USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 428 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 21 ASN : amide:sc= -1.67! X(o=-4.4!,f=-4.1) USER MOD Set 1.2: A 52 ASN : amide:sc= -2.73! C(o=-4.4!,f=-11!) USER MOD Set 2.1: A 26 GLN :FLIP amide:sc= -0.261 F(o=-4.6,f=-3.5) USER MOD Set 2.2: A 55 GLN : amide:sc= -3.24! C(o=-3.5!,f=-5.8!) USER MOD Single : A 4 LYS NZ :NH3+ -168:sc=-0.00419 (180deg=-0.174) USER MOD Single : A 6 ASN : amide:sc=-0.00439 K(o=-0.0044,f=-1.4) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 168:sc= -10! (180deg=-10.4!) USER MOD Single : A 23 ASN : amide:sc= -0.381 K(o=-0.38,f=-10!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.46 K(o=-0.46,f=-5.3!) USER MOD Single : A 33 SER OG : rot 67:sc= 0.864 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN :FLIP amide:sc= -0.0702 F(o=-0.91,f=-0.07) USER MOD Single : A 41 SER OG : rot -80:sc= -1.07 USER MOD Single : A 43 ASN :FLIP amide:sc= -0.0131 F(o=-1.5,f=-0.013) USER MOD Single : A 49 LYS NZ :NH3+ -148:sc= 0.364 (180deg=0.0584) USER MOD Single : A 50 LYS NZ :NH3+ -178:sc= -1.17 (180deg=-1.21) USER MOD ----------------------------------------------------------------- ATOM 45 N LYS A 4 -0.795 -13.066 9.238 1.00 0.00 N ATOM 46 CA LYS A 4 0.381 -12.615 8.499 1.00 0.00 C ATOM 47 C LYS A 4 0.119 -11.260 7.855 1.00 0.00 C ATOM 48 O LYS A 4 0.945 -10.748 7.095 1.00 0.00 O ATOM 49 CB LYS A 4 0.761 -13.631 7.416 1.00 0.00 C ATOM 50 CG LYS A 4 1.031 -15.001 8.055 1.00 0.00 C ATOM 51 CD LYS A 4 1.526 -15.982 6.983 1.00 0.00 C ATOM 52 CE LYS A 4 1.670 -17.383 7.587 1.00 0.00 C ATOM 53 NZ LYS A 4 2.782 -17.387 8.581 1.00 0.00 N ATOM 0 HA LYS A 4 1.207 -12.522 9.205 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -0.043 -13.713 6.685 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.646 -13.290 6.880 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.776 -14.904 8.845 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.121 -15.382 8.519 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.826 -16.006 6.148 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.484 -15.647 6.585 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.738 -17.680 8.068 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.869 -18.111 6.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.014 -18.368 8.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.620 -16.931 8.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.489 -16.866 9.432 1.00 0.00 H new ATOM 67 N PHE A 5 -1.045 -10.697 8.158 1.00 0.00 N ATOM 68 CA PHE A 5 -1.443 -9.416 7.604 1.00 0.00 C ATOM 69 C PHE A 5 -0.456 -8.313 7.925 1.00 0.00 C ATOM 70 O PHE A 5 0.032 -7.641 7.028 1.00 0.00 O ATOM 71 CB PHE A 5 -2.759 -8.982 8.237 1.00 0.00 C ATOM 72 CG PHE A 5 -3.952 -9.600 7.558 1.00 0.00 C ATOM 73 CD1 PHE A 5 -3.965 -10.965 7.235 1.00 0.00 C ATOM 74 CD2 PHE A 5 -5.062 -8.796 7.269 1.00 0.00 C ATOM 75 CE1 PHE A 5 -5.096 -11.517 6.618 1.00 0.00 C ATOM 76 CE2 PHE A 5 -6.186 -9.346 6.656 1.00 0.00 C ATOM 77 CZ PHE A 5 -6.206 -10.702 6.329 1.00 0.00 C ATOM 0 H PHE A 5 -1.730 -11.113 8.788 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.509 -9.556 6.525 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.761 -9.258 9.291 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.840 -7.896 8.192 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.110 -11.586 7.460 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.047 -7.746 7.522 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.115 -12.567 6.365 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.040 -8.724 6.434 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.077 -11.128 5.852 1.00 0.00 H new ATOM 87 N ASN A 6 -0.210 -8.104 9.218 1.00 0.00 N ATOM 88 CA ASN A 6 0.670 -7.027 9.647 1.00 0.00 C ATOM 89 C ASN A 6 2.056 -7.152 9.051 1.00 0.00 C ATOM 90 O ASN A 6 2.578 -6.182 8.525 1.00 0.00 O ATOM 91 CB ASN A 6 0.774 -7.004 11.169 1.00 0.00 C ATOM 92 CG ASN A 6 -0.562 -6.607 11.801 1.00 0.00 C ATOM 93 OD1 ASN A 6 -1.502 -6.219 11.102 1.00 0.00 O ATOM 94 ND2 ASN A 6 -0.702 -6.671 13.096 1.00 0.00 N ATOM 0 H ASN A 6 -0.604 -8.661 9.976 1.00 0.00 H new ATOM 0 HA ASN A 6 0.232 -6.095 9.290 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.075 -7.987 11.532 1.00 0.00 H new ATOM 0 HB3 ASN A 6 1.549 -6.301 11.474 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -1.586 -6.401 13.527 1.00 0.00 H new ATOM 0 HD22 ASN A 6 0.072 -6.991 13.677 1.00 0.00 H new ATOM 101 N LYS A 7 2.638 -8.343 9.115 1.00 0.00 N ATOM 102 CA LYS A 7 3.968 -8.556 8.566 1.00 0.00 C ATOM 103 C LYS A 7 3.984 -8.251 7.075 1.00 0.00 C ATOM 104 O LYS A 7 4.918 -7.630 6.572 1.00 0.00 O ATOM 105 CB LYS A 7 4.414 -9.994 8.834 1.00 0.00 C ATOM 106 CG LYS A 7 5.839 -10.234 8.300 1.00 0.00 C ATOM 107 CD LYS A 7 6.869 -9.478 9.160 1.00 0.00 C ATOM 108 CE LYS A 7 7.300 -8.185 8.455 1.00 0.00 C ATOM 109 NZ LYS A 7 8.542 -7.663 9.091 1.00 0.00 N ATOM 0 H LYS A 7 2.213 -9.168 9.538 1.00 0.00 H new ATOM 0 HA LYS A 7 4.668 -7.878 9.054 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.384 -10.195 9.905 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.721 -10.689 8.359 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.062 -11.301 8.308 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.907 -9.902 7.264 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.439 -9.244 10.134 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.738 -10.110 9.339 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.474 -8.376 7.396 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.506 -7.441 8.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.835 -6.787 8.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.361 -7.466 10.