USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 709 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 Single : A 1 MET CE :methyl 156:sc= -1.27 (180deg=-1.89) USER MOD Single : A 1 MET N :NH3+ -146:sc= 1.2 (180deg=0.886) USER MOD Single : A 3 MET CE :methyl -119:sc= 0 (180deg=-1.36) USER MOD Single : A 17 LYS NZ :NH3+ -157:sc= 2.2 (180deg=1.28) USER MOD Single : A 20 LYS NZ :NH3+ -140:sc= 1.05 (180deg=-0.633) USER MOD Single : A 22 MET CE :methyl -146:sc= -0.0595 (180deg=-1.12) USER MOD Single : A 25 GLN :FLIP amide:sc= -0.328 F(o=-1.2,f=-0.33) USER MOD Single : A 28 LYS NZ :NH3+ 169:sc= -0.0161 (180deg=-0.167) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc=-0.00623 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -121:sc= -0.66 USER MOD Single : A 40 ASN :FLIP amide:sc= -0.453 F(o=-1.4,f=-0.45) USER MOD Single : A 47 THR OG1 : rot -36:sc= 0.491 USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 55 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0373) USER MOD Single : A 59 LYS NZ :NH3+ -177:sc= 1.19 (180deg=1.13) USER MOD Single : A 66 LYS NZ :NH3+ 166:sc= -0.0217 (180deg=-0.218) USER MOD Single : A 69 ASN : amide:sc= -0.171 X(o=-0.17,f=-0.48) USER MOD Single : A 71 THR OG1 : rot 180:sc= -2.41! USER MOD Single : A 73 THR OG1 : rot 41:sc= 0.0577 USER MOD Single : A 74 TYR OH : rot 168:sc= -0.0181 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.0478 K(o=-0.048,f=-4.5!) USER MOD Single : A 81 HIS : no HE2:sc= 0.735 K(o=0.74,f=-2.3!) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS :FLIP no HE2:sc= 0.148 F(o=-1.6,f=0.15) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.661 14.075 3.394 1.00 44.32 N ATOM 2 CA MET A 1 -3.403 12.870 3.851 1.00 32.33 C ATOM 3 C MET A 1 -2.466 11.860 4.533 1.00 52.01 C ATOM 4 O MET A 1 -1.263 11.824 4.260 1.00 33.14 O ATOM 5 CB MET A 1 -4.116 12.202 2.664 1.00 62.20 C ATOM 6 CG MET A 1 -5.163 13.087 1.999 1.00 31.42 C ATOM 7 SD MET A 1 -5.880 12.342 0.520 1.00 10.21 S ATOM 8 CE MET A 1 -6.667 10.886 1.196 1.00 43.10 C ATOM 0 H1 MET A 1 -3.271 14.913 3.482 1.00 44.32 H new ATOM 0 H2 MET A 1 -1.812 14.203 3.980 1.00 44.32 H new ATOM 0 H3 MET A 1 -2.381 13.954 2.400 1.00 44.32 H new ATOM 0 HA MET A 1 -4.144 13.193 4.582 1.00 32.33 H new ATOM 0 HB2 MET A 1 -3.372 11.914 1.921 1.00 62.20 H new ATOM 0 HB3 MET A 1 -4.594 11.285 3.009 1.00 62.20 H new ATOM 0 HG2 MET A 1 -5.958 13.300 2.714 1.00 31.42 H new ATOM 0 HG3 MET A 1 -4.709 14.042 1.734 1.00 31.42 H new ATOM 0 HE1 MET A 1 -7.474 10.569 0.536 1.00 43.10 H new ATOM 0 HE2 MET A 1 -5.934 10.084 1.284 1.00 43.10 H new ATOM 0 HE3 MET A 1 -7.073 11.116 2.181 1.00 43.10 H new ATOM 20 N GLU A 2 -3.030 11.049 5.426 1.00 65.02 N ATOM 21 CA GLU A 2 -2.279 10.002 6.134 1.00 64.52 C ATOM 22 C GLU A 2 -2.946 8.642 5.860 1.00 74.32 C ATOM 23 O GLU A 2 -4.116 8.446 6.197 1.00 14.20 O ATOM 24 CB GLU A 2 -2.261 10.327 7.644 1.00 51.31 C ATOM 25 CG GLU A 2 -0.987 9.917 8.379 1.00 71.22 C ATOM 26 CD GLU A 2 -0.824 8.412 8.520 1.00 12.31 C ATOM 27 OE1 GLU A 2 -1.371 7.841 9.489 1.00 14.31 O ATOM 28 OE2 GLU A 2 -0.137 7.801 7.678 1.00 63.24 O ATOM 0 H GLU A 2 -4.016 11.095 5.682 1.00 65.02 H new ATOM 0 HA GLU A 2 -1.248 9.959 5.782 1.00 64.52 H new ATOM 0 HB2 GLU A 2 -2.406 11.400 7.771 1.00 51.31 H new ATOM 0 HB3 GLU A 2 -3.110 9.833 8.117 1.00 51.31 H new ATOM 0 HG2 GLU A 2 -0.125 10.319 7.847 1.00 71.22 H new ATOM 0 HG3 GLU A 2 -0.988 10.369 9.371 1.00 71.22 H new ATOM 35 N MET A 3 -2.219 7.704 5.248 1.00 70.10 N ATOM 36 CA MET A 3 -2.856 6.505 4.676 1.00 12.51 C ATOM 37 C MET A 3 -2.280 5.175 5.205 1.00 53.22 C ATOM 38 O MET A 3 -1.085 4.896 5.088 1.00 41.14 O ATOM 39 CB MET A 3 -2.747 6.560 3.143 1.00 75.51 C ATOM 40 CG MET A 3 -3.422 5.399 2.423 1.00 41.23 C ATOM 41 SD MET A 3 -3.524 5.661 0.639 1.00 43.21 S ATOM 42 CE MET A 3 -4.485 4.240 0.129 1.00 33.31 C ATOM 0 H MET A 3 -1.206 7.745 5.134 1.00 70.10 H new ATOM 0 HA MET A 3 -3.899 6.520 4.992 1.00 12.51 H new ATOM 0 HB2 MET A 3 -3.186 7.494 2.793 1.00 75.51 H new ATOM 0 HB3 MET A 3 -1.693 6.580 2.866 1.00 75.51 H new ATOM 0 HG2 MET A 3 -2.869 4.481 2.622 1.00 41.23 H new ATOM 0 HG3 MET A 3 -4.426 5.260 2.825 1.00 41.23 H new ATOM 0 HE1 MET A 3 -3.899 3.633 -0.561 1.00 33.31 H new ATOM 0 HE2 MET A 3 -4.747 3.645 1.004 1.00 33.31 H new ATOM 0 HE3 MET A 3 -5.395 4.576 -0.367 1.00 33.31 H new ATOM 52 N ASP A 4 -3.164 4.361 5.785 1.00 72.30 N ATOM 53 CA ASP A 4 -2.851 2.982 6.185 1.00 20.53 C ATOM 54 C ASP A 4 -3.146 2.012 5.029 1.00 41.42 C ATOM 55 O ASP A 4 -4.259 1.992 4.510 1.00 0.42 O ATOM 56 CB ASP A 4 -3.689 2.616 7.429 1.00 45.12 C ATOM 57 CG ASP A 4 -3.874 1.116 7.627 1.00 54.11 C ATOM 58 OD1 ASP A 4 -2.993 0.474 8.232 1.00 35.25 O ATOM 59 OD2 ASP A 4 -4.915 0.577 7.185 1.00 54.44 O ATOM 0 H ASP A 4 -4.123 4.639 5.993 1.00 72.30 H new ATOM 0 HA ASP A 4 -1.792 2.903 6.429 1.00 20.53 H new ATOM 0 HB2 ASP A 4 -3.209 3.033 8.314 1.00 45.12 H new ATOM 0 HB3 ASP A 4 -4.669 3.086 7.346 1.00 45.12 H new ATOM 64 N ILE A 5 -2.148 1.227 4.610 1.00 12.03 N ATOM 65 CA ILE A 5 -2.331 0.248 3.525 1.00 10.33 C ATOM 66 C ILE A 5 -1.800 -1.138 3.929 1.00 30.01 C ATOM 67 O ILE A 5 -0.594 -1.353 4.011 1.00 52.41 O ATOM 68 CB ILE A 5 -1.607 0.692 2.226 1.00 11.03 C ATOM 69 CG1 ILE A 5 -1.976 2.138 1.862 1.00 22.32 C ATOM 70 CG2 ILE A 5 -1.946 -0.255 1.071 1.00 32.04 C ATOM 71 CD1 ILE A 5 -1.242 2.676 0.651 1.00 74.50 C ATOM 0 H ILE A 5 -1.207 1.248 5.002 1.00 12.03 H new ATOM 0 HA ILE A 5 -3.403 0.191 3.339 1.00 10.33 H new ATOM 0 HB ILE A 5 -0.533 0.649 2.404 1.00 11.03 H new ATOM 0 HG12 ILE A 5 -3.049 2.193 1.677 1.00 22.32 H new ATOM 0 HG13 ILE A 5 -1.766 2.782 2.716 1.00 22.32 H new ATOM 0 HG21 ILE A 5 -1.429 0.072 0.169 1.00 32.04 H new ATOM 0 HG22 ILE A 5 -1.628 -1.266 1.325 1.00 32.04 H new ATOM 0 HG23 ILE A 5 -3.022 -0.246 0.897 1.00 32.04 H new ATOM 0 HD11 ILE A 5 -1.558 3.702 0.460 1.00 74.50 H new ATOM 0 HD12 ILE A 5 -0.168 2.656 0.838 1.00 74.50 H new ATOM 0 HD13 ILE A 5 -1.471 2.058 -0.217 1.00 74.50 H new ATOM 83 N ARG A 6 -2.700 -2.083 4.158 1.00 21.35 N ATOM 84 CA ARG A 6 -2.311 -3.435 4.580 1.00 30.23 C ATOM 85 C ARG A 6 -2.540 -4.482 3.478 1.00 11.22 C ATOM 86 O ARG A 6 -3.677 -4.833 3.159 1.00 53.50 O ATOM 87 CB ARG A 6 -3.068 -3.812 5.863 1.00 31.34 C ATOM 88 CG ARG A 6 -2.477 -3.180 7.124 1.00 23.50 C ATOM 89 CD ARG A 6 -3.448 -3.208 8.298 1.00 24.02 C ATOM 90 NE ARG A 6 -4.470 -2.170 8.173 1.00 53.22 N ATOM 91 CZ ARG A 6 -5.694 -2.276 8.606 1.00 42.51 C ATOM 92 NH1 ARG A 6 -6.113 -3.369 9.162 1.00 40.25 N ATOM 93 NH2 ARG A 6 -6.498 -1.275 8.475 1.00 10.42 N ATOM 0 H ARG A 6 -3.706 -1.946 4.061 1.00 21.35 H new ATOM 0 HA ARG A 6 -1.240 -3.428 4.780 1.00 30.23 H new ATOM 0 HB2 ARG A 6 -4.109 -3.505 5.765 1.00 31.34 H new ATOM 0 HB3 ARG A 6 -3.064 -4.896 5.973 1.00 31.34 H new ATOM 0 HG2 ARG A 6 -1.564 -3.709 7.398 1.00 23.50 H new ATOM 0 HG3 ARG A 6 -2.196 -2.148 6.913 1.00 23.50 H new ATOM 0 HD2 ARG A 6 -3.926 -4.186 8.353 1.00 24.02 H new ATOM 0 HD3 ARG A 6 -2.899 -3.069 9.229 1.00 24.02 H new ATOM 0 HE ARG A 6 -4.205 -1.299 7.713 1.00 53.22 H new ATOM 0 HH11 ARG A 6 -5.481 -4.163 9.266 1.00 40.25 H new ATOM 0 HH12 ARG A 6 -7.075 -3.435 9.496 1.00 40.25 H new ATOM 0 HH21 ARG A 6 -6.173 -0.413 8.037 1.00 10.42 H new ATOM 0 HH22 ARG A 6 -7.459 -1.345 8.810 1.00 10.42 H new ATOM 107 N PHE A 7 -1.443 -4.961 2.896 1.00 24.11 N ATOM 108 CA PHE A 7 -1.482 -6.039 1.901 1.00 30.51 C ATOM 109 C PHE A 7 -1.369 -7.409 2.581 1.00 22.42 C ATOM 110 O PHE A 7 -0.842 -7.522 3.686 1.00 71.14 O ATOM 111 CB PHE A 7 -0.323 -5.900 0.900 1.00 20.00 C ATOM 112 CG PHE A 7 -0.393 -4.683 0.014 1.00 43.05 C ATOM 113 CD1 PHE A 7 -1.171 -4.693 -1.133 1.00 11.00 C ATOM 114 CD2 PHE A 7 0.337 -3.539 0.315 1.00 63.15 C ATOM 115 CE1 PHE A 7 -1.221 -3.589 -1.962 1.00 74.14 C ATOM 116 CE2 PHE A 7 0.288 -2.433 -0.510 1.00 52.23 C ATOM 117 CZ PHE A 7 -0.493 -2.459 -1.651 1.00 62.31 C ATOM 0 H PHE A 7 -0.504 -4.617 3.097 1.00 24.11 H new ATOM 0 HA PHE A 7 -2.434 -5.963 1.376 1.00 30.51 H new ATOM 0 HB2 PHE A 7 0.615 -5.875 1.454 1.00 20.00 H new ATOM 0 HB3 PHE A 7 -0.297 -6.789 0.270 1.00 20.00 H new ATOM 0 HD1 PHE A 7 -1.745 -5.574 -1.381 1.00 11.00 H new ATOM 0 HD2 PHE A 7 0.949 -3.515 1.204 1.00 63.15 H new ATOM 0 HE1 PHE A 7 -1.830 -3.610 -2.854 1.00 74.14 H new ATOM 0 HE2 PHE A 7 0.858 -1.549 -0.265 1.00 52.23 H new ATOM 0 HZ PHE A 7 -0.533 -1.595 -2.298 1.00 62.31 H new ATOM 127 N ARG A 8 -1.864 -8.451 1.923 1.00 10.43 N ATOM 128 CA ARG A 8 -1.652 -9.819 2.395 1.00 51.11 C ATOM 129 C ARG A 8 -1.434 -10.787 1.225 1.00 34.31 C ATOM 130 O ARG A 8 -2.292 -10.938 0.354 1.00 44.12 O ATOM 131 CB ARG A 8 -2.819 -10.292 3.268 1.00 73.32 C ATOM 132 CG ARG A 8 -2.618 -11.700 3.824 1.00 45.20 C ATOM 133 CD ARG A 8 -3.709 -12.088 4.808 1.00 21.34 C ATOM 134 NE ARG A 8 -5.039 -12.015 4.218 1.00 4.33 N ATOM 135 CZ ARG A 8 -6.069 -11.476 4.807 1.00 50.42 C ATOM 136 NH1 ARG A 8 -5.939 -10.902 5.963 1.00 2.22 N ATOM 137 NH2 ARG A 8 -7.225 -11.504 4.230 1.00 41.40 N ATOM 0 H ARG A 8 -2.412 -8.378 1.066 1.00 10.43 H new ATOM 0 HA ARG A 8 -0.748 -9.814 3.004 1.00 51.11 H new ATOM 0 HB2 ARG A 8 -2.951 -9.596 4.096 1.00 73.32 H new ATOM 0 HB3 ARG A 8 -3.737 -10.267 2.681 1.00 73.32 H new ATOM 0 HG2 ARG A 8 -2.602 -12.415 3.001 1.00 45.20 H new ATOM 0 HG3 ARG A 8 -1.648 -11.759 4.317 1.00 45.20 H new ATOM 0 HD2 ARG A 8 -3.528 -13.102 5.166 1.00 21.34 H new ATOM 0 HD3 ARG A 8 -3.663 -11.430 5.676 1.00 21.34 H new ATOM 0 HE ARG A 8 -5.172 -12.410 3.287 1.00 4.33 H new ATOM 0 HH11 ARG A 8 -5.026 -10.870 6.417 1.00 2.22 H new ATOM 0 HH12 ARG A 8 -6.750 -10.482 6.418 1.00 2.22 H new ATOM 0 HH21 ARG A 8 -7.329 -11.947 3.317 1.00 41.40 H new ATOM 0 HH22 ARG A 8 -8.034 -11.083 4.688 1.00 41.40 H new ATOM 151 N GLY A 9 -0.276 -11.437 1.220 1.00 40.24 N ATOM 152 CA GLY A 9 0.050 -12.403 0.179 1.00 20.05 C ATOM 153 C GLY A 9 1.264 -13.251 0.531 1.00 14.11 C ATOM 154 O GLY A 9 2.300 -12.723 0.944 1.00 14.24 O ATOM 0 H GLY A 9 0.451 -11.313 1.924 1.00 40.24 H new ATOM 0 HA2 