB THR A 125 47.916 -2.639 -7.985 1.00 0.00 C ATOM 577 OG1 THR A 125 48.919 -3.604 -8.262 1.00 0.00 O ATOM 578 CG2 THR A 125 48.363 -1.755 -6.819 1.00 0.00 C ATOM 0 H THR A 125 47.870 -3.991 -6.014 1.00 0.00 H new ATOM 0 HA THR A 125 45.798 -2.646 -7.449 1.00 0.00 H new ATOM 0 HB THR A 125 47.755 -2.020 -8.868 1.00 0.00 H new ATOM 0 HG1 THR A 125 49.447 -3.769 -7.453 1.00 0.00 H new ATOM 0 HG21 THR A 125 49.292 -1.248 -7.082 1.00 0.00 H new ATOM 0 HG22 THR A 125 47.592 -1.014 -6.608 1.00 0.00 H new ATOM 0 HG23 THR A 125 48.524 -2.372 -5.935 1.00 0.00 H new ATOM 586 N GLY A 126 46.856 -5.378 -8.934 1.00 0.00 N ATOM 587 CA GLY A 126 46.471 -6.322 -10.021 1.00 0.00 C ATOM 588 C GLY A 126 47.723 -6.774 -10.775 1.00 0.00 C ATOM 589 O GLY A 126 47.851 -7.923 -11.151 1.00 0.00 O ATOM 0 H GLY A 126 47.665 -5.660 -8.380 1.00 0.00 H new ATOM 0 HA2 GLY A 126 45.956 -7.186 -9.601 1.00 0.00 H new ATOM 0 HA3 GLY A 126 45.776 -5.838 -10.707 1.00 0.00 H new ATOM 593 N GLU A 127 48.647 -5.881 -11.000 1.00 0.00 N ATOM 594 CA GLU A 127 49.891 -6.261 -11.730 1.00 0.00 C ATOM 595 C GLU A 127 50.452 -7.574 -11.177 1.00 0.00 C ATOM 596 O GLU A 127 50.694 -7.707 -9.994 1.00 0.00 O ATOM 597 CB GLU A 127 50.866 -5.113 -11.474 1.00 0.00 C ATOM 598 CG GLU A 127 50.584 -3.970 -12.452 1.00 0.00 C ATOM 599 CD GLU A 127 51.859 -3.632 -13.224 1.00 0.00 C ATOM 600 OE1 GLU A 127 52.916 -4.076 -12.808 1.00 0.00 O ATOM 601 OE2 GLU A 127 51.758 -2.934 -14.220 1.00 0.00 O ATOM 0 H GLU A 127 48.595 -4.904 -10.710 1.00 0.00 H new ATOM 0 HA GLU A 127 49.713 -6.416 -12.794 1.00 0.00 H new ATOM 0 HB2 GLU A 127 50.766 -4.760 -10.448 1.00 0.00 H new ATOM 0 HB3 GLU A 127 51.892 -5.461 -11.592 1.00 0.00 H new ATOM 0 HG2 GLU A 127 49.792 -4.257 -13.144 1.00 0.00 H new ATOM 0 HG3 GLU A 127 50.231 -3.093 -11.910 1.00 0.00 H new ATOM 608 N HIS A 128 50.660 -8.544 -12.024 1.00 0.00 N ATOM 609 CA HIS A 128 51.206 -9.848 -11.547 1.00 0.00 C ATOM 610 C HIS A 128 52.682 -9.697 -11.164 1.00 0.00 C ATOM 611 O HIS A 128 53.556 -10.273 -11.780 1.00 0.00 O ATOM 612 CB HIS A 128 51.049 -10.799 -12.734 1.00 0.00 C ATOM 613 CG HIS A 128 52.012 -10.414 -13.824 1.00 0.00 C ATOM 614 ND1 HIS A 128 52.391 -9.193 -14.327 1.00 0.00 N flip ATOM 615 CD2 HIS A 128 52.727 -11.358 -14.544 1.00 0.00 C flip ATOM 616 CE1 HIS A 128 53.325 -9.375 -15.343 1.00 0.00 C flip ATOM 617 NE2 HIS A 128 53.492 -10.697 -15.432 1.00 0.00 N flip ATOM 0 H HIS A 128 50.476 -8.491 -13.026 1.00 0.00 H new ATOM 0 HA HIS A 128 50.688 -10.215 -10.661 1.00 0.00 H new ATOM 0 HB2 HIS A 128 51.235 -11.825 -12.417 1.00 0.00 H new ATOM 0 HB3 HIS A 128 50.026 -10.762 -13.109 1.00 0.00 H new ATOM 0 HD2 HIS A 128 52.679 -12.429 -14.416 1.00 0.00 H new ATOM 0 HE1 HIS A 128 53.810 -8.611 -15.933 1.00 0.00 H new ATOM 0 HE2 HIS A 128 54.123 -11.151 -16.093 1.00 0.00 H new ATOM 625 N VAL A 129 52.965 -8.929 -10.147 1.00 0.00 N ATOM 626 CA VAL A 129 54.383 -8.743 -9.724 1.00 0.00 C ATOM 627 C VAL A 129 54.964 -10.070 -9.228 1.00 0.00 C ATOM 628 O VAL A 129 54.264 -10.902 -8.688 1.00 0.00 O ATOM 629 CB VAL A 129 54.329 -7.722 -8.587 1.00 0.00 C ATOM 630 CG1 VAL A 129 55.735 -7.184 -8.316 1.00 0.00 C ATOM 631 CG2 VAL A 129 53.409 -6.565 -8.985 1.00 0.00 C ATOM 0 H VAL A 129 52.276 -8.422 -9.591 1.00 0.00 H new ATOM 0 HA VAL A 129 55.017 -8.405 -10.543 1.00 0.00 H new ATOM 0 HB VAL A 129 53.944 -8.201 -7.687 1.00 0.00 H new ATOM 0 HG11 VAL A 129 55.696 -6.456 -7.505 1.00 0.00 H new ATOM 0 HG12 VAL A 129 56.391 -8.007 -8.033 1.00 0.00 H new ATOM 0 HG13 VAL A 129 56.121 -6.705 -9.216 1.00 0.00 H new ATOM 0 HG21 VAL A 129 53.370 -5.836 -8.175 1.00 0.00 H new ATOM 0 HG22 VAL A 129 53.795 -6.087 -9.885 1.00 0.00 H new ATOM 0 HG23 VAL A 129 52.407 -6.947 -9.178 1.00 0.00 H new