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.299 -8.372 9.008 1.00 0.00 H new ATOM 123 N GLU A 8 2.928 -8.666 6.384 1.00 0.00 N ATOM 124 CA GLU A 8 2.805 -8.419 4.955 1.00 0.00 C ATOM 125 C GLU A 8 2.507 -6.938 4.711 1.00 0.00 C ATOM 126 O GLU A 8 2.964 -6.344 3.735 1.00 0.00 O ATOM 127 CB GLU A 8 1.683 -9.317 4.423 1.00 0.00 C ATOM 128 CG GLU A 8 1.548 -9.170 2.909 1.00 0.00 C ATOM 129 CD GLU A 8 0.981 -10.450 2.279 1.00 0.00 C ATOM 130 OE1 GLU A 8 0.116 -11.066 2.885 1.00 0.00 O ATOM 131 OE2 GLU A 8 1.409 -10.785 1.187 1.00 0.00 O ATOM 0 H GLU A 8 2.145 -9.176 6.793 1.00 0.00 H new ATOM 0 HA GLU A 8 3.732 -8.652 4.432 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.892 -10.357 4.676 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.741 -9.055 4.905 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.896 -8.328 2.679 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.522 -8.947 2.474 1.00 0.00 H new ATOM 138 N ARG A 9 1.743 -6.369 5.636 1.00 0.00 N ATOM 139 CA ARG A 9 1.350 -4.976 5.602 1.00 0.00 C ATOM 140 C ARG A 9 2.504 -4.045 5.934 1.00 0.00 C ATOM 141 O ARG A 9 2.551 -2.957 5.415 1.00 0.00 O ATOM 142 CB ARG A 9 0.192 -4.729 6.574 1.00 0.00 C ATOM 143 CG ARG A 9 -1.115 -5.230 5.947 1.00 0.00 C ATOM 144 CD ARG A 9 -2.195 -5.381 7.017 1.00 0.00 C ATOM 145 NE ARG A 9 -2.533 -4.077 7.581 1.00 0.00 N ATOM 146 CZ ARG A 9 -3.725 -3.527 7.390 1.00 0.00 C ATOM 147 NH1 ARG A 9 -4.733 -3.883 8.133 1.00 0.00 N ATOM 148 NH2 ARG A 9 -3.884 -2.631 6.460 1.00 0.00 N ATOM 0 H ARG A 9 1.376 -6.876 6.442 1.00 0.00 H new ATOM 0 HA ARG A 9 1.030 -4.757 4.583 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.377 -5.245 7.516 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.115 -3.666 6.802 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.449 -4.531 5.180 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.946 -6.187 5.454 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.084 -5.840 6.584 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.845 -6.047 7.806 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.837 -3.578 8.134 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.606 -4.585 8.862 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -5.649 -3.460 7.986 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -3.093 -2.353 5.879 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.800 -2.207 6.312 1.00 0.00 H new ATOM 162 N VAL A 10 3.417 -4.465 6.815 1.00 0.00 N ATOM 163 CA VAL A 10 4.550 -3.606 7.201 1.00 0.00 C ATOM 164 C VAL A 10 5.364 -3.319 5.973 1.00 0.00 C ATOM 165 O VAL A 10 5.757 -2.188 5.680 1.00 0.00 O ATOM 166 CB VAL A 10 5.510 -4.283 8.198 1.00 0.00 C ATOM 167 CG1 VAL A 10 6.563 -3.254 8.656 1.00 0.00 C ATOM 168 CG2 VAL A 10 4.766 -4.841 9.412 1.00 0.00 C ATOM 0 H VAL A 10 3.399 -5.378 7.270 1.00 0.00 H new ATOM 0 HA VAL A 10 4.125 -2.716 7.665 1.00 0.00 H new ATOM 0 HB VAL A 10 5.992 -5.122 7.696 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.248 -3.724 9.362 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.122 -2.897 7.792 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.064 -2.413 9.138 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.478 -5.310 10.091 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.252 -4.030 9.928 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.037 -5.581 9.083 1.00 0.00 H new ATOM 178 N ILE A 11 5.616 -4.397 5.279 1.00 0.00 N ATOM 179 CA ILE A 11 6.381 -4.374 4.074 1.00 0.00 C ATOM 180 C ILE A 11 5.683 -3.502 3.047 1.00 0.00 C ATOM 181 O ILE A 11 6.293 -2.652 2.410 1.00 0.00 O ATOM 182 CB ILE A 11 6.467 -5.813 3.566 1.00 0.00 C ATOM 183 CG1 ILE A 11 7.154 -6.696 4.627 1.00 0.00 C ATOM 184 CG2 ILE A 11 7.244 -5.865 2.252 1.00 0.00 C ATOM 185 CD1 ILE A 11 6.951 -8.173 4.268 1.00 0.00 C ATOM 0 H ILE A 11 5.288 -5.326 5.544 1.00 0.00 H new ATOM 0 HA ILE A 11 7.377 -3.968 4.249 1.00 0.00 H new ATOM 0 HB ILE A 11 5.460 -6.189 3.386 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.218 -6.465 4.675 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.738 -6.489 5.613 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.298 -6.896 1.902 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.737 -5.254 1.505 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.252 -5.483 2.410 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.436 -8.799 5.017 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.885 -8.398 4.242 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.388 -8.373 3.290 1.00 0.00 H new ATOM 197 N ALA A 12 4.397 -3.762 2.901 1.00 0.00 N ATOM 198 CA ALA A 12 3.559 -3.069 1.943 1.00 0.00 C ATOM 199 C ALA A 12 3.250 -1.629 2.325 1.00 0.00 C ATOM 200 O ALA A 12 3.385 -0.729 1.501 1.00 0.00 O ATOM 201 CB ALA A 12 2.273 -3.843 1.843 1.00 0.00 C ATOM 0 H ALA A 12 3.902 -4.466 3.449 1.00 0.00 H new ATOM 0 HA ALA A 12 4.096 -3.017 0.996 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.609 -3.355 1.129 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.484 -4.858 1.506 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.792 -3.878 2.821 1.00 0.00 H new ATOM 207 N ILE A 13 2.846 -1.407 3.572 1.00 0.00 N ATOM 208 CA ILE A 13 2.546 -0.069 4.029 1.00 0.00 C ATOM 209 C ILE A 13 3.811 0.749 3.911 1.00 0.00 C ATOM 210 O ILE A 13 3.788 1.905 3.528 1.00 0.00 O ATOM 211 CB ILE A 13 2.058 -0.089 5.491 1.00 0.00 C ATOM 212 CG1 ILE A 13 1.493 1.299 5.846 1.00 0.00 C ATOM 213 CG2 ILE A 13 3.218 -0.463 6.437 1.00 0.00 C ATOM 214 CD1 ILE A 13 1.887 1.706 7.265 1.00 0.00 C ATOM 0 H ILE A 13 2.722 -2.136 4.274 1.00 0.00 H new ATOM 0 HA ILE A 13 1.750 0.365 3.423 1.00 0.00 H new ATOM 0 HB ILE A 13 1.275 -0.839 5.608 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.863 2.038 5.136 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.407 1.287 5.756 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.859 -0.473 7.466 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.597 -1.451 6.175 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.018 0.271 6.339 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.475 2.690 7.489 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.494 0.978 7.975 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.973 1.741 7.345 1.00 0.00 H new ATOM 226 N GLY A 14 4.920 0.096 4.221 1.00 0.00 N ATOM 227 CA GLY A 14 6.211 0.714 4.142 1.00 0.00 C ATOM 228 C GLY A 14 6.521 1.041 2.688 1.00 0.00 C ATOM 229 O GLY A 14 7.094 2.092 2.393 1.00 0.00 O ATOM 0 H GLY A 14 4.938 -0.875 4.533 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.230 1.623 4.744 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.972 0.047 4.548 1.00 0.00 H new ATOM 233 N GLU A 15 6.111 0.142 1.771 1.00 0.00 N ATOM 234 CA GLU A 15 6.338 0.376 0.353 1.00 0.00 C ATOM 235 C GLU A 15 5.454 1.516 -0.141 1.00 0.00 C ATOM 236 O GLU A 15 5.898 2.404 -0.868 1.00 0.00 O ATOM 237 CB GLU A 15 5.944 -0.870 -0.455 1.00 0.00 C ATOM 238 CG GLU A 15 6.914 -2.032 -0.217 1.00 0.00 C ATOM 239 CD GLU A 15 7.785 -2.253 -1.457 1.00 0.00 C ATOM 240 OE1 GLU A 15 7.273 -2.772 -2.438 1.00 0.00 O ATOM 241 OE2 GLU A 15 8.949 -1.891 -1.412 1.00 0.00 O ATOM 0 H GLU A 15 5.632 -0.731 1.991 1.00 0.00 H new ATOM 0 HA GLU A 15 7.393 0.614 0.220 