GLY A 9 -0.808 -13.054 0.011 1.00 20.05 H new ATOM 0 HA3 GLY A 9 0.238 -11.875 -0.756 1.00 20.05 H new ATOM 158 N ASP A 10 1.147 -14.566 0.376 1.00 33.30 N ATOM 159 CA ASP A 10 2.248 -15.478 0.697 1.00 54.24 C ATOM 160 C ASP A 10 3.298 -15.519 -0.428 1.00 63.11 C ATOM 161 O ASP A 10 4.341 -16.159 -0.299 1.00 22.42 O ATOM 162 CB ASP A 10 1.706 -16.881 0.986 1.00 64.43 C ATOM 163 CG ASP A 10 0.937 -17.457 -0.185 1.00 23.33 C ATOM 164 OD1 ASP A 10 -0.215 -17.031 -0.408 1.00 63.33 O ATOM 165 OD2 ASP A 10 1.473 -18.341 -0.885 1.00 52.41 O ATOM 0 H ASP A 10 0.305 -15.026 0.031 1.00 33.30 H new ATOM 0 HA ASP A 10 2.745 -15.102 1.591 1.00 54.24 H new ATOM 0 HB2 ASP A 10 2.535 -17.544 1.234 1.00 64.43 H new ATOM 0 HB3 ASP A 10 1.056 -16.843 1.860 1.00 64.43 H new ATOM 170 N ASP A 11 3.008 -14.838 -1.533 1.00 54.01 N ATOM 171 CA ASP A 11 3.962 -14.702 -2.633 1.00 73.01 C ATOM 172 C ASP A 11 5.096 -13.735 -2.253 1.00 13.43 C ATOM 173 O ASP A 11 4.925 -12.515 -2.282 1.00 0.23 O ATOM 174 CB ASP A 11 3.237 -14.214 -3.891 1.00 42.34 C ATOM 175 CG ASP A 11 2.084 -15.124 -4.263 1.00 41.32 C ATOM 176 OD1 ASP A 11 2.309 -16.100 -5.006 1.00 33.23 O ATOM 177 OD2 ASP A 11 0.954 -14.885 -3.791 1.00 33.33 O ATOM 0 H ASP A 11 2.116 -14.369 -1.692 1.00 54.01 H new ATOM 0 HA ASP A 11 4.405 -15.677 -2.836 1.00 73.01 H new ATOM 0 HB2 ASP A 11 2.864 -13.203 -3.727 1.00 42.34 H new ATOM 0 HB3 ASP A 11 3.942 -14.163 -4.721 1.00 42.34 H new ATOM 182 N LEU A 12 6.252 -14.287 -1.887 1.00 21.44 N ATOM 183 CA LEU A 12 7.382 -13.478 -1.412 1.00 5.42 C ATOM 184 C LEU A 12 7.886 -12.499 -2.490 1.00 32.44 C ATOM 185 O LEU A 12 8.445 -11.447 -2.175 1.00 65.12 O ATOM 186 CB LEU A 12 8.522 -14.388 -0.931 1.00 20.14 C ATOM 187 CG LEU A 12 9.686 -13.675 -0.218 1.00 30.34 C ATOM 188 CD1 LEU A 12 9.186 -12.896 0.999 1.00 74.23 C ATOM 189 CD2 LEU A 12 10.756 -14.685 0.193 1.00 63.30 C ATOM 0 H LEU A 12 6.434 -15.290 -1.909 1.00 21.44 H new ATOM 0 HA LEU A 12 7.028 -12.878 -0.574 1.00 5.42 H new ATOM 0 HB2 LEU A 12 8.106 -15.134 -0.253 1.00 20.14 H new ATOM 0 HB3 LEU A 12 8.921 -14.926 -1.791 1.00 20.14 H new ATOM 0 HG LEU A 12 10.129 -12.963 -0.915 1.00 30.34 H new ATOM 0 HD11 LEU A 12 10.027 -12.402 1.485 1.00 74.23 H new ATOM 0 HD12 LEU A 12 8.461 -12.148 0.679 1.00 74.23 H new ATOM 0 HD13 LEU A 12 8.713 -13.583 1.701 1.00 74.23 H new ATOM 0 HD21 LEU A 12 11.572 -14.166 0.696 1.00 63.30 H new ATOM 0 HD22 LEU A 12 10.321 -15.420 0.870 1.00 63.30 H new ATOM 0 HD23 LEU A 12 11.139 -15.190 -0.694 1.00 63.30 H new ATOM 201 N GLU A 13 7.691 -12.842 -3.763 1.00 54.54 N ATOM 202 CA GLU A 13 8.039 -11.926 -4.855 1.00 44.53 C ATOM 203 C GLU A 13 7.024 -10.769 -4.934 1.00 21.42 C ATOM 204 O GLU A 13 7.387 -9.628 -5.219 1.00 43.51 O ATOM 205 CB GLU A 13 8.143 -12.685 -6.196 1.00 52.51 C ATOM 206 CG GLU A 13 6.811 -13.046 -6.864 1.00 54.22 C ATOM 207 CD GLU A 13 6.229 -11.908 -7.699 1.00 73.40 C ATOM 208 OE1 GLU A 13 7.017 -11.159 -8.323 1.00 44.20 O ATOM 209 OE2 GLU A 13 4.993 -11.770 -7.750 1.00 23.53 O ATOM 0 H GLU A 13 7.299 -13.735 -4.064 1.00 54.54 H new ATOM 0 HA GLU A 13 9.018 -11.495 -4.648 1.00 44.53 H new ATOM 0 HB2 GLU A 13 8.724 -12.078 -6.891 1.00 52.51 H new ATOM 0 HB3 GLU A 13 8.705 -13.604 -6.029 1.00 52.51 H new ATOM 0 HG2 GLU A 13 6.956 -13.918 -7.501 1.00 54.22 H new ATOM 0 HG3 GLU A 13 6.092 -13.329 -6.096 1.00 54.22 H new ATOM 216 N ALA A 14 5.750 -11.075 -4.663 1.00 62.34 N ATOM 217 CA ALA A 14 4.700 -10.051 -4.598 1.00 31.30 C ATOM 218 C ALA A 14 4.928 -9.111 -3.407 1.00 32.52 C ATOM 219 O ALA A 14 4.580 -7.933 -3.457 1.00 61.13 O ATOM 220 CB ALA A 14 3.325 -10.699 -4.511 1.00 73.10 C ATOM 0 H ALA A 14 5.421 -12.024 -4.485 1.00 62.34 H new ATOM 0 HA ALA A 14 4.746 -9.459 -5.512 1.00 31.30 H new ATOM 0 HB1 ALA A 14 2.560 -9.924 -4.464 1.00 73.10 H new ATOM 0 HB2 ALA A 14 3.159 -11.320 -5.392 1.00 73.10 H new ATOM 0 HB3 ALA A 14 3.270 -11.318 -3.615 1.00 73.10 H new ATOM 226 N PHE A 15 5.505 -9.652 -2.334 1.00 4.14 N ATOM 227 CA PHE A 15 5.955 -8.841 -1.194 1.00 30.44 C ATOM 228 C PHE A 15 6.919 -7.742 -1.668 1.00 75.21 C ATOM 229 O PHE A 15 6.773 -6.569 -1.313 1.00 12.43 O ATOM 230 CB PHE A 15 6.638 -9.745 -0.150 1.00 60.11 C ATOM 231 CG PHE A 15 7.362 -9.001 0.951 1.00 62.42 C ATOM 232 CD1 PHE A 15 6.677 -8.538 2.065 1.00 60.31 C ATOM 233 CD2 PHE A 15 8.732 -8.768 0.870 1.00 35.53 C ATOM 234 CE1 PHE A 15 7.339 -7.859 3.071 1.00 60.43 C ATOM 235 CE2 PHE A 15 9.396 -8.091 1.874 1.00 22.31 C ATOM 236 CZ PHE A 15 8.699 -7.636 2.975 1.00 5.04 C ATOM 0 H PHE A 15 5.674 -10.652 -2.227 1.00 4.14 H new ATOM 0 HA PHE A 15 5.091 -8.362 -0.734 1.00 30.44 H new ATOM 0 HB2 PHE A 15 5.884 -10.391 0.301 1.00 60.11 H new ATOM 0 HB3 PHE A 15 7.350 -10.394 -0.661 1.00 60.11 H new ATOM 0 HD1 PHE A 15 5.614 -8.710 2.147 1.00 60.31 H new ATOM 0 HD2 PHE A 15 9.283 -9.121 0.011 1.00 35.53 H new ATOM 0 HE1 PHE A 15 6.793 -7.503 3.932 1.00 60.43 H new ATOM 0 HE2 PHE A 15 10.459 -7.918 1.798 1.00 22.31 H new ATOM 0 HZ PHE A 15 9.216 -7.106 3.761 1.00 5.04 H new ATOM 246 N GLU A 16 7.900 -8.140 -2.480 1.00 54.13 N ATOM 247 CA GLU A 16 8.853 -7.200 -3.080 1.00 32.33 C ATOM 248 C GLU A 16 8.126 -6.171 -3.961 1.00 12.14 C ATOM 249 O GLU A 16 8.319 -4.968 -3.806 1.00 21.13 O ATOM 250 CB GLU A 16 9.908 -7.983 -3.893 1.00 74.11 C ATOM 251 CG GLU A 16 11.002 -7.130 -4.555 1.00 43.44 C ATOM 252 CD GLU A 16 10.628 -6.612 -5.942 1.00 23.54 C ATOM 253 OE1 GLU A 16 10.104 -7.399 -6.758 1.00 54.11 O ATOM 254 OE2 GLU A 16 10.870 -5.418 -6.228 1.00 33.35 O ATOM 0 H GLU A 16 8.057 -9.114 -2.740 1.00 54.13 H new ATOM 0 HA GLU A 16 9.359 -6.650 -2.286 1.00 32.33 H new ATOM 0 HB2 GLU A 16 10.386 -8.707 -3.233 1.00 74.11 H new ATOM 0 HB3 GLU A 16 9.395 -8.550 -4.669 1.00 74.11 H new ATOM 0 HG2 GLU A 16 11.228 -6.281 -3.910 1.00 43.44 H new ATOM 0 HG3 GLU A 16 11.914 -7.722 -4.633 1.00 43.44 H new ATOM 261 N LYS A 17 7.270 -6.662 -4.862 1.00 32.51 N ATOM 262 CA LYS A 17 6.509 -5.798 -5.781 1.00 43.40 C ATOM 263 C LYS A 17 5.664 -4.750 -5.036 1.00 25.32 C ATOM 264 O LYS A 17 5.771 -3.552 -5.300 1.00 23.40 O ATOM 265 CB LYS A 17 5.593 -6.655 -6.667 1.00 71.34 C ATOM 266 CG LYS A 17 6.339 -7.637 -7.563 1.00 65.10 C ATOM 267 CD LYS A 17 7.271 -6.922 -8.533 1.00 22.02 C ATOM 268 CE LYS A 17 7.985 -7.902 -9.451 1.00 74.32 C ATOM 269 NZ LYS A 17 8.733 -8.937 -8.684 1.00 52.11 N ATOM 0 H LYS A 17 7.083 -7.658 -4.978 1.00 32.51 H new ATOM 0 HA LYS A 17 7.235 -5.263 -6.394 1.00 43.40 H new ATOM 0 HB2 LYS A 17 4.905 -7.211 -6.030 1.00 71.34 H new ATOM 0 HB3 LYS A 17 4.989 -5.997 -7.291 1.00 71.34 H new ATOM 0 HG2 LYS A 17 6.916 -8.326 -6.946 1.00 65.10 H new ATOM 0 HG3 LYS A 17 5.621 -8.236 -8.123 1.00 65.10 H new ATOM 0 HD2 LYS A 17 6.699 -6.213 -9.132 1.00 22.02 H new ATOM 0 HD3 LYS A 17 8.007 -6.345 -7.973 1.00 22.02 H new ATOM 0 HE2 LYS A 17 7.257 -8.387 -10.101 1.00 74.32 H new ATOM 0 HE3 LYS A 17 8.675 -7.358 -10.096 1.00 74.32 H new ATOM 0 HZ1 LYS A 17 9.492 -9.328 -9.278 1.00 52.11 H new ATOM 0 HZ2 LYS A 17 9.147 -8.507 -7.832 1.00 52.11 H new ATOM 0 HZ3 LYS A 17 8.083 -9.700 -8.406 1.00 52.11 H new ATOM 283 N ALA A 18 4.825 -5.209 -4.109 1.00 70.20 N ATOM 284 CA ALA A 18 3.928 -4.320 -3.363 1.00 64.24 C ATOM 285 C ALA A 18 4.698 -3.202 -2.643 1.00 3.41 C ATOM 286 O ALA A 18 4.400 -2.019 -2.816 1.00 0.21 O ATOM 287 CB ALA A 18 3.093 -5.124 -2.370 1.00 62.41 C ATOM 0 H ALA A 18 4.746 -6.193 -3.854 1.00 70.20 H new ATOM 0 HA ALA A 18 3.262 -3.843 -4.082 1.00 64.24 H new ATOM 0 HB1 ALA A 18 2.432 -4.452 -1.823 1.00 62.41 H new ATOM 0 HB2 ALA A 18 2.497 -5.861 -2.908 1.00 62.41 H new ATOM 0 HB3 ALA A 18 3.753 -5.634 -1.668 1.00 62.41 H new ATOM 293 N LEU A 19 5.696 -3.580 -1.849 1.00 61.20 N ATOM 294 CA LEU A 19 6.528 -2.605 -1.137 1.00 44.31 C ATOM 295 C LEU A 19 7.289 -1.706 -2.131 1.00 73.52 C ATOM 296 O LEU A 19 7.460 -0.509 -1.902 1.00 73.41 O ATOM 297 CB LEU A 19 7.515 -3.334 -0.208 1.00 70.00 C ATOM 298 CG LEU A 19 8.387 -2.428 0.681 1.00 62.53 C ATOM 299 CD1 LEU A 19 7.519 -1.594 1.621 1.00 24.44 C ATOM 300 CD2 LEU A 19 9.398 -3.260 1.475 1.00 73.12 C ATOM 0 H LEU A 19 5.951 -4.553 -1.680 1.00 61.20 H new ATOM 0 HA LEU A 19 5.879 -1.970 -0.534 1.00 44.31 H new ATOM 0 HB2 LEU A 19 6.950 -4.008 0.436 1.00 70.00 H new ATOM 0 HB3 LEU A 19 8.172 -3.953 -0.819 1.00 70.00 H new ATOM 0 HG LEU A 19 8.939 -1.747 0.033 1.00 62.53 H new ATOM 0 HD11 LEU A 19 8.156 -0.962 2.239 1.00 24.44 H new ATOM 0 HD12 LEU A 19 6.846 -0.968 1.035 1.00 24.44 H new ATOM 0 HD13 LEU A 19 6.935 -2.256 2.260 1.00 24.44 H new ATOM 0 HD21 LEU A 19 10.004 -2.600 2.096 1.00 73.12 H new ATOM 0 HD22 LEU A 19 8.867 -3.970 2.109 1.00 73.12 H new ATOM 0 HD23 LEU A 19 10.044 -3.803 0.785 1.00 73.12 H new ATOM 312 N LYS A 20 7.721 -2.299 -3.244 1.00 40.44 N ATOM 313 CA LYS A 20 8.466 -1.585 -4.292 1.00 31.30 C ATOM 314 C LYS A 20 7.659 -0.410 -4.863 1.00 2.33 C ATOM 315 O LYS A 20 8.153 0.717 -4.948 1.00 44.21 O ATOM 316 CB LYS A 20 8.807 -2.560 -5.425 1.00 4.43 C ATOM 317 CG LYS A 20 9.822 -2.040 -6.434 1.00 24.33 C ATOM 318 CD LYS A 20 11.226 -1.965 -5.837 1.00 72.34 C ATOM 319 CE LYS A 20 12.293 -2.130 -6.909 1.00 14.22 C ATOM 320 NZ LYS A 20 12.145 -3.425 -7.627 1.00 5.50 N ATOM 0 H LYS A 20 7.567 -3.286 -3.448 1.00 40.44 H new ATOM 0 HA LYS A 20 9.376 -1.185 -3.844 1.00 31.30 H new ATOM 0 HB2 LYS A 20 9.190 -3.482 -4.988 1.00 4.43 H new ATOM 0 HB3 LYS A 20 7.889 -2.815 -5.954 1.00 4.43 H new ATOM 0 HG2 LYS A 20 9.833 -2.691 -7.308 1.00 24.33 H new ATOM 0 HG3 LYS A 20 9.519 -1.051 -6.777 1.00 24.33 H new ATOM 0 HD2 LYS A 20 11.359 -1.007 -5.334 1.00 72.34 H new ATOM 0 HD3 LYS A 20 11.344 -2.741 -5.081 1.00 72.34 H new ATOM 0 HE2 LYS A 20 12.226 -1.308 -7.621 1.00 14.22 H new ATOM 0 HE3 LYS A 20 13.281 -2.076 -6.452 1.00 14.22 H new ATOM 0 HZ1 LYS A 20 13.085 -3.835 -7.800 1.00 5.50 H new ATOM 0 HZ2 LYS A 20 11.583 -4.081 -7.048 1.00 5.50 H new ATOM 0 HZ3 LYS A 20 11.664 -3.265 -8.535 1.00 5.50 H new ATOM 334 N GLU A 21 6.419 -0.693 -5.258 1.00 64.11 N ATOM 335 CA GLU A 21 5.532 0.309 -5.859 