ATOM 641 N ILE A 130 56.240 -10.275 -9.410 1.00 0.00 N ATOM 642 CA ILE A 130 56.863 -11.550 -8.948 1.00 0.00 C ATOM 643 C ILE A 130 57.902 -11.272 -7.859 1.00 0.00 C ATOM 644 O ILE A 130 58.584 -10.267 -7.880 1.00 0.00 O ATOM 645 CB ILE A 130 57.531 -12.134 -10.192 1.00 0.00 C ATOM 646 CG1 ILE A 130 58.699 -11.237 -10.609 1.00 0.00 C ATOM 647 CG2 ILE A 130 56.513 -12.207 -11.331 1.00 0.00 C ATOM 648 CD1 ILE A 130 59.321 -11.777 -11.898 1.00 0.00 C ATOM 0 H ILE A 130 56.878 -9.617 -9.858 1.00 0.00 H new ATOM 0 HA ILE A 130 56.132 -12.234 -8.517 1.00 0.00 H new ATOM 0 HB ILE A 130 57.901 -13.135 -9.971 1.00 0.00 H new ATOM 0 HG12 ILE A 130 58.351 -10.215 -10.761 1.00 0.00 H new ATOM 0 HG13 ILE A 130 59.447 -11.204 -9.817 1.00 0.00 H new ATOM 0 HG21 ILE A 130 56.989 -12.624 -12.219 1.00 0.00 H new ATOM 0 HG22 ILE A 130 55.680 -12.844 -11.034 1.00 0.00 H new ATOM 0 HG23 ILE A 130 56.144 -11.206 -11.554 1.00 0.00 H new ATOM 0 HD11 ILE A 130 60.153 -11.139 -12.196 1.00 0.00 H new ATOM 0 HD12 ILE A 130 59.684 -12.791 -11.730 1.00 0.00 H new ATOM 0 HD13 ILE A 130 58.570 -11.787 -12.688 1.00 0.00 H new ATOM 660 N GLU A 131 58.026 -12.156 -6.906 1.00 0.00 N ATOM 661 CA GLU A 131 59.019 -11.946 -5.815 1.00 0.00 C ATOM 662 C GLU A 131 60.350 -11.455 -6.394 1.00 0.00 C ATOM 663 O GLU A 131 60.909 -10.477 -5.941 1.00 0.00 O ATOM 664 CB GLU A 131 59.191 -13.320 -5.166 1.00 0.00 C ATOM 665 CG GLU A 131 58.123 -13.514 -4.089 1.00 0.00 C ATOM 666 CD GLU A 131 57.834 -15.007 -3.917 1.00 0.00 C ATOM 667 OE1 GLU A 131 58.059 -15.745 -4.862 1.00 0.00 O ATOM 668 OE2 GLU A 131 57.394 -15.385 -2.844 1.00 0.00 O ATOM 0 H GLU A 131 57.481 -13.016 -6.836 1.00 0.00 H new ATOM 0 HA GLU A 131 58.690 -11.194 -5.098 1.00 0.00 H new ATOM 0 HB2 GLU A 131 59.108 -14.103 -5.920 1.00 0.00 H new ATOM 0 HB3 GLU A 131 60.185 -13.404 -4.727 1.00 0.00 H new ATOM 0 HG2 GLU A 131 58.462 -13.088 -3.145 1.00 0.00 H new ATOM 0 HG3 GLU A 131 57.211 -12.986 -4.368 1.00 0.00 H new ATOM 675 N GLU A 132 60.858 -12.127 -7.391 1.00 0.00 N ATOM 676 CA GLU A 132 62.151 -11.696 -7.999 1.00 0.00 C ATOM 677 C GLU A 132 62.175 -10.174 -8.153 1.00 0.00 C ATOM 678 O GLU A 132 63.210 -9.545 -8.050 1.00 0.00 O ATOM 679 CB GLU A 132 62.194 -12.376 -9.369 1.00 0.00 C ATOM 680 CG GLU A 132 63.445 -13.253 -9.468 1.00 0.00 C ATOM 681 CD GLU A 132 64.345 -12.736 -10.593 1.00 0.00 C ATOM 682 OE1 GLU A 132 64.751 -11.587 -10.520 1.00 0.00 O ATOM 683 OE2 GLU A 132 64.613 -13.498 -11.506 1.00 0.00 O ATOM 0 H GLU A 132 60.435 -12.955 -7.811 1.00 0.00 H new ATOM 0 HA GLU A 132 63.009 -11.969 -7.385 1.00 0.00 H new ATOM 0 HB2 GLU A 132 61.300 -12.983 -9.513 1.00 0.00 H new ATOM 0 HB3 GLU A 132 62.201 -11.625 -10.159 1.00 0.00 H new ATOM 0 HG2 GLU A 132 63.986 -13.242 -8.522 1.00 0.00 H new ATOM 0 HG3 GLU A 132 63.162 -14.288 -9.661 1.00 0.00 H new ATOM 690 N ASP A 133 61.041 -9.578 -8.391 1.00 0.00 N ATOM 691 CA ASP A 133 60.993 -8.097 -8.544 1.00 0.00 C ATOM 692 C ASP A 133 60.808 -7.444 -7.173 1.00 0.00 C ATOM 693 O ASP A 133 61.499 -6.509 -6.820 1.00 0.00 O ATOM 694 CB ASP A 133 59.782 -7.829 -9.438 1.00 0.00 C ATOM 695 CG ASP A 133 60.247 -7.207 -10.755 1.00 0.00 C ATOM 696 OD1 ASP A 133 61.277 -6.553 -10.747 1.00 0.00 O ATOM 697 OD2 ASP A 133 59.568 -7.397 -11.750 1.00 0.00 O ATOM 0 H ASP A 133 60.143 -10.053 -8.486 1.00 0.00 H new ATOM 0 HA ASP A 133 61.908 -7.690 -8.974 1.00 0.00 H new ATOM 0 HB2 ASP A 133 59.247 -8.759 -9.632 1.00 0.00 H new ATOM 0 HB3 ASP A 133 59.085 -7.159 -8.933 1.00 0.00 H new ATOM 702 N ILE A 134 59.887 -7.941 -6.395 1.00 0.00 N ATOM 703 CA ILE A 134 59.661 -7.361 -5.042 1.00 0.00 C ATOM 704 C ILE A 134 60.943 -7.467 -4.212 1.00 0.00 C ATOM 705 O ILE A 134 61.290 -6.575 -3.465 1.00 0.00 O ATOM 706 CB