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.935 -1.177 -0.181 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.925 -0.624 -1.517 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.544 -1.819 0.646 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.356 -2.940 0.012 1.00 0.00 H new ATOM 248 N ILE A 16 4.184 1.441 0.244 1.00 0.00 N ATOM 249 CA ILE A 16 3.190 2.419 -0.159 1.00 0.00 C ATOM 250 C ILE A 16 3.373 3.786 0.506 1.00 0.00 C ATOM 251 O ILE A 16 3.198 4.825 -0.129 1.00 0.00 O ATOM 252 CB ILE A 16 1.802 1.813 0.060 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.611 0.794 -1.066 1.00 0.00 C ATOM 254 CG2 ILE A 16 0.668 2.862 0.017 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.448 -0.123 -0.769 1.00 0.00 C ATOM 0 H ILE A 16 3.819 0.700 0.843 1.00 0.00 H new ATOM 0 HA ILE A 16 3.317 2.638 -1.219 1.00 0.00 H new ATOM 0 HB ILE A 16 1.749 1.365 1.052 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.438 1.315 -2.008 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.521 0.206 -1.189 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.290 2.369 0.179 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.830 3.605 0.798 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.663 3.353 -0.956 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.332 -0.838 -1.583 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.636 -0.659 0.161 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.464 0.466 -0.671 1.00 0.00 H new ATOM 267 N MET A 17 3.714 3.780 1.785 1.00 0.00 N ATOM 268 CA MET A 17 3.914 5.023 2.524 1.00 0.00 C ATOM 269 C MET A 17 5.123 5.789 1.971 1.00 0.00 C ATOM 270 O MET A 17 5.238 7.001 2.160 1.00 0.00 O ATOM 271 CB MET A 17 4.087 4.721 4.022 1.00 0.00 C ATOM 272 CG MET A 17 2.733 4.297 4.622 1.00 0.00 C ATOM 273 SD MET A 17 1.599 5.702 4.719 1.00 0.00 S ATOM 274 CE MET A 17 0.056 4.739 4.680 1.00 0.00 C ATOM 0 H MET A 17 3.858 2.933 2.334 1.00 0.00 H new ATOM 0 HA MET A 17 3.035 5.655 2.400 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.822 3.929 4.161 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.466 5.602 4.540 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.291 3.510 4.011 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.887 3.880 5.617 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.782 5.384 4.942 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.096 4.336 3.679 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.121 3.919 5.395 1.00 0.00 H new ATOM 284 N ARG A 18 6.008 5.069 1.268 1.00 0.00 N ATOM 285 CA ARG A 18 7.197 5.668 0.664 1.00 0.00 C ATOM 286 C ARG A 18 6.805 6.578 -0.497 1.00 0.00 C ATOM 287 O ARG A 18 7.445 7.602 -0.745 1.00 0.00 O ATOM 288 CB ARG A 18 8.115 4.548 0.155 1.00 0.00 C ATOM 289 CG ARG A 18 9.359 5.134 -0.524 1.00 0.00 C ATOM 290 CD ARG A 18 10.209 3.994 -1.087 1.00 0.00 C ATOM 291 NE ARG A 18 11.456 4.517 -1.637 1.00 0.00 N ATOM 292 CZ ARG A 18 12.200 3.794 -2.466 1.00 0.00 C ATOM 293 NH1 ARG A 18 12.934 2.823 -2.003 1.00 0.00 N ATOM 294 NH2 ARG A 18 12.195 4.057 -3.741 1.00 0.00 N ATOM 0 H ARG A 18 5.918 4.066 1.105 1.00 0.00 H new ATOM 0 HA ARG A 18 7.717 6.266 1.412 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.415 3.910 0.987 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.572 3.918 -0.550 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.065 5.814 -1.324 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.939 5.716 0.192 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.425 3.270 -0.301 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.654 3.466 -1.863 1.00 0.00 H new ATOM 0 HE ARG A 18 11.762 5.456 -1.380 1.00 0.00 H new ATOM 0 HH11 ARG A 18 12.937 2.618 -1.004 1.00 0.00 H new ATOM 0 HH12 ARG A 18 13.506 2.268 -2.640 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.620 4.818 -4.103 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.766 3.502 -4.378 1.00 0.00 H new ATOM 308 N LEU A 19 5.761 6.162 -1.211 1.00 0.00 N ATOM 309 CA LEU A 19 5.253 6.876 -2.377 1.00 0.00 C ATOM 310 C LEU A 19 5.153 8.392 -2.129 1.00 0.00 C ATOM 311 O LEU A 19 4.295 8.851 -1.374 1.00 0.00 O ATOM 312 CB LEU A 19 3.895 6.279 -2.741 1.00 0.00 C ATOM 313 CG LEU A 19 4.046 4.747 -2.863 1.00 0.00 C ATOM 314 CD1 LEU A 19 2.699 4.079 -3.146 1.00 0.00 C ATOM 315 CD2 LEU A 19 5.047 4.433 -3.976 1.00 0.00 C ATOM 0 H LEU A 19 5.240 5.312 -0.993 1.00 0.00 H new ATOM 0 HA LEU A 19 5.949 6.756 -3.207 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.156 6.527 -1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.537 6.700 -3.681 1.00 0.00 H new ATOM 0 HG LEU A 19 4.413 4.350 -1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.837 3.001 -3.227 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.007 4.296 -2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.292 4.463 -4.081 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.160 3.353 -4.070 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.684 4.843 -4.918 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.012 4.879 -3.734 1.00 0.00 H new ATOM 327 N PRO A 20 6.051 9.160 -2.730 1.00 0.00 N ATOM 328 CA PRO A 20 6.109 10.645 -2.554 1.00 0.00 C ATOM 329 C PRO A 20 5.018 11.411 -3.304 1.00 0.00 C ATOM 330 O PRO A 20 4.848 12.611 -3.074 1.00 0.00 O ATOM 331 CB PRO A 20 7.466 11.058 -3.153 1.00 0.00 C ATOM 332 CG PRO A 20 8.116 9.826 -3.700 1.00 0.00 C ATOM 333 CD PRO A 20 7.106 8.686 -3.641 1.00 0.00 C ATOM 0 HA PRO A 20 5.972 10.881 -1.499 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.327 11.799 -3.940 1.00 0.00 H new ATOM 0 HB3 PRO A 20 8.096 11.517 -2.391 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.441 9.992 -4.727 1.00 0.00 H new ATOM 0 HG3 PRO A 20 9.005 9.576 -3.121 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.704 8.463 -4.629 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.566 7.770 -3.270 1.00 0.00 H new ATOM 341 N ASN A 21 4.330 10.753 -4.238 1.00 0.00 N ATOM 342 CA ASN A 21 3.326 11.459 -5.044 1.00 0.00 C ATOM 343 C ASN A 21 1.936 11.352 -4.451 1.00 0.00 C ATOM 344 O ASN A 21 1.279 12.362 -4.213 1.00 0.00 O ATOM 345 CB ASN A 21 3.347 10.916 -6.480 1.00 0.00 C ATOM 346 CG ASN A 21 4.768 11.030 -7.041 1.00 0.00 C ATOM 347 OD1 ASN A 21 5.578 11.815 -6.544 1.00 0.00 O ATOM 348 ND2 ASN A 21 5.121 10.300 -8.049 1.00 0.00 N ATOM 0 H ASN A 21 4.441 9.762 -4.453 1.00 0.00 H new ATOM 0 HA ASN A 21 3.584 12.518 -5.050 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.020 9.876 -6.493 