1.00 54.40 C ATOM 336 C GLU A 21 5.242 1.466 -4.894 1.00 52.10 C ATOM 337 O GLU A 21 5.341 2.641 -5.264 1.00 51.54 O ATOM 338 CB GLU A 21 4.216 -0.353 -6.292 1.00 21.53 C ATOM 339 CG GLU A 21 4.392 -1.478 -7.311 1.00 72.53 C ATOM 340 CD GLU A 21 4.907 -0.990 -8.653 1.00 62.54 C ATOM 341 OE1 GLU A 21 6.129 -0.775 -8.796 1.00 30.43 O ATOM 342 OE2 GLU A 21 4.082 -0.798 -9.573 1.00 3.40 O ATOM 0 H GLU A 21 5.999 -1.619 -5.172 1.00 64.11 H new ATOM 0 HA GLU A 21 6.040 0.723 -6.730 1.00 54.40 H new ATOM 0 HB2 GLU A 21 3.714 -0.751 -5.410 1.00 21.53 H new ATOM 0 HB3 GLU A 21 3.561 0.408 -6.716 1.00 21.53 H new ATOM 0 HG2 GLU A 21 5.084 -2.218 -6.910 1.00 72.53 H new ATOM 0 HG3 GLU A 21 3.436 -1.981 -7.456 1.00 72.53 H new ATOM 349 N MET A 22 4.894 1.132 -3.654 1.00 33.22 N ATOM 350 CA MET A 22 4.574 2.152 -2.650 1.00 44.55 C ATOM 351 C MET A 22 5.785 3.063 -2.372 1.00 34.22 C ATOM 352 O MET A 22 5.640 4.279 -2.228 1.00 62.11 O ATOM 353 CB MET A 22 4.082 1.502 -1.349 1.00 74.31 C ATOM 354 CG MET A 22 2.981 0.465 -1.559 1.00 63.25 C ATOM 355 SD MET A 22 1.741 0.974 -2.773 1.00 11.32 S ATOM 356 CE MET A 22 1.076 2.462 -2.029 1.00 44.04 C ATOM 0 H MET A 22 4.826 0.171 -3.319 1.00 33.22 H new ATOM 0 HA MET A 22 3.772 2.771 -3.053 1.00 44.55 H new ATOM 0 HB2 MET A 22 4.926 1.027 -0.849 1.00 74.31 H new ATOM 0 HB3 MET A 22 3.713 2.280 -0.681 1.00 74.31 H new ATOM 0 HG2 MET A 22 3.432 -0.473 -1.882 1.00 63.25 H new ATOM 0 HG3 MET A 22 2.488 0.270 -0.606 1.00 63.25 H new ATOM 0 HE1 MET A 22 0.015 2.544 -2.265 1.00 44.04 H new ATOM 0 HE2 MET A 22 1.205 2.417 -0.948 1.00 44.04 H new ATOM 0 HE3 MET A 22 1.603 3.332 -2.421 1.00 44.04 H new ATOM 366 N ILE A 23 6.978 2.471 -2.307 1.00 1.30 N ATOM 367 CA ILE A 23 8.216 3.246 -2.159 1.00 43.20 C ATOM 368 C ILE A 23 8.500 4.073 -3.426 1.00 72.21 C ATOM 369 O ILE A 23 8.965 5.213 -3.345 1.00 62.34 O ATOM 370 CB ILE A 23 9.428 2.327 -1.852 1.00 30.44 C ATOM 371 CG1 ILE A 23 9.223 1.605 -0.507 1.00 51.31 C ATOM 372 CG2 ILE A 23 10.733 3.128 -1.837 1.00 1.50 C ATOM 373 CD1 ILE A 23 10.366 0.686 -0.116 1.00 40.32 C ATOM 0 H ILE A 23 7.116 1.461 -2.354 1.00 1.30 H new ATOM 0 HA ILE A 23 8.074 3.923 -1.316 1.00 43.20 H new ATOM 0 HB ILE A 23 9.500 1.581 -2.643 1.00 30.44 H new ATOM 0 HG12 ILE A 23 9.086 2.351 0.276 1.00 51.31 H new ATOM 0 HG13 ILE A 23 8.303 1.022 -0.556 1.00 51.31 H new ATOM 0 HG21 ILE A 23 11.567 2.461 -1.620 1.00 1.50 H new ATOM 0 HG22 ILE A 23 10.885 3.594 -2.811 1.00 1.50 H new ATOM 0 HG23 ILE A 23 10.677 3.900 -1.070 1.00 1.50 H new ATOM 0 HD11 ILE A 23 10.144 0.216 0.842 1.00 40.32 H new ATOM 0 HD12 ILE A 23 10.490 -0.084 -0.877 1.00 40.32 H new ATOM 0 HD13 ILE A 23 11.286 1.265 -0.032 1.00 40.32 H new ATOM 385 N ARG A 24 8.203 3.496 -4.592 1.00 4.41 N ATOM 386 CA ARG A 24 8.355 4.199 -5.874 1.00 52.11 C ATOM 387 C ARG A 24 7.580 5.528 -5.872 1.00 14.40 C ATOM 388 O ARG A 24 8.078 6.552 -6.346 1.00 72.21 O ATOM 389 CB ARG A 24 7.881 3.297 -7.032 1.00 34.55 C ATOM 390 CG ARG A 24 7.855 3.983 -8.401 1.00 30.21 C ATOM 391 CD ARG A 24 7.519 3.010 -9.538 1.00 31.24 C ATOM 392 NE ARG A 24 6.290 2.248 -9.292 1.00 5.44 N ATOM 393 CZ ARG A 24 5.075 2.714 -9.456 1.00 54.31 C ATOM 394 NH1 ARG A 24 4.874 3.922 -9.869 1.00 74.31 N ATOM 395 NH2 ARG A 24 4.062 1.953 -9.228 1.00 11.41 N ATOM 0 H ARG A 24 7.855 2.541 -4.678 1.00 4.41 H new ATOM 0 HA ARG A 24 9.411 4.429 -6.016 1.00 52.11 H new ATOM 0 HB2 ARG A 24 8.534 2.426 -7.088 1.00 34.55 H new ATOM 0 HB3 ARG A 24 6.880 2.931 -6.804 1.00 34.55 H new ATOM 0 HG2 ARG A 24 7.120 4.788 -8.387 1.00 30.21 H new ATOM 0 HG3 ARG A 24 8.825 4.441 -8.593 1.00 30.21 H new ATOM 0 HD2 ARG A 24 7.414 3.568 -10.468 1.00 31.24 H new ATOM 0 HD3 ARG A 24 8.349 2.317 -9.674 1.00 31.24 H new ATOM 0 HE ARG A 24 6.387 1.285 -8.970 1.00 5.44 H new ATOM 0 HH11 ARG A 24 5.667 4.530 -10.073 1.00 74.31 H new ATOM 0 HH12 ARG A 24 3.922 4.268 -9.991 1.00 74.31 H new ATOM 0 HH21 ARG A 24 4.206 0.991 -8.921 1.00 11.41 H new ATOM 0 HH22 ARG A 24 3.116 2.312 -9.354 1.00 11.41 H new ATOM 409 N GLN A 25 6.362 5.503 -5.334 1.00 53.11 N ATOM 410 CA GLN A 25 5.548 6.718 -5.188 1.00 23.25 C ATOM 411 C GLN A 25 6.067 7.611 -4.048 1.00 0.21 C ATOM 412 O GLN A 25 6.246 8.820 -4.220 1.00 51.54 O ATOM 413 CB GLN A 25 4.081 6.344 -4.925 1.00 21.13 C ATOM 414 CG GLN A 25 3.432 5.548 -6.052 1.00 72.43 C ATOM 415 CD GLN A 25 3.440 6.297 -7.373 1.00 53.11 C ATOM 416 OE1 GLN A 25 4.476 6.104 -8.160 1.00 41.23 O flip ATOM 417 NE2 GLN A 25 2.518 7.043 -7.688 1.00 30.11 N flip ATOM 0 H GLN A 25 5.912 4.655 -4.990 1.00 53.11 H new ATOM 0 HA GLN A 25 5.621 7.279 -6.120 1.00 23.25 H new ATOM 0 HB2 GLN A 25 4.024 5.763 -4.004 1.00 21.13 H new ATOM 0 HB3 GLN A 25 3.508 7.257 -4.762 1.00 21.13 H new ATOM 0 HG2 GLN A 25 3.957 4.600 -6.172 1.00 72.43 H new ATOM 0 HG3 GLN A 25 2.404 5.310 -5.779 1.00 72.43 H new ATOM 0 HE21 GLN A 25 1.728 7.172 -7.056 1.00 30.11 H new ATOM 0 HE22 GLN A 25 2.542 7.534 -8.582 1.00 30.11 H new ATOM 426 N ALA A 26 6.318 7.004 -2.890 1.00 71.45 N ATOM 427 CA ALA A 26 6.734 7.738 -1.685 1.00 51.35 C ATOM 428 C ALA A 26 7.962 8.631 -1.927 1.00 51.04 C ATOM 429 O ALA A 26 7.977 9.798 -1.530 1.00 33.42 O ATOM 430 CB ALA A 26 7.018 6.759 -0.561 1.00 23.03 C ATOM 0 H ALA A 26 6.241 5.996 -2.755 1.00 71.45 H new ATOM 0 HA ALA A 26 5.911 8.397 -1.409 1.00 51.35 H new ATOM 0 HB1 ALA A 26 7.326 7.307 0.330 1.00 23.03 H new ATOM 0 HB2 ALA A 26 6.117 6.186 -0.341 1.00 23.03 H new ATOM 0 HB3 ALA A 26 7.815 6.080 -0.863 1.00 23.03 H new ATOM 436 N ARG A 27 8.984 8.077 -2.582 1.00 24.12 N ATOM 437 CA ARG A 27 10.212 8.824 -2.892 1.00 64.41 C ATOM 438 C ARG A 27 9.910 10.104 -3.694 1.00 45.33 C ATOM 439 O ARG A 27 10.572 11.131 -3.523 1.00 71.21 O ATOM 440 CB ARG A 27 11.186 7.933 -3.679 1.00 54.41 C ATOM 441 CG ARG A 27 11.779 6.774 -2.873 1.00 14.32 C ATOM 442 CD ARG A 27 12.967 7.207 -2.009 1.00 75.53 C ATOM 443 NE ARG A 27 12.596 8.140 -0.945 1.00 12.30 N ATOM 444 CZ ARG A 27 13.396 9.062 -0.465 1.00 32.42 C ATOM 445 NH1 ARG A 27 14.582 9.231 -0.960 1.00 10.24 N ATOM 446 NH2 ARG A 27 13.002 9.814 0.513 1.00 24.31 N ATOM 0 H ARG A 27 8.989 7.111 -2.910 1.00 24.12 H new ATOM 0 HA ARG A 27 10.669 9.119 -1.947 1.00 64.41 H new ATOM 0 HB2 ARG A 27 10.667 7.527 -4.547 1.00 54.41 H new ATOM 0 HB3 ARG A 27 12.001 8.551 -4.056 1.00 54.41 H new ATOM 0 HG2 ARG A 27 11.006 6.347 -2.234 1.00 14.32 H new ATOM 0 HG3 ARG A 27 12.099 5.987 -3.556 1.00 14.32 H new ATOM 0 HD2 ARG A 27 13.426 6.324 -1.565 1.00 75.53 H new ATOM 0 HD3 ARG A 27 13.720 7.672 -2.645 1.00 75.53 H new ATOM 0 HE ARG A 27 11.657 8.069 -0.552 1.00 12.30 H new ATOM 0 HH11 ARG A 27 14.901 8.644 -1.731 1.00 10.24 H new ATOM 0 HH12 ARG A 27 15.196 9.951 -0.579 1.00 10.24 H new ATOM 0 HH21 ARG A 27 12.070 9.689 0.909 1.00 24.31 H new ATOM 0 HH22 ARG A 27 13.623 10.531 0.887 1.00 24.31 H new ATOM 460 N LYS A 28 8.898 10.038 -4.555 1.00 14.34 N ATOM 461 CA LYS A 28 8.496 11.187 -5.375 1.00 54.40 C ATOM 462 C LYS A 28 7.785 12.260 -4.528 1.00 14.15 C ATOM 463 O LYS A 28 7.896 13.457 -4.795 1.00 63.34 O ATOM 464 CB LYS A 28 7.579 10.718 -6.515 1.00 20.13 C ATOM 465 CG LYS A 28 8.229 9.683 -7.433 1.00 20.24 C ATOM 466 CD LYS A 28 7.249 9.132 -8.470 1.00 1.34 C ATOM 467 CE LYS A 28 6.751 10.211 -9.426 1.00 50.21 C ATOM 468 NZ LYS A 28 7.861 10.836 -10.195 1.00 0.40 N ATOM 0 H LYS A 28 8.337 9.200 -4.706 1.00 14.34 H new ATOM 0 HA LYS A 28 9.396 11.636 -5.795 1.00 54.40 H new ATOM 0 HB2 LYS A 28 6.670 10.294 -6.088 1.00 20.13 H new ATOM 0 HB3 LYS A 28 7.280 11.582 -7.109 1.00 20.13 H new ATOM 0 HG2 LYS A 28 9.079 10.136 -7.944 1.00 20.24 H new ATOM 0 HG3 LYS A 28 8.619 8.861 -6.832 1.00 20.24 H new ATOM 0 HD2 LYS A 28 7.734 8.340 -9.040 1.00 1.34 H new ATOM 0 HD3 LYS A 28 6.398 8.681 -7.959 1.00 1.34 H new ATOM 0 HE2 LYS A 28 6.031 9.776 -10.119 1.00 50.21 H new ATOM 0 HE3 LYS A 28 6.225 10.980 -8.861 1.00 50.21 H new ATOM 0 HZ1 LYS A 28 7.467 11.424 -10.957 1.00 0.40 H new ATOM 0 HZ2 LYS A 28 8.432 11.430 -9.560 1.00 0.40 H new ATOM 0 HZ3 LYS A 28 8.461 10.092 -10.606 1.00 0.40 H new ATOM 482 N PHE A 29 7.059 11.817 -3.500 1.00 34.13 N ATOM 483 CA PHE A 29 6.320 12.733 -2.617 1.00 1.25 C ATOM 484 C PHE A 29 7.117 13.068 -1.342 1.00 70.12 C ATOM 485 O PHE A 29 6.693 13.904 -0.540 1.00 61.31 O ATOM 486 CB PHE A 29 4.968 12.113 -2.226 1.00 50.24 C ATOM 487 CG PHE A 29 4.154 11.640 -3.403 1.00 61.31 C ATOM 488 CD1 PHE A 29 3.848 12.505 -4.444 1.00 14.41 C ATOM 489 CD2 PHE A 29 3.696 10.331 -3.469 1.00 10.40 C ATOM 490 CE1 PHE A 29 3.106 12.073 -5.526 1.00 74.35 C ATOM 491 CE2 PHE A 29 2.953 9.897 -4.549 1.00 20.44 C ATOM 492 CZ PHE A 29 2.658 10.768 -5.579 1.00 64.30 C ATOM 0 H PHE A 29 6.964 10.831 -3.255 1.00 34.13 H new ATOM 0 HA PHE A 29 6.159 13.659 -3.169 1.00 1.25 H new ATOM 0 HB2 PHE A 29 5.145 11.271 -1.556 1.00 50.24 H new ATOM 0 HB3 PHE A 29 4.389 12.849 -1.668 1.00 50.24 H new ATOM 0 HD1 PHE A 29 4.194 13.527 -4.408 1.00 14.41 H new ATOM 0 HD2 PHE A 29 3.923 9.645 -2.667 1.00 10.40 H new ATOM 0 HE1 PHE A 29 2.876 12.756 -6.331 1.00 74.35 H new ATOM 0 HE2 PHE A 29 2.603 8.876 -4.588 1.00 20.44 H new ATOM 0 HZ PHE A 29 2.078 10.429 -6.425 1.00 64.30 H new ATOM 502 N ALA A 30 8.261 12.403 -1.160 1.00 15.13 N ATOM 503 CA ALA A 30 9.094 12.567 0.043 1.00 41.42 C ATOM 504 C ALA A 30 8.340 12.137 1.315 1.00 64.10 C ATOM 505 O ALA A 30 8.636 12.602 2.421 1.00 0.05 O ATOM 506 CB ALA A 30 9.585 14.009 0.160 1.00 13.34 C ATOM 0 H ALA A 30 8.638 11.738 -1.836 1.00 15.13 H new ATOM 0 HA ALA A 30 9.961 11.914 -0.058 1.00 41.42 H new ATOM 0 HB1 ALA A 30 10.199 14.113 1.055 1.00 13.34 H new ATOM 0 HB2 ALA A 30 10.178 14.264 -0.719 1.00 13.34 H new ATOM 0 HB3 ALA A 30 8.729 14.680 0.228 1.00 13.34 H new ATOM 512 N GLY A 31 7.389 11.219 1.151 1.00 51.50 N ATOM 513 CA GLY A 31 6.575 10.759 2.270 1.00 45.11 C ATOM 514 C GLY A 31 7.260 9.686 3.113 1.00 35.14 C ATOM 515 O GLY A 31 8.162 8.990 2.641 1.00 74.12 O ATOM 0 H GLY A 31 7.165 10.782 0.257 1.00 51.50 H new ATOM 0 HA2 GLY A 31 6.330 11.610 2.906 