USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 698 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 48 HIS : no HD1:sc= -3.27 K(o=-9.9,f=-12!) USER MOD Set 1.2: A 70 MET CE :methyl -171:sc= -6.58! (180deg=-7.59!) USER MOD Set 2.1: A 38 TYR OH : rot -8:sc= 0.0595 USER MOD Set 2.2: A 55 HIS : no HE2:sc= -1.63 X(o=-1.6,f=-1.1) USER MOD Set 3.1: A 53 THR OG1 : rot 160:sc= -1.66 USER MOD Set 3.2: A 62 HIS : no HD1:sc= -1.92 K(o=-3.6,f=-1) USER MOD Single : A 4 ASN : amide:sc= -0.776 K(o=-0.78,f=-2.4) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.214 USER MOD Single : A 8 ASN : amide:sc= -2.41 K(o=-2.4,f=-13!) USER MOD Single : A 9 ASN : amide:sc=-0.00837 X(o=-0.0084,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.179 USER MOD Single : A 21 THR OG1 : rot 102:sc= 1.23 USER MOD Single : A 23 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00879) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.286 X(o=-0.29,f=-0.061) USER MOD Single : A 30 TYR OH : rot 110:sc= -0.751 USER MOD Single : A 35 ASN : amide:sc= -0.489 K(o=-0.49,f=-3) USER MOD Single : A 36 GLN : amide:sc=-0.000496 X(o=-0.0005,f=-0.072) USER MOD Single : A 42 LYS NZ :NH3+ 163:sc= 0.00728 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 125:sc= -4.24! USER MOD Single : A 57 ASN : amide:sc= -1.46 X(o=-1.5,f=-1.8!) USER MOD Single : A 64 SER OG : rot 22:sc= 0.303 USER MOD Single : A 68 GLN : amide:sc= -0.465 K(o=-0.46,f=-3!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 THR OG1 : rot 77:sc= 0.137 USER MOD Single : A 87 LYS NZ :NH3+ -164:sc= -0.0713 (180deg=-0.41) USER MOD Single : A 88 HIS : no HE2:sc= -11.4! C(o=-11!,f=-7!) USER MOD Single : A 89 LYS NZ :NH3+ 175:sc= -0.0508 (180deg=-0.0869) USER MOD ----------------------------------------------------------------- ATOM 37 N LEU A 3 0.412 -10.455 -5.011 1.00 0.00 N ATOM 38 CA LEU A 3 -0.481 -9.512 -4.346 1.00 0.00 C ATOM 39 C LEU A 3 -1.834 -9.455 -5.048 1.00 0.00 C ATOM 40 O LEU A 3 -1.921 -9.613 -6.266 1.00 0.00 O ATOM 41 CB LEU A 3 0.151 -8.118 -4.302 1.00 0.00 C ATOM 42 CG LEU A 3 0.224 -7.389 -5.645 1.00 0.00 C ATOM 43 CD1 LEU A 3 0.387 -5.894 -5.429 1.00 0.00 C ATOM 44 CD2 LEU A 3 1.368 -7.937 -6.484 1.00 0.00 C ATOM 0 HA LEU A 3 -0.640 -9.859 -3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.416 -7.502 -3.604 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.161 -8.208 -3.901 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.709 -7.558 -6.183 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.437 -5.390 -6.394 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.464 -5.513 -4.865 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.305 -5.705 -4.873 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.407 -7.408 -7.436 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.309 -7.796 -5.952 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.209 -9.000 -6.666 1.00 0.00 H new ATOM 56 N ASN A 4 -2.887 -9.227 -4.271 1.00 0.00 N ATOM 57 CA ASN A 4 -4.238 -9.149 -4.816 1.00 0.00 C ATOM 58 C ASN A 4 -5.028 -8.027 -4.152 1.00 0.00 C ATOM 59 O ASN A 4 -4.741 -7.639 -3.018 1.00 0.00 O ATOM 60 CB ASN A 4 -4.964 -10.482 -4.627 1.00 0.00 C ATOM 61 CG ASN A 4 -4.194 -11.650 -5.211 1.00 0.00 C ATOM 62 OD1 ASN A 4 -3.118 -12.002 -4.728 1.00 0.00 O ATOM 63 ND2 ASN A 4 -4.741 -12.257 -6.257 1.00 0.00 N ATOM 0 H ASN A 4 -2.831 -9.093 -3.261 1.00 0.00 H new ATOM 0 HA ASN A 4 -4.162 -8.933 -5.882 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -5.129 -10.655 -3.563 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.946 -10.427 -5.097 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -4.267 -13.048 -6.693 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.635 -11.932 -6.625 1.00 0.00 H new ATOM 70 N ILE A 5 -6.024 -7.508 -4.863 1.00 0.00 N ATOM 71 CA ILE A 5 -6.853 -6.431 -4.340 1.00 0.00 C ATOM 72 C ILE A 5 -8.309 -6.864 -4.214 1.00 0.00 C ATOM 73 O ILE A 5 -8.792 -7.688 -4.991 1.00 0.00 O ATOM 74 CB ILE A 5 -6.787 -5.179 -5.236 1.00 0.00 C ATOM 75 CG1 ILE A 5 -5.338 -4.859 -5.606 1.00 0.00 C ATOM 76 CG2 ILE A 5 -7.436 -3.992 -4.540 1.00 0.00 C ATOM 77 CD1 ILE A 5 -5.202 -3.659 -6.519 1.00 0.00 C ATOM 0 H ILE A 5 -6.275 -7.816 -5.802 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.458 -6.188 -3.353 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.338 -5.383 -6.154 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.769 -4.679 -4.694 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.894 -5.728 -6.092 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -7.381 -3.116 -5.187 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.480 -4.221 -4.328 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.913 -3.787 -3.606 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.149 -3.488 -6.741 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.743 -3.844 -7.447 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.616 -2.779 -6.027 1.00 0.00 H new ATOM 89 N THR A 6 -9.006 -6.294 -3.238 1.00 0.00 N ATOM 90 CA THR A 6 -10.412 -6.600 -3.008 1.00 0.00 C ATOM 91 C THR A 6 -11.103 -5.399 -2.377 1.00 0.00 C ATOM 92 O THR A 6 -10.732 -4.969 -1.286 1.00 0.00 O ATOM 93 CB THR A 6 -10.552 -7.822 -2.102 1.00 0.00 C ATOM 94 OG1 THR A 6 -9.588 -8.806 -2.433 1.00 0.00 O ATOM 95 CG2 THR A 6 -11.916 -8.472 -2.174 1.00 0.00 C ATOM 0 H THR A 6 -8.616 -5.612 -2.588 1.00 0.00 H new ATOM 0 HA THR A 6 -10.884 -6.824 -3.965 1.00 0.00 H new ATOM 0 HB THR A 6 -10.402 -7.446 -1.090 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.693 -9.580 -1.841 1.00 0.00 H new ATOM 0 HG21 THR A 6 -11.945 -9.333 -1.506 1.00 0.00 H new ATOM 0 HG22 THR A 6 -12.678 -7.753 -1.873 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.110 -8.799 -3.196 1.00 0.00 H new ATOM 103 N GLY A 7 -12.093 -4.846 -3.066 1.00 0.00 N ATOM 104 CA GLY A 7 -12.791 -3.685 -2.543 1.00 0.00 C ATOM 105 C GLY A 7 -14.255 -3.939 -2.257 1.00 0.00 C ATOM 106 O GLY A 7 -14.960 -4.550 -3.061 1.00 0.00 O ATOM 0 H GLY A 7 -12.424 -5.177 -3.972 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.301 -3.359 -1.626 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.705 -2.867 -3.258 1.00 0.00 H new ATOM 110 N ASN A 8 -14.715 -3.446 -1.112 1.00 0.00 N ATOM 111 CA ASN A 8 -16.111 -3.597 -0.715 1.00 0.00 C ATOM 112 C ASN A 8 -16.927 -2.413 -1.221 1.00 0.00 C ATOM 113 O ASN A 8 -16.776 -1.291 -0.737 1.00 0.00 O ATOM 114 CB ASN A 8 -16.242 -3.713 0.811 1.00 0.00 C ATOM 115 CG ASN A 8 -15.259 -2.832 1.560 1.00 0.00 C ATOM 116 OD1 ASN A 8 -14.606 -1.970 0.975 1.00 0.00 O ATOM 117 ND2 ASN A 8 -15.149 -3.049 2.867 1.00 0.00 N ATOM 0 H ASN A 8 -14.140 -2.937 -0.441 1.00 0.00 H new ATOM 0 HA ASN A 8 -16.495 -4.515 -1.160 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -17.257 -3.446 1.104 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -16.088 -4.751 1.105 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -14.503 -2.489 3.424 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -15.710 -3.775 3.312 1.00 0.00 H new ATOM 124 N ASN A 9 -17.779 -2.665 -2.210 1.00 0.00 N ATOM 125 CA ASN A 9 -18.606 -1.613 -2.794 1.00 0.00 C ATOM 126 C ASN A 9 -17.742 -0.655 -3.606 1.00 0.00 C ATOM 127 O ASN A 9 -17.925 0.560 -3.557 1.00 0.00 O ATOM 128 