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.651 11.477 -7.104 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.065 10.376 -8.428 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.455 9.648 -8.465 1.00 0.00 H new ATOM 355 N LEU A 22 1.496 10.129 -4.226 1.00 0.00 N ATOM 356 CA LEU A 22 0.167 9.872 -3.679 1.00 0.00 C ATOM 357 C LEU A 22 -0.169 10.759 -2.500 1.00 0.00 C ATOM 358 O LEU A 22 0.699 11.129 -1.706 1.00 0.00 O ATOM 359 CB LEU A 22 0.091 8.430 -3.212 1.00 0.00 C ATOM 360 CG LEU A 22 0.211 7.515 -4.416 1.00 0.00 C ATOM 361 CD1 LEU A 22 0.724 6.165 -3.959 1.00 0.00 C ATOM 362 CD2 LEU A 22 -1.158 7.357 -5.062 1.00 0.00 C ATOM 0 H LEU A 22 2.041 9.287 -4.414 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.547 10.082 -4.476 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.890 8.222 -2.500 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.852 8.251 -2.695 1.00 0.00 H new ATOM 0 HG LEU A 22 0.904 7.939 -5.143 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.814 5.500 -4.818 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.701 6.286 -3.491 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.027 5.736 -3.239 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.078 6.700 -5.928 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.852 6.925 -4.342 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.525 8.333 -5.379 1.00 0.00 H new ATOM 374 N ASN A 23 -1.460 11.031 -2.365 1.00 0.00 N ATOM 375 CA ASN A 23 -1.954 11.807 -1.247 1.00 0.00 C ATOM 376 C ASN A 23 -2.183 10.831 -0.118 1.00 0.00 C ATOM 377 O ASN A 23 -2.287 9.626 -0.362 1.00 0.00 O ATOM 378 CB ASN A 23 -3.252 12.534 -1.623 1.00 0.00 C ATOM 379 CG ASN A 23 -4.158 11.613 -2.434 1.00 0.00 C ATOM 380 OD1 ASN A 23 -4.800 10.731 -1.875 1.00 0.00 O ATOM 381 ND2 ASN A 23 -4.236 11.758 -3.727 1.00 0.00 N ATOM 0 H ASN A 23 -2.180 10.724 -3.018 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.241 12.577 -0.954 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.768 12.861 -0.720 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.021 13.429 -2.200 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.832 11.137 -4.275 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.701 12.492 -4.191 1.00 0.00 H new ATOM 388 N SER A 24 -2.235 11.322 1.105 1.00 0.00 N ATOM 389 CA SER A 24 -2.415 10.431 2.236 1.00 0.00 C ATOM 390 C SER A 24 -3.593 9.499 2.027 1.00 0.00 C ATOM 391 O SER A 24 -3.540 8.359 2.427 1.00 0.00 O ATOM 392 CB SER A 24 -2.627 11.212 3.517 1.00 0.00 C ATOM 393 OG SER A 24 -3.745 12.078 3.372 1.00 0.00 O ATOM 0 H SER A 24 -2.157 12.312 1.339 1.00 0.00 H new ATOM 0 HA SER A 24 -1.504 9.839 2.319 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.791 10.527 4.349 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.734 11.791 3.753 1.00 0.00 H new ATOM 0 HG SER A 24 -3.880 12.580 4.203 1.00 0.00 H new ATOM 399 N LEU A 25 -4.647 9.983 1.394 1.00 0.00 N ATOM 400 CA LEU A 25 -5.818 9.155 1.164 1.00 0.00 C ATOM 401 C LEU A 25 -5.479 7.981 0.293 1.00 0.00 C ATOM 402 O LEU A 25 -5.821 6.868 0.633 1.00 0.00 O ATOM 403 CB LEU A 25 -6.905 9.954 0.476 1.00 0.00 C ATOM 404 CG LEU A 25 -7.215 11.243 1.246 1.00 0.00 C ATOM 405 CD1 LEU A 25 -6.215 12.354 0.887 1.00 0.00 C ATOM 406 CD2 LEU A 25 -8.607 11.696 0.845 1.00 0.00 C ATOM 0 H LEU A 25 -4.717 10.935 1.033 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.167 8.805 2.136 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.593 10.199 -0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.808 9.350 0.394 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.146 11.050 2.317 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.458 13.257 1.447 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.205 12.030 1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.272 12.563 -0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.858 12.614 1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.634 11.880 -0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.329 10.920 1.099 1.00 0.00 H new ATOM 418 N GLN A 26 -4.791 8.235 -0.813 1.00 0.00 N ATOM 419 CA GLN A 26 -4.394 7.160 -1.698 1.00 0.00 C ATOM 420 C GLN A 26 -3.418 6.269 -0.987 1.00 0.00 C ATOM 421 O GLN A 26 -3.529 5.053 -1.013 1.00 0.00 O ATOM 422 CB GLN A 26 -3.738 7.707 -2.940 1.00 0.00 C ATOM 423 CG GLN A 26 -4.805 8.281 -3.866 1.00 0.00 C ATOM 424 CD GLN A 26 -5.619 7.152 -4.497 1.00 0.00 C ATOM 425 OE1 GLN A 26 -5.059 6.372 -5.378 1.00 0.00 O flip ATOM 426 NE2 GLN A 26 -6.792 6.975 -4.172 1.00 0.00 N flip ATOM 0 H GLN A 26 -4.502 9.166 -1.112 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.284 6.599 -1.984 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.018 8.481 -2.673 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.185 6.918 -3.450 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.464 8.945 -3.306 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.336 8.881 -4.646 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.228 7.587 -3.482 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.329 6.216 -4.592 1.00 0.00 H new ATOM 435 N VAL A 27 -2.488 6.914 -0.308 1.00 0.00 N ATOM 436 CA VAL A 27 -1.483 6.224 0.462 1.00 0.00 C ATOM 437 C VAL A 27 -2.188 5.332 1.468 1.00 0.00 C ATOM 438 O VAL A 27 -1.842 4.166 1.654 1.00 0.00 O ATOM 439 CB VAL A 27 -0.639 7.302 1.173 1.00 0.00 C ATOM 440 CG1 VAL A 27 0.151 6.734 2.344 1.00 0.00 C ATOM 441 CG2 VAL A 27 0.341 7.936 0.179 1.00 0.00 C ATOM 0 H VAL A 27 -2.412 7.931 -0.278 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.836 5.603 -0.158 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.332 8.049 1.559 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.729 7.530 2.813 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.537 6.307 3.074 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.827 5.958 1.985 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.934 8.696 0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.002 7.167 -0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.216 8.396 -0.638 1.00 0.00 H new ATOM 451 N VAL A 28 -3.209 5.905 2.076 1.00 0.00 N ATOM 452 CA VAL A 28 -4.038 5.201 3.042 1.00 0.00 C ATOM 453 C VAL A 28 -4.942 4.197 2.359 1.00 0.00 C ATOM 454 O VAL A 28 -5.238 3.130 2.895 1.00 0.00 O ATOM 455 CB VAL A 28 -4.807 6.171 3.916 1.00 0.00 C ATOM 456 CG1 VAL A 28 -5.615 5.370 4.940 1.00 0.00 C ATOM 457 CG2 VAL A 28 -3.779 7.036 4.650 1.00 0.00 C ATOM 0 H VAL A 28 -3.489 6.873 