1.00 45.11 H new ATOM 0 HA3 GLY A 31 5.633 10.365 1.888 1.00 45.11 H new ATOM 519 N THR A 32 6.834 9.558 4.366 1.00 14.34 N ATOM 520 CA THR A 32 7.386 8.546 5.281 1.00 62.41 C ATOM 521 C THR A 32 6.623 7.221 5.158 1.00 42.22 C ATOM 522 O THR A 32 5.398 7.199 5.236 1.00 72.31 O ATOM 523 CB THR A 32 7.320 9.021 6.755 1.00 74.22 C ATOM 524 OG1 THR A 32 8.016 10.268 6.906 1.00 54.15 O ATOM 525 CG2 THR A 32 7.923 7.986 7.703 1.00 61.45 C ATOM 0 H THR A 32 6.106 10.141 4.779 1.00 14.34 H new ATOM 0 HA THR A 32 8.428 8.398 4.997 1.00 62.41 H new ATOM 0 HB THR A 32 6.269 9.153 7.012 1.00 74.22 H new ATOM 0 HG1 THR A 32 7.966 10.559 7.840 1.00 54.15 H new ATOM 0 HG21 THR A 32 7.860 8.351 8.728 1.00 61.45 H new ATOM 0 HG22 THR A 32 7.372 7.049 7.617 1.00 61.45 H new ATOM 0 HG23 THR A 32 8.968 7.818 7.441 1.00 61.45 H new ATOM 533 N VAL A 33 7.347 6.120 4.965 1.00 64.32 N ATOM 534 CA VAL A 33 6.721 4.799 4.819 1.00 22.53 C ATOM 535 C VAL A 33 7.257 3.790 5.846 1.00 32.35 C ATOM 536 O VAL A 33 8.433 3.424 5.823 1.00 73.15 O ATOM 537 CB VAL A 33 6.939 4.224 3.395 1.00 64.33 C ATOM 538 CG1 VAL A 33 6.282 2.852 3.251 1.00 24.50 C ATOM 539 CG2 VAL A 33 6.410 5.187 2.339 1.00 75.13 C ATOM 0 H VAL A 33 8.365 6.112 4.906 1.00 64.32 H new ATOM 0 HA VAL A 33 5.656 4.948 4.994 1.00 22.53 H new ATOM 0 HB VAL A 33 8.011 4.102 3.242 1.00 64.33 H new ATOM 0 HG11 VAL A 33 6.450 2.472 2.243 1.00 24.50 H new ATOM 0 HG12 VAL A 33 6.716 2.163 3.976 1.00 24.50 H new ATOM 0 HG13 VAL A 33 5.211 2.941 3.431 1.00 24.50 H new ATOM 0 HG21 VAL A 33 6.573 4.765 1.347 1.00 75.13 H new ATOM 0 HG22 VAL A 33 5.343 5.347 2.495 1.00 75.13 H new ATOM 0 HG23 VAL A 33 6.935 6.139 2.419 1.00 75.13 H new ATOM 549 N THR A 34 6.386 3.349 6.747 1.00 32.04 N ATOM 550 CA THR A 34 6.725 2.282 7.698 1.00 21.12 C ATOM 551 C THR A 34 6.024 0.976 7.310 1.00 43.10 C ATOM 552 O THR A 34 4.978 0.997 6.656 1.00 45.02 O ATOM 553 CB THR A 34 6.339 2.648 9.152 1.00 35.40 C ATOM 554 OG1 THR A 34 6.728 1.594 10.048 1.00 70.43 O ATOM 555 CG2 THR A 34 4.840 2.899 9.284 1.00 24.41 C ATOM 0 H THR A 34 5.437 3.711 6.843 1.00 32.04 H new ATOM 0 HA THR A 34 7.807 2.155 7.654 1.00 21.12 H new ATOM 0 HB THR A 34 6.866 3.566 9.413 1.00 35.40 H new ATOM 0 HG1 THR A 34 6.481 1.836 10.965 1.00 70.43 H new ATOM 0 HG21 THR A 34 4.603 3.153 10.317 1.00 24.41 H new ATOM 0 HG22 THR A 34 4.550 3.723 8.632 1.00 24.41 H new ATOM 0 HG23 THR A 34 4.294 2.000 8.997 1.00 24.41 H new ATOM 563 N TYR A 35 6.595 -0.157 7.707 1.00 43.32 N ATOM 564 CA TYR A 35 6.027 -1.463 7.356 1.00 22.30 C ATOM 565 C TYR A 35 6.230 -2.501 8.470 1.00 0.20 C ATOM 566 O TYR A 35 7.298 -2.575 9.086 1.00 10.20 O ATOM 567 CB TYR A 35 6.624 -1.971 6.032 1.00 13.41 C ATOM 568 CG TYR A 35 8.138 -2.104 6.038 1.00 1.41 C ATOM 569 CD1 TYR A 35 8.950 -1.002 5.789 1.00 0.30 C ATOM 570 CD2 TYR A 35 8.755 -3.327 6.294 1.00 74.23 C ATOM 571 CE1 TYR A 35 10.325 -1.115 5.793 1.00 3.02 C ATOM 572 CE2 TYR A 35 10.132 -3.445 6.300 1.00 44.14 C ATOM 573 CZ TYR A 35 10.912 -2.335 6.049 1.00 10.41 C ATOM 574 OH TYR A 35 12.287 -2.439 6.056 1.00 23.53 O ATOM 0 H TYR A 35 7.445 -0.202 8.269 1.00 43.32 H new ATOM 0 HA TYR A 35 4.953 -1.326 7.233 1.00 22.30 H new ATOM 0 HB2 TYR A 35 6.187 -2.942 5.799 1.00 13.41 H new ATOM 0 HB3 TYR A 35 6.334 -1.290 5.232 1.00 13.41 H new ATOM 0 HD1 TYR A 35 8.497 -0.042 5.589 1.00 0.30 H new ATOM 0 HD2 TYR A 35 8.147 -4.197 6.491 1.00 74.23 H new ATOM 0 HE1 TYR A 35 10.940 -0.249 5.596 1.00 3.02 H new ATOM 0 HE2 TYR A 35 10.595 -4.400 6.500 1.00 44.14 H new ATOM 0 HH TYR A 35 12.544 -3.364 6.253 1.00 23.53 H new ATOM 584 N THR A 36 5.191 -3.293 8.730 1.00 14.21 N ATOM 585 CA THR A 36 5.252 -4.359 9.741 1.00 12.12 C ATOM 586 C THR A 36 4.681 -5.676 9.190 1.00 42.44 C ATOM 587 O THR A 36 3.630 -5.690 8.547 1.00 74.52 O ATOM 588 CB THR A 36 4.476 -3.986 11.033 1.00 53.33 C ATOM 589 OG1 THR A 36 3.071 -3.871 10.762 1.00 53.13 O ATOM 590 CG2 THR A 36 4.984 -2.675 11.628 1.00 31.44 C ATOM 0 H THR A 36 4.291 -3.220 8.255 1.00 14.21 H new ATOM 0 HA THR A 36 6.306 -4.485 9.988 1.00 12.12 H new ATOM 0 HB THR A 36 4.643 -4.785 11.755 1.00 53.33 H new ATOM 0 HG1 THR A 36 2.766 -2.970 10.995 1.00 53.13 H new ATOM 0 HG21 THR A 36 4.420 -2.443 12.531 1.00 31.44 H new ATOM 0 HG22 THR A 36 6.041 -2.773 11.875 1.00 31.44 H new ATOM 0 HG23 THR A 36 4.854 -1.872 10.903 1.00 31.44 H new ATOM 598 N LEU A 37 5.386 -6.778 9.426 1.00 14.31 N ATOM 599 CA LEU A 37 4.924 -8.108 9.003 1.00 32.01 C ATOM 600 C LEU A 37 4.235 -8.850 10.161 1.00 22.25 C ATOM 601 O LEU A 37 4.900 -9.397 11.045 1.00 25.33 O ATOM 602 CB LEU A 37 6.103 -8.947 8.470 1.00 33.14 C ATOM 603 CG LEU A 37 6.561 -8.634 7.033 1.00 52.55 C ATOM 604 CD1 LEU A 37 5.429 -8.887 6.041 1.00 32.14 C ATOM 605 CD2 LEU A 37 7.078 -7.198 6.916 1.00 15.43 C ATOM 0 H LEU A 37 6.284 -6.782 9.910 1.00 14.31 H new ATOM 0 HA LEU A 37 4.197 -7.968 8.203 1.00 32.01 H new ATOM 0 HB2 LEU A 37 6.953 -8.809 9.139 1.00 33.14 H new ATOM 0 HB3 LEU A 37 5.825 -10.000 8.520 1.00 33.14 H new ATOM 0 HG LEU A 37 7.386 -9.304 6.790 1.00 52.55 H new ATOM 0 HD11 LEU A 37 5.772 -8.660 5.032 1.00 32.14 H new ATOM 0 HD12 LEU A 37 5.125 -9.932 6.095 1.00 32.14 H new ATOM 0 HD13 LEU A 37 4.580 -8.249 6.287 1.00 32.14 H new ATOM 0 HD21 LEU A 37 7.394 -7.007 5.890 1.00 15.43 H new ATOM 0 HD22 LEU A 37 6.284 -6.502 7.186 1.00 15.43 H new ATOM 0 HD23 LEU A 37 7.925 -7.060 7.588 1.00 15.43 H new ATOM 617 N ASP A 38 2.903 -8.858 10.160 1.00 73.04 N ATOM 618 CA ASP A 38 2.133 -9.548 11.202 1.00 63.24 C ATOM 619 C ASP A 38 1.691 -10.943 10.724 1.00 45.33 C ATOM 620 O ASP A 38 0.702 -11.079 10.004 1.00 32.15 O ATOM 621 CB ASP A 38 0.914 -8.704 11.608 1.00 64.22 C ATOM 622 CG ASP A 38 0.147 -9.313 12.770 1.00 63.11 C ATOM 623 OD1 ASP A 38 0.761 -9.545 13.833 1.00 13.30 O ATOM 624 OD2 ASP A 38 -1.064 -9.574 12.629 1.00 22.02 O ATOM 0 H ASP A 38 2.332 -8.396 9.452 1.00 73.04 H new ATOM 0 HA ASP A 38 2.774 -9.678 12.074 1.00 63.24 H new ATOM 0 HB2 ASP A 38 1.244 -7.702 11.880 1.00 64.22 H new ATOM 0 HB3 ASP A 38 0.247 -8.599 10.752 1.00 64.22 H new ATOM 629 N GLY A 39 2.446 -11.971 11.107 1.00 45.21 N ATOM 630 CA GLY A 39 2.129 -13.340 10.703 1.00 22.30 C ATOM 631 C GLY A 39 2.285 -13.572 9.200 1.00 52.54 C ATOM 632 O GLY A 39 3.271 -14.160 8.744 1.00 62.24 O ATOM 0 H GLY A 39 3.276 -11.884 11.693 1.00 45.21 H new ATOM 0 HA2 GLY A 39 2.778 -14.031 11.241 1.00 22.30 H new ATOM 0 HA3 GLY A 39 1.105 -13.571 10.996 1.00 22.30 H new ATOM 636 N ASN A 40 1.300 -13.120 8.427 1.00 74.12 N ATOM 637 CA ASN A 40 1.345 -13.217 6.964 1.00 51.34 C ATOM 638 C ASN A 40 0.715 -11.977 6.300 1.00 62.14 C ATOM 639 O ASN A 40 0.409 -11.987 5.105 1.00 44.23 O ATOM 640 CB ASN A 40 0.650 -14.506 6.500 1.00 14.14 C ATOM 641 CG ASN A 40 -0.784 -14.612 6.985 1.00 3.25 C ATOM 642 OD1 ASN A 40 -1.724 -14.228 6.150 1.00 35.43 O flip ATOM 643 ND2 ASN A 40 -1.045 -15.061 8.094 1.00 3.41 N flip ATOM 0 H ASN A 40 0.454 -12.680 8.789 1.00 74.12 H new ATOM 0 HA ASN A 40 2.389 -13.254 6.654 1.00 51.34 H new ATOM 0 HB2 ASN A 40 0.664 -14.548 5.411 1.00 14.14 H new ATOM 0 HB3 ASN A 40 1.214 -15.367 6.860 1.00 14.14 H new ATOM 0 HD21 ASN A 40 -0.291 -15.350 8.718 1.00 3.41 H new ATOM 0 HD22 ASN A 40 -2.016 -15.146 8.394 1.00 3.41 H new ATOM 650 N ASP A 41 0.543 -10.911 7.085 1.00 74.45 N ATOM 651 CA ASP A 41 0.002 -9.637 6.589 1.00 61.22 C ATOM 652 C ASP A 41 1.105 -8.562 6.492 1.00 41.44 C ATOM 653 O ASP A 41 1.843 -8.327 7.453 1.00 24.33 O ATOM 654 CB ASP A 41 -1.115 -9.144 7.520 1.00 3.40 C ATOM 655 CG ASP A 41 -2.277 -10.120 7.618 1.00 32.32 C ATOM 656 OD1 ASP A 41 -2.130 -11.165 8.288 1.00 32.22 O ATOM 657 OD2 ASP A 41 -3.351 -9.843 7.039 1.00 50.51 O ATOM 0 H ASP A 41 0.773 -10.903 8.079 1.00 74.45 H new ATOM 0 HA ASP A 41 -0.401 -9.808 5.591 1.00 61.22 H new ATOM 0 HB2 ASP A 41 -0.704 -8.975 8.515 1.00 3.40 H new ATOM 0 HB3 ASP A 41 -1.483 -8.183 7.160 1.00 3.40 H new ATOM 662 N LEU A 42 1.212 -7.919 5.330 1.00 1.33 N ATOM 663 CA LEU A 42 2.177 -6.831 5.116 1.00 54.23 C ATOM 664 C LEU A 42 1.526 -5.450 5.341 1.00 53.14 C ATOM 665 O LEU A 42 0.804 -4.936 4.485 1.00 45.31 O ATOM 666 CB LEU A 42 2.769 -6.919 3.697 1.00 2.03 C ATOM 667 CG LEU A 42 3.664 -5.738 3.270 1.00 53.21 C ATOM 668 CD1 LEU A 42 4.854 -5.577 4.215 1.00 21.33 C ATOM 669 CD2 LEU A 42 4.138 -5.918 1.828 1.00 14.40 C ATOM 0 H LEU A 42 0.639 -8.132 4.514 1.00 1.33 H new ATOM 0 HA LEU A 42 2.980 -6.944 5.845 1.00 54.23 H new ATOM 0 HB2 LEU A 42 3.351 -7.837 3.623 1.00 2.03 H new ATOM 0 HB3 LEU A 42 1.948 -7.004 2.985 1.00 2.03 H new ATOM 0 HG LEU A 42 3.069 -4.827 3.326 1.00 53.21 H new ATOM 0 HD11 LEU A 42 5.467 -4.737 3.889 1.00 21.33 H new ATOM 0 HD12 LEU A 42 4.493 -5.391 5.227 1.00 21.33 H new ATOM 0 HD13 LEU A 42 5.452 -6.488 4.205 1.00 21.33 H new ATOM 0 HD21 LEU A 42 4.768 -5.075 1.544 1.00 14.40 H new ATOM 0 HD22 LEU A 42 4.710 -6.842 1.746 1.00 14.40 H new ATOM 0 HD23 LEU A 42 3.275 -5.965 1.164 1.00 14.40 H new ATOM 681 N GLU A 43 1.789 -4.862 6.503 1.00 24.43 N ATOM 682 CA GLU A 43 1.233 -3.555 6.864 1.00 2.03 C ATOM 683 C GLU A 43 2.149 -2.403 6.410 1.00 11.54 C ATOM 684 O GLU A 43 3.210 -2.184 6.987 1.00 41.41 O ATOM 685 CB GLU A 43 1.026 -3.495 8.382 1.00 74.53 C ATOM 686 CG GLU A 43 0.517 -2.153 8.897 1.00 43.24 C ATOM 687 CD GLU A 43 0.395 -2.130 10.410 1.00 74.13 C ATOM 688 OE1 GLU A 43 -0.617 -2.636 10.938 1.00 51.42 O ATOM 689 OE2 GLU A 43 1.320 -1.622 11.081 1.00 23.31 O ATOM 0 H GLU A 43 2.389 -5.271 7.219 1.00 24.43 H new ATOM 0 HA GLU A 43 0.278 -3.436 6.353 1.00 2.03 H new ATOM 0 HB2 GLU A 43 0.319 -4.273 8.671 1.00 74.53 H new ATOM 0 HB3 GLU A 43 1.971 -3.724 8.874 1.00 74.53 H new ATOM 0 HG2 GLU A 43 1.195 -1.362 8.577 1.00 43.24 H new ATOM 0 HG3 GLU A 43 -0.455 -1.940 8.452 1.00 43.24 H new ATOM 696 N ILE A 44 1.733 -1.678 5.371 1.00 44.00 N ATOM 697 CA ILE A 44 2.488 -0.525 4.855 1.00 2.25 C ATOM 698 C ILE A 44 1.716 0.786 5.090 1.00 13.51 C ATOM 699 O ILE A 44 0.624 0.976 4.561 1.00 25.11 O ATOM 700 CB ILE A 44 2.764 -0.670 3.333 