CB ASN A 9 -19.356 -0.845 -1.701 1.00 0.00 C ATOM 129 CG ASN A 9 -20.604 -0.163 -2.227 1.00 0.00 C ATOM 130 OD1 ASN A 9 -20.662 1.061 -2.326 1.00 0.00 O ATOM 131 ND2 ASN A 9 -21.613 -0.958 -2.567 1.00 0.00 N ATOM 0 H ASN A 9 -17.915 -3.587 -2.624 1.00 0.00 H new ATOM 0 HA ASN A 9 -19.338 -2.078 -3.454 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -19.631 -1.532 -0.901 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -18.693 -0.098 -1.266 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -22.479 -0.557 -2.927 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -21.521 -1.969 -2.468 1.00 0.00 H new ATOM 138 N VAL A 10 -16.798 -1.217 -4.357 1.00 0.00 N ATOM 139 CA VAL A 10 -15.898 -0.421 -5.184 1.00 0.00 C ATOM 140 C VAL A 10 -15.439 -1.210 -6.406 1.00 0.00 C ATOM 141 O VAL A 10 -15.068 -2.379 -6.298 1.00 0.00 O ATOM 142 CB VAL A 10 -14.658 0.037 -4.392 1.00 0.00 C ATOM 143 CG1 VAL A 10 -13.917 1.130 -5.145 1.00 0.00 C ATOM 144 CG2 VAL A 10 -15.054 0.512 -3.001 1.00 0.00 C ATOM 0 H VAL A 10 -16.637 -2.223 -4.409 1.00 0.00 H new ATOM 0 HA VAL A 10 -16.458 0.457 -5.505 1.00 0.00 H new ATOM 0 HB VAL A 10 -13.988 -0.815 -4.281 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.045 1.441 -4.570 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -13.596 0.750 -6.115 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -14.578 1.984 -5.291 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -14.164 0.831 -2.458 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -15.747 1.349 -3.086 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -15.535 -0.304 -2.461 1.00 0.00 H new ATOM 154 N GLU A 11 -15.470 -0.567 -7.569 1.00 0.00 N ATOM 155 CA GLU A 11 -15.057 -1.215 -8.810 1.00 0.00 C ATOM 156 C GLU A 11 -13.560 -1.037 -9.047 1.00 0.00 C ATOM 157 O GLU A 11 -13.055 0.086 -9.080 1.00 0.00 O ATOM 158 CB GLU A 11 -15.845 -0.647 -9.992 1.00 0.00 C ATOM 159 CG GLU A 11 -16.350 -1.711 -10.952 1.00 0.00 C ATOM 160 CD GLU A 11 -15.315 -2.098 -11.990 1.00 0.00 C ATOM 161 OE1 GLU A 11 -14.409 -1.282 -12.258 1.00 0.00 O ATOM 162 OE2 GLU A 11 -15.411 -3.218 -12.535 1.00 0.00 O ATOM 0 H GLU A 11 -15.776 0.400 -7.679 1.00 0.00 H new ATOM 0 HA GLU A 11 -15.266 -2.281 -8.721 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -16.694 -0.079 -9.613 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -15.212 0.052 -10.538 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -16.641 -2.596 -10.387 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -17.245 -1.346 -11.455 1.00 0.00 H new ATOM 169 N ILE A 12 -12.857 -2.151 -9.215 1.00 0.00 N ATOM 170 CA ILE A 12 -11.417 -2.119 -9.452 1.00 0.00 C ATOM 171 C ILE A 12 -11.107 -1.600 -10.853 1.00 0.00 C ATOM 172 O ILE A 12 -11.367 -2.276 -11.849 1.00 0.00 O ATOM 173 CB ILE A 12 -10.787 -3.517 -9.278 1.00 0.00 C ATOM 174 CG1 ILE A 12 -11.080 -4.060 -7.876 1.00 0.00 C ATOM 175 CG2 ILE A 12 -9.284 -3.465 -9.531 1.00 0.00 C ATOM 176 CD1 ILE A 12 -10.356 -3.316 -6.772 1.00 0.00 C ATOM 0 H ILE A 12 -13.260 -3.088 -9.192 1.00 0.00 H new ATOM 0 HA ILE A 12 -10.986 -1.444 -8.713 1.00 0.00 H new ATOM 0 HB ILE A 12 -11.231 -4.191 -10.011 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.153 -4.009 -7.693 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -10.799 -5.113 -7.838 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.859 -4.461 -9.403 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.098 -3.119 -10.548 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.819 -2.779 -8.823 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.612 -3.756 -5.808 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.280 -3.388 -6.930 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -10.655 -2.268 -6.783 1.00 0.00 H new ATOM 188 N THR A 13 -10.548 -0.397 -10.921 1.00 0.00 N ATOM 189 CA THR A 13 -10.197 0.214 -12.198 1.00 0.00 C ATOM 190 C THR A 13 -8.686 0.365 -12.329 1.00 0.00 C ATOM 191 O THR A 13 -7.993 0.607 -11.342 1.00 0.00 O ATOM 192 CB THR A 13 -10.872 1.580 -12.336 1.00 0.00 C ATOM 193 OG1 THR A 13 -10.642 2.371 -11.184 1.00 0.00 O ATOM 194 CG2 THR A 13 -12.369 1.490 -12.540 1.00 0.00 C ATOM 0 H THR A 13 -10.328 0.175 -10.106 1.00 0.00 H new ATOM 0 HA THR A 13 -10.550 -0.440 -12.996 1.00 0.00 H new ATOM 0 HB THR A 13 -10.428 2.034 -13.222 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.080 3.241 -11.292 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.785 2.493 -12.630 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.579 0.927 -13.449 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.823 0.985 -11.687 1.00 0.00 H new ATOM 202 N GLU A 14 -8.183 0.202 -13.553 1.00 0.00 N ATOM 203 CA GLU A 14 -6.748 0.302 -13.836 1.00 0.00 C ATOM 204 C GLU A 14 -6.049 1.324 -12.940 1.00 0.00 C ATOM 205 O GLU A 14 -5.043 1.015 -12.303 1.00 0.00 O ATOM 206 CB GLU A 14 -6.528 0.668 -15.305 1.00 0.00 C ATOM 207 CG GLU A 14 -5.337 -0.033 -15.937 1.00 0.00 C ATOM 208 CD GLU A 14 -5.198 0.272 -17.416 1.00 0.00 C ATOM 209 OE1 GLU A 14 -6.225 0.249 -18.125 1.00 0.00 O ATOM 210 OE2 GLU A 14 -4.062 0.533 -17.865 1.00 0.00 O ATOM 0 H GLU A 14 -8.754 -0.002 -14.373 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.309 -0.673 -13.626 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.426 0.420 -15.871 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.388 1.746 -15.385 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.426 0.269 -15.420 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.439 -1.110 -15.800 1.00 0.00 H new ATOM 217 N ALA A 15 -6.585 2.540 -12.892 1.00 0.00 N ATOM 218 CA ALA A 15 -6.002 3.595 -12.069 1.00 0.00 C ATOM 219 C ALA A 15 -5.958 3.186 -10.601 1.00 0.00 C ATOM 220 O ALA A 15 -4.934 3.334 -9.933 1.00 0.00 O ATOM 221 CB ALA A 15 -6.787 4.887 -12.235 1.00 0.00 C ATOM 0 H ALA A 15 -7.418 2.819 -13.411 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.978 3.759 -12.404 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.342 5.666 -11.616 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.762 5.196 -13.280 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.821 4.727 -11.928 1.00 0.00 H new ATOM 227 N LEU A 16 -7.076 2.665 -10.106 1.00 0.00 N ATOM 228 CA LEU A 16 -7.175 2.229 -8.717 1.00 0.00 C ATOM 229 C LEU A 16 -6.090 1.205 -8.390 1.00 0.00 C ATOM 230 O LEU A 16 -5.332 1.368 -7.434 1.00 0.00 O ATOM 231 CB LEU A 16 -8.559 1.628 -8.453 1.00 0.00 C ATOM 232 CG LEU A 16 -9.203 2.043 -7.130 1.00 0.00 C ATOM 233 CD1 LEU A 16 -8.368 1.557 -5.954 1.00 0.00 C ATOM 234 CD2 LEU A 16 -9.384 3.554 -7.074 1.00 0.00 C ATOM 0 H LEU A 16 -7.930 2.534 -10.649 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.033 3.098 -8.074 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.224 1.913 -9.268 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.477 0.541 -8.474 1.00 0.00 H new ATOM 0 HG LEU A 16 -10.187 1.579 -7.065 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.842 1.862 -5.021 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.294 0.470 -5.985 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.370 1.991 -6.013 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.844 3.830 -6.125 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.412 4.040 -7.162 