1.916 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.382 4.635 3.703 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.481 6.790 3.324 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.175 6.054 5.578 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.309 4.709 4.420 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.938 4.775 5.553 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.296 7.750 5.292 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.136 6.400 5.259 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.172 7.575 3.923 1.00 0.00 H new ATOM 467 N ALA A 29 -5.383 4.570 1.171 1.00 0.00 N ATOM 468 CA ALA A 29 -6.260 3.747 0.369 1.00 0.00 C ATOM 469 C ALA A 29 -5.620 2.408 0.206 1.00 0.00 C ATOM 470 O ALA A 29 -6.276 1.365 0.221 1.00 0.00 O ATOM 471 CB ALA A 29 -6.394 4.377 -1.004 1.00 0.00 C ATOM 0 H ALA A 29 -5.139 5.460 0.736 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.237 3.656 0.843 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.053 3.767 -1.621 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.813 5.378 -0.905 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.412 4.439 -1.473 1.00 0.00 H new ATOM 477 N PHE A 30 -4.309 2.460 0.083 1.00 0.00 N ATOM 478 CA PHE A 30 -3.542 1.289 -0.042 1.00 0.00 C ATOM 479 C PHE A 30 -3.478 0.585 1.268 1.00 0.00 C ATOM 480 O PHE A 30 -3.578 -0.634 1.292 1.00 0.00 O ATOM 481 CB PHE A 30 -2.166 1.643 -0.495 1.00 0.00 C ATOM 482 CG PHE A 30 -2.213 1.847 -1.968 1.00 0.00 C ATOM 483 CD1 PHE A 30 -2.436 0.760 -2.809 1.00 0.00 C ATOM 484 CD2 PHE A 30 -2.102 3.125 -2.484 1.00 0.00 C ATOM 485 CE1 PHE A 30 -2.529 0.958 -4.177 1.00 0.00 C ATOM 486 CE2 PHE A 30 -2.211 3.336 -3.840 1.00 0.00 C ATOM 487 CZ PHE A 30 -2.419 2.249 -4.703 1.00 0.00 C ATOM 0 H PHE A 30 -3.769 3.325 0.070 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.005 0.630 -0.776 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.819 2.547 0.005 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.464 0.849 -0.241 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.536 -0.233 -2.397 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.929 3.960 -1.821 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.686 0.117 -4.836 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.137 4.337 -4.239 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.494 2.409 -5.768 1.00 0.00 H new ATOM 497 N ILE A 31 -3.357 1.349 2.373 1.00 0.00 N ATOM 498 CA ILE A 31 -3.326 0.692 3.674 1.00 0.00 C ATOM 499 C ILE A 31 -4.591 -0.134 3.767 1.00 0.00 C ATOM 500 O ILE A 31 -4.599 -1.263 4.262 1.00 0.00 O ATOM 501 CB ILE A 31 -3.365 1.672 4.853 1.00 0.00 C ATOM 502 CG1 ILE A 31 -2.185 2.634 4.823 1.00 0.00 C ATOM 503 CG2 ILE A 31 -3.318 0.879 6.172 1.00 0.00 C ATOM 504 CD1 ILE A 31 -2.391 3.683 5.926 1.00 0.00 C ATOM 0 H ILE A 31 -3.283 2.366 2.386 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.400 0.121 3.739 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.286 2.251 4.777 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.251 2.095 4.981 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.113 3.117 3.848 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.345 1.571 7.014 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.176 0.209 6.225 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.399 0.295 6.213 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.556 4.383 5.923 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.319 4.224 5.744 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.444 3.187 6.895 1.00 0.00 H new ATOM 516 N ASN A 32 -5.662 0.473 3.262 1.00 0.00 N ATOM 517 CA ASN A 32 -6.962 -0.157 3.256 1.00 0.00 C ATOM 518 C ASN A 32 -6.990 -1.376 2.342 1.00 0.00 C ATOM 519 O ASN A 32 -7.570 -2.398 2.696 1.00 0.00 O ATOM 520 CB ASN A 32 -8.004 0.872 2.817 1.00 0.00 C ATOM 521 CG ASN A 32 -8.469 1.694 4.016 1.00 0.00 C ATOM 522 OD1 ASN A 32 -9.149 1.175 4.901 1.00 0.00 O ATOM 523 ND2 ASN A 32 -8.134 2.951 4.100 1.00 0.00 N ATOM 0 H ASN A 32 -5.645 1.406 2.851 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.190 -0.509 4.262 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.580 1.530 2.058 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.855 0.367 2.361 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.435 3.507 4.900 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.570 3.379 3.365 1.00 0.00 H new ATOM 530 N SER A 33 -6.360 -1.273 1.174 1.00 0.00 N ATOM 531 CA SER A 33 -6.335 -2.386 0.242 1.00 0.00 C ATOM 532 C SER A 33 -5.616 -3.591 0.846 1.00 0.00 C ATOM 533 O SER A 33 -5.992 -4.734 0.589 1.00 0.00 O ATOM 534 CB SER A 33 -5.647 -1.960 -1.044 1.00 0.00 C ATOM 535 OG SER A 33 -6.254 -0.773 -1.538 1.00 0.00 O ATOM 0 H SER A 33 -5.867 -0.438 0.857 1.00 0.00 H new ATOM 0 HA SER A 33 -7.362 -2.679 0.026 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.586 -1.789 -0.862 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.719 -2.754 -1.787 1.00 0.00 H new ATOM 0 HG SER A 33 -6.078 -0.034 -0.919 1.00 0.00 H new ATOM 541 N LEU A 34 -4.573 -3.325 1.641 1.00 0.00 N ATOM 542 CA LEU A 34 -3.804 -4.419 2.271 1.00 0.00 C ATOM 543 C LEU A 34 -4.713 -5.273 3.151 1.00 0.00 C ATOM 544 O LEU A 34 -4.665 -6.497 3.110 1.00 0.00 O ATOM 545 CB LEU A 34 -2.660 -3.912 3.175 1.00 0.00 C ATOM 546 CG LEU A 34 -1.948 -2.681 2.602 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.670 -2.402 3.396 1.00 0.00 C ATOM 548 CD2 LEU A 34 -1.578 -2.894 1.136 1.00 0.00 C ATOM 0 H LEU A 34 -4.243 -2.386 1.864 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.383 -4.991 1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.062 -3.668 4.158 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.934 -4.712 3.317 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.631 -1.835 2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.169 -1.526 2.983 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.923 -2.217 4.440 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.006 -3.264 3.331 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.074 -2.006 0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.913 -3.753 1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.482 -3.076 0.555 1.00 0.00 H new ATOM 560 N ARG A 35 -5.531 -4.607 3.958 1.00 0.00 N ATOM 561 CA ARG A 35 -6.449 -5.299 4.857 1.00 0.00 C ATOM 562 C ARG A 35 -7.575 -5.940 4.057 1.00 0.00 C ATOM 563 O ARG A 35 -8.040 -7.033 4.384 1.00 0.00 O ATOM 564 CB ARG A 35 -6.961 -4.320 