ILE A 134 58.555 -8.216 -4.430 1.00 0.00 C ATOM 707 CG1 ILE A 134 57.327 -8.178 -5.341 1.00 0.00 C ATOM 708 CG2 ILE A 134 58.184 -7.667 -3.051 1.00 0.00 C ATOM 709 CD1 ILE A 134 56.143 -8.817 -4.618 1.00 0.00 C ATOM 0 H ILE A 134 59.281 -8.724 -6.638 1.00 0.00 H new ATOM 0 HA ILE A 134 59.387 -6.307 -5.078 1.00 0.00 H new ATOM 0 HB ILE A 134 58.904 -9.243 -4.326 1.00 0.00 H new ATOM 0 HG12 ILE A 134 57.091 -7.148 -5.610 1.00 0.00 H new ATOM 0 HG13 ILE A 134 57.532 -8.711 -6.269 1.00 0.00 H new ATOM 0 HG21 ILE A 134 57.394 -8.279 -2.616 1.00 0.00 H new ATOM 0 HG22 ILE A 134 59.060 -7.690 -2.402 1.00 0.00 H new ATOM 0 HG23 ILE A 134 57.834 -6.640 -3.151 1.00 0.00 H new ATOM 0 HD11 ILE A 134 55.266 -8.792 -5.264 1.00 0.00 H new ATOM 0 HD12 ILE A 134 56.382 -9.851 -4.371 1.00 0.00 H new ATOM 0 HD13 ILE A 134 55.935 -8.264 -3.702 1.00 0.00 H new ATOM 721 N GLU A 135 61.649 -8.556 -4.344 1.00 0.00 N ATOM 722 CA GLU A 135 62.911 -8.730 -3.570 1.00 0.00 C ATOM 723 C GLU A 135 63.793 -7.485 -3.706 1.00 0.00 C ATOM 724 O GLU A 135 64.288 -6.953 -2.731 1.00 0.00 O ATOM 725 CB GLU A 135 63.600 -9.940 -4.203 1.00 0.00 C ATOM 726 CG GLU A 135 63.134 -11.219 -3.503 1.00 0.00 C ATOM 727 CD GLU A 135 64.193 -12.309 -3.675 1.00 0.00 C ATOM 728 OE1 GLU A 135 65.315 -11.971 -4.016 1.00 0.00 O ATOM 729 OE2 GLU A 135 63.865 -13.465 -3.463 1.00 0.00 O ATOM 0 H GLU A 135 61.406 -9.335 -4.956 1.00 0.00 H new ATOM 0 HA GLU A 135 62.724 -8.874 -2.506 1.00 0.00 H new ATOM 0 HB2 GLU A 135 63.366 -9.989 -5.267 1.00 0.00 H new ATOM 0 HB3 GLU A 135 64.682 -9.841 -4.119 1.00 0.00 H new ATOM 0 HG2 GLU A 135 62.965 -11.026 -2.444 1.00 0.00 H new ATOM 0 HG3 GLU A 135 62.184 -11.550 -3.922 1.00 0.00 H new ATOM 736 N ASP A 136 63.995 -7.020 -4.908 1.00 0.00 N ATOM 737 CA ASP A 136 64.849 -5.814 -5.111 1.00 0.00 C ATOM 738 C ASP A 136 64.397 -4.670 -4.198 1.00 0.00 C ATOM 739 O ASP A 136 65.199 -4.025 -3.552 1.00 0.00 O ATOM 740 CB ASP A 136 64.651 -5.435 -6.579 1.00 0.00 C ATOM 741 CG ASP A 136 65.403 -4.137 -6.879 1.00 0.00 C ATOM 742 OD1 ASP A 136 66.530 -4.012 -6.429 1.00 0.00 O ATOM 743 OD2 ASP A 136 64.841 -3.292 -7.555 1.00 0.00 O ATOM 0 H ASP A 136 63.605 -7.423 -5.760 1.00 0.00 H new ATOM 0 HA ASP A 136 65.894 -6.009 -4.872 1.00 0.00 H new ATOM 0 HB2 ASP A 136 65.014 -6.235 -7.224 1.00 0.00 H new ATOM 0 HB3 ASP A 136 63.590 -5.310 -6.793 1.00 0.00 H new ATOM 748 N LEU A 137 63.120 -4.406 -4.144 1.00 0.00 N ATOM 749 CA LEU A 137 62.620 -3.297 -3.281 1.00 0.00 C ATOM 750 C LEU A 137 63.120 -3.457 -1.842 1.00 0.00 C ATOM 751 O LEU A 137 63.691 -2.549 -1.270 1.00 0.00 O ATOM 752 CB LEU A 137 61.097 -3.409 -3.334 1.00 0.00 C ATOM 753 CG LEU A 137 60.566 -2.553 -4.484 1.00 0.00 C ATOM 754 CD1 LEU A 137 59.103 -2.909 -4.754 1.00 0.00 C ATOM 755 CD2 LEU A 137 60.669 -1.073 -4.106 1.00 0.00 C ATOM 0 H LEU A 137 62.400 -4.911 -4.661 1.00 0.00 H new ATOM 0 HA LEU A 137 62.973 -2.325 -3.625 1.00 0.00 H new ATOM 0 HB2 LEU A 137 60.802 -4.449 -3.474 1.00 0.00 H new ATOM 0 HB3 LEU A 137 60.664 -3.079 -2.390 1.00 0.00 H new ATOM 0 HG LEU A 137 61.156 -2.743 -5.380 1.00 0.00 H new ATOM 0 HD11 LEU A 137 58.725 -2.298 -5.574 1.00 0.00 H new ATOM 0 HD12 LEU A 137 59.029 -3.963 -5.022 1.00 0.00 H new ATOM 0 HD13 LEU A 137 58.511 -2.720 -3.858 1.00 0.00 H new ATOM 0 HD21 LEU A 137 60.291 -0.461 -4.925 1.00 0.00 H new ATOM 0 HD22 LEU A 137 60.078 -0.885 -3.209 1.00 0.00 H new ATOM 0 HD23 LEU A 137 61.711 -0.818 -3.914 1.00 0.00 H new ATOM 767 N MET A 138 62.907 -4.598 -1.248 1.00 0.00 N ATOM 768 CA MET A 138 63.369 -4.801 0.154 1.00 0.00 C ATOM 769 C MET A 138 64.895 -4.792 0.212 1.00 0.00 C ATOM 770 O MET A 138 65.492 -4.071 0.985 1.00 0.00 O ATOM 771 CB MET A 138 62.826 -6.173 0.557 1.00 0.00 C ATOM 772 