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -10.026 3.874 -7.895 1.00 0.00 H new ATOM 246 N ARG A 17 -6.027 0.151 -9.194 1.00 0.00 N ATOM 247 CA ARG A 17 -5.038 -0.903 -8.999 1.00 0.00 C ATOM 248 C ARG A 17 -3.630 -0.382 -9.273 1.00 0.00 C ATOM 249 O ARG A 17 -2.687 -0.701 -8.549 1.00 0.00 O ATOM 250 CB ARG A 17 -5.343 -2.097 -9.907 1.00 0.00 C ATOM 251 CG ARG A 17 -5.400 -1.742 -11.384 1.00 0.00 C ATOM 252 CD ARG A 17 -5.497 -2.985 -12.253 1.00 0.00 C ATOM 253 NE ARG A 17 -4.612 -2.913 -13.413 1.00 0.00 N ATOM 254 CZ ARG A 17 -4.213 -3.975 -14.109 1.00 0.00 C ATOM 255 NH1 ARG A 17 -4.619 -5.191 -13.770 1.00 0.00 N ATOM 256 NH2 ARG A 17 -3.404 -3.819 -15.150 1.00 0.00 N ATOM 0 H ARG A 17 -6.650 0.003 -9.988 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.090 -1.229 -7.960 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.581 -2.862 -9.755 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.297 -2.534 -9.610 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.259 -1.098 -11.571 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.511 -1.174 -11.657 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.245 -3.863 -11.659 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -6.526 -3.113 -12.589 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.280 -1.994 -13.707 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.241 -5.317 -12.971 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.309 -6.000 -14.308 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.089 -2.886 -15.416 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.098 -4.632 -15.684 1.00 0.00 H new ATOM 270 N GLU A 18 -3.498 0.417 -10.326 1.00 0.00 N ATOM 271 CA GLU A 18 -2.207 0.980 -10.705 1.00 0.00 C ATOM 272 C GLU A 18 -1.653 1.891 -9.613 1.00 0.00 C ATOM 273 O GLU A 18 -0.534 1.694 -9.141 1.00 0.00 O ATOM 274 CB GLU A 18 -2.331 1.759 -12.016 1.00 0.00 C ATOM 275 CG GLU A 18 -2.316 0.874 -13.252 1.00 0.00 C ATOM 276 CD GLU A 18 -0.921 0.403 -13.615 1.00 0.00 C ATOM 277 OE1 GLU A 18 -0.486 -0.636 -13.075 1.00 0.00 O ATOM 278 OE2 GLU A 18 -0.263 1.073 -14.438 1.00 0.00 O ATOM 0 H GLU A 18 -4.271 0.690 -10.933 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.513 0.151 -10.841 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.257 2.333 -12.002 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.512 2.476 -12.082 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.955 0.008 -13.082 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.740 1.423 -14.093 1.00 0.00 H new ATOM 285 N PHE A 19 -2.434 2.895 -9.225 1.00 0.00 N ATOM 286 CA PHE A 19 -2.005 3.840 -8.198 1.00 0.00 C ATOM 287 C PHE A 19 -1.513 3.108 -6.947 1.00 0.00 C ATOM 288 O PHE A 19 -0.432 3.402 -6.437 1.00 0.00 O ATOM 289 CB PHE A 19 -3.137 4.834 -7.877 1.00 0.00 C ATOM 290 CG PHE A 19 -3.972 4.513 -6.664 1.00 0.00 C ATOM 291 CD1 PHE A 19 -3.427 4.533 -5.389 1.00 0.00 C ATOM 292 CD2 PHE A 19 -5.312 4.214 -6.807 1.00 0.00 C ATOM 293 CE1 PHE A 19 -4.209 4.255 -4.283 1.00 0.00 C ATOM 294 CE2 PHE A 19 -6.099 3.933 -5.708 1.00 0.00 C ATOM 295 CZ PHE A 19 -5.548 3.953 -4.444 1.00 0.00 C ATOM 0 H PHE A 19 -3.364 3.075 -9.604 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.161 4.413 -8.583 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.698 5.822 -7.741 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.797 4.895 -8.742 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.381 4.768 -5.259 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.751 4.200 -7.793 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -3.774 4.274 -3.295 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -7.145 3.698 -5.838 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.161 3.733 -3.582 1.00 0.00 H new ATOM 305 N VAL A 20 -2.298 2.149 -6.468 1.00 0.00 N ATOM 306 CA VAL A 20 -1.916 1.378 -5.291 1.00 0.00 C ATOM 307 C VAL A 20 -0.611 0.632 -5.546 1.00 0.00 C ATOM 308 O VAL A 20 0.348 0.739 -4.776 1.00 0.00 O ATOM 309 CB VAL A 20 -3.007 0.365 -4.890 1.00 0.00 C ATOM 310 CG1 VAL A 20 -2.659 -0.301 -3.569 1.00 0.00 C ATOM 311 CG2 VAL A 20 -4.367 1.044 -4.811 1.00 0.00 C ATOM 0 H VAL A 20 -3.197 1.888 -6.874 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.786 2.086 -4.472 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.057 -0.407 -5.658 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.441 -1.012 -3.303 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.709 -0.826 -3.665 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.578 0.457 -2.790 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.123 0.312 -4.527 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.334 1.839 -4.067 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.619 1.467 -5.783 1.00 0.00 H new ATOM 321 N THR A 21 -0.577 -0.118 -6.643 1.00 0.00 N ATOM 322 CA THR A 21 0.611 -0.872 -7.014 1.00 0.00 C ATOM 323 C THR A 21 1.799 0.063 -7.217 1.00 0.00 C ATOM 324 O THR A 21 2.953 -0.350 -7.103 1.00 0.00 O ATOM 325 CB THR A 21 0.355 -1.676 -8.290 1.00 0.00 C ATOM 326 OG1 THR A 21 -0.831 -2.442 -8.169 1.00 0.00 O ATOM 327 CG2 THR A 21 1.482 -2.627 -8.635 1.00 0.00 C ATOM 0 H THR A 21 -1.360 -0.219 -7.289 1.00 0.00 H new ATOM 0 HA THR A 21 0.844 -1.562 -6.203 1.00 0.00 H new ATOM 0 HB THR A 21 0.269 -0.936 -9.086 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.558 -1.998 -8.653 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.236 -3.166 -9.550 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.402 -2.062 -8.782 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.620 -3.339 -7.821 1.00 0.00 H new ATOM 335 N ALA A 22 1.508 1.330 -7.514 1.00 0.00 N ATOM 336 CA ALA A 22 2.554 2.323 -7.724 1.00 0.00 C ATOM 337 C ALA A 22 3.480 2.397 -6.516 1.00 0.00 C ATOM 338 O ALA A 22 4.702 2.406 -6.657 1.00 0.00 O ATOM 339 CB ALA A 22 1.938 3.685 -8.010 1.00 0.00 C ATOM 0 H ALA A 22 0.558 1.689 -7.614 1.00 0.00 H new ATOM 0 HA ALA A 22 3.147 2.021 -8.587 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.730 4.417 -8.165 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.320 3.624 -8.906 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.322 3.990 -7.164 1.00 0.00 H new ATOM 345 N LYS A 23 2.888 2.433 -5.326 1.00 0.00 N ATOM 346 CA LYS A 23 3.661 2.486 -4.093 1.00 0.00 C ATOM 347 C LYS A 23 4.316 1.136 -3.832 1.00 0.00 C ATOM 348 O LYS A 23 5.487 1.059 -3.465 1.00 0.00 O ATOM 349 CB LYS A 23 2.769 2.870 -2.911 1.00 0.00 C ATOM 350 CG LYS A 23 1.887 4.078 -3.179 1.00 0.00 C ATOM 351 CD LYS A 23 2.708 5.350 -3.316 1.00 0.00 C ATOM 352 CE LYS A 23 1.994 6.384 -4.171 1.00 0.00 C ATOM 353 NZ LYS A 23 2.498 6.396 -5.572 1.00 0.00 N ATOM 0 H LYS A 23 1.877 2.426 -5.191 1.00 0.00 H new ATOM 0 HA LYS A 23 4.435 3.246 -4.203 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.137 2.020 -2.653 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.398 3.075 -2.044 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.313 3.915 -4.091 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.169 4.193 -2.367 1.00 0.00 H new ATOM 0 HD2 LYS A 23 2.904 5.766 -2.328 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.675 5.114 -3.760 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.924 6.176 -4.173 1.00 0.00 H new ATOM 0 HE3 LYS A 23 2.126 7.372 -3.