1.00 44.21 C ATOM 701 CG1 ILE A 44 3.546 -1.961 3.041 1.00 50.14 C ATOM 702 CG2 ILE A 44 3.520 0.551 2.800 1.00 71.35 C ATOM 703 CD1 ILE A 44 3.785 -2.209 1.565 1.00 24.20 C ATOM 0 H ILE A 44 0.869 -1.868 4.863 1.00 44.00 H new ATOM 0 HA ILE A 44 3.435 -0.496 5.394 1.00 2.25 H new ATOM 0 HB ILE A 44 1.805 -0.729 2.819 1.00 44.21 H new ATOM 0 HG12 ILE A 44 4.507 -1.916 3.553 1.00 50.14 H new ATOM 0 HG13 ILE A 44 3.001 -2.808 3.459 1.00 50.14 H new ATOM 0 HG21 ILE A 44 3.703 0.428 1.732 1.00 71.35 H new ATOM 0 HG22 ILE A 44 2.924 1.449 2.965 1.00 71.35 H new ATOM 0 HG23 ILE A 44 4.472 0.646 3.322 1.00 71.35 H new ATOM 0 HD11 ILE A 44 4.342 -3.137 1.438 1.00 24.20 H new ATOM 0 HD12 ILE A 44 2.828 -2.287 1.049 1.00 24.20 H new ATOM 0 HD13 ILE A 44 4.357 -1.382 1.145 1.00 24.20 H new ATOM 715 N ARG A 45 2.282 1.696 5.874 1.00 71.02 N ATOM 716 CA ARG A 45 1.618 2.975 6.165 1.00 24.13 C ATOM 717 C ARG A 45 2.421 4.170 5.633 1.00 13.51 C ATOM 718 O ARG A 45 3.587 4.363 5.988 1.00 12.15 O ATOM 719 CB ARG A 45 1.370 3.109 7.672 1.00 12.14 C ATOM 720 CG ARG A 45 0.358 2.095 8.190 1.00 34.22 C ATOM 721 CD ARG A 45 0.076 2.253 9.680 1.00 65.04 C ATOM 722 NE ARG A 45 -1.034 1.400 10.092 1.00 52.05 N ATOM 723 CZ ARG A 45 -1.104 0.752 11.216 1.00 30.23 C ATOM 724 NH1 ARG A 45 -0.158 0.841 12.097 1.00 24.01 N ATOM 725 NH2 ARG A 45 -2.129 0.003 11.451 1.00 32.22 N ATOM 0 H ARG A 45 3.192 1.580 6.320 1.00 71.02 H new ATOM 0 HA ARG A 45 0.659 2.980 5.648 1.00 24.13 H new ATOM 0 HB2 ARG A 45 2.312 2.981 8.205 1.00 12.14 H new ATOM 0 HB3 ARG A 45 1.014 4.116 7.890 1.00 12.14 H new ATOM 0 HG2 ARG A 45 -0.574 2.202 7.635 1.00 34.22 H new ATOM 0 HG3 ARG A 45 0.729 1.088 7.999 1.00 34.22 H new ATOM 0 HD2 ARG A 45 0.968 1.998 10.252 1.00 65.04 H new ATOM 0 HD3 ARG A 45 -0.158 3.294 9.902 1.00 65.04 H new ATOM 0 HE ARG A 45 -1.818 1.305 9.446 1.00 52.05 H new ATOM 0 HH11 ARG A 45 0.657 1.426 11.913 1.00 24.01 H new ATOM 0 HH12 ARG A 45 -0.228 0.326 12.975 1.00 24.01 H new ATOM 0 HH21 ARG A 45 -2.873 -0.075 10.758 1.00 32.22 H new ATOM 0 HH22 ARG A 45 -2.195 -0.510 12.330 1.00 32.22 H new ATOM 739 N ILE A 46 1.778 4.976 4.784 1.00 21.41 N ATOM 740 CA ILE A 46 2.437 6.112 4.127 1.00 21.44 C ATOM 741 C ILE A 46 1.920 7.457 4.668 1.00 71.12 C ATOM 742 O ILE A 46 0.753 7.811 4.489 1.00 52.20 O ATOM 743 CB ILE A 46 2.226 6.067 2.591 1.00 20.53 C ATOM 744 CG1 ILE A 46 2.674 4.710 2.021 1.00 63.31 C ATOM 745 CG2 ILE A 46 2.984 7.211 1.915 1.00 53.24 C ATOM 746 CD1 ILE A 46 2.473 4.574 0.525 1.00 20.13 C ATOM 0 H ILE A 46 0.796 4.863 4.533 1.00 21.41 H new ATOM 0 HA ILE A 46 3.501 6.030 4.348 1.00 21.44 H new ATOM 0 HB ILE A 46 1.162 6.188 2.386 1.00 20.53 H new ATOM 0 HG12 ILE A 46 3.729 4.561 2.251 1.00 63.31 H new ATOM 0 HG13 ILE A 46 2.123 3.916 2.525 1.00 63.31 H new ATOM 0 HG21 ILE A 46 2.826 7.166 0.837 1.00 53.24 H new ATOM 0 HG22 ILE A 46 2.618 8.165 2.296 1.00 53.24 H new ATOM 0 HG23 ILE A 46 4.049 7.119 2.130 1.00 53.24 H new ATOM 0 HD11 ILE A 46 2.813 3.591 0.200 1.00 20.13 H new ATOM 0 HD12 ILE A 46 1.415 4.689 0.288 1.00 20.13 H new ATOM 0 HD13 ILE A 46 3.046 5.344 0.009 1.00 20.13 H new ATOM 758 N THR A 47 2.805 8.205 5.318 1.00 33.33 N ATOM 759 CA THR A 47 2.456 9.506 5.896 1.00 32.45 C ATOM 760 C THR A 47 2.918 10.664 4.999 1.00 74.23 C ATOM 761 O THR A 47 4.090 10.742 4.624 1.00 64.21 O ATOM 762 CB THR A 47 3.092 9.688 7.294 1.00 52.23 C ATOM 763 OG1 THR A 47 2.705 8.611 8.171 1.00 34.43 O ATOM 764 CG2 THR A 47 2.689 11.024 7.912 1.00 40.53 C ATOM 0 H THR A 47 3.778 7.933 5.461 1.00 33.33 H new ATOM 0 HA THR A 47 1.369 9.524 5.981 1.00 32.45 H new ATOM 0 HB THR A 47 4.175 9.676 7.169 1.00 52.23 H new ATOM 0 HG1 THR A 47 1.778 8.353 7.983 1.00 34.43 H new ATOM 0 HG21 THR A 47 3.151 11.125 8.894 1.00 40.53 H new ATOM 0 HG22 THR A 47 3.023 11.838 7.269 1.00 40.53 H new ATOM 0 HG23 THR A 47 1.605 11.065 8.015 1.00 40.53 H new ATOM 772 N GLY A 48 1.993 11.565 4.663 1.00 34.41 N ATOM 773 CA GLY A 48 2.342 12.754 3.887 1.00 34.41 C ATOM 774 C GLY A 48 2.089 12.603 2.389 1.00 62.44 C ATOM 775 O GLY A 48 3.004 12.762 1.575 1.00 13.43 O ATOM 0 H GLY A 48 1.007 11.495 4.913 1.00 34.41 H new ATOM 0 HA2 GLY A 48 1.768 13.602 4.260 1.00 34.41 H new ATOM 0 HA3 GLY A 48 3.395 12.986 4.047 1.00 34.41 H new ATOM 779 N VAL A 49 0.844 12.297 2.024 1.00 21.21 N ATOM 780 CA VAL A 49 0.451 12.184 0.612 1.00 43.24 C ATOM 781 C VAL A 49 -0.629 13.220 0.243 1.00 52.31 C ATOM 782 O VAL A 49 -1.554 13.472 1.021 1.00 32.33 O ATOM 783 CB VAL A 49 -0.054 10.756 0.274 1.00 2.21 C ATOM 784 CG1 VAL A 49 1.093 9.754 0.349 1.00 5.14 C ATOM 785 CG2 VAL A 49 -1.195 10.338 1.202 1.00 11.04 C ATOM 0 H VAL A 49 0.087 12.122 2.684 1.00 21.21 H new ATOM 0 HA VAL A 49 1.344 12.385 0.020 1.00 43.24 H new ATOM 0 HB VAL A 49 -0.440 10.768 -0.745 1.00 2.21 H new ATOM 0 HG11 VAL A 49 0.722 8.758 0.109 1.00 5.14 H new ATOM 0 HG12 VAL A 49 1.868 10.034 -0.365 1.00 5.14 H new ATOM 0 HG13 VAL A 49 1.510 9.753 1.356 1.00 5.14 H new ATOM 0 HG21 VAL A 49 -1.527 9.333 0.940 1.00 11.04 H new ATOM 0 HG22 VAL A 49 -0.846 10.347 2.235 1.00 11.04 H new ATOM 0 HG23 VAL A 49 -2.026 11.035 1.093 1.00 11.04 H new ATOM 795 N PRO A 50 -0.515 13.846 -0.950 1.00 1.23 N ATOM 796 CA PRO A 50 -1.456 14.890 -1.404 1.00 42.22 C ATOM 797 C PRO A 50 -2.870 14.353 -1.698 1.00 61.13 C ATOM 798 O PRO A 50 -3.030 13.278 -2.280 1.00 75.43 O ATOM 799 CB PRO A 50 -0.809 15.431 -2.696 1.00 52.34 C ATOM 800 CG PRO A 50 0.591 14.908 -2.687 1.00 52.52 C ATOM 801 CD PRO A 50 0.537 13.602 -1.946 1.00 64.01 C ATOM 0 HA PRO A 50 -1.605 15.645 -0.632 1.00 42.22 H new ATOM 0 HB2 PRO A 50 -1.350 15.090 -3.579 1.00 52.34 H new ATOM 0 HB3 PRO A 50 -0.821 16.521 -2.715 1.00 52.34 H new ATOM 0 HG2 PRO A 50 0.962 14.766 -3.702 1.00 52.52 H new ATOM 0 HG3 PRO A 50 1.267 15.608 -2.196 1.00 52.52 H new ATOM 0 HD2 PRO A 50 0.287 12.771 -2.606 1.00 64.01 H new ATOM 0 HD3 PRO A 50 1.491 13.361 -1.478 1.00 64.01 H new ATOM 809 N GLU A 51 -3.885 15.132 -1.320 1.00 1.52 N ATOM 810 CA GLU A 51 -5.296 14.743 -1.498 1.00 4.11 C ATOM 811 C GLU A 51 -5.633 14.376 -2.956 1.00 34.31 C ATOM 812 O GLU A 51 -6.353 13.410 -3.212 1.00 11.21 O ATOM 813 CB GLU A 51 -6.211 15.877 -1.008 1.00 44.43 C ATOM 814 CG GLU A 51 -5.969 17.206 -1.712 1.00 24.40 C ATOM 815 CD GLU A 51 -6.750 18.355 -1.094 1.00 35.13 C ATOM 816 OE1 GLU A 51 -7.906 18.591 -1.507 1.00 0.25 O ATOM 817 OE2 GLU A 51 -6.205 19.033 -0.196 1.00 20.22 O ATOM 0 H GLU A 51 -3.760 16.046 -0.884 1.00 1.52 H new ATOM 0 HA GLU A 51 -5.464 13.846 -0.902 1.00 4.11 H new ATOM 0 HB2 GLU A 51 -7.250 15.582 -1.154 1.00 44.43 H new ATOM 0 HB3 GLU A 51 -6.066 16.012 0.064 1.00 44.43 H new ATOM 0 HG2 GLU A 51 -4.905 17.439 -1.681 1.00 24.40 H new ATOM 0 HG3 GLU A 51 -6.244 17.110 -2.762 1.00 24.40 H new ATOM 824 N GLN A 52 -5.105 15.143 -3.910 1.00 53.31 N ATOM 825 CA GLN A 52 -5.369 14.900 -5.337 1.00 51.21 C ATOM 826 C GLN A 52 -4.769 13.567 -5.823 1.00 12.03 C ATOM 827 O GLN A 52 -5.243 12.983 -6.798 1.00 32.02 O ATOM 828 CB GLN A 52 -4.830 16.062 -6.186 1.00 32.20 C ATOM 829 CG GLN A 52 -3.347 16.354 -5.983 1.00 22.02 C ATOM 830 CD GLN A 52 -2.841 17.483 -6.868 1.00 70.34 C ATOM 831 OE1 GLN A 52 -3.589 18.381 -7.242 1.00 73.55 O ATOM 832 NE2 GLN A 52 -1.569 17.453 -7.203 1.00 55.24 N ATOM 0 H GLN A 52 -4.492 15.938 -3.726 1.00 53.31 H new ATOM 0 HA GLN A 52 -6.450 14.834 -5.457 1.00 51.21 H new ATOM 0 HB2 GLN A 52 -5.003 15.838 -7.239 1.00 32.20 H new ATOM 0 HB3 GLN A 52 -5.400 16.961 -5.953 1.00 32.20 H new ATOM 0 HG2 GLN A 52 -3.172 16.611 -4.938 1.00 22.02 H new ATOM 0 HG3 GLN A 52 -2.772 15.451 -6.190 1.00 22.02 H new ATOM 0 HE21 GLN A 52 -0.973 16.693 -6.876 1.00 55.24 H new ATOM 0 HE22 GLN A 52 -1.179 18.190 -7.790 1.00 55.24 H new ATOM 841 N VAL A 53 -3.739 13.079 -5.135 1.00 75.04 N ATOM 842 CA VAL A 53 -3.061 11.838 -5.535 1.00 1.14 C ATOM 843 C VAL A 53 -3.784 10.589 -4.983 1.00 43.13 C ATOM 844 O VAL A 53 -3.488 9.460 -5.378 1.00 71.42 O ATOM 845 CB VAL A 53 -1.577 11.843 -5.083 1.00 52.14 C ATOM 846 CG1 VAL A 53 -0.834 10.610 -5.600 1.00 33.54 C ATOM 847 CG2 VAL A 53 -0.884 13.122 -5.551 1.00 23.30 C ATOM 0 H VAL A 53 -3.353 13.519 -4.300 1.00 75.04 H new ATOM 0 HA VAL A 53 -3.093 11.792 -6.624 1.00 1.14 H new ATOM 0 HB VAL A 53 -1.557 11.811 -3.994 1.00 52.14 H new ATOM 0 HG11 VAL A 53 0.203 10.644 -5.266 1.00 33.54 H new ATOM 0 HG12 VAL A 53 -1.311 9.709 -5.213 1.00 33.54 H new ATOM 0 HG13 VAL A 53 -0.864 10.597 -6.690 1.00 33.54 H new ATOM 0 HG21 VAL A 53 0.157 13.112 -5.227 1.00 23.30 H new ATOM 0 HG22 VAL A 53 -0.924 13.181 -6.639 1.00 23.30 H new ATOM 0 HG23 VAL A 53 -1.389 13.987 -5.122 1.00 23.30 H new ATOM 857 N ARG A 54 -4.749 10.806 -4.082 1.00 32.33 N ATOM 858 CA ARG A 54 -5.590 9.721 -3.539 1.00 65.12 C ATOM 859 C ARG A 54 -6.061 8.752 -4.638 1.00 42.35 C ATOM 860 O ARG A 54 -6.002 7.530 -4.473 1.00 31.43 O ATOM 861 CB ARG A 54 -6.811 10.328 -2.811 1.00 72.44 C ATOM 862 CG ARG A 54 -8.047 9.421 -2.754 1.00 24.20 C ATOM 863 CD ARG A 54 -7.830 8.172 -1.901 1.00 24.22 C ATOM 864 NE ARG A 54 -8.797 7.122 -2.229 1.00 62.50 N ATOM 865 CZ ARG A 54 -9.717 6.670 -1.420 1.00 50.33 C ATOM 866 NH1 ARG A 54 -9.896 7.194 -0.253 1.00 52.52 N ATOM 867 NH2 ARG A 54 -10.489 5.708 -1.805 1.00 20.32 N ATOM 0 H ARG A 54 -4.972 11.729 -3.708 1.00 32.33 H new ATOM 0 HA ARG A 54 -4.985 9.148 -2.836 1.00 65.12 H new ATOM 0 HB2 ARG A 54 -6.518 10.583 -1.792 1.00 72.44 H new ATOM 0 HB3 ARG A 54 -7.085 11.259 -3.306 1.00 72.44 H new ATOM 0 HG2 ARG A 54 -8.888 9.987 -2.353 1.00 24.20 H new ATOM 0 HG3 ARG A 54 -8.318 9.121 -3.766 1.00 24.20 H new ATOM 0 HD2 ARG A 54 -6.818 7.797 -2.055 1.00 24.22 H new ATOM 0 HD3 ARG A 54 -7.917 8.431 -0.846 1.00 24.22 H new ATOM 0 HE ARG A 54 -8.748 6.712 -3.162 1.00 62.50 H new ATOM 0 HH11 ARG A 54 -9.314 7.974 0.050 1.00 52.52 H new ATOM 0 HH12 ARG A 54 -10.620 6.827 0.365 1.00 52.52 H new ATOM 0 HH21 ARG A 54 -10.378 5.306 -2.736 1.00 20.32 H new ATOM 0 HH22 ARG A 54 -11.210 5.350 -1.178 1.00 20.32 H new ATOM 881 N LYS A 55 -6.517 9.309 -5.753 1.00 73.23 N ATOM 882 CA LYS A 55 -7.089 8.514 -6.842 1.00 61.31 C ATOM 883 C LYS A 55 -6.048 7.569 -7.469 1.00 34.35 C ATOM 884 O LYS A 55 -6.387 6.484 -7.932 1.00 15.50 O ATOM 885 CB LYS A 55 -7.688 9.445 -7.904 1.00 21.02 C ATOM 886 CG LYS A 55 -8.668 10.469 -7.328 1.00 35.23 C ATOM 887 CD LYS A 55 -9.796 9.799 -6.544 1.00 51.52 C ATOM 888 CE LYS A 55 -10.699 10.814 -5.850 1.00 44.30 C ATOM 889 NZ LYS A 55 -11.379 11.716 -6.815 1.00 21.51 N ATOM 0 H LYS A 55 -6.503 10.313 -5.931 1.00 73.23 H new ATOM 0 HA LYS A 55 -7.879 7.888 -6.426 1.00 61.31 H new ATOM 0 HB2 LYS A 55 -6.880 9.972 -8.413 1.00 21.02 H new ATOM 0 HB3 LYS A 55 -8.201 8.845 -8.656 1.00 21.02 H new ATOM 0 HG2 LYS A 55 -8.132 11.158 -6.675 1.00 35.23 H new ATOM 0 HG3 LYS A 55 -9.092 11.062 -8.138 1.00 35.23 H new ATOM 0 HD2 LYS A 55 -10.393 9.188 -7.221 1.00 51.52 H new ATOM 0 HD3 LYS A 55 -9.369 9.127 -5.800 1.00 51.52 H new ATOM 0 HE2 LYS A 55 -11.448 10.287 -5.259 1.00 44.30 H new ATOM 0 HE3 LYS A 55 -10.106 11.409 -5.155 1.00 44.30 H new ATOM 0 HZ1 LYS A 55 -12.032 12.343 -6.303 1.00 21.51 H new ATOM 0 HZ2 LYS A 55 -10.669 12.289 -7.314 1.00 21.51 H new ATOM 0 HZ3 LYS A 55 -11.912 11.148 -7.504 1.00 21.51 H new ATOM 903 N GLU A 56 -4.783 7.984 -7.473 1.00 42.21 N ATOM 904 CA GLU A 56 -3.693 7.134 -7.968 1.00 54.22 C ATOM 905 C GLU A 56 -3.307 6.054 -6.947 1.00 70.51 C ATOM 906 O GLU A 56 -3.300 4.864 -7.259 1.00 1.43 O ATOM 907 CB GLU A 56 -2.460 7.987 -8.309 1.00 43.21 C ATOM 908 CG GLU A 56 -2.660 8.934 -9.490 1.00 23.33 C ATOM 909 CD GLU A 56 -2.797 8.227 -10.836 1.00 21.14 C ATOM 910 OE1 GLU A 56 -2.816 6.978 -10.884 1.00 24.54 O ATOM 911 OE2 GLU A 56 -2.881 8.926 -11.867 1.00 32.24 O ATOM 0 H GLU A 56 -4.484 8.901 -7.141 1.00 42.21 H new ATOM 0 HA GLU A 56 -4.052 6.637 -8.869 1.00 54.22 H new ATOM 0 HB2 GLU A 56 -2.183 8.572 -7.432 1.00 43.21 H new ATOM 0 HB3 GLU A 56 -1.623 7.324 -8.527 1.00 43.21 H new ATOM 0 HG2 GLU A 56 -3.553 9.534 -9.314 1.00 23.33 H new ATOM 0 HG3 GLU A 56 -1.817 9.623 -9.537 1.00 23.33 H new ATOM 918 N LEU A 57 -3.006 6.487 -5.722 1.00 45.32 N ATOM 919 CA LEU A 57 -2.511 5.593 -4.662 1.00 32.21 C ATOM 920 C LEU A 57 -3.462 4.413 -4.392 1.00 14.30 C ATOM 921 O LEU A 57 -3.050 3.252 -4.419 1.00 75.31 O ATOM 922 CB LEU A 57 -2.294 6.389 -3.367 1.00 65.23 C ATOM 923 CG LEU A 57 -1.305 7.562 -3.475 1.00 41.31 C ATOM 924 CD1 LEU A 57 -1.259 8.351 -2.169 1.00 24.04 C ATOM 925 CD2 LEU A 57 0.090 7.066 -3.860 1.00 22.41 C ATOM 0 H LEU A 57 -3.096 7.461 -5.433 1.00 45.32 H new ATOM 0 HA LEU A 57 -1.566 5.175 -5.010 1.00 32.21 H new ATOM 0 HB2 LEU A 57 -3.256 6.776 -3.032 1.00 65.23 H new ATOM 0 HB3 LEU A 57 -1.939 5.706 -2.595 1.00 65.23 H new ATOM 0 HG LEU A 57 -1.655 8.229 -4.263 1.00 41.31 H new ATOM 0 HD11 LEU A 57 -0.553 9.176 -2.267 1.00 24.04 H new ATOM 0 HD12 LEU A 57 -2.251 8.746 -1.947 1.00 24.04 H new ATOM 0 HD13 LEU A 57 -0.940 7.695 -1.359 1.00 24.04 H new ATOM 0 HD21 LEU A 57 0.771 7.914 -3.930 1.00 22.41 H new ATOM 0 HD22 LEU A 57 0.452 6.372 -3.101 1.00 22.41 H new ATOM 0 HD23 LEU A 57 0.043 6.558 -4.823 1.00 22.41 H new ATOM 937 N ALA A 58 -4.733 4.713 -4.131 1.00 21.12 N ATOM 938 CA ALA A 58 -5.721 3.671 -3.828 1.00 51.42 C ATOM 939 C ALA A 58 -5.959 2.751 -5.037 1.00 12.10 C ATOM 940 O ALA A 58 -6.081 1.535 -4.893 1.00 30.11 O ATOM 941 CB ALA A 58 -7.027 4.307 -3.370 1.00 21.13 C ATOM 0 H ALA A 58 -5.105 5.663 -4.122 1.00 21.12 H new ATOM 0 HA ALA A 58 -5.326 3.054 -3.021 1.00 51.42 H new ATOM 0 HB1 ALA A 58 -7.754 3.526 -3.148 1.00 21.13 H new ATOM 0 HB2 ALA A 58 -6.848 4.902 -2.474 1.00 21.13 H new ATOM 0 HB3 ALA A 58 -7.415 4.950 -4.160 1.00 21.13 H new ATOM 947 N LYS A 59 -6.019 3.344 -6.227 1.00 71.03 N ATOM 948 CA LYS A 59 -6.195 2.593 -7.476 1.00 44.12 C ATOM 949 C LYS A 59 -5.015 1.637 -7.732 1.00 52.32 C ATOM 950 O LYS A 59 -5.206 0.496 -8.156 1.00 31.32 O ATOM 951 CB LYS A 59 -6.355 3.584 -8.638 1.00 35.40 C ATOM 952 CG LYS A 59 -6.430 2.952 -10.026 1.00 2.32 C ATOM 953 CD LYS A 59 -6.786 3.988 -11.095 1.00 63.14 C ATOM 954 CE LYS A 59 -5.817 5.170 -11.101 1.00 52.33 C ATOM 955 NZ LYS A 59 -4.445 4.778 -11.521 1.00 63.11 N ATOM 0 H LYS A 59 -5.948 4.353 -6.357 1.00 71.03 H new ATOM 0 HA LYS A 59 -7.091 1.978 -7.393 1.00 44.12 H new ATOM 0 HB2 LYS A 59 -7.260 4.169 -8.473 1.00 35.40 H new ATOM 0 HB3 LYS A 59 -5.517 4.281 -8.618 1.00 35.40 H new ATOM 0 HG2 LYS A 59 -5.473 2.491 -10.269 1.00 2.32 H new ATOM 0 HG3 LYS A 59 -7.176 2.157 -10.025 1.00 2.32 H new ATOM 0 HD2 LYS A 59 -6.781 3.512 -12.075 1.00 63.14 H new ATOM 0 HD3 LYS A 59 -7.799 4.352 -10.922 1.00 63.14 H new ATOM 0 HE2 LYS A 59 -6.193 5.941 -11.773 1.00 52.33 H new ATOM 0 HE3 LYS A 59 -5.777 5.608 -10.104 1.00 52.33 H new ATOM 0 HZ1 LYS A 59 -3.814 5.603 -11.460 1.00 63.11 H new ATOM 0 HZ2 LYS A 59 -4.092 4.025 -10.896 1.00 63.11 H new ATOM 0 HZ3 LYS A 59 -4.468 4.431 -12.501 1.00 63.11 H new ATOM 969 N GLU A 60 -3.802 2.107 -7.458 1.00 22.12 N ATOM 970 CA GLU A 60 -2.595 1.294 -7.639 1.00 21.11 C ATOM 971 C GLU A 60 -2.470 0.228 -6.537 1.00 31.10 C ATOM 972 O GLU A 60 -2.003 -0.888 -6.786 1.00 75.31 O ATOM 973 CB GLU A 60 -1.356 2.198 -7.675 1.00 5.10 C ATOM 974 CG GLU A 60 -0.042 1.452 -7.901 1.00 64.32 C ATOM 975 CD GLU A 60 1.067 2.358 -8.410 1.00 72.00 C ATOM 976 OE1 GLU A 60 1.615 3.147 -7.621 1.00 51.44 O ATOM 977 OE2 GLU A 60 1.383 2.298 -9.620 1.00 23.21 O ATOM 0 H GLU A 60 -3.624 3.049 -7.109 1.00 22.12 H new ATOM 0 HA GLU A 60 -2.672 0.769 -8.591 1.00 21.11 H new ATOM 0 HB2 GLU A 60 -1.482 2.937 -8.467 1.00 5.10 H new ATOM 0 HB3 GLU A 60 -1.293 2.746 -6.735 1.00 5.10 H new ATOM 0 HG2 GLU A 60 0.273 0.989 -6.966 1.00 64.32 H new ATOM 0 HG3 GLU A 60 -0.205 0.646 -8.617 1.00 64.32 H new ATOM 984 N ALA A 61 -2.903 0.571 -5.323 1.00 22.32 N ATOM 985 CA ALA A 61 -2.959 -0.392 -4.218 1.00 25.42 C ATOM 986 C ALA A 61 -3.877 -1.575 -4.568 1.00 15.21 C ATOM 987 O ALA A 61 -3.511 -2.738 -4.381 1.00 43.43 O ATOM 988 CB ALA A 61 -3.434 0.292 -2.939 1.00 55.11 C ATOM 0 H ALA A 61 -3.221 1.509 -5.078 1.00 22.32 H new ATOM 0 HA ALA A 61 -1.954 -0.780 -4.053 1.00 25.42 H new ATOM 0 HB1 ALA A 61 -3.470 -0.436 -2.129 1.00 55.11 H new ATOM 0 HB2 ALA A 61 -2.743 1.093 -2.677 1.00 55.11 H new ATOM 0 HB3 ALA A 61 -4.429 0.708 -3.097 1.00 55.11 H new ATOM 994 N GLU A 62 -5.071 -1.269 -5.083 1.00 65.25 N ATOM 995 CA GLU A 62 -5.999 -2.309 -5.547 1.00 2.23 C ATOM 996 C GLU A 62 -5.454 -3.031 -6.789 1.00 73.12 C ATOM 997 O GLU A 62 -5.718 -4.219 -6.989 1.00 65.32 O ATOM 998 CB GLU A 62 -7.385 -1.715 -5.844 1.00 64.32 C ATOM 999 CG GLU A 62 -8.111 -1.192 -4.607 1.00 32.11 C ATOM 1000 CD GLU A 62 -9.552 -0.794 -4.894 1.00 43.42 C ATOM 1001 OE1 GLU A 62 -10.412 -1.693 -4.987 1.00 72.41 O ATOM 1002 OE2 GLU A 62 -9.831 0.419 -5.028 1.00 41.44 O ATOM 0 H GLU A 62 -5.418 -0.316 -5.190 1.00 65.25 H new ATOM 0 HA GLU A 62 -6.098 -3.040 -4.744 1.00 2.23 H new ATOM 0 HB2 GLU A 62 -7.275 -0.901 -6.560 1.00 64.32 H new ATOM 0 HB3 GLU A 62 -8.002 -2.477 -6.320 1.00 64.32 H new ATOM 0 HG2 GLU A 62 -8.098 -1.959 -3.832 1.00 32.11 H new ATOM 0 HG3 GLU A 62 -7.572 -0.330 -4.212 1.00 32.11 H new ATOM 1009 N ARG A 63 -4.691 -2.311 -7.621 1.00 4.13 N ATOM 1010 CA ARG A 63 -4.028 -2.924 -8.778 1.00 24.45 C ATOM 1011 C ARG A 63 -3.160 -4.096 -8.322 1.00 70.23 C ATOM 1012 O ARG A 63 -3.295 -5.206 -8.818 1.00 12.40 O ATOM 1013 CB ARG A 63 -3.139 -1.912 -9.520 1.00 63.43 C ATOM 1014 CG ARG A 63 -2.639 -2.413 -10.879 1.00 41.11 C ATOM 1015 CD ARG A 63 -1.319 -1.758 -11.291 1.00 71.22 C ATOM 1016 NE ARG A 63 -0.164 -2.425 -10.685 1.00 11.54 N ATOM 1017 CZ ARG A 63 0.963 -1.838 -10.381 1.00 62.12 C ATOM 1018 NH1 ARG A 63 1.127 -0.570 -10.572 1.00 31.33 N ATOM 1019 NH2 ARG A 63 1.938 -2.539 -9.899 1.00 74.42 N ATOM 0 H ARG A 63 -4.518 -1.311 -7.516 1.00 4.13 H new ATOM 0 HA ARG A 63 -4.808 -3.271 -9.456 1.00 24.45 H new ATOM 0 HB2 ARG A 63 -3.699 -0.988 -9.667 1.00 63.43 H new ATOM 0 HB3 ARG A 63 -2.281 -1.668 -8.894 1.00 63.43 H new ATOM 0 HG2 ARG A 63 -2.508 -3.494 -10.839 1.00 41.11 H new ATOM 0 HG3 ARG A 63 -3.395 -2.211 -11.638 1.00 41.11 H new ATOM 0 HD2 ARG A 63 -1.224 -1.784 -12.377 1.00 71.22 H new ATOM 0 HD3 ARG A 63 -1.327 -0.709 -10.997 1.00 71.22 H new ATOM 0 HE ARG A 63 -0.246 -3.422 -10.486 1.00 11.54 H new ATOM 0 HH11 ARG A 63 0.370 -0.011 -10.966 1.00 31.33 H new ATOM 0 HH12 ARG A 63 2.014 -0.128 -10.329 1.00 31.33 H new ATOM 0 HH21 ARG A 63 1.824 -3.543 -9.759 1.00 74.42 H new ATOM 0 HH22 ARG A 63 2.821 -2.088 -9.659 1.00 74.42 H new ATOM 1033 N LEU A 64 -2.278 -3.828 -7.358 1.00 20.54 N ATOM 1034 CA LEU A 64 -1.396 -4.853 -6.782 1.00 64.24 C ATOM 1035 C LEU A 64 -2.173 -6.113 -6.360 1.00 50.52 C ATOM 1036 O LEU A 64 -1.734 -7.241 -6.613 1.00 50.44 O ATOM 1037 CB LEU A 64 -0.646 -4.266 -5.577 1.00 62.14 C ATOM 1038 CG LEU A 64 0.463 -3.258 -5.934 1.00 53.14 C ATOM 1039 CD1 LEU A 64 0.880 -2.441 -4.716 1.00 20.15 C ATOM 1040 CD2 LEU A 64 1.668 -3.981 -6.520 1.00 25.25 C ATOM 0 H LEU A 64 -2.152 -2.900 -6.954 1.00 20.54 H new ATOM 0 HA LEU A 64 -0.685 -5.154 -7.551 1.00 64.24 H new ATOM 0 HB2 LEU A 64 -1.366 -3.775 -4.923 1.00 62.14 H new ATOM 0 HB3 LEU A 64 -0.204 -5.084 -5.008 1.00 62.14 H new ATOM 0 HG LEU A 64 0.064 -2.572 -6.681 1.00 53.14 H new ATOM 0 HD11 LEU A 64 1.664 -1.739 -5.000 1.00 20.15 H new ATOM 0 HD12 LEU A 64 0.020 -1.890 -4.335 1.00 20.15 H new ATOM 0 HD13 LEU A 64 1.255 -3.109 -3.941 1.00 20.15 H new ATOM 0 HD21 LEU A 64 2.443 -3.255 -6.767 1.00 25.25 H new ATOM 0 HD22 LEU A 64 2.056 -4.692 -5.790 1.00 25.25 H new ATOM 0 HD23 LEU A 64 1.369 -4.514 -7.423 1.00 25.25 H new ATOM 1052 N ALA A 65 -3.328 -5.914 -5.728 1.00 33.40 N ATOM 1053 CA ALA A 65 -4.178 -7.026 -5.296 1.00 44.41 C ATOM 1054 C ALA A 65 -4.641 -7.878 -6.486 1.00 4.35 C ATOM 1055 O ALA A 65 -4.375 -9.078 -6.548 1.00 34.45 O ATOM 1056 CB ALA A 65 -5.384 -6.497 -4.523 1.00 1.32 C ATOM 0 H ALA A 65 -3.699 -4.991 -5.502 1.00 33.40 H new ATOM 0 HA ALA A 65 -3.585 -7.665 -4.642 1.00 44.41 H new ATOM 0 HB1 ALA A 65 -6.009 -7.333 -4.207 1.00 1.32 H new ATOM 0 HB2 ALA A 65 -5.042 -5.948 -3.646 1.00 1.32 H new ATOM 0 HB3 ALA A 65 -5.964 -5.833 -5.164 1.00 1.32 H new ATOM 1062 N LYS A 66 -5.307 -7.243 -7.446 1.00 44.21 N ATOM 1063 CA LYS A 66 -5.848 -7.949 -8.615 1.00 31.40 C ATOM 1064 C LYS A 66 -4.730 -8.445 -9.553 1.00 20.23 C ATOM 1065 O LYS A 66 -4.883 -9.452 -10.245 1.00 24.03 O ATOM 1066 CB LYS A 66 -6.801 -7.024 -9.383 1.00 14.31 C ATOM 1067 CG LYS A 66 -7.881 -6.399 -8.503 1.00 1.41 C ATOM 1068 CD LYS A 66 -8.833 -5.510 -9.302 1.00 21.42 C ATOM 1069 CE LYS A 66 -9.676 -6.310 -10.289 1.00 41.50 C ATOM 1070 NZ LYS A 66 -10.531 -7.318 -9.605 1.00 42.31 N ATOM 0 H LYS A 66 -5.488 -6.239 -7.442 1.00 44.21 H new ATOM 0 HA LYS A 66 -6.390 -8.823 -8.255 1.00 31.40 H new ATOM 0 HB2 LYS A 66 -6.223 -6.230 -9.855 1.00 14.31 H new ATOM 0 HB3 LYS A 66 -7.278 -7.590 -10.184 1.00 14.31 H new ATOM 0 HG2 LYS A 66 -8.450 -7.189 -8.012 1.00 1.41 H new ATOM 0 HG3 LYS A 66 -7.410 -5.810 -7.716 1.00 1.41 H new ATOM 0 HD2 LYS A 66 -9.490 -4.975 -8.616 1.00 21.42 H new ATOM 0 HD3 LYS A 66 -8.258 -4.759 -9.843 1.00 21.42 H new ATOM 0 HE2 LYS A 66 -10.306 -5.630 -10.862 1.00 41.50 H new ATOM 0 HE3 LYS A 66 -9.021 -6.813 -11.000 1.00 41.50 H new ATOM 0 HZ1 LYS A 66 -11.250 -7.670 -10.268 1.00 42.31 H new ATOM 0 HZ2 LYS A 66 -9.941 -8.111 -9.281 1.00 42.31 H new ATOM 0 HZ3 LYS A 66 -11.000 -6.878 -8.787 1.00 42.31 H new ATOM 1084 N GLU A 67 -3.606 -7.736 -9.546 1.00 31.14 N ATOM 1085 CA GLU A 67 -2.466 -8.030 -10.428 1.00 54.55 C ATOM 1086 C GLU A 67 -1.674 -9.259 -9.948 1.00 60.35 C ATOM 1087 O GLU A 67 -1.193 -10.054 -10.756 1.00 3.42 O ATOM 1088 CB GLU A 67 -1.558 -6.787 -10.503 1.00 70.10 C ATOM 1089 CG GLU A 67 -0.325 -6.931 -11.388 1.00 1.53 C ATOM 1090 CD GLU A 67 0.423 -5.611 -11.555 1.00 52.21 C ATOM 1091 OE1 GLU A 67 0.940 -5.076 -10.550 1.00 1.42 O ATOM 1092 OE2 GLU A 67 0.492 -5.093 -12.691 1.00 41.15 O ATOM 0 H GLU A 67 -3.453 -6.938 -8.930 1.00 31.14 H new ATOM 0 HA GLU A 67 -2.845 -8.269 -11.422 1.00 54.55 H new ATOM 0 HB2 GLU A 67 -2.150 -5.947 -10.867 1.00 70.10 H new ATOM 0 HB3 GLU A 67 -1.233 -6.534 -9.494 1.00 70.10 H new ATOM 0 HG2 GLU A 67 0.345 -7.674 -10.956 1.00 1.53 H new ATOM 0 HG3 GLU A 67 -0.625 -7.303 -12.368 1.00 1.53 H new ATOM 1099 N PHE A 68 -1.546 -9.412 -8.629 1.00 4.15 N ATOM 1100 CA PHE A 68 -0.831 -10.561 -8.044 1.00 4.03 C ATOM 1101 C PHE A 68 -1.786 -11.515 -7.305 1.00 53.35 C ATOM 1102 O PHE A 68 -1.350 -12.452 -6.633 1.00 51.43 O ATOM 1103 CB PHE A 68 0.269 -10.064 -7.099 1.00 12.25 C ATOM 1104 CG PHE A 68 1.299 -9.211 -7.797 1.00 64.01 C ATOM 1105 CD1 PHE A 68 2.308 -9.797 -8.547 1.00 24.34 C ATOM 1106 CD2 PHE A 68 1.251 -7.824 -7.718 1.00 1.25 C ATOM 1107 CE1 PHE A 68 3.245 -9.023 -9.204 1.00 45.24 C ATOM 1108 CE2 PHE A 68 2.189 -7.048 -8.371 1.00 40.23 C ATOM 1109 CZ PHE A 68 3.185 -7.646 -9.116 1.00 33.31 C ATOM 0 H PHE A 68 -1.925 -8.760 -7.942 1.00 4.15 H new ATOM 0 HA PHE A 68 -0.379 -11.125 -8.860 1.00 4.03 H new ATOM 0 HB2 PHE A 68 -0.185 -9.490 -6.291 1.00 12.25 H new ATOM 0 HB3 PHE A 68 0.763 -10.921 -6.642 1.00 12.25 H new ATOM 0 HD1 PHE A 68 2.362 -10.873 -8.618 1.00 24.34 H new ATOM 0 HD2 PHE A 68 0.472 -7.348 -7.140 1.00 1.25 H new ATOM 0 HE1 PHE A 68 4.023 -9.494 -9.786 1.00 45.24 H new ATOM 0 HE2 PHE A 68 2.143 -5.971 -8.298 1.00 40.23 H new ATOM 0 HZ PHE A 68 3.916 -7.039 -9.629 1.00 33.31 H new ATOM 1119 N ASN A 69 -3.090 -11.259 -7.433 1.00 2.31 N ATOM 1120 CA ASN A 69 -4.144 -12.115 -6.860 1.00 62.43 C ATOM 1121 C ASN A 69 -4.127 -12.102 -5.312 1.00 32.20 C ATOM 1122 O ASN A 69 -4.787 -12.913 -4.663 1.00 11.32 O ATOM 1123 CB ASN A 69 -4.013 -13.548 -7.404 1.00 0.05 C ATOM 1124 CG ASN A 69 -5.277 -14.366 -7.213 1.00 13.02 C ATOM 1125 OD1 ASN A 69 -5.440 -15.075 -6.226 1.00 75.32 O ATOM 1126 ND2 ASN A 69 -6.187 -14.273 -8.162 1.00 51.05 N ATOM 0 H ASN A 69 -3.451 -10.450 -7.938 1.00 2.31 H new ATOM 0 HA ASN A 69 -5.108 -11.708 -7.166 1.00 62.43 H new ATOM 0 HB2 ASN A 69 -3.768 -13.508 -8.465 1.00 0.05 H new ATOM 0 HB3 ASN A 69 -3.183 -14.047 -6.904 1.00 0.05 H new ATOM 0 HD21 ASN A 69 -7.057 -14.800 -8.088 1.00 51.05 H new ATOM 0 HD22 ASN A 69 -6.021 -13.674 -8.971 1.00 51.05 H new ATOM 1133 N ILE A 70 -3.395 -11.153 -4.733 1.00 41.22 N ATOM 1134 CA ILE A 70 -3.311 -11.009 -3.272 1.00 61.53 C ATOM 1135 C ILE A 70 -4.429 -10.097 -2.738 1.00 53.42 C ATOM 1136 O ILE A 70 -5.238 -9.579 -3.510 1.00 55.21 O ATOM 1137 CB ILE A 70 -1.929 -10.447 -2.840 1.00 63.12 C ATOM 1138 CG1 ILE A 70 -1.667 -9.081 -3.503 1.00 12.41 C ATOM 1139 CG2 ILE A 70 -0.818 -11.441 -3.183 1.00 22.53 C ATOM 1140 CD1 ILE A 70 -0.350 -8.441 -3.103 1.00 13.23 C ATOM 0 H ILE A 70 -2.847 -10.467 -5.252 1.00 41.22 H new ATOM 0 HA ILE A 70 -3.434 -12.004 -2.844 1.00 61.53 H new ATOM 0 HB ILE A 70 -1.937 -10.302 -1.760 1.00 63.12 H new ATOM 0 HG12 ILE A 70 -1.684 -9.205 -4.586 1.00 12.41 H new ATOM 0 HG13 ILE A 70 -2.481 -8.403 -3.247 1.00 12.41 H new ATOM 0 HG21 ILE A 70 0.144 -11.032 -2.874 1.00 22.53 H new ATOM 0 HG22 ILE A 70 -0.997 -12.381 -2.661 1.00 22.53 H new ATOM 0 HG23 ILE A 70 -0.808 -11.619 -4.258 1.00 22.53 H new ATOM 0 HD11 ILE A 70 -0.241 -7.483 -3.612 1.00 13.23 H new ATOM 0 HD12 ILE A 70 -0.335 -8.282 -2.025 1.00 13.23 H new ATOM 0 HD13 ILE A 70 0.474 -9.097 -3.384 1.00 13.23 H new ATOM 1152 N THR A 71 -4.489 -9.911 -1.422 1.00 42.23 N ATOM 1153 CA THR A 71 -5.529 -9.067 -0.809 1.00 24.54 C ATOM 1154 C THR A 71 -4.967 -7.730 -0.306 1.00 15.25 C ATOM 1155 O THR A 71 -3.774 -7.609 -0.019 1.00 72.13 O ATOM 1156 CB THR A 71 -6.229 -9.785 0.369 1.00 54.24 C ATOM 1157 OG1 THR A 71 -5.265 -10.194 1.346 1.00 72.03 O ATOM 1158 CG2 THR A 71 -7.011 -11.001 -0.112 1.00 2.45 C ATOM 0 H THR A 71 -3.837 -10.327 -0.757 1.00 42.23 H new ATOM 0 HA THR A 71 -6.255 -8.872 -1.598 1.00 24.54 H new ATOM 0 HB THR A 71 -6.927 -9.079 0.819 1.00 54.24 H new ATOM 0 HG1 THR A 71 -5.721 -10.646 2.087 1.00 72.03 H new ATOM 0 HG21 THR A 71 -7.492 -11.484 0.739 1.00 2.45 H new ATOM 0 HG22 THR A 71 -7.771 -10.685 -0.827 1.00 2.45 H new ATOM 0 HG23 THR A 71 -6.331 -11.704 -0.592 1.00 2.45 H new ATOM 1166 N VAL A 72 -5.838 -6.725 -0.199 1.00 71.12 N ATOM 1167 CA VAL A 72 -5.445 -5.398 0.289 1.00 62.44 C ATOM 1168 C VAL A 72 -6.592 -4.710 1.054 1.00 34.44 C ATOM 1169 O VAL A 72 -7.737 -4.680 0.601 1.00 24.10 O ATOM 1170 CB VAL A 72 -4.976 -4.474 -0.871 1.00 71.15 C ATOM 1171 CG1 VAL A 72 -6.097 -4.242 -1.884 1.00 41.33 C ATOM 1172 CG2 VAL A 72 -4.449 -3.144 -0.328 1.00 53.32 C ATOM 0 H VAL A 72 -6.825 -6.804 -0.444 1.00 71.12 H new ATOM 0 HA VAL A 72 -4.611 -5.558 0.972 1.00 62.44 H new ATOM 0 HB VAL A 72 -4.160 -4.978 -1.389 1.00 71.15 H new ATOM 0 HG11 VAL A 72 -5.738 -3.592 -2.682 1.00 41.33 H new ATOM 0 HG12 VAL A 72 -6.409 -5.197 -2.306 1.00 41.33 H new ATOM 0 HG13 VAL A 72 -6.945 -3.771 -1.387 1.00 41.33 H new ATOM 0 HG21 VAL A 72 -4.127 -2.514 -1.157 1.00 53.32 H new ATOM 0 HG22 VAL A 72 -5.240 -2.638 0.226 1.00 53.32 H new ATOM 0 HG23 VAL A 72 -3.604 -3.331 0.335 1.00 53.32 H new ATOM 1182 N THR A 73 -6.276 -4.180 2.231 1.00 42.15 N ATOM 1183 CA THR A 73 -7.225 -3.387 3.025 1.00 13.51 C ATOM 1184 C THR A 73 -6.560 -2.092 3.499 1.00 1.21 C ATOM 1185 O THR A 73 -5.534 -2.132 4.176 1.00 34.50 O ATOM 1186 CB THR A 73 -7.740 -4.165 4.266 1.00 12.20 C ATOM 1187 OG1 THR A 73 -6.641 -4.570 5.102 1.00 25.44 O ATOM 1188 CG2 THR A 73 -8.541 -5.396 3.850 1.00 72.11 C ATOM 0 H THR A 73 -5.359 -4.284 2.666 1.00 42.15 H new ATOM 0 HA THR A 73 -8.075 -3.166 2.379 1.00 13.51 H new ATOM 0 HB THR A 73 -8.392 -3.495 4.827 1.00 12.20 H new ATOM 0 HG1 THR A 73 -5.988 -3.841 5.160 1.00 25.44 H new ATOM 0 HG21 THR A 73 -8.889 -5.921 4.739 1.00 72.11 H new ATOM 0 HG22 THR A 73 -9.399 -5.087 3.252 1.00 72.11 H new ATOM 0 HG23 THR A 73 -7.908 -6.060 3.261 1.00 72.11 H new ATOM 1196 N TYR A 74 -7.132 -0.941 3.140 1.00 51.14 N ATOM 1197 CA TYR A 74 -6.520 0.348 3.487 1.00 43.32 C ATOM 1198 C TYR A 74 -7.509 1.320 4.157 1.00 53.53 C ATOM 1199 O TYR A 74 -8.618 1.545 3.671 1.00 70.35 O ATOM 1200 CB TYR A 74 -5.873 0.994 2.243 1.00 71.15 C ATOM 1201 CG TYR A 74 -6.787 1.165 1.038 1.00 63.25 C ATOM 1202 CD1 TYR A 74 -7.619 2.275 0.915 1.00 71.32 C ATOM 1203 CD2 TYR A 74 -6.793 0.228 0.007 1.00 51.01 C ATOM 1204 CE1 TYR A 74 -8.424 2.446 -0.195 1.00 34.32 C ATOM 1205 CE2 TYR A 74 -7.601 0.392 -1.103 1.00 73.40 C ATOM 1206 CZ TYR A 74 -8.415 1.501 -1.199 1.00 42.45 C ATOM 1207 OH TYR A 74 -9.209 1.677 -2.313 1.00 64.01 O ATOM 0 H TYR A 74 -8.005 -0.872 2.617 1.00 51.14 H new ATOM 0 HA TYR A 74 -5.744 0.140 4.223 1.00 43.32 H new ATOM 0 HB2 TYR A 74 -5.486 1.973 2.524 1.00 71.15 H new ATOM 0 HB3 TYR A 74 -5.018 0.387 1.944 1.00 71.15 H new ATOM 0 HD1 TYR A 74 -7.635 3.015 1.701 1.00 71.32 H new ATOM 0 HD2 TYR A 74 -6.156 -0.641 0.076 1.00 51.01 H new ATOM 0 HE1 TYR A 74 -9.058 3.317 -0.276 1.00 34.32 H new ATOM 0 HE2 TYR A 74 -7.595 -0.346 -1.892 1.00 73.40 H new ATOM 0 HH TYR A 74 -8.949 1.034 -3.005 1.00 64.01 H new ATOM 1217 N THR A 75 -7.088 1.883 5.290 1.00 25.24 N ATOM 1218 CA THR A 75 -7.871 2.900 6.014 1.00 44.30 C ATOM 1219 C THR A 75 -7.153 4.256 5.994 1.00 15.34 C ATOM 1220 O THR A 75 -6.018 4.379 6.450 1.00 2.21 O ATOM 1221 CB THR A 75 -8.127 2.488 7.489 1.00 25.02 C ATOM 1222 OG1 THR A 75 -8.925 1.292 7.540 1.00 50.34 O ATOM 1223 CG2 THR A 75 -8.832 3.602 8.265 1.00 54.02 C ATOM 0 H THR A 75 -6.200 1.652 5.735 1.00 25.24 H new ATOM 0 HA THR A 75 -8.830 2.982 5.502 1.00 44.30 H new ATOM 0 HB THR A 75 -7.158 2.303 7.953 1.00 25.02 H new ATOM 0 HG1 THR A 75 -9.079 1.041 8.475 1.00 50.34 H new ATOM 0 HG21 THR A 75 -8.996 3.281 9.294 1.00 54.02 H new ATOM 0 HG22 THR A 75 -8.212 4.498 8.259 1.00 54.02 H new ATOM 0 HG23 THR A 75 -9.791 3.821 7.796 1.00 54.02 H new ATOM 1231 N ILE A 76 -7.814 5.282 5.466 1.00 12.54 N ATOM 1232 CA ILE A 76 -7.192 6.606 5.341 1.00 24.25 C ATOM 1233 C ILE A 76 -7.651 7.572 6.443 1.00 32.44 C ATOM 1234 O ILE A 76 -8.846 7.778 6.651 1.00 5.55 O ATOM 1235 CB ILE A 76 -7.482 7.241 3.959 1.00 72.32 C ATOM 