5.929 1.00 0.00 C ATOM 565 CG ARG A 35 -8.308 -3.683 5.555 1.00 0.00 C ATOM 566 CD ARG A 35 -8.505 -2.400 6.378 1.00 0.00 C ATOM 567 NE ARG A 35 -9.872 -1.888 6.246 1.00 0.00 N ATOM 568 CZ ARG A 35 -10.513 -1.887 5.080 1.00 0.00 C ATOM 569 NH1 ARG A 35 -9.957 -1.362 4.027 1.00 0.00 N ATOM 570 NH2 ARG A 35 -11.701 -2.410 4.994 1.00 0.00 N ATOM 0 H ARG A 35 -5.578 -3.589 4.009 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.931 -6.105 5.377 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.064 -4.847 6.877 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.221 -3.534 6.080 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.332 -3.453 4.490 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.121 -4.382 5.749 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.290 -2.602 7.427 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.796 -1.641 6.047 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.346 -1.522 7.072 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -9.027 -0.949 4.094 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -10.452 -1.363 3.135 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -12.139 -2.819 5.819 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.195 -2.411 4.101 1.00 0.00 H new ATOM 584 N ASP A 36 -7.967 -5.264 2.977 1.00 0.00 N ATOM 585 CA ASP A 36 -8.993 -5.775 2.088 1.00 0.00 C ATOM 586 C ASP A 36 -8.443 -6.998 1.367 1.00 0.00 C ATOM 587 O ASP A 36 -9.199 -7.851 0.894 1.00 0.00 O ATOM 588 CB ASP A 36 -9.391 -4.695 1.066 1.00 0.00 C ATOM 589 CG ASP A 36 -10.128 -3.535 1.745 1.00 0.00 C ATOM 590 OD1 ASP A 36 -10.871 -3.784 2.681 1.00 0.00 O ATOM 591 OD2 ASP A 36 -9.950 -2.410 1.305 1.00 0.00 O ATOM 0 H ASP A 36 -7.584 -4.359 2.702 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.878 -6.049 2.662 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.499 -4.319 0.564 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.028 -5.134 0.298 1.00 0.00 H new ATOM 596 N ASP A 37 -7.108 -7.059 1.292 1.00 0.00 N ATOM 597 CA ASP A 37 -6.425 -8.162 0.627 1.00 0.00 C ATOM 598 C ASP A 37 -4.907 -8.097 0.877 1.00 0.00 C ATOM 599 O ASP A 37 -4.181 -7.411 0.151 1.00 0.00 O ATOM 600 CB ASP A 37 -6.703 -8.097 -0.881 1.00 0.00 C ATOM 601 CG ASP A 37 -6.391 -9.443 -1.543 1.00 0.00 C ATOM 602 OD1 ASP A 37 -5.342 -10.003 -1.256 1.00 0.00 O ATOM 603 OD2 ASP A 37 -7.204 -9.895 -2.331 1.00 0.00 O ATOM 0 H ASP A 37 -6.484 -6.355 1.685 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.800 -9.101 1.033 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.747 -7.834 -1.053 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.097 -7.313 -1.335 1.00 0.00 H new ATOM 608 N PRO A 38 -4.411 -8.797 1.881 1.00 0.00 N ATOM 609 CA PRO A 38 -2.955 -8.812 2.205 1.00 0.00 C ATOM 610 C PRO A 38 -2.152 -9.562 1.148 1.00 0.00 C ATOM 611 O PRO A 38 -1.012 -9.216 0.865 1.00 0.00 O ATOM 612 CB PRO A 38 -2.851 -9.507 3.567 1.00 0.00 C ATOM 613 CG PRO A 38 -4.239 -9.856 3.990 1.00 0.00 C ATOM 614 CD PRO A 38 -5.177 -9.644 2.802 1.00 0.00 C ATOM 0 HA PRO A 38 -2.543 -7.803 2.229 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.234 -10.402 3.496 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.379 -8.851 4.299 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.283 -10.892 4.327 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.546 -9.234 4.831 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.450 -10.591 2.337 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.104 -9.160 3.109 1.00 0.00 H new ATOM 622 N SER A 39 -2.771 -10.578 0.546 1.00 0.00 N ATOM 623 CA SER A 39 -2.112 -11.352 -0.498 1.00 0.00 C ATOM 624 C SER A 39 -1.773 -10.425 -1.653 1.00 0.00 C ATOM 625 O SER A 39 -0.781 -10.621 -2.358 1.00 0.00 O ATOM 626 CB SER A 39 -3.027 -12.481 -0.983 1.00 0.00 C ATOM 627 OG SER A 39 -2.295 -13.342 -1.848 1.00 0.00 O ATOM 0 H SER A 39 -3.721 -10.880 0.763 1.00 0.00 H new ATOM 0 HA SER A 39 -1.200 -11.798 -0.100 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.412 -13.043 -0.132 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.888 -12.067 -1.507 1.00 0.00 H new ATOM 0 HG SER A 39 -2.878 -14.066 -2.159 1.00 0.00 H new ATOM 633 N GLN A 40 -2.611 -9.401 -1.819 1.00 0.00 N ATOM 634 CA GLN A 40 -2.418 -8.417 -2.866 1.00 0.00 C ATOM 635 C GLN A 40 -1.579 -7.244 -2.366 1.00 0.00 C ATOM 636 O GLN A 40 -1.391 -6.273 -3.088 1.00 0.00 O ATOM 637 CB GLN A 40 -3.774 -7.913 -3.374 1.00 0.00 C ATOM 638 CG GLN A 40 -4.457 -9.010 -4.204 1.00 0.00 C ATOM 639 CD GLN A 40 -5.826 -8.541 -4.704 1.00 0.00 C ATOM 640 OE1 GLN A 40 -6.323 -7.405 -4.292 1.00 0.00 O flip ATOM 641 NE2 GLN A 40 -6.466 -9.238 -5.490 1.00 0.00 N flip ATOM 0 H GLN A 40 -3.431 -9.238 -1.235 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.883 -8.895 -3.687 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.407 -7.633 -2.532 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.636 -7.018 -3.980 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.827 -9.276 -5.052 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.574 -9.910 -3.600 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -6.082 -10.125 -5.814 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -7.381 -8.928 -5.818 1.00 0.00 H new ATOM 650 N SER A 41 -1.044 -7.349 -1.143 1.00 0.00 N ATOM 651 CA SER A 41 -0.202 -6.285 -0.591 1.00 0.00 C ATOM 652 C SER A 41 0.913 -6.003 -1.583 1.00 0.00 C ATOM 653 O SER A 41 1.345 -4.874 -1.737 1.00 0.00 O ATOM 654 CB SER A 41 0.398 -6.718 0.757 1.00 0.00 C ATOM 655 OG SER A 41 1.359 -7.740 0.526 1.00 0.00 O ATOM 0 H SER A 41 -1.178 -8.150 -0.525 1.00 0.00 H new ATOM 0 HA SER A 41 -0.800 -5.389 -0.424 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.865 -5.867 1.253 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.387 -7.082 1.420 1.00 0.00 H new ATOM 0 HG SER A 41 0.901 -8.597 0.397 1.00 0.00 H new ATOM 661 N ALA A 42 1.335 -7.072 -2.256 1.00 0.00 N ATOM 662 CA ALA A 42 2.381 -7.032 -3.269 1.00 0.00 C ATOM 663 C ALA A 42 1.936 -6.271 -4.515 1.00 0.00 C ATOM 664 O ALA A 42 2.696 -5.520 -5.124 1.00 0.00 O ATOM 665 CB ALA A 42 2.686 -8.460 -3.697 1.00 0.00 C ATOM 0 H ALA A 42 0.951 -8.005 -2.108 1.00 0.00 H new ATOM 0 HA ALA A 42 3.248 -6.531 -2.838 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.468 -8.453 -4.456 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.023 -9.034 -2.834 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.786 -8.917 -4.108 1.00 0.00 H new ATOM 671 N ASN