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.939 7.067 -6.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.497 6.686 -5.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.411 5.443 -5.980 1.00 0.00 H new ATOM 367 N PHE A 24 3.548 0.071 -4.042 1.00 0.00 N ATOM 368 CA PHE A 24 4.048 -1.287 -3.846 1.00 0.00 C ATOM 369 C PHE A 24 5.200 -1.594 -4.806 1.00 0.00 C ATOM 370 O PHE A 24 5.923 -2.574 -4.627 1.00 0.00 O ATOM 371 CB PHE A 24 2.920 -2.301 -4.042 1.00 0.00 C ATOM 372 CG PHE A 24 2.249 -2.707 -2.761 1.00 0.00 C ATOM 373 CD1 PHE A 24 2.760 -3.739 -1.991 1.00 0.00 C ATOM 374 CD2 PHE A 24 1.107 -2.053 -2.325 1.00 0.00 C ATOM 375 CE1 PHE A 24 2.146 -4.115 -0.812 1.00 0.00 C ATOM 376 CE2 PHE A 24 0.487 -2.425 -1.146 1.00 0.00 C ATOM 377 CZ PHE A 24 1.007 -3.455 -0.389 1.00 0.00 C ATOM 0 H PHE A 24 2.576 0.122 -4.348 1.00 0.00 H new ATOM 0 HA PHE A 24 4.423 -1.363 -2.826 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.174 -1.877 -4.715 1.00 0.00 H new ATOM 0 HB3 PHE A 24 3.322 -3.189 -4.530 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.650 -4.256 -2.317 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.697 -1.245 -2.912 1.00 0.00 H new ATOM 0 HE1 PHE A 24 2.555 -4.922 -0.222 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.404 -1.910 -0.818 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.525 -3.745 0.533 1.00 0.00 H new ATOM 387 N ALA A 25 5.376 -0.740 -5.813 1.00 0.00 N ATOM 388 CA ALA A 25 6.450 -0.914 -6.781 1.00 0.00 C ATOM 389 C ALA A 25 7.755 -0.356 -6.229 1.00 0.00 C ATOM 390 O ALA A 25 8.768 -1.055 -6.169 1.00 0.00 O ATOM 391 CB ALA A 25 6.092 -0.234 -8.095 1.00 0.00 C ATOM 0 H ALA A 25 4.788 0.077 -5.977 1.00 0.00 H new ATOM 0 HA ALA A 25 6.582 -1.980 -6.968 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.904 -0.372 -8.809 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.178 -0.673 -8.495 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.937 0.831 -7.923 1.00 0.00 H new ATOM 397 N LYS A 26 7.720 0.907 -5.817 1.00 0.00 N ATOM 398 CA LYS A 26 8.896 1.562 -5.256 1.00 0.00 C ATOM 399 C LYS A 26 9.267 0.954 -3.904 1.00 0.00 C ATOM 400 O LYS A 26 10.377 1.147 -3.411 1.00 0.00 O ATOM 401 CB LYS A 26 8.643 3.064 -5.102 1.00 0.00 C ATOM 402 CG LYS A 26 9.896 3.863 -4.790 1.00 0.00 C ATOM 403 CD LYS A 26 9.567 5.148 -4.045 1.00 0.00 C ATOM 404 CE LYS A 26 9.211 4.874 -2.594 1.00 0.00 C ATOM 405 NZ LYS A 26 8.882 6.125 -1.857 1.00 0.00 N ATOM 0 H LYS A 26 6.890 1.498 -5.861 1.00 0.00 H new ATOM 0 HA LYS A 26 9.729 1.409 -5.942 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.199 3.445 -6.021 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.914 3.222 -4.307 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.575 3.257 -4.190 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.417 4.102 -5.717 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.420 5.825 -4.090 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.735 5.652 -4.536 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.361 4.193 -2.551 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.046 4.373 -2.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.645 5.895 -0.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.702 6.765 -1.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.069 6.591 -2.309 1.00 0.00 H new ATOM 419 N LEU A 27 8.333 0.210 -3.313 1.00 0.00 N ATOM 420 CA LEU A 27 8.568 -0.429 -2.023 1.00 0.00 C ATOM 421 C LEU A 27 9.212 -1.799 -2.214 1.00 0.00 C ATOM 422 O LEU A 27 10.072 -2.205 -1.434 1.00 0.00 O ATOM 423 CB LEU A 27 7.260 -0.571 -1.242 1.00 0.00 C ATOM 424 CG LEU A 27 6.868 0.637 -0.384 1.00 0.00 C ATOM 425 CD1 LEU A 27 6.765 1.901 -1.227 1.00 0.00 C ATOM 426 CD2 LEU A 27 5.557 0.371 0.338 1.00 0.00 C ATOM 0 H LEU A 27 7.409 0.036 -3.708 1.00 0.00 H new ATOM 0 HA LEU A 27 9.248 0.203 -1.452 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.455 -0.769 -1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.337 -1.445 -0.595 1.00 0.00 H new ATOM 0 HG LEU A 27 7.652 0.792 0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.485 2.741 -0.591 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.728 2.105 -1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.008 1.763 -1.999 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.292 1.238 0.943 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.770 0.185 -0.393 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.667 -0.501 0.983 1.00 0.00 H new ATOM 438 N GLU A 28 8.792 -2.501 -3.261 1.00 0.00 N ATOM 439 CA GLU A 28 9.329 -3.822 -3.563 1.00 0.00 C ATOM 440 C GLU A 28 10.841 -3.770 -3.790 1.00 0.00 C ATOM 441 O GLU A 28 11.514 -4.801 -3.771 1.00 0.00 O ATOM 442 CB GLU A 28 8.636 -4.407 -4.796 1.00 0.00 C ATOM 443 CG GLU A 28 7.491 -5.347 -4.462 1.00 0.00 C ATOM 444 CD GLU A 28 7.323 -6.451 -5.487 1.00 0.00 C ATOM 445 OE1 GLU A 28 6.849 -6.156 -6.604 1.00 0.00 O ATOM 446 OE2 GLU A 28 7.668 -7.610 -5.174 1.00 0.00 O ATOM 0 H GLU A 28 8.080 -2.176 -3.915 1.00 0.00 H new ATOM 0 HA GLU A 28 9.137 -4.464 -2.704 1.00 0.00 H new ATOM 0 HB2 GLU A 28 8.257 -3.591 -5.411 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.372 -4.943 -5.396 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.664 -5.790 -3.481 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.565 -4.776 -4.394 1.00 0.00 H new ATOM 453 N GLN A 29 11.373 -2.567 -4.005 1.00 0.00 N ATOM 454 CA GLN A 29 12.802 -2.393 -4.235 1.00 0.00 C ATOM 455 C GLN A 29 13.602 -2.664 -2.963 1.00 0.00 C ATOM 456 O GLN A 29 14.502 -3.503 -2.956 1.00 0.00 O ATOM 457 CB GLN A 29 13.089 -0.978 -4.737 1.00 0.00 C ATOM 458 CG GLN A 29 14.520 -0.777 -5.208 1.00 0.00 C ATOM 459 CD GLN A 29 15.350 0.029 -4.228 1.00 0.00 C ATOM 460 OE1 GLN A 29 16.436 -0.387 -3.827 1.00 0.00 O ATOM 461 NE2 GLN A 29 14.838 1.191 -3.835 1.00 0.00 N ATOM 0 H GLN A 29 10.834 -1.701 -4.024 1.00 0.00 H new ATOM 0 HA GLN A 29 13.109 -3.113 -4.993 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.410 -0.748 -5.558 1.00 0.00 H new ATOM 0 HB3 GLN A 29 12.875 -0.268 -3.938 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.988 -1.749 -5.361 1.00 0.00 H new ATOM 0 HG3 GLN A 29 14.513 -0.272 -6.174 1.00 0.00 H new ATOM 0 HE21 GLN A 29 13.933 1.497 -4.193 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.350 1.777 -3.175 1.00 0.00 H new ATOM 470 N TYR A 30 13.271 -1.949 -1.890 1.00 0.00 N ATOM 471 CA TYR A 30 13.970 -2.123 -0.619 1.00 0.00 C ATOM 472 C TYR A 30 13.299 -3.186 0.248 1.00 0.00 C ATOM 473 O TYR A 30 13.939 -3.781 1.115 1.00 0.00 O ATOM 474 CB TYR A 30 14.067 -0.797 0.147 1.00 0.00 C ATOM 475 CG TYR A 30 12.866 0.113 -0.012 1.00 0.00 C ATOM 476 CD1 TYR A 30 11.696 -0.119 0.698 1.00 0.00 C ATOM 477 CD2 TYR A 30 12.910 1.211 -0.862 1.00 0.00 C ATOM 478 CE1 TYR A 30 10.602 0.714 0.562 1.00 0.00 C ATOM 479 CE2 TYR A 30 11.820 2.048 -1.005 1.00 0.00 C ATOM 480 CZ TYR A 30 10.670 1.796 -0.289 1.00 0.00 C ATOM 481 OH TYR A 30 9.582 2.628 -0.427 1.00 0.00 O ATOM 0 H TYR A 30 12.529 -1.249 -1.875 1.00 0.00 H new ATOM 0 HA TYR A 30 14.979 -2.462 -0.852 1.00 0.00 H new ATOM 0 HB2 TYR A 30 14.204 -1.014 1.206 1.00 0.00 H new ATOM 0 HB3 TYR A 30 14.957 -0.264 -0.187 1.00 0.00 H new ATOM 0 HD1 TYR A 30 