CG MET A 138 63.456 -6.604 1.885 1.00 0.00 C ATOM 773 SD MET A 138 63.304 -5.263 3.092 1.00 0.00 S ATOM 774 CE MET A 138 61.500 -5.277 3.220 1.00 0.00 C ATOM 0 H MET A 138 62.434 -5.397 -1.671 1.00 0.00 H new ATOM 0 HA MET A 138 63.020 -4.013 0.821 1.00 0.00 H new ATOM 0 HB2 MET A 138 61.741 -6.132 0.654 1.00 0.00 H new ATOM 0 HB3 MET A 138 63.049 -6.906 -0.218 1.00 0.00 H new ATOM 0 HG2 MET A 138 62.963 -7.501 2.259 1.00 0.00 H new ATOM 0 HG3 MET A 138 64.506 -6.856 1.736 1.00 0.00 H new ATOM 0 HE1 MET A 138 61.183 -4.549 3.966 1.00 0.00 H new ATOM 0 HE2 MET A 138 61.065 -5.020 2.254 1.00 0.00 H new ATOM 0 HE3 MET A 138 61.164 -6.270 3.517 1.00 0.00 H new ATOM 784 N LYS A 139 65.528 -5.591 -0.599 1.00 0.00 N ATOM 785 CA LYS A 139 67.016 -5.637 -0.589 1.00 0.00 C ATOM 786 C LYS A 139 67.598 -4.222 -0.671 1.00 0.00 C ATOM 787 O LYS A 139 68.308 -3.781 0.211 1.00 0.00 O ATOM 788 CB LYS A 139 67.396 -6.445 -1.830 1.00 0.00 C ATOM 789 CG LYS A 139 68.542 -7.397 -1.487 1.00 0.00 C ATOM 790 CD LYS A 139 67.972 -8.740 -1.024 1.00 0.00 C ATOM 791 CE LYS A 139 67.750 -9.646 -2.237 1.00 0.00 C ATOM 792 NZ LYS A 139 68.052 -11.021 -1.749 1.00 0.00 N ATOM 0 H LYS A 139 65.079 -6.215 -1.269 1.00 0.00 H new ATOM 0 HA LYS A 139 67.405 -6.084 0.326 1.00 0.00 H new ATOM 0 HB2 LYS A 139 66.535 -7.009 -2.187 1.00 0.00 H new ATOM 0 HB3 LYS A 139 67.695 -5.775 -2.636 1.00 0.00 H new ATOM 0 HG2 LYS A 139 69.181 -7.542 -2.358 1.00 0.00 H new ATOM 0 HG3 LYS A 139 69.165 -6.965 -0.704 1.00 0.00 H new ATOM 0 HD2 LYS A 139 68.657 -9.215 -0.322 1.00 0.00 H new ATOM 0 HD3 LYS A 139 67.031 -8.585 -0.496 1.00 0.00 H new ATOM 0 HE2 LYS A 139 66.726 -9.573 -2.603 1.00 0.00 H new ATOM 0 HE3 LYS A 139 68.404 -9.367 -3.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 67.922 -11.701 -2.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 69.036 -11.062 -1.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 67.409 -11.261 -0.967 1.00 0.00 H new ATOM 806 N ASP A 140 67.308 -3.511 -1.726 1.00 0.00 N ATOM 807 CA ASP A 140 67.850 -2.128 -1.870 1.00 0.00 C ATOM 808 C ASP A 140 67.480 -1.273 -0.654 1.00 0.00 C ATOM 809 O ASP A 140 68.256 -0.456 -0.200 1.00 0.00 O ATOM 810 CB ASP A 140 67.190 -1.574 -3.132 1.00 0.00 C ATOM 811 CG ASP A 140 67.695 -0.153 -3.390 1.00 0.00 C ATOM 812 OD1 ASP A 140 68.834 -0.016 -3.807 1.00 0.00 O ATOM 813 OD2 ASP A 140 66.935 0.775 -3.168 1.00 0.00 O ATOM 0 H ASP A 140 66.719 -3.828 -2.496 1.00 0.00 H new ATOM 0 HA ASP A 140 68.938 -2.122 -1.938 1.00 0.00 H new ATOM 0 HB2 ASP A 140 67.418 -2.213 -3.985 1.00 0.00 H new ATOM 0 HB3 ASP A 140 66.106 -1.571 -3.017 1.00 0.00 H new ATOM 818 N SER A 141 66.300 -1.449 -0.128 1.00 0.00 N ATOM 819 CA SER A 141 65.884 -0.639 1.054 1.00 0.00 C ATOM 820 C SER A 141 66.550 -1.165 2.327 1.00 0.00 C ATOM 821 O SER A 141 67.208 -0.435 3.041 1.00 0.00 O ATOM 822 CB SER A 141 64.368 -0.807 1.135 1.00 0.00 C ATOM 823 OG SER A 141 63.804 0.325 1.783 1.00 0.00 O ATOM 0 H SER A 141 65.606 -2.117 -0.464 1.00 0.00 H new ATOM 0 HA SER A 141 66.176 0.407 0.957 1.00 0.00 H new ATOM 0 HB2 SER A 141 63.949 -0.914 0.135 1.00 0.00 H new ATOM 0 HB3 SER A 141 64.120 -1.716 1.684 1.00 0.00 H new ATOM 0 HG SER A 141 64.381 1.105 1.640 1.00 0.00 H new ATOM 829 N ASP A 142 66.379 -2.425 2.621 1.00 0.00 N ATOM 830 CA ASP A 142 66.998 -2.997 3.853 1.00 0.00 C ATOM 831 C ASP A 142 68.462 -2.569 3.968 1.00 0.00 C ATOM 832 O ASP A 142 69.351 -3.228 3.466 1.00 0.00 O ATOM 833 CB ASP A 142 66.902 -4.513 3.676 1.00 0.00 C ATOM 834 CG ASP A 142 66.087 -5.113 4.822 1.00 0.00 C ATOM 835 OD1 ASP A 142 65.465 -4.353 5.545 1.00 0.00 O ATOM 836 OD2 ASP A 142 66.100 -6.325 4.956 1.00 0.00 O ATOM 0 H ASP A 142 65.837 -3.084 2.062 1.00 0.00 H new ATOM 0 HA ASP A 