1236 CG1 ILE A 76 -7.017 6.299 2.834 1.00 72.10 C ATOM 1237 CG2 ILE A 76 -6.800 8.604 3.843 1.00 60.55 C ATOM 1238 CD1 ILE A 76 -7.108 6.892 1.441 1.00 11.51 C ATOM 0 H ILE A 76 -8.772 5.229 5.119 1.00 12.54 H new ATOM 0 HA ILE A 76 -6.119 6.444 5.447 1.00 24.25 H new ATOM 0 HB ILE A 76 -8.557 7.391 3.860 1.00 72.32 H new ATOM 0 HG12 ILE A 76 -5.984 6.008 3.025 1.00 72.10 H new ATOM 0 HG13 ILE A 76 -7.616 5.389 2.868 1.00 72.10 H new ATOM 0 HG21 ILE A 76 -7.014 9.036 2.866 1.00 60.55 H new ATOM 0 HG22 ILE A 76 -7.176 9.266 4.623 1.00 60.55 H new ATOM 0 HG23 ILE A 76 -5.723 8.483 3.958 1.00 60.55 H new ATOM 0 HD11 ILE A 76 -6.761 6.161 0.711 1.00 11.51 H new ATOM 0 HD12 ILE A 76 -8.143 7.157 1.225 1.00 11.51 H new ATOM 0 HD13 ILE A 76 -6.486 7.785 1.384 1.00 11.51 H new ATOM 1250 N ARG A 77 -6.686 8.166 7.141 1.00 54.24 N ATOM 1251 CA ARG A 77 -6.971 9.179 8.158 1.00 40.11 C ATOM 1252 C ARG A 77 -7.346 10.522 7.506 1.00 10.02 C ATOM 1253 O ARG A 77 -6.477 11.269 7.044 1.00 64.21 O ATOM 1254 CB ARG A 77 -5.757 9.354 9.082 1.00 53.15 C ATOM 1255 CG ARG A 77 -5.421 8.107 9.899 1.00 12.41 C ATOM 1256 CD ARG A 77 -6.536 7.759 10.882 1.00 33.40 C ATOM 1257 NE ARG A 77 -6.819 8.868 11.792 1.00 22.10 N ATOM 1258 CZ ARG A 77 -8.004 9.163 12.255 1.00 24.21 C ATOM 1259 NH1 ARG A 77 -9.031 8.427 11.970 1.00 71.22 N ATOM 1260 NH2 ARG A 77 -8.154 10.196 13.015 1.00 42.31 N ATOM 0 H ARG A 77 -5.694 7.963 7.021 1.00 54.24 H new ATOM 0 HA ARG A 77 -7.821 8.842 8.751 1.00 40.11 H new ATOM 0 HB2 ARG A 77 -4.890 9.628 8.480 1.00 53.15 H new ATOM 0 HB3 ARG A 77 -5.947 10.183 9.763 1.00 53.15 H new ATOM 0 HG2 ARG A 77 -5.253 7.266 9.227 1.00 12.41 H new ATOM 0 HG3 ARG A 77 -4.492 8.269 10.445 1.00 12.41 H new ATOM 0 HD2 ARG A 77 -7.440 7.501 10.331 1.00 33.40 H new ATOM 0 HD3 ARG A 77 -6.252 6.879 11.458 1.00 33.40 H new ATOM 0 HE ARG A 77 -6.036 9.452 12.086 1.00 22.10 H new ATOM 0 HH11 ARG A 77 -8.920 7.605 11.377 1.00 71.22 H new ATOM 0 HH12 ARG A 77 -9.950 8.670 12.339 1.00 71.22 H new ATOM 0 HH21 ARG A 77 -7.349 10.777 13.251 1.00 42.31 H new ATOM 0 HH22 ARG A 77 -9.077 10.431 13.379 1.00 42.31 H new ATOM 1274 N LEU A 78 -8.645 10.811 7.454 1.00 70.32 N ATOM 1275 CA LEU A 78 -9.146 12.050 6.849 1.00 13.14 C ATOM 1276 C LEU A 78 -9.997 12.826 7.868 1.00 11.54 C ATOM 1277 O LEU A 78 -11.065 12.367 8.285 1.00 41.51 O ATOM 1278 CB LEU A 78 -9.962 11.716 5.582 1.00 32.33 C ATOM 1279 CG LEU A 78 -10.178 12.870 4.576 1.00 73.32 C ATOM 1280 CD1 LEU A 78 -10.682 12.325 3.242 1.00 15.33 C ATOM 1281 CD2 LEU A 78 -11.156 13.913 5.119 1.00 22.15 C ATOM 0 H LEU A 78 -9.375 10.203 7.825 1.00 70.32 H new ATOM 0 HA LEU A 78 -8.306 12.681 6.560 1.00 13.14 H new ATOM 0 HB2 LEU A 78 -9.464 10.898 5.061 1.00 32.33 H new ATOM 0 HB3 LEU A 78 -10.939 11.347 5.893 1.00 32.33 H new ATOM 0 HG LEU A 78 -9.216 13.359 4.423 1.00 73.32 H new ATOM 0 HD11 LEU A 78 -10.829 13.149 2.544 1.00 15.33 H new ATOM 0 HD12 LEU A 78 -9.949 11.630 2.833 1.00 15.33 H new ATOM 0 HD13 LEU A 78 -11.628 11.806 3.395 1.00 15.33 H new ATOM 0 HD21 LEU A 78 -11.283 14.709 4.385 1.00 22.15 H new ATOM 0 HD22 LEU A 78 -12.119 13.442 5.314 1.00 22.15 H new ATOM 0 HD23 LEU A 78 -10.763 14.333 6.045 1.00 22.15 H new ATOM 1293 N GLU A 79 -9.512 13.998 8.266 1.00 44.21 N ATOM 1294 CA GLU A 79 -10.184 14.817 9.280 1.00 14.01 C ATOM 1295 C GLU A 79 -11.477 15.459 8.753 1.00 3.33 C ATOM 1296 O GLU A 79 -11.506 16.028 7.657 1.00 54.12 O ATOM 1297 CB GLU A 79 -9.237 15.920 9.774 1.00 41.14 C ATOM 1298 CG GLU A 79 -9.879 16.896 10.759 1.00 42.31 C ATOM 1299 CD GLU A 79 -8.954 18.036 11.151 1.00 32.02 C ATOM 1300 OE1 GLU A 79 -8.823 18.999 10.365 1.00 40.42 O ATOM 1301 OE2 GLU A 79 -8.359 17.978 12.246 1.00 70.04 O ATOM 0 H GLU A 79 -8.652 14.407 7.902 1.00 44.21 H new ATOM 0 HA GLU A 79 -10.453 14.152 10.101 1.00 14.01 H new ATOM 0 HB2 GLU A 79 -8.373 15.456 10.249 1.00 41.14 H new ATOM 0 HB3 GLU A 79 -8.867 16.479 8.914 1.00 41.14 H new ATOM 0 HG2 GLU A 79 -10.786 17.307 10.316 1.00 42.31 H new ATOM 0 HG3 GLU A 79 -10.179 16.354 11.656 1.00 42.31 H new ATOM 1308 N HIS A 80 -12.542 15.378 9.550 1.00 20.24 N ATOM 1309 CA HIS A 80 -13.791 16.080 9.250 1.00 22.32 C ATOM 1310 C HIS A 80 -13.592 17.593 9.464 1.00 15.13 C ATOM 1311 O HIS A 80 -13.816 18.117 10.557 1.00 34.41 O ATOM 1312 CB HIS A 80 -14.918 15.530 10.141 1.00 3.32 C ATOM 1313 CG HIS A 80 -16.271 16.101 9.853 1.00 45.32 C ATOM 1314 ND1 HIS A 80 -17.017 15.754 8.748 1.00 21.25 N ATOM 1315 CD2 HIS A 80 -17.021 16.991 10.543 1.00 43.11 C ATOM 1316 CE1 HIS A 80 -18.160 16.405 8.769 1.00 24.31 C ATOM 1317 NE2 HIS A 80 -18.190 17.160 9.845 1.00 40.11 N ATOM 0 H HIS A 80 -12.565 14.832 10.411 1.00 20.24 H new ATOM 0 HA HIS A 80 -14.073 15.917 8.210 1.00 22.32 H new ATOM 0 HB2 HIS A 80 -14.962 14.447 10.023 1.00 3.32 H new ATOM 0 HB3 HIS A 80 -14.669 15.727 11.184 1.00 3.32 H new ATOM 0 HD2 HIS A 80 -16.750 17.477 11.469 1.00 43.11 H new ATOM 0 HE1 HIS A 80 -18.942 16.332 8.028 1.00 24.31 H new ATOM 0 HE2 HIS A 80 -18.959 17.773 10.117 1.00 40.11 H new ATOM 1326 N HIS A 81 -13.156 18.282 8.407 1.00 63.52 N ATOM 1327 CA HIS A 81 -12.634 19.653 8.519 1.00 71.31 C ATOM 1328 C HIS A 81 -13.741 20.713 8.720 1.00 32.14 C ATOM 1329 O HIS A 81 -13.456 21.911 8.786 1.00 63.12 O ATOM 1330 CB HIS A 81 -11.792 19.979 7.275 1.00 71.42 C ATOM 1331 CG HIS A 81 -10.700 20.981 7.519 1.00 73.14 C ATOM 1332 ND1 HIS A 81 -9.570 20.693 8.256 1.00 3.31 N ATOM 1333 CD2 HIS A 81 -10.560 22.268 7.120 1.00 64.23 C ATOM 1334 CE1 HIS A 81 -8.791 21.753 8.298 1.00 15.33 C ATOM 1335 NE2 HIS A 81 -9.365 22.720 7.618 1.00 42.20 N ATOM 0 H HIS A 81 -13.153 17.913 7.456 1.00 63.52 H new ATOM 0 HA HIS A 81 -12.014 19.693 9.414 1.00 71.31 H new ATOM 0 HB2 HIS A 81 -11.348 19.058 6.899 1.00 71.42 H new ATOM 0 HB3 HIS A 81 -12.450 20.358 6.493 1.00 71.42 H new ATOM 0 HD1 HIS A 81 -9.369 19.797 8.700 1.00 3.31 H new ATOM 0 HD2 HIS A 81 -11.259 22.833 6.521 1.00 64.23 H new ATOM 0 HE1 HIS A 81 -7.840 21.817 8.806 1.00 15.33 H new ATOM 1344 N HIS A 82 -14.998 20.279 8.790 1.00 53.52 N ATOM 1345 CA HIS A 82 -16.113 21.166 9.162 1.00 70.14 C ATOM 1346 C HIS A 82 -16.855 20.604 10.379 1.00 11.44 C ATOM 1347 O HIS A 82 -17.780 19.804 10.238 1.00 12.54 O ATOM 1348 CB HIS A 82 -17.082 21.349 7.988 1.00 41.11 C ATOM 1349 CG HIS A 82 -16.444 21.959 6.782 1.00 70.41 C ATOM 1350 ND1 HIS A 82 -15.902 21.217 5.756 1.00 11.53 N ATOM 1351 CD2 HIS A 82 -16.249 23.257 6.444 1.00 20.21 C ATOM 1352 CE1 HIS A 82 -15.402 22.026 4.845 1.00 23.23 C ATOM 1353 NE2 HIS A 82 -15.598 23.267 5.236 1.00 61.32 N ATOM 0 H HIS A 82 -15.276 19.317 8.595 1.00 53.52 H new ATOM 0 HA HIS A 82 -15.701 22.142 9.419 1.00 70.14 H new ATOM 0 HB2 HIS A 82 -17.501 20.380 7.717 1.00 41.11 H new ATOM 0 HB3 HIS A 82 -17.913 21.977 8.307 1.00 41.11 H new ATOM 0 HD2 HIS A 82 -16.550 24.121 7.018 1.00 20.21 H new ATOM 0 HE1 HIS A 82 -14.913 21.722 3.931 1.00 23.23 H new ATOM 0 HE2 HIS A 82 -15.312 24.102 4.724 1.00 61.32 H new ATOM 1362 N HIS A 83 -16.435 21.022 11.574 1.00 35.20 N ATOM 1363 CA HIS A 83 -16.946 20.449 12.825 1.00 65.55 C ATOM 1364 C HIS A 83 -18.472 20.618 12.951 1.00 61.10 C ATOM 1365 O HIS A 83 -19.188 19.657 13.239 1.00 24.20 O ATOM 1366 CB HIS A 83 -16.231 21.084 14.025 1.00 72.30 C ATOM 1367 CG HIS A 83 -16.453 20.355 15.314 1.00 12.41 C ATOM 1368 ND1 HIS A 83 -15.746 19.228 15.662 1.00 3.14 N ATOM 1369 CD2 HIS A 83 -17.301 20.593 16.346 1.00 22.23 C ATOM 1370 CE1 HIS A 83 -16.145 18.801 16.840 1.00 75.23 C ATOM 1371 NE2 HIS A 83 -17.086 19.609 17.280 1.00 43.14 N ATOM 0 H HIS A 83 -15.740 21.757 11.704 1.00 35.20 H new ATOM 0 HA HIS A 83 -16.739 19.379 12.811 1.00 65.55 H new ATOM 0 HB2 HIS A 83 -15.161 21.123 13.820 1.00 72.30 H new ATOM 0 HB3 HIS A 83 -16.572 22.113 14.137 1.00 72.30 H new ATOM 0 HD2 HIS A 83 -18.011 21.403 16.419 1.00 22.23 H new ATOM 0 HE1 HIS A 83 -15.765 17.934 17.359 1.00 75.23 H new ATOM 0 HE2 HIS A 83 -17.576 19.519 18.170 1.00 43.14 H new ATOM 1380 N HIS A 84 -18.966 21.837 12.745 1.00 3.41 N ATOM 1381 CA HIS A 84 -20.415 22.085 12.771 1.00 43.43 C ATOM 1382 C HIS A 84 -21.119 21.482 11.535 1.00 43.44 C ATOM 1383 O HIS A 84 -21.141 22.082 10.462 1.00 3.31 O ATOM 1384 CB HIS A 84 -20.722 23.592 12.909 1.00 70.13 C ATOM 1385 CG HIS A 84 -19.915 24.499 12.016 1.00 1.33 C ATOM 1386 ND1 HIS A 84 -19.641 24.447 10.688 1.00 3.41 N flip ATOM 1387 CD2 HIS A 84 -19.301 25.643 12.477 1.00 62.42 C flip ATOM 1388 CE1 HIS A 84 -18.878 25.546 10.385 1.00 33.23 C flip ATOM 1389 NE2 HIS A 84 -18.690 26.249 11.480 1.00 42.02 N flip ATOM 0 H HIS A 84 -18.396 22.663 12.560 1.00 3.41 H new ATOM 0 HA HIS A 84 -20.815 21.581 13.651 1.00 43.43 H new ATOM 0 HB2 HIS A 84 -21.780 23.751 12.700 1.00 70.13 H new ATOM 0 HB3 HIS A 84 -20.554 23.887 13.945 1.00 70.13 H new ATOM 0 HD1 HIS A 84 -19.946 23.724 10.036 1.00 3.41 H new ATOM 0 HD2 HIS A 84 -19.318 25.990 13.500 1.00 62.42 H new ATOM 0 HE1 HIS A 84 -18.494 25.793 9.406 1.00 33.23 H new ATOM 1398 N HIS A 85 -21.697 20.289 11.713 1.00 62.25 N ATOM 1399 CA HIS A 85 -22.377 19.545 10.631 1.00 31.41 C ATOM 1400 C HIS A 85 -21.390 19.035 9.548 1.00 50.24 C ATOM 1401 O HIS A 85 -21.231 19.701 8.495 1.00 38.61 O ATOM 1402 CB HIS A 85 -23.491 20.393 9.994 1.00 22.14 C ATOM 1403 CG HIS A 85 -24.544 20.822 10.970 1.00 20.24 C ATOM 1404 ND1 HIS A 85 -25.499 19.965 11.468 1.00 24.40 N ATOM 1405 CD2 HIS A 85 -24.787 22.025 11.548 1.00 10.13 C ATOM 1406 CE1 HIS A 85 -26.278 20.616 12.306 1.00 51.45 C ATOM 1407 NE2 HIS A 85 -25.871 21.866 12.374 1.00 4.12 N ATOM 1408 OXT HIS A 85 -20.799 17.949 9.747 1.00 38.61 O ATOM 0 H HIS A 85 -21.710 19.806 12.611 1.00 62.25 H new ATOM 0 HA HIS A 85 -22.827 18.666 11.092 1.00 31.41 H new ATOM 0 HB2 HIS A 85 -23.048 21.278 9.537 1.00 22.14 H new ATOM 0 HB3 HIS A 85 -23.960 19.821 9.193 1.00 22.14 H new ATOM 0 HD2 HIS A 85 -24.231 22.937 11.388 1.00 10.13 H new ATOM 0 HE1 HIS A 85 -27.112 20.195 12.848 1.00 51.45 H new ATOM 0 HE2 HIS A 85 -26.293 22.597 12.947 1.00 4.12 H new TER 1417 HIS A 85