11.640 -0.964 1.368 1.00 0.00 H new ATOM 0 HD2 TYR A 30 13.812 1.414 -1.421 1.00 0.00 H new ATOM 0 HE1 TYR A 30 9.698 0.518 1.120 1.00 0.00 H new ATOM 0 HE2 TYR A 30 11.869 2.895 -1.674 1.00 0.00 H new ATOM 0 HH TYR A 30 9.779 3.495 -0.015 1.00 0.00 H new ATOM 491 N PHE A 31 12.013 -3.432 0.008 1.00 0.00 N ATOM 492 CA PHE A 31 11.279 -4.435 0.772 1.00 0.00 C ATOM 493 C PHE A 31 11.305 -5.782 0.056 1.00 0.00 C ATOM 494 O PHE A 31 10.819 -5.908 -1.068 1.00 0.00 O ATOM 495 CB PHE A 31 9.827 -3.995 0.995 1.00 0.00 C ATOM 496 CG PHE A 31 9.669 -2.827 1.933 1.00 0.00 C ATOM 497 CD1 PHE A 31 10.631 -2.544 2.894 1.00 0.00 C ATOM 498 CD2 PHE A 31 8.553 -2.010 1.852 1.00 0.00 C ATOM 499 CE1 PHE A 31 10.479 -1.471 3.752 1.00 0.00 C ATOM 500 CE2 PHE A 31 8.397 -0.937 2.708 1.00 0.00 C ATOM 501 CZ PHE A 31 9.361 -0.667 3.659 1.00 0.00 C ATOM 0 H PHE A 31 11.462 -2.954 -0.705 1.00 0.00 H new ATOM 0 HA PHE A 31 11.767 -4.540 1.741 1.00 0.00 H new ATOM 0 HB2 PHE A 31 9.387 -3.735 0.032 1.00 0.00 H new ATOM 0 HB3 PHE A 31 9.260 -4.840 1.387 1.00 0.00 H new ATOM 0 HD1 PHE A 31 11.508 -3.170 2.972 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.795 -2.215 1.110 1.00 0.00 H new ATOM 0 HE1 PHE A 31 11.235 -1.262 4.495 1.00 0.00 H new ATOM 0 HE2 PHE A 31 7.521 -0.309 2.633 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.240 0.172 4.329 1.00 0.00 H new ATOM 511 N ASP A 32 11.880 -6.785 0.714 1.00 0.00 N ATOM 512 CA ASP A 32 11.972 -8.122 0.137 1.00 0.00 C ATOM 513 C ASP A 32 10.968 -9.068 0.788 1.00 0.00 C ATOM 514 O ASP A 32 10.464 -9.990 0.147 1.00 0.00 O ATOM 515 CB ASP A 32 13.390 -8.674 0.299 1.00 0.00 C ATOM 516 CG ASP A 32 14.273 -8.357 -0.893 1.00 0.00 C ATOM 517 OD1 ASP A 32 14.442 -7.158 -1.203 1.00 0.00 O ATOM 518 OD2 ASP A 32 14.794 -9.306 -1.515 1.00 0.00 O ATOM 0 H ASP A 32 12.288 -6.697 1.645 1.00 0.00 H new ATOM 0 HA ASP A 32 11.737 -8.048 -0.925 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.838 -8.257 1.201 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.343 -9.754 0.436 1.00 0.00 H new ATOM 523 N ARG A 33 10.684 -8.834 2.065 1.00 0.00 N ATOM 524 CA ARG A 33 9.740 -9.667 2.800 1.00 0.00 C ATOM 525 C ARG A 33 8.317 -9.444 2.298 1.00 0.00 C ATOM 526 O ARG A 33 7.478 -8.882 3.002 1.00 0.00 O ATOM 527 CB ARG A 33 9.818 -9.365 4.299 1.00 0.00 C ATOM 528 CG ARG A 33 11.241 -9.239 4.822 1.00 0.00 C ATOM 529 CD ARG A 33 11.472 -7.898 5.500 1.00 0.00 C ATOM 530 NE ARG A 33 12.839 -7.418 5.314 1.00 0.00 N ATOM 531 CZ ARG A 33 13.908 -7.995 5.860 1.00 0.00 C ATOM 532 NH1 ARG A 33 13.771 -9.070 6.627 1.00 0.00 N ATOM 533 NH2 ARG A 33 15.115 -7.495 5.640 1.00 0.00 N ATOM 0 H ARG A 33 11.093 -8.076 2.611 1.00 0.00 H new ATOM 0 HA ARG A 33 10.007 -10.711 2.634 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.282 -8.438 4.503 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.307 -10.156 4.848 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.442 -10.044 5.529 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.944 -9.356 3.997 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.773 -7.164 5.099 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.262 -7.990 6.566 1.00 0.00 H new ATOM 0 HE ARG A 33 12.983 -6.593 4.732 1.00 0.00 H new ATOM 0 HH11 ARG A 33 12.844 -9.458 6.801 1.00 0.00 H new ATOM 0 HH12 ARG A 33 14.593 -9.508 7.043 1.00 0.00 H new ATOM 0 HH21 ARG A 33 15.225 -6.668 5.053 1.00 0.00 H new ATOM 0 HH22 ARG A 33 15.934 -7.937 6.058 1.00 0.00 H new ATOM 547 N ILE A 34 8.050 -9.889 1.074 1.00 0.00 N ATOM 548 CA ILE A 34 6.728 -9.738 0.477 1.00 0.00 C ATOM 549 C ILE A 34 6.342 -10.975 -0.325 1.00 0.00 C ATOM 550 O ILE A 34 6.922 -11.253 -1.375 1.00 0.00 O ATOM 551 CB ILE A 34 6.666 -8.503 -0.444 1.00 0.00 C ATOM 552 CG1 ILE A 34 7.249 -7.280 0.265 1.00 0.00 C ATOM 553 CG2 ILE A 34 5.233 -8.239 -0.879 1.00 0.00 C ATOM 554 CD1 ILE A 34 7.457 -6.092 -0.650 1.00 0.00 C ATOM 0 H ILE A 34 8.732 -10.357 0.477 1.00 0.00 H new ATOM 0 HA ILE A 34 6.023 -9.607 1.298 1.00 0.00 H new ATOM 0 HB ILE A 34 7.264 -8.701 -1.334 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.583 -6.990 1.078 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.203 -7.552 0.716 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.205 -7.364 -1.529 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.852 -9.105 -1.420 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.614 -8.058 -0.001 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.873 -5.262 -0.079 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.147 -6.364 -1.449 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.502 -5.793 -1.081 1.00 0.00 H new ATOM 566 N ASN A 35 5.356 -11.714 0.173 1.00 0.00 N ATOM 567 CA ASN A 35 4.888 -12.921 -0.500 1.00 0.00 C ATOM 568 C ASN A 35 3.406 -12.808 -0.842 1.00 0.00 C ATOM 569 O ASN A 35 3.015 -12.928 -2.005 1.00 0.00 O ATOM 570 CB ASN A 35 5.134 -14.154 0.374 1.00 0.00 C ATOM 571 CG ASN A 35 4.823 -13.904 1.837 1.00 0.00 C ATOM 572 OD1 ASN A 35 3.711 -14.163 2.300 1.00 0.00 O ATOM 573 ND2 ASN A 35 5.804 -13.396 2.573 1.00 0.00 N ATOM 0 H ASN A 35 4.865 -11.498 1.041 1.00 0.00 H new ATOM 0 HA ASN A 35 5.451 -13.031 -1.427 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.521 -14.979 0.012 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.175 -14.463 0.275 1.00 0.00 H new ATOM 0 HD21 ASN A 35 5.652 -13.205 3.563 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.710 -13.197 2.148 1.00 0.00 H new ATOM 580 N GLN A 36 2.585 -12.571 0.176 1.00 0.00 N ATOM 581 CA GLN A 36 1.146 -12.435 -0.018 1.00 0.00 C ATOM 582 C GLN A 36 0.637 -11.141 0.604 1.00 0.00 C ATOM 583 O GLN A 36 0.715 -10.953 1.819 1.00 0.00 O ATOM 584 CB GLN A 36 0.411 -13.629 0.593 1.00 0.00 C ATOM 585 CG GLN A 36 -1.088 -13.613 0.342 1.00 0.00 C ATOM 586 CD GLN A 36 -1.487 -14.444 -0.863 1.00 0.00 C ATOM 587 OE1 GLN A 36 -1.234 -15.647 -0.912 1.00 0.00 O ATOM 588 NE2 GLN A 36 -2.113 -13.802 -1.842 1.00 0.00 N ATOM 0 H GLN A 36 2.892 -12.469 1.143 1.00 0.00 H new ATOM 0 HA GLN A 36 0.950 -12.407 -1.090 1.00 0.00 H new ATOM 0 HB2 GLN A 36 0.829 -14.550 0.186 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.591 -13.645 1.668 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.604 -13.989 1.225 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.417 -12.584 0.194 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -2.302 -12.803 -1.758 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -2.405 -14.308 -2.678 1.00 0.00 H new ATOM 597 N VAL A 37 0.118 -10.249 -0.233 1.00 0.00 N ATOM 598 CA VAL A 37 -0.402 -8.971 0.239 1.00 0.00 C ATOM 599 C VAL A 37 -1.849 -8.778 -0.193 1.00 0.00 C ATOM 600 O VAL A 37 -2.206 -9.047 -1.340 1.00 0.00 O ATOM 601 CB VAL A 37 0.435 -7.786 -0.287 1.00 0.00 C ATOM 602 CG1 VAL A 37 0.180 -6.541 0.548 1.00 0.00 C ATOM 603 CG2 VAL A 37 1.916 -8.132 -0.301 1.00 0.00 C ATOM 0 H VAL A 37 0.046 -10.387 -1.241 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.343 -8.992 1.327 1.00 0.00 H new ATOM 0 HB VAL A 37 0.128 -7.580 -1.312 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.779 -5.716 0.163 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.877 -6.278 0.496 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.455 -6.736 1.585 