A 43 0.698 -6.512 -4.892 1.00 0.00 N ATOM 672 CA ASN A 43 0.098 -5.895 -6.055 1.00 0.00 C ATOM 673 C ASN A 43 -0.201 -4.442 -5.802 1.00 0.00 C ATOM 674 O ASN A 43 -0.192 -3.609 -6.702 1.00 0.00 O ATOM 675 CB ASN A 43 -1.218 -6.583 -6.298 1.00 0.00 C ATOM 676 CG ASN A 43 -1.009 -7.946 -6.953 1.00 0.00 C ATOM 677 OD1 ASN A 43 -1.470 -9.017 -6.371 1.00 0.00 O flip ATOM 678 ND2 ASN A 43 -0.412 -8.037 -8.026 1.00 0.00 N flip ATOM 0 H ASN A 43 0.074 -7.148 -4.395 1.00 0.00 H new ATOM 0 HA ASN A 43 0.783 -5.980 -6.898 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.748 -6.707 -5.353 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.845 -5.961 -6.936 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -0.051 -7.199 -8.482 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.278 -8.951 -8.459 1.00 0.00 H new ATOM 685 N LEU A 44 -0.572 -4.193 -4.570 1.00 0.00 N ATOM 686 CA LEU A 44 -0.998 -2.886 -4.149 1.00 0.00 C ATOM 687 C LEU A 44 0.089 -1.852 -4.222 1.00 0.00 C ATOM 688 O LEU A 44 -0.172 -0.764 -4.707 1.00 0.00 O ATOM 689 CB LEU A 44 -1.605 -3.011 -2.770 1.00 0.00 C ATOM 690 CG LEU A 44 -2.910 -3.796 -2.941 1.00 0.00 C ATOM 691 CD1 LEU A 44 -3.386 -4.385 -1.615 1.00 0.00 C ATOM 692 CD2 LEU A 44 -3.965 -2.865 -3.519 1.00 0.00 C ATOM 0 H LEU A 44 -0.586 -4.895 -3.830 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.752 -2.516 -4.844 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.926 -3.529 -2.092 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.797 -2.028 -2.339 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.736 -4.631 -3.619 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.314 -4.935 -1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.626 -5.061 -1.223 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.559 -3.580 -0.901 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.900 -3.410 -3.647 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.123 -2.027 -2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.629 -2.490 -4.486 1.00 0.00 H new ATOM 704 N LEU A 45 1.315 -2.177 -3.826 1.00 0.00 N ATOM 705 CA LEU A 45 2.371 -1.169 -3.996 1.00 0.00 C ATOM 706 C LEU A 45 2.581 -1.043 -5.480 1.00 0.00 C ATOM 707 O LEU A 45 2.910 0.004 -5.974 1.00 0.00 O ATOM 708 CB LEU A 45 3.760 -1.391 -3.333 1.00 0.00 C ATOM 709 CG LEU A 45 3.841 -2.602 -2.431 1.00 0.00 C ATOM 710 CD1 LEU A 45 2.782 -2.522 -1.338 1.00 0.00 C ATOM 711 CD2 LEU A 45 3.706 -3.847 -3.294 1.00 0.00 C ATOM 0 H LEU A 45 1.598 -3.065 -3.412 1.00 0.00 H new ATOM 0 HA LEU A 45 2.000 -0.289 -3.471 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.511 -1.488 -4.117 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.017 -0.505 -2.753 1.00 0.00 H new ATOM 0 HG LEU A 45 4.802 -2.642 -1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.853 -3.401 -0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.942 -1.624 -0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.792 -2.484 -1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.762 -4.734 -2.664 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.747 -3.829 -3.811 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.513 -3.871 -4.027 1.00 0.00 H new ATOM 723 N ALA A 46 2.377 -2.153 -6.183 1.00 0.00 N ATOM 724 CA ALA A 46 2.528 -2.167 -7.629 1.00 0.00 C ATOM 725 C ALA A 46 1.544 -1.172 -8.209 1.00 0.00 C ATOM 726 O ALA A 46 1.881 -0.355 -9.065 1.00 0.00 O ATOM 727 CB ALA A 46 2.203 -3.554 -8.168 1.00 0.00 C ATOM 0 H ALA A 46 2.108 -3.048 -5.775 1.00 0.00 H new ATOM 0 HA ALA A 46 3.551 -1.909 -7.902 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.318 -3.559 -9.252 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.882 -4.284 -7.728 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.176 -3.813 -7.911 1.00 0.00 H new ATOM 733 N GLU A 47 0.332 -1.233 -7.669 1.00 0.00 N ATOM 734 CA GLU A 47 -0.736 -0.341 -8.038 1.00 0.00 C ATOM 735 C GLU A 47 -0.361 1.057 -7.605 1.00 0.00 C ATOM 736 O GLU A 47 -0.436 2.009 -8.364 1.00 0.00 O ATOM 737 CB GLU A 47 -1.976 -0.782 -7.268 1.00 0.00 C ATOM 738 CG GLU A 47 -2.840 -1.712 -8.117 1.00 0.00 C ATOM 739 CD GLU A 47 -3.674 -2.620 -7.211 1.00 0.00 C ATOM 740 OE1 GLU A 47 -3.170 -3.663 -6.822 1.00 0.00 O ATOM 741 OE2 GLU A 47 -4.800 -2.255 -6.913 1.00 0.00 O ATOM 0 H GLU A 47 0.071 -1.914 -6.956 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.917 -0.358 -9.113 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.678 -1.291 -6.351 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.556 0.092 -6.973 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.495 -1.126 -8.762 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.208 -2.315 -8.769 1.00 0.00 H new ATOM 748 N ALA A 48 0.051 1.124 -6.355 1.00 0.00 N ATOM 749 CA ALA A 48 0.462 2.357 -5.710 1.00 0.00 C ATOM 750 C ALA A 48 1.604 3.009 -6.458 1.00 0.00 C ATOM 751 O ALA A 48 1.571 4.197 -6.737 1.00 0.00 O ATOM 752 CB ALA A 48 0.891 2.051 -4.290 1.00 0.00 C ATOM 0 H ALA A 48 0.111 0.308 -5.746 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.380 3.049 -5.708 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.202 2.972 -3.797 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.056 1.611 -3.744 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.724 1.349 -4.305 1.00 0.00 H new ATOM 758 N LYS A 49 2.596 2.210 -6.799 1.00 0.00 N ATOM 759 CA LYS A 49 3.733 2.703 -7.557 1.00 0.00 C ATOM 760 C LYS A 49 3.223 3.204 -8.902 1.00 0.00 C ATOM 761 O LYS A 49 3.698 4.215 -9.417 1.00 0.00 O ATOM 762 CB LYS A 49 4.778 1.589 -7.734 1.00 0.00 C ATOM 763 CG LYS A 49 5.493 1.339 -6.393 1.00 0.00 C ATOM 764 CD LYS A 49 6.413 0.113 -6.501 1.00 0.00 C ATOM 765 CE LYS A 49 6.942 -0.261 -5.109 1.00 0.00 C ATOM 766 NZ LYS A 49 7.780 -1.490 -5.205 1.00 0.00 N ATOM 0 H LYS A 49 2.639 1.218 -6.565 1.00 0.00 H new ATOM 0 HA LYS A 49 4.220 3.521 -7.027 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.295 0.674 -8.077 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.502 1.873 -8.497 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.076 2.217 -6.115 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.757 1.182 -5.604 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.867 -0.727 -6.931 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.245 0.329 -7.171 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.530 0.561 -4.700 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.110 -0.429 -4.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.691 -2.040 -4.