142 66.497 -2.654 4.758 1.00 0.00 H new ATOM 0 HB2 ASP A 142 66.433 -4.749 2.721 1.00 0.00 H new ATOM 0 HB3 ASP A 142 67.900 -4.951 3.658 1.00 0.00 H new ATOM 841 N LYS A 143 68.723 -1.475 4.629 1.00 0.00 N ATOM 842 CA LYS A 143 70.134 -1.017 4.776 1.00 0.00 C ATOM 843 C LYS A 143 70.824 -1.790 5.906 1.00 0.00 C ATOM 844 O LYS A 143 71.980 -2.148 5.809 1.00 0.00 O ATOM 845 CB LYS A 143 70.040 0.469 5.121 1.00 0.00 C ATOM 846 CG LYS A 143 71.250 1.204 4.543 1.00 0.00 C ATOM 847 CD LYS A 143 70.774 2.311 3.600 1.00 0.00 C ATOM 848 CE LYS A 143 70.662 3.626 4.375 1.00 0.00 C ATOM 849 NZ LYS A 143 69.221 3.736 4.736 1.00 0.00 N ATOM 0 H LYS A 143 68.023 -0.880 5.072 1.00 0.00 H new ATOM 0 HA LYS A 143 70.718 -1.185 3.871 1.00 0.00 H new ATOM 0 HB2 LYS A 143 69.119 0.889 4.717 1.00 0.00 H new ATOM 0 HB3 LYS A 143 70.004 0.601 6.202 1.00 0.00 H new ATOM 0 HG2 LYS A 143 71.848 1.630 5.348 1.00 0.00 H new ATOM 0 HG3 LYS A 143 71.891 0.505 4.006 1.00 0.00 H new ATOM 0 HD2 LYS A 143 71.473 2.423 2.771 1.00 0.00 H new ATOM 0 HD3 LYS A 143 69.808 2.047 3.169 1.00 0.00 H new ATOM 0 HE2 LYS A 143 71.292 3.616 5.264 1.00 0.00 H new ATOM 0 HE3 LYS A 143 70.983 4.472 3.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 69.051 4.645 5.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 68.642 3.682 3.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 68.963 2.958 5.376 1.00 0.00 H new ATOM 863 N ASN A 144 70.120 -2.052 6.974 1.00 0.00 N ATOM 864 CA ASN A 144 70.735 -2.804 8.106 1.00 0.00 C ATOM 865 C ASN A 144 70.397 -4.294 7.993 1.00 0.00 C ATOM 866 O ASN A 144 70.600 -5.059 8.914 1.00 0.00 O ATOM 867 CB ASN A 144 70.113 -2.202 9.368 1.00 0.00 C ATOM 868 CG ASN A 144 68.673 -2.696 9.519 1.00 0.00 C ATOM 869 OD1 ASN A 144 68.421 -3.671 10.198 1.00 0.00 O ATOM 870 ND2 ASN A 144 67.710 -2.059 8.910 1.00 0.00 N ATOM 0 H ASN A 144 69.147 -1.778 7.112 1.00 0.00 H new ATOM 0 HA ASN A 144 71.822 -2.725 8.114 1.00 0.00 H new ATOM 0 HB2 ASN A 144 70.698 -2.484 10.243 1.00 0.00 H new ATOM 0 HB3 ASN A 144 70.130 -1.114 9.310 1.00 0.00 H new ATOM 0 HD21 ASN A 144 66.746 -2.380 9.005 1.00 0.00 H new ATOM 0 HD22 ASN A 144 67.921 -1.240 8.340 1.00 0.00 H new ATOM 877 N ASN A 145 69.884 -4.707 6.867 1.00 0.00 N ATOM 878 CA ASN A 145 69.531 -6.144 6.686 1.00 0.00 C ATOM 879 C ASN A 145 68.617 -6.619 7.817 1.00 0.00 C ATOM 880 O ASN A 145 69.068 -7.132 8.821 1.00 0.00 O ATOM 881 CB ASN A 145 70.864 -6.893 6.726 1.00 0.00 C ATOM 882 CG ASN A 145 71.859 -6.216 5.783 1.00 0.00 C ATOM 883 OD1 ASN A 145 72.126 -5.037 5.905 1.00 0.00 O ATOM 884 ND2 ASN A 145 72.427 -6.917 4.840 1.00 0.00 N ATOM 0 H ASN A 145 69.693 -4.110 6.062 1.00 0.00 H new ATOM 0 HA ASN A 145 68.994 -6.316 5.753 1.00 0.00 H new ATOM 0 HB2 ASN A 145 71.258 -6.901 7.742 1.00 0.00 H new ATOM 0 HB3 ASN A 145 70.718 -7.932 6.432 1.00 0.00 H new ATOM 0 HD21 ASN A 145 73.094 -6.475 4.207 1.00 0.00 H new ATOM 0 HD22 ASN A 145 72.204 -7.907 4.736 1.00 0.00 H new ATOM 891 N ASP A 146 67.333 -6.458 7.656 1.00 0.00 N ATOM 892 CA ASP A 146 66.384 -6.907 8.715 1.00 0.00 C ATOM 893 C ASP A 146 65.111 -7.454 8.066 1.00 0.00 C ATOM 894 O ASP A 146 64.102 -7.651 8.713 1.00 0.00 O ATOM 895 CB ASP A 146 66.079 -5.655 9.537 1.00 0.00 C ATOM 896 CG ASP A 146 65.573 -4.549 8.613 1.00 0.00 C ATOM 897 OD1 ASP A 146 66.387 -3.967 7.915 1.00 0.00 O ATOM 898 OD2 ASP A 146 64.379 -4.302 8.621 1.00 0.00 O ATOM 0 H ASP A 146 66.899 -6.034 6.836 1.00 0.00 H new ATOM 0 HA ASP A 146 66.796 -7.702 9.337 1.00 0.00 H new ATOM 0 HB2 ASP A 146 65.330 -5.879 10.297 1.00 0.00 H new ATOM 0 HB3 ASP A 146 66.976 -5.324 10.061 1.00 0.00 H new ATOM 903 N GLY A 147 65.158 -7.704 6.785 1.00 0.00 N ATOM 904 CA GLY A 147 63.962 -8.244 6.078 1.00 0.00 C ATOM 905 C GLY A 147 62.768 -7.305 6.271 1.00 0.00 C ATOM 906 O GLY A 147 61.629 -7.702 6.122 1.00 0.00 O ATOM 0 H GLY A 147 65.977 -7.557 6.196 1.00 0.00 H new ATOM 0 HA2 GLY A 147 64.178 -8.357 5.016 1.00 0.00 H new ATOM 0 HA3 GLY A 147 63.720 -9.236 6.461 1.00 0.00 H new ATOM 910 N ARG A 148 63.010 -6.066 6.605 1.00 0.00 N ATOM 911 CA ARG A 148 61.874 -5.116 6.806 1.00 0.00 C ATOM 912 C ARG A 148 62.297 -3.686 6.450 1.00 0.00 C ATOM 913 O ARG A 148 63.343 -3.219 6.849 1.00 0.00 O ATOM 914 CB ARG A 148 61.532 -5.212 8.295 1.00 0.00 C ATOM 915 CG ARG A 148 60.989 -6.607 8.614 1.00 0.00 C ATOM 916 CD ARG A 148 60.703 -6.715 10.114 1.00 0.00 C ATOM 917 NE ARG A 148 61.132 -8.092 10.487 1.00 0.00 N ATOM 918 CZ ARG A 148 60.342 -9.106 10.261 1.00 0.00 C ATOM 919 NH1 ARG A 148 59.414 -9.416 11.125 1.00 0.00 N ATOM 920 NH2 ARG A 148 60.481 -9.811 9.171 1.00 0.00 N ATOM 0 H ARG A 148 63.939 -5.671 6.747 1.00 0.00 H new ATOM 0 HA ARG A 148 61.023 -5.361 6.171 1.00 0.00 H new ATOM 0 HB2 ARG A 148 62.420 -5.011 8.895 1.00 0.00 H new ATOM 0 HB3 ARG A 148 60.793 -4.455 8.557 1.00 0.00 H new ATOM 0 HG2 ARG A 148 60.078 -6.793 8.045 1.00 0.00 H new ATOM 0 HG3 ARG A 148 61.711 -7.367 8.315 1.00 0.00 H new ATOM 0 HD2 ARG A 148 61.256 -5.963 10.677 1.00 0.00 H new ATOM 0 HD3 ARG A 148 59.645 -6.559 10.327 1.00 0.00 H new ATOM 0 HE ARG A 148 62.044 -8.242 10.919 1.00 0.00 H new ATOM 0 HH11 ARG A 148 59.306 -8.866 11.977 1.00 0.00 H new ATOM 0 HH12 ARG A 148 58.797 -10.209 10.948 1.00 0.00 H new ATOM 0 HH21 ARG A 148 61.207 -9.569 8.496 1.00 0.00 H new ATOM 0 HH22 ARG A 148 59.864 -10.604 8.994 1.00 0.00 H new ATOM 934 N ILE A 149 61.484 -2.984 5.705 1.00 0.00 N ATOM 935 CA ILE A 149 61.836 -1.584 5.334 1.00 0.00 C ATOM 936 C ILE A 149 61.416 -0.628 6.456 1.00 0.00 C ATOM 937 O ILE A 149 60.316 -0.702 6.965 1.00 0.00 O ATOM 938 CB ILE A 149 61.046 -1.304 4.052 1.00 0.00 C ATOM 939 CG1 ILE A 149 61.793 -1.898 2.855 1.00 0.00 C ATOM 940 CG2 ILE A 149 60.897 0.208 3.852 1.00 0.00 C ATOM 941 CD1 ILE A 149 60.790 -2.283 1.765 1.00 0.00 C ATOM 0 H ILE A 149 60.593 -3.320 5.339 1.00 0.00 H new ATOM 0 HA ILE A 149 62.907 -1.445 5.184 1.00 0.00 H new ATOM 0 HB ILE A 149 60.058 -1.757 4.134 1.00 0.00 H new ATOM 0 HG12 ILE A 149 62.510 -1.175 2.465 1.00 0.00 H new ATOM 0 HG13 ILE A 149 62.362 -2.774 3.166 1.00 0.00 H new ATOM 0 HG21 ILE A 149 60.334 0.400 2.939 1.00 0.00 H new ATOM 0 HG22 ILE A 149 60.367 0.637 4.702 1.00 0.00 H new ATOM 0 HG23 ILE A 149 61.884 0.664 3.773 1.00 0.00 H new ATOM 0 HD11 ILE A 149 61.323 -2.706 0.913 1.00 0.00 H new ATOM 0 HD12 ILE A 149 60.091 -3.021 2.158 1.00 0.00 H new ATOM 0 HD13 ILE A 149 60.241 -1.397 1.446 1.00 0.00 H new ATOM 953 N ASP A 150 62.284 0.264 6.849 1.00 0.00 N ATOM 954 CA ASP A 150 61.929 1.217 7.942 1.00 0.00 C ATOM 955 C ASP A 150 61.828 2.644 7.396 1.00 0.00 C ATOM 956 O ASP A 150 61.845 2.868 6.202 1.00 0.00 O ATOM 957 CB ASP A 150 63.073 1.109 8.950 1.00 0.00 C ATOM 958 CG ASP A 150 64.333 1.747 8.365 1.00 0.00 C ATOM 959 OD1 ASP A 150 64.393 1.894 7.156 1.00 0.00 O ATOM 960 OD2 ASP A 150 65.219 2.079 9.137 1.00 0.00 O ATOM 0 H ASP A 150 63.221 0.375 6.463 1.00 0.00 H new ATOM 0 HA ASP A 150 60.964 0.983 8.392 1.00 0.00 H new ATOM 0 HB2 ASP A 150 62.800 1.607 9.880 1.00 0.00 H new ATOM 0 HB3 ASP A 150 63.261 0.063 9.191 1.00 0.00 H new ATOM 965 N PHE A 151 61.722 3.612 8.266 1.00 0.00 N ATOM 966 CA PHE A 151 61.619 5.026 7.805 1.00 0.00 C ATOM 967 C PHE A 151 62.853 5.408 6.982 1.00 0.00 C ATOM 968 O PHE A 151 62.748 5.826 5.846 1.00 0.00 O ATOM 969 CB PHE A 151 61.555 5.857 9.088 1.00 0.00 C ATOM 970 CG PHE A 151 60.116 6.177 9.413 1.00 0.00 C ATOM 971 CD1 PHE A 151 59.257 5.167 9.862 1.00 0.00 C ATOM 972 CD2 PHE A 151 59.640 7.486 9.268 