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.459 -2.067 -6.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.775 -1.222 -5.347 1.00 0.00 H new ATOM 780 N LYS A 50 2.201 2.513 -9.435 1.00 0.00 N ATOM 781 CA LYS A 50 1.583 2.925 -10.689 1.00 0.00 C ATOM 782 C LYS A 50 0.797 4.206 -10.453 1.00 0.00 C ATOM 783 O LYS A 50 0.764 5.091 -11.292 1.00 0.00 O ATOM 784 CB LYS A 50 0.646 1.822 -11.215 1.00 0.00 C ATOM 785 CG LYS A 50 1.223 1.203 -12.499 1.00 0.00 C ATOM 786 CD LYS A 50 2.271 0.134 -12.149 1.00 0.00 C ATOM 787 CE LYS A 50 1.584 -1.221 -11.925 1.00 0.00 C ATOM 788 NZ LYS A 50 2.498 -2.121 -11.165 1.00 0.00 N ATOM 0 H LYS A 50 1.795 1.676 -9.016 1.00 0.00 H new ATOM 0 HA LYS A 50 2.359 3.099 -11.435 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.519 1.050 -10.456 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.341 2.238 -11.415 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.422 0.758 -13.089 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.677 1.980 -13.114 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.002 0.052 -12.954 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.816 0.427 -11.252 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.653 -1.082 -11.376 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.325 -1.672 -12.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.047 -3.050 -11.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.389 -2.235 -11.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.697 -1.707 -10.232 1.00 0.00 H new ATOM 802 N LEU A 51 0.175 4.265 -9.277 1.00 0.00 N ATOM 803 CA LEU A 51 -0.634 5.399 -8.847 1.00 0.00 C ATOM 804 C LEU A 51 0.233 6.618 -8.617 1.00 0.00 C ATOM 805 O LEU A 51 -0.101 7.732 -9.008 1.00 0.00 O ATOM 806 CB LEU A 51 -1.273 5.043 -7.506 1.00 0.00 C ATOM 807 CG LEU A 51 -2.731 4.614 -7.631 1.00 0.00 C ATOM 808 CD1 LEU A 51 -3.579 5.810 -8.091 1.00 0.00 C ATOM 809 CD2 LEU A 51 -2.843 3.410 -8.590 1.00 0.00 C ATOM 0 H LEU A 51 0.221 3.515 -8.588 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.376 5.614 -9.616 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.703 4.239 -7.041 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.210 5.904 -6.841 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.114 4.291 -6.663 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.621 5.504 -8.181 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.499 6.615 -7.361 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.219 6.160 -9.058 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.887 3.108 -8.675 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.465 3.691 -9.573 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.256 2.579 -8.200 1.00 0.00 H new ATOM 821 N ASN A 52 1.346 6.363 -7.951 1.00 0.00 N ATOM 822 CA ASN A 52 2.301 7.385 -7.611 1.00 0.00 C ATOM 823 C ASN A 52 2.794 8.031 -8.884 1.00 0.00 C ATOM 824 O ASN A 52 2.818 9.255 -9.021 1.00 0.00 O ATOM 825 CB ASN A 52 3.450 6.706 -6.849 1.00 0.00 C ATOM 826 CG ASN A 52 4.459 7.717 -6.324 1.00 0.00 C ATOM 827 OD1 ASN A 52 4.245 8.324 -5.280 1.00 0.00 O ATOM 828 ND2 ASN A 52 5.562 7.919 -6.986 1.00 0.00 N ATOM 0 H ASN A 52 1.608 5.430 -7.632 1.00 0.00 H new ATOM 0 HA ASN A 52 1.861 8.161 -6.985 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.044 6.132 -6.016 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.954 5.999 -7.507 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.252 8.584 -6.637 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.736 7.412 -7.854 1.00 0.00 H new ATOM 835 N ASP A 53 3.155 7.171 -9.816 1.00 0.00 N ATOM 836 CA ASP A 53 3.630 7.591 -11.107 1.00 0.00 C ATOM 837 C ASP A 53 2.503 8.168 -11.969 1.00 0.00 C ATOM 838 O ASP A 53 2.717 9.107 -12.739 1.00 0.00 O ATOM 839 CB ASP A 53 4.260 6.387 -11.818 1.00 0.00 C ATOM 840 CG ASP A 53 5.476 5.849 -11.043 1.00 0.00 C ATOM 841 OD1 ASP A 53 6.012 6.567 -10.209 1.00 0.00 O ATOM 842 OD2 ASP A 53 5.851 4.716 -11.296 1.00 0.00 O ATOM 0 H ASP A 53 3.125 6.159 -9.693 1.00 0.00 H new ATOM 0 HA ASP A 53 4.368 8.380 -10.962 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.517 5.597 -11.926 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.566 6.676 -12.823 1.00 0.00 H new ATOM 847 N ALA A 54 1.320 7.555 -11.869 1.00 0.00 N ATOM 848 CA ALA A 54 0.166 7.956 -12.683 1.00 0.00 C ATOM 849 C ALA A 54 -0.472 9.263 -12.259 1.00 0.00 C ATOM 850 O ALA A 54 -0.893 10.055 -13.105 1.00 0.00 O ATOM 851 CB ALA A 54 -0.909 6.899 -12.548 1.00 0.00 C ATOM 0 H ALA A 54 1.135 6.779 -11.233 1.00 0.00 H new ATOM 0 HA ALA A 54 0.545 8.075 -13.698 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.775 7.182 -13.147 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.523 5.941 -12.897 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.204 6.812 -11.502 1.00 0.00 H new ATOM 857 N GLN A 55 -0.578 9.470 -10.956 1.00 0.00 N ATOM 858 CA GLN A 55 -1.212 10.668 -10.455 1.00 0.00 C ATOM 859 C GLN A 55 -0.275 11.836 -10.528 1.00 0.00 C ATOM 860 O GLN A 55 -0.652 12.916 -10.989 1.00 0.00 O ATOM 861 CB GLN A 55 -1.619 10.477 -9.002 1.00 0.00 C ATOM 862 CG GLN A 55 -2.798 9.511 -8.886 1.00 0.00 C ATOM 863 CD GLN A 55 -3.243 9.443 -7.429 1.00 0.00 C ATOM 864 OE1 GLN A 55 -4.211 8.759 -7.105 1.00 0.00 O ATOM 865 NE2 GLN A 55 -2.602 10.140 -6.528 1.00 0.00 N ATOM 0 H GLN A 55 -0.237 8.830 -10.238 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.089 10.861 -11.072 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.773 10.094 -8.431 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.888 11.439 -8.567 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.622 9.846 -9.516 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.509 8.521 -9.238 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.799 10.707 -6.799 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.905 10.117 -5.554 1.00 0.00 H new ATOM 874 N ALA A 56 0.941 11.599 -10.036 1.00 0.00 N ATOM 875 CA ALA A 56 1.972 12.640 -9.987 1.00 0.00 C ATOM 876 C ALA A 56 1.308 14.003 -9.707 1.00 0.00 C ATOM 877 O ALA A 56 1.425 14.933 -10.507 1.00 0.00 O ATOM 878 CB ALA A 56 2.742 12.664 -11.310 1.00 0.00 C ATOM 0 H ALA A 56 1.238 10.696 -9.665 1.00 0.00 H new ATOM 0 HA ALA A 56 2.679 12.428 -9.185 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.508 13.439 -11.271 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.214 11.695 -11.474 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.053 12.875 -12.128 1.00 0.00 H new