1.00 0.00 C ATOM 973 CE1 PHE A 151 57.924 5.464 10.165 1.00 0.00 C ATOM 974 CE2 PHE A 151 58.306 7.783 9.571 1.00 0.00 C ATOM 975 CZ PHE A 151 57.448 6.773 10.019 1.00 0.00 C ATOM 0 H PHE A 151 61.702 3.484 9.278 1.00 0.00 H new ATOM 0 HA PHE A 151 60.750 5.189 7.168 1.00 0.00 H new ATOM 0 HB2 PHE A 151 62.011 5.308 9.912 1.00 0.00 H new ATOM 0 HB3 PHE A 151 62.124 6.778 8.965 1.00 0.00 H new ATOM 0 HD1 PHE A 151 59.624 4.157 9.975 1.00 0.00 H new ATOM 0 HD2 PHE A 151 60.302 8.266 8.922 1.00 0.00 H new ATOM 0 HE1 PHE A 151 57.262 4.684 10.511 1.00 0.00 H new ATOM 0 HE2 PHE A 151 57.939 8.793 9.459 1.00 0.00 H new ATOM 0 HZ PHE A 151 56.419 7.003 10.252 1.00 0.00 H new ATOM 985 N ASP A 152 64.021 5.267 7.547 1.00 0.00 N ATOM 986 CA ASP A 152 65.260 5.624 6.797 1.00 0.00 C ATOM 987 C ASP A 152 65.278 4.918 5.437 1.00 0.00 C ATOM 988 O ASP A 152 65.331 5.550 4.401 1.00 0.00 O ATOM 989 CB ASP A 152 66.410 5.127 7.673 1.00 0.00 C ATOM 990 CG ASP A 152 67.177 6.325 8.239 1.00 0.00 C ATOM 991 OD1 ASP A 152 66.540 7.197 8.805 1.00 0.00 O ATOM 992 OD2 ASP A 152 68.388 6.349 8.096 1.00 0.00 O ATOM 0 H ASP A 152 64.171 4.920 8.494 1.00 0.00 H new ATOM 0 HA ASP A 152 65.329 6.694 6.600 1.00 0.00 H new ATOM 0 HB2 ASP A 152 66.023 4.513 8.486 1.00 0.00 H new ATOM 0 HB3 ASP A 152 67.080 4.496 7.089 1.00 0.00 H new ATOM 997 N GLU A 153 65.233 3.614 5.433 1.00 0.00 N ATOM 998 CA GLU A 153 65.246 2.874 4.139 1.00 0.00 C ATOM 999 C GLU A 153 64.075 3.328 3.264 1.00 0.00 C ATOM 1000 O GLU A 153 64.233 3.604 2.091 1.00 0.00 O ATOM 1001 CB GLU A 153 65.098 1.400 4.518 1.00 0.00 C ATOM 1002 CG GLU A 153 66.250 0.987 5.437 1.00 0.00 C ATOM 1003 CD GLU A 153 65.842 -0.248 6.244 1.00 0.00 C ATOM 1004 OE1 GLU A 153 64.831 -0.842 5.910 1.00 0.00 O ATOM 1005 OE2 GLU A 153 66.549 -0.579 7.182 1.00 0.00 O ATOM 0 H GLU A 153 65.188 3.030 6.268 1.00 0.00 H new ATOM 0 HA GLU A 153 66.158 3.053 3.569 1.00 0.00 H new ATOM 0 HB2 GLU A 153 64.144 1.237 5.019 1.00 0.00 H new ATOM 0 HB3 GLU A 153 65.096 0.782 3.620 1.00 0.00 H new ATOM 0 HG2 GLU A 153 67.141 0.771 4.847 1.00 0.00 H new ATOM 0 HG3 GLU A 153 66.504 1.806 6.110 1.00 0.00 H new ATOM 1012 N PHE A 154 62.899 3.410 3.827 1.00 0.00 N ATOM 1013 CA PHE A 154 61.715 3.849 3.030 1.00 0.00 C ATOM 1014 C PHE A 154 62.052 5.112 2.233 1.00 0.00 C ATOM 1015 O PHE A 154 61.543 5.331 1.152 1.00 0.00 O ATOM 1016 CB PHE A 154 60.630 4.142 4.065 1.00 0.00 C ATOM 1017 CG PHE A 154 59.354 4.538 3.360 1.00 0.00 C ATOM 1018 CD1 PHE A 154 58.582 3.567 2.709 1.00 0.00 C ATOM 1019 CD2 PHE A 154 58.942 5.876 3.358 1.00 0.00 C ATOM 1020 CE1 PHE A 154 57.400 3.933 2.057 1.00 0.00 C ATOM 1021 CE2 PHE A 154 57.759 6.243 2.704 1.00 0.00 C ATOM 1022 CZ PHE A 154 56.988 5.272 2.054 1.00 0.00 C ATOM 0 H PHE A 154 62.706 3.192 4.805 1.00 0.00 H new ATOM 0 HA PHE A 154 61.399 3.095 2.309 1.00 0.00 H new ATOM 0 HB2 PHE A 154 60.457 3.262 4.685 1.00 0.00 H new ATOM 0 HB3 PHE A 154 60.954 4.942 4.730 1.00 0.00 H new ATOM 0 HD1 PHE A 154 58.900 2.535 2.711 1.00 0.00 H new ATOM 0 HD2 PHE A 154 59.536 6.625 3.861 1.00 0.00 H new ATOM 0 HE1 PHE A 154 56.805 3.184 1.556 1.00 0.00 H new ATOM 0 HE2 PHE A 154 57.442 7.275 2.701 1.00 0.00 H new ATOM 0 HZ PHE A 154 56.076 5.555 1.550 1.00 0.00 H new ATOM 1032 N LEU A 155 62.902 5.949 2.761 1.00 0.00 N ATOM 1033 CA LEU A 155 63.264 7.199 2.032 1.00 0.00 C ATOM 1034 C LEU A 155 64.223 6.891 0.879 1.00 0.00 C ATOM 1035 O LEU A 155 64.012 7.306 -0.241 1.00 0.00 O ATOM 1036 CB LEU A 155 63.949 8.081 3.075 1.00 0.00 C ATOM 1037 CG LEU A 155 62.934 8.500 4.138 1.00 0.00 C ATOM 1038 CD1 LEU A 155 63.669 8.905 5.417 1.00 0.00 C ATOM 1039 CD2 LEU A 155 62.118 9.687 3.621 1.00 0.00 C ATOM 0 H LEU A 155 63.361 5.823 3.663 1.00 0.00 H new ATOM 0 HA LEU A 155 62.392 7.683 1.593 1.00 0.00 H new ATOM 0 HB2 LEU A 155 64.774 7.540 3.539 1.00 0.00 H new ATOM 0 HB3 LEU A 155 64.375 8.963 2.597 1.00 0.00 H new ATOM 0 HG LEU A 155 62.268 7.665 4.353 1.00 0.00 H new ATOM 0 HD11 LEU A 155 62.944 9.204 6.174 1.00 0.00 H new ATOM 0 HD12 LEU A 155 64.251 8.060 5.785 1.00 0.00 H new ATOM 0 HD13 LEU A 155 64.336 9.740 5.204 1.00 0.00 H new ATOM 0 HD21 LEU A 155 61.393 9.988 4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 155 62.786 10.521 3.406 1.00 0.00 H new ATOM 0 HD23 LEU A 155 61.593 9.399 2.710 1.00 0.00 H new ATOM 1051 N LYS A 156 65.280 6.176 1.146 1.00 0.00 N ATOM 1052 CA LYS A 156 66.257 5.854 0.064 1.00 0.00 C ATOM 1053 C LYS A 156 65.602 5.004 -1.031 1.00 0.00 C ATOM 1054 O LYS A 156 65.719 5.293 -2.206 1.00 0.00 O ATOM 1055 CB LYS A 156 67.365 5.063 0.761 1.00 0.00 C ATOM 1056 CG LYS A 156 68.688 5.274 0.021 1.00 0.00 C ATOM 1057 CD LYS A 156 68.754 4.335 -1.185 1.00 0.00 C ATOM 1058 CE LYS A 156 69.630 3.127 -0.843 1.00 0.00 C ATOM 1059 NZ LYS A 156 71.001 3.512 -1.280 1.00 0.00 N ATOM 0 H LYS A 156 65.511 5.800 2.066 1.00 0.00 H new ATOM 0 HA LYS A 156 66.632 6.753 -0.426 1.00 0.00 H new ATOM 0 HB2 LYS A 156 67.460 5.387 1.797 1.00 0.00 H new ATOM 0 HB3 LYS A 156 67.112 4.003 0.780 1.00 0.00 H new ATOM 0 HG2 LYS A 156 68.772 6.310 -0.307 1.00 0.00 H new ATOM 0 HG3 LYS A 156 69.526 5.082 0.691 1.00 0.00 H new ATOM 0 HD2 LYS A 156 67.752 4.005 -1.458 1.00 0.00 H new ATOM 0 HD3 LYS A 156 69.162 4.862 -2.048 1.00 0.00 H new ATOM 0 HE2 LYS A 156 69.602 2.908 0.225 1.00 0.00 H new ATOM 0 HE3 LYS A 156 69.287 2.231 -1.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 71.661 2.734 -1.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 70.998 3.708 -2.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 71.303 4.364 -0.765 1.00 0.00 H new ATOM 1073 N MET A 157 64.927 3.953 -0.658 1.00 0.00 N ATOM 1074 CA MET A 157 64.279 3.078 -1.682 1.00 0.00 C ATOM 1075 C MET A 157 63.575 3.911 -2.759 1.00 0.00 C ATOM 1076 O MET A 157 63.721 3.658 -3.937 1.00 0.00 O ATOM 1077 CB MET A 157 63.260 2.230 -0.915 1.00 0.00 C ATOM 1078 CG MET A 157 62.526 3.084 0.122 1.00 0.00 C ATOM 1079 SD MET A 157 60.763 3.138 -0.288 1.00 0.00 S ATOM 1080 CE MET A 157 60.320 1.530 0.412 1.00 0.00 C ATOM 0 H MET A 157 64.794 3.660 0.310 1.00 0.00 H new ATOM 0 HA MET A 157 65.017 2.464 -2.198 1.00 0.00 H new ATOM 0 HB2 MET A 157 62.542 1.795 -1.611 1.00 0.00 H new ATOM 0 HB3 MET A 157 63.766 1.401 -0.420 1.00 0.00 H new ATOM 0 HG2 MET A 157 62.667 2.667 1.119 1.00 0.00 H new ATOM 0 HG3 MET A 157 62.939 4.093 0.137 1.00 0.00 H new ATOM 0 HE1 MET A 157 59.383 1.618 0.961 1.00 0.00 H new ATOM 0 HE2 MET A 157 60.203 0.803 -0.392 1.00 0.00 H new ATOM 0 HE3 MET A 157 61.107 1.198 1.089 1.00 0.00 H new ATOM 1090 N MET A 158 62.800 4.888 -2.365 1.00 0.00 N ATOM 1091 CA MET A 158 62.075 5.723 -3.371 1.00 0.00 C ATOM 1092 C MET A 158 62.965 5.993 -4.591 1.00 0.00 C ATOM 1093 O MET A 158 62.486 6.161 -5.695 1.00 0.00 O ATOM 1094 CB MET A 158 61.713 7.024 -2.631 1.00 0.00 C ATOM 1095 CG MET A 158 62.818 8.077 -2.797 1.00 0.00 C ATOM 1096 SD MET A 158 62.224 9.674 -2.186 1.00 0.00 S ATOM 1097 CE MET A 158 62.490 9.366 -0.422 1.00 0.00 C ATOM 0 H MET A 158 62.637 5.144 -1.391 1.00 0.00 H new ATOM 0 HA MET A 158 61.184 5.227 -3.756 1.00 0.00 H new ATOM 0 HB2 MET A 158 60.772 7.416 -3.016 1.00 0.00 H new ATOM 0 HB3 MET A 158 61.562 6.814 -1.572 1.00 0.00 H new ATOM 0 HG2 MET A 158 63.710 7.774 -2.248 1.00 0.00 H new ATOM 0 HG3 MET A 158 63.102 8.160 -3.846 1.00 0.00 H new ATOM 0 HE1 MET A 158 62.039 10.170 0.160 1.00 0.00 H new ATOM 0 HE2 MET A 158 62.032 8.417 -0.145 1.00 0.00 H new ATOM 0 HE3 MET A 158 63.560 9.326 -0.217 1.00 0.00 H new