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.485 -7.281 -0.676 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.244 -8.370 0.711 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.082 -8.993 -0.948 1.00 0.00 H new ATOM 613 N TYR A 38 -2.680 -8.307 0.730 1.00 0.00 N ATOM 614 CA TYR A 38 -4.090 -8.074 0.439 1.00 0.00 C ATOM 615 C TYR A 38 -4.523 -6.690 0.912 1.00 0.00 C ATOM 616 O TYR A 38 -4.275 -6.302 2.053 1.00 0.00 O ATOM 617 CB TYR A 38 -4.967 -9.158 1.075 1.00 0.00 C ATOM 618 CG TYR A 38 -4.457 -9.680 2.401 1.00 0.00 C ATOM 619 CD1 TYR A 38 -3.284 -10.423 2.473 1.00 0.00 C ATOM 620 CD2 TYR A 38 -5.153 -9.438 3.579 1.00 0.00 C ATOM 621 CE1 TYR A 38 -2.820 -10.908 3.680 1.00 0.00 C ATOM 622 CE2 TYR A 38 -4.694 -9.920 4.790 1.00 0.00 C ATOM 623 CZ TYR A 38 -3.528 -10.654 4.835 1.00 0.00 C ATOM 624 OH TYR A 38 -3.069 -11.135 6.040 1.00 0.00 O ATOM 0 H TYR A 38 -2.402 -8.079 1.685 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.219 -8.121 -0.642 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.971 -8.758 1.218 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -5.053 -9.993 0.379 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.727 -10.624 1.570 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.067 -8.864 3.548 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.907 -11.483 3.719 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -5.246 -9.723 5.697 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.313 -11.739 5.885 1.00 0.00 H new ATOM 634 N VAL A 39 -5.170 -5.950 0.017 1.00 0.00 N ATOM 635 CA VAL A 39 -5.642 -4.605 0.324 1.00 0.00 C ATOM 636 C VAL A 39 -7.157 -4.513 0.189 1.00 0.00 C ATOM 637 O VAL A 39 -7.757 -5.179 -0.655 1.00 0.00 O ATOM 638 CB VAL A 39 -4.988 -3.558 -0.599 1.00 0.00 C ATOM 639 CG1 VAL A 39 -5.379 -2.150 -0.176 1.00 0.00 C ATOM 640 CG2 VAL A 39 -3.476 -3.719 -0.603 1.00 0.00 C ATOM 0 H VAL A 39 -5.380 -6.262 -0.931 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.359 -4.395 1.356 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.351 -3.721 -1.614 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.907 -1.426 -0.840 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.462 -2.041 -0.232 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.049 -1.973 0.847 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.032 -2.971 -1.260 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.093 -3.586 0.409 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.217 -4.716 -0.961 1.00 0.00 H new ATOM 650 N VAL A 40 -7.774 -3.679 1.022 1.00 0.00 N ATOM 651 CA VAL A 40 -9.220 -3.499 0.987 1.00 0.00 C ATOM 652 C VAL A 40 -9.599 -2.061 1.294 1.00 0.00 C ATOM 653 O VAL A 40 -9.114 -1.463 2.254 1.00 0.00 O ATOM 654 CB VAL A 40 -9.934 -4.436 1.978 1.00 0.00 C ATOM 655 CG1 VAL A 40 -11.440 -4.376 1.781 1.00 0.00 C ATOM 656 CG2 VAL A 40 -9.424 -5.861 1.825 1.00 0.00 C ATOM 0 H VAL A 40 -7.295 -3.119 1.727 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.544 -3.749 -0.023 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.712 -4.101 2.991 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.927 -5.045 2.491 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.788 -3.356 1.946 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.687 -4.683 0.765 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.939 -6.510 2.533 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.614 -6.208 0.810 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.352 -5.887 2.023 1.00 0.00 H new ATOM 666 N LEU A 41 -10.456 -1.507 0.449 1.00 0.00 N ATOM 667 CA LEU A 41 -10.898 -0.130 0.593 1.00 0.00 C ATOM 668 C LEU A 41 -12.416 -0.012 0.492 1.00 0.00 C ATOM 669 O LEU A 41 -13.031 -0.515 -0.447 1.00 0.00 O ATOM 670 CB LEU A 41 -10.217 0.743 -0.466 1.00 0.00 C ATOM 671 CG LEU A 41 -9.931 0.056 -1.809 1.00 0.00 C ATOM 672 CD1 LEU A 41 -8.917 -1.068 -1.643 1.00 0.00 C ATOM 673 CD2 LEU A 41 -11.216 -0.465 -2.435 1.00 0.00 C ATOM 0 H LEU A 41 -10.861 -1.996 -0.349 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.613 0.218 1.586 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.845 1.615 -0.651 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.275 1.109 -0.058 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.502 0.799 -2.481 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.733 -1.537 -2.609 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.984 -0.661 -1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.308 -1.811 -0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.988 -0.948 -3.385 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.681 -1.187 -1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.901 0.366 -2.605 1.00 0.00 H new ATOM 685 N LYS A 42 -13.015 0.663 1.468 1.00 0.00 N ATOM 686 CA LYS A 42 -14.460 0.859 1.491 1.00 0.00 C ATOM 687 C LYS A 42 -14.804 2.304 1.147 1.00 0.00 C ATOM 688 O LYS A 42 -14.144 3.238 1.605 1.00 0.00 O ATOM 689 CB LYS A 42 -15.028 0.486 2.863 1.00 0.00 C ATOM 690 CG LYS A 42 -16.503 0.821 3.029 1.00 0.00 C ATOM 691 CD LYS A 42 -16.962 0.619 4.463 1.00 0.00 C ATOM 692 CE LYS A 42 -16.199 1.517 5.426 1.00 0.00 C ATOM 693 NZ LYS A 42 -16.799 1.507 6.788 1.00 0.00 N ATOM 0 H LYS A 42 -12.521 1.084 2.255 1.00 0.00 H new ATOM 0 HA LYS A 42 -14.911 0.208 0.742 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.887 -0.583 3.026 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.458 1.004 3.635 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -16.678 1.855 2.732 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -17.097 0.194 2.364 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -18.029 0.828 4.537 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.821 -0.424 4.748 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.161 1.188 5.484 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -16.189 2.537 5.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.112 1.883 7.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -17.654 2.099 6.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -17.050 0.532 7.049 1.00 0.00 H new ATOM 707 N VAL A 43 -15.842 2.480 0.334 1.00 0.00 N ATOM 708 CA VAL A 43 -16.275 3.808 -0.078 1.00 0.00 C ATOM 709 C VAL A 43 -17.693 4.101 0.402 1.00 0.00 C ATOM 710 O VAL A 43 -18.643 3.423 0.012 1.00 0.00 O ATOM 711 CB VAL A 43 -16.219 3.967 -1.609 1.00 0.00 C ATOM 712 CG1 VAL A 43 -16.556 5.394 -2.017 1.00 0.00 C ATOM 713 CG2 VAL A 43 -14.850 3.565 -2.137 1.00 0.00 C ATOM 0 H VAL A 43 -16.398 1.717 -0.052 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.587 4.519 0.379 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.965 3.305 -2.049 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -16.510 5.483 -3.102 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -17.561 5.643 -1.675 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -15.839 6.080 -1.566 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -14.829 3.684 -3.220 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -14.086 4.199 -1.687 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.653 2.524 -1.882 1.00 0.00 H new ATOM 723 N GLU A 44 -17.824 5.118 1.246 1.00 0.00 N ATOM 724 CA GLU A 44 -19.122 5.510 1.776 1.00 0.00 C ATOM 725 C GLU A 44 -19.274 7.027 1.759 1.00 0.00 C ATOM 726 O GLU A 44 -18.287 7.761 1.820 1.00 0.00 O ATOM 727 CB GLU A 44 -19.308 4.977 3.199 1.00 0.00 C ATOM 728 CG GLU A 44 -18.066 5.103 4.063 1.00 0.00 C ATOM 729 CD GLU A 44 -18.262 4.523 5.451 1.00 0.00 C ATOM 730 OE1 GLU A 44 -19.044 3.559 5.587 1.00 0.00 O ATOM 731 OE2 GLU A 44 -17.631 5.032 6.401 1.00 0.00 O ATOM 0 H GLU A 44 -17.045 5.686 1.578 1.00 0.00 H new ATOM 0 HA GLU A 44 -19.893 5.076 1.139 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -20.128 5.515 3.675 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -19.601 3.928 3.150 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -17.235 4.595 3.575 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -17.791 6.154 4.148 1.00 0.00 H new ATOM 738 N LYS A 45 -20.515 7.491 1.667 1.00 0.00 N ATOM 739 CA LYS A 45 -20.805 8.921 1.632 1.00 0.00 C ATOM 740 C LYS A 45 -20.197 9.657 2.827 1.00 0.00 C ATOM 741 O LYS A 45 -20.065 10.881 2.803 1.00 0.00 O ATOM 742 CB LYS A 45 -22.316 9.151 1.597 1.00 0.00 C ATOM 743 CG LYS A 45 -22.711 10.522 1.069 1.00 0.00 C ATOM 744 CD LYS A 45 -23.188 11.436 2.187 1.00 0.00 C ATOM 745 CE LYS A 45 -24.365 12.290 1.744 1.00 0.00 C ATOM 746 NZ LYS A 45 -25.646 11.533 1.782 1.00 0.00 N ATOM 0 H LYS A 45 -21.341 6.895 1.615 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.351 9.324 0.727 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -22.778 8.384 0.975 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -22.717 9.029 2.603 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -21.859 10.978 0.564 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -23.501 10.413 0.326 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -23.477 10.837 3.050 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -22.369 12.081 2.506 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -24.441 13.165 2.389 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -24.189 12.654 0.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -26.424 12.151 1.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -25.583 10.712 1.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -25.828 11.207 2.753 1.00 0.00 H new ATOM 760 N VAL A 46 -19.833 8.918 3.873 1.00 0.00 N ATOM 761 CA VAL A 46 -19.249 9.530 5.066 1.00 0.00 C ATOM 762 C VAL A 46 -17.727 9.644 4.958 1.00 0.00 C ATOM 763 O VAL A 46 -17.204 10.689 4.567 1.00 0.00 O ATOM 764 CB VAL A 46 -19.616 8.766 6.362 1.00 0.00 C ATOM 765 CG1 VAL A 46 -20.814 9.412 7.038 1.00 0.00 C ATOM 766 CG2 VAL A 46 -19.888 7.297 6.082 1.00 0.00 C ATOM 0 H VAL A 46 -19.931 7.904 3.920 1.00 0.00 H new ATOM 0 HA VAL A 46 -19.677 10.531 5.125 1.00 0.00 H new ATOM 0 HB VAL A 46 -18.761 8.822 7.036 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -21.059 8.863 7.947 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -20.576 10.445 7.291 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -21.668 9.392 6.361 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -20.143 6.790 7.013 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -20.718 7.208 5.381 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -18.998 6.838 5.651 1.00 0.00 H new ATOM 776 N THR A 47 -17.017 8.575 5.314 1.00 0.00 N ATOM 777 CA THR A 47 -15.558 8.576 5.257 1.00 0.00 C ATOM 778 C THR A 47 -15.025 7.362 4.501 1.00 0.00 C ATOM 779 O THR A 47 -15.659 6.310 4.465 1.00 0.00 O ATOM 780 CB THR A 47 -14.976 8.600 6.672 1.00 0.00 C ATOM 781 OG1 THR A 47 -15.662 9.541 7.479 1.00 0.00 O ATOM 782 CG2 THR A 47 -13.505 8.950 6.708 1.00 0.00 C ATOM 0 H THR A 47 -17.427 7.701 5.643 1.00 0.00 H new ATOM 0 HA THR A 47 -15.248 9.472 4.719 1.00 0.00 H new ATOM 0 HB THR A 47 -15.100 7.587 7.054 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.277 9.541 8.380 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.156 8.949 7.741 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.942 8.214 6.134 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.356 9.939 6.275 1.00 0.00 H new ATOM 790 N HIS A 48 -13.844 7.515 3.906 1.00 0.00 N ATOM 791 CA HIS A 48 -13.216 6.429 3.162 1.00 0.00 C ATOM 792 C HIS A 48 -12.244 5.665 4.057 1.00 0.00 C ATOM 793 O HIS A 48 -11.499 6.266 4.830 1.00 0.00 O ATOM 794 CB HIS A 48 -12.479 6.978 1.939 1.00 0.00 C ATOM 795 CG HIS A 48 -13.384 7.628 0.938 1.00 0.00 C ATOM 796 ND1 HIS A 48 -13.334 7.354 -0.413 1.00 0.00 N ATOM 797 CD2 HIS A 48 -14.367 8.547 1.098 1.00 0.00 C ATOM 798 CE1 HIS A 48 -14.246 8.076 -1.040 1.00 0.00 C ATOM 799 NE2 HIS A 48 -14.887 8.806 -0.147 1.00 0.00 N ATOM 0 H HIS A 48 -13.304 8.380 3.925 1.00 0.00 H new ATOM 0 HA HIS A 48 -13.996 5.746 2.825 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -11.735 7.703 2.268 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -11.939 6.164 1.454 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -14.683 8.992 2.030 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -14.435 8.070 -2.103 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -15.646 9.457 -0.348 1.00 0.00 H new ATOM 808 N THR A 49 -12.261 4.339 3.958 1.00 0.00 N ATOM 809 CA THR A 49 -11.380 3.509 4.775 1.00 0.00 C ATOM 810 C THR A 49 -10.641 2.472 3.934 1.00 0.00 C ATOM 811 O THR A 49 -11.232 1.803 3.089 1.00 0.00 O ATOM 812 CB THR A 49 -12.183 2.810 5.873 1.00 0.00 C ATOM 813 OG1 THR A 49 -12.953 3.747 6.606 1.00 0.00 O ATOM 814 CG2 THR A 49 -11.317 2.055 6.859 1.00 0.00 C ATOM 0 H THR A 49 -12.870 3.819 3.326 1.00 0.00 H new ATOM 0 HA THR A 49 -10.637 4.165 5.228 1.00 0.00 H new ATOM 0 HB THR A 49 -12.821 2.096 5.353 1.00 0.00 H new ATOM 0 HG1 THR A 49 -13.461 3.280 7.302 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.949 1.583 7.611 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.747 1.290 6.332 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.630 2.748 7.345 1.00 0.00 H new ATOM 822 N SER A 50 -9.343 2.346 4.184 1.00 0.00 N ATOM 823 CA SER A 50 -8.508 1.390 3.465 1.00 0.00 C ATOM 824 C SER A 50 -7.614 0.623 4.436 1.00 0.00 C ATOM 825 O SER A 50 -7.195 1.160 5.461 1.00 0.00 O ATOM 826 CB SER A 50 -7.650 2.109 2.422 1.00 0.00 C ATOM 827 OG SER A 50 -6.776 3.041 3.036 1.00 0.00 O ATOM 0 H SER A 50 -8.844 2.897 4.883 1.00 0.00 H new ATOM 0 HA SER A 50 -9.161 0.681 2.956 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.070 1.379 1.858 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.294 2.624 1.709 1.00 0.00 H new ATOM 0 HG SER A 50 -5.853 2.850 2.767 1.00 0.00 H new ATOM 833 N ASP A 51 -7.325 -0.634 4.109 1.00 0.00 N ATOM 834 CA ASP A 51 -6.482 -1.468 4.959 1.00 0.00 C ATOM 835 C ASP A 51 -5.476 -2.252 4.123 1.00 0.00 C ATOM 836 O ASP A 51 -5.776 -2.665 3.004 1.00 0.00 O ATOM 837 CB ASP A 51 -7.342 -2.428 5.784 1.00 0.00 C ATOM 838 CG ASP A 51 -8.127 -3.396 4.920 1.00 0.00 C ATOM 839 OD1 ASP A 51 -7.507 -4.079 4.078 1.00 0.00 O ATOM 840 OD2 ASP A 51 -9.362 -3.471 5.086 1.00 0.00 O ATOM 0 H ASP A 51 -7.661 -1.096 3.264 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.932 -0.815 5.637 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.702 -2.990 6.464 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.034 -1.853 6.400 1.00 0.00 H new ATOM 845 N ALA A 52 -4.281 -2.454 4.671 1.00 0.00 N ATOM 846 CA ALA A 52 -3.238 -3.189 3.967 1.00 0.00 C ATOM 847 C ALA A 52 -2.451 -4.087 4.917 1.00 0.00 C ATOM 848 O ALA A 52 -1.705 -3.607 5.771 1.00 0.00 O ATOM 849 CB ALA A 52 -2.302 -2.224 3.253 1.00 0.00 C ATOM 0 H ALA A 52 -4.013 -2.120 5.597 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.720 -3.828 3.227 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.528 -2.787 2.731 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.868 -1.633 2.533 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.838 -1.560 3.983 1.00 0.00 H new ATOM 855 N THR A 53 -2.623 -5.395 4.755 1.00 0.00 N ATOM 856 CA THR A 53 -1.928 -6.369 5.589 1.00 0.00 C ATOM 857 C THR A 53 -0.794 -7.027 4.810 1.00 0.00 C ATOM 858 O THR A 53 -1.033 -7.774 3.861 1.00 0.00 O ATOM 859 CB THR A 53 -2.904 -7.433 6.087 1.00 0.00 C ATOM 860 OG1 THR A 53 -4.126 -6.843 6.495 1.00 0.00 O ATOM 861 CG2 THR A 53 -2.371 -8.236 7.255 1.00 0.00 C ATOM 0 H THR A 53 -3.239 -5.805 4.053 1.00 0.00 H new ATOM 0 HA THR A 53 -1.506 -5.847 6.448 1.00 0.00 H new ATOM 0 HB THR A 53 -3.052 -8.105 5.242 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.831 -7.524 6.503 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.114 -8.973 7.559 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.454 -8.745 6.958 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.161 -7.568 8.090 1.00 0.00 H new ATOM 869 N LEU A 54 0.440 -6.740 5.210 1.00 0.00 N ATOM 870 CA LEU A 54 1.608 -7.302 4.540 1.00 0.00 C ATOM 871 C LEU A 54 2.169 -8.494 5.311 1.00 0.00 C ATOM 872 O LEU A 54 2.132 -8.526 6.540 1.00 0.00 O ATOM 873 CB LEU A 54 2.690 -6.231 4.375 1.00 0.00 C ATOM 874 CG LEU A 54 2.437 -5.222 3.252 1.00 0.00 C ATOM 875 CD1 LEU A 54 1.058 -4.596 3.395 1.00 0.00 C ATOM 876 CD2 LEU A 54 3.515 -4.148 3.252 1.00 0.00 C ATOM 0 H LEU A 54 0.658 -6.123 5.993 1.00 0.00 H new ATOM 0 HA LEU A 54 1.294 -7.651 3.556 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.789 -5.688 5.315 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.644 -6.725 4.191 1.00 0.00 H new ATOM 0 HG LEU A 54 2.475 -5.750 2.299 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.897 -3.882 2.588 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.298 -5.376 3.347 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.990 -4.081 4.353 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.321 -3.438 2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.507 -3.624 4.208 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.490 -4.611 3.100 1.00 0.00 H new ATOM 888 N HIS A 55 2.690 -9.469 4.574 1.00 0.00 N ATOM 889 CA HIS A 55 3.261 -10.665 5.181 1.00 0.00 C ATOM 890 C HIS A 55 4.767 -10.512 5.368 1.00 0.00 C ATOM 891 O HIS A 55 5.487 -10.157 4.436 1.00 0.00 O ATOM 892 CB HIS A 55 2.967 -11.894 4.317 1.00 0.00 C ATOM 893 CG HIS A 55 1.632 -12.514 4.594 1.00 0.00 C ATOM 894 ND1 HIS A 55 1.477 -13.843 4.932 1.00 0.00 N ATOM 895 CD2 HIS A 55 0.388 -11.982 4.584 1.00 0.00 C ATOM 896 CE1 HIS A 55 0.193 -14.099 5.116 1.00 0.00 C ATOM 897 NE2 HIS A 55 -0.487 -12.988 4.912 1.00 0.00 N ATOM 0 H HIS A 55 2.729 -9.454 3.555 1.00 0.00 H new ATOM 0 HA HIS A 55 2.801 -10.800 6.160 1.00 0.00 H new ATOM 0 HB2 HIS A 55 3.015 -11.609 3.266 1.00 0.00 H new ATOM 0 HB3 HIS A 55 3.746 -12.639 4.482 1.00 0.00 H new ATOM 0 HD1 HIS A 55 2.234 -14.521 5.025 1.00 0.00 H new ATOM 0 HD2 HIS A 55 0.131 -10.957 4.360 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -0.228 -15.056 5.387 1.00 0.00 H new ATOM 906 N VAL A 56 5.237 -10.783 6.583 1.00 0.00 N ATOM 907 CA VAL A 56 6.659 -10.676 6.896 1.00 0.00 C ATOM 908 C VAL A 56 7.295 -12.057 7.010 1.00 0.00 C ATOM 909 O VAL A 56 6.595 -13.067 7.094 1.00 0.00 O ATOM 910 CB VAL A 56 6.893 -9.903 8.211 1.00 0.00 C ATOM 911 CG1 VAL A 56 8.320 -9.386 8.281 1.00 0.00 C ATOM 912 CG2 VAL A 56 5.899 -8.757 8.349 1.00 0.00 C ATOM 0 H VAL A 56 4.654 -11.078 7.366 1.00 0.00 H new ATOM 0 HA VAL A 56 7.124 -10.127 6.078 1.00 0.00 H new ATOM 0 HB VAL A 56 6.736 -10.590 9.042 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.465 -8.844 9.215 1.00 0.00 H new ATOM 0 HG12 VAL A 56 9.014 -10.226 8.237 1.00 0.00 H new ATOM 0 HG13 VAL A 56 8.506 -8.717 7.441 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.083 -8.226 9.283 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.018 -8.069 7.512 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.884 -9.154 8.351 1.00 0.00 H new ATOM 922 N ASN A 57 8.626 -12.098 7.011 1.00 0.00 N ATOM 923 CA ASN A 57 9.356 -13.359 7.115 1.00 0.00 C ATOM 924 C ASN A 57 8.789 -14.238 8.227 1.00 0.00 C ATOM 925 O ASN A 57 8.151 -15.257 7.961 1.00 0.00 O ATOM 926 CB ASN A 57 10.841 -13.093 7.371 1.00 0.00 C ATOM 927 CG ASN A 57 11.614 -12.848 6.089 1.00 0.00 C ATOM 928 OD1 ASN A 57 11.328 -13.450 5.054 1.00 0.00 O ATOM 929 ND2 ASN A 57 12.600 -11.961 6.153 1.00 0.00 N ATOM 0 H ASN A 57 9.221 -11.272 6.941 1.00 0.00 H new ATOM 0 HA ASN A 57 9.242 -13.888 6.169 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.945 -12.228 8.026 1.00 0.00 H new ATOM 0 HB3 ASN A 57 11.274 -13.944 7.896 1.00 0.00 H new ATOM 0 HD21 ASN A 57 13.155 -11.755 5.323 1.00 0.00 H new ATOM 0 HD22 ASN A 57 12.802 -11.485 7.032 1.00 0.00 H new ATOM 936 N GLY A 58 9.018 -13.833 9.472 1.00 0.00 N ATOM 937 CA GLY A 58 8.517 -14.594 10.602 1.00 0.00 C ATOM 938 C GLY A 58 7.399 -13.874 11.328 1.00 0.00 C ATOM 939 O GLY A 58 7.229 -14.032 12.538 1.00 0.00 O ATOM 0 H GLY A 58 9.541 -12.993 9.719 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.157 -15.562 10.255 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.333 -14.788 11.298 1.00 0.00 H new ATOM 943 N GLY A 59 6.633 -13.080 10.586 1.00 0.00 N ATOM 944 CA GLY A 59 5.533 -12.343 11.179 1.00 0.00 C ATOM 945 C GLY A 59 4.626 -11.720 10.135 1.00 0.00 C ATOM 946 O GLY A 59 4.886 -11.827 8.936 1.00 0.00 O ATOM 0 H GLY A 59 6.755 -12.934 9.584 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.949 -13.012 11.811 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.930 -11.560 11.825 1.00 0.00 H new ATOM 950 N GLU A 60 3.560 -11.071 10.588 1.00 0.00 N ATOM 951 CA GLU A 60 2.615 -10.429 9.682 1.00 0.00 C ATOM 952 C GLU A 60 2.142 -9.090 10.240 1.00 0.00 C ATOM 953 O GLU A 60 1.695 -9.008 11.383 1.00 0.00 O ATOM 954 CB GLU A 60 1.414 -11.346 9.436 1.00 0.00 C ATOM 955 CG GLU A 60 1.649 -12.375 8.343 1.00 0.00 C ATOM 956 CD GLU A 60 0.786 -13.610 8.511 1.00 0.00 C ATOM 957 OE1 GLU A 60 1.167 -14.497 9.303 1.00 0.00 O ATOM 958 OE2 GLU A 60 -0.271 -13.690 7.850 1.00 0.00 O ATOM 0 H GLU A 60 3.328 -10.975 11.577 1.00 0.00 H new ATOM 0 HA GLU A 60 3.126 -10.244 8.737 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.166 -11.863 10.363 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.550 -10.736 9.170 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.444 -11.922 7.373 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.699 -12.667 8.344 1.00 0.00 H new ATOM 965 N ILE A 61 2.241 -8.046 9.425 1.00 0.00 N ATOM 966 CA ILE A 61 1.820 -6.713 9.836 1.00 0.00 C ATOM 967 C ILE A 61 0.461 -6.365 9.239 1.00 0.00 C ATOM 968 O ILE A 61 0.174 -6.703 8.090 1.00 0.00 O ATOM 969 CB ILE A 61 2.844 -5.642 9.412 1.00 0.00 C ATOM 970 CG1 ILE A 61 4.255 -6.054 9.834 1.00 0.00 C ATOM 971 CG2 ILE A 61 2.480 -4.291 10.010 1.00 0.00 C ATOM 972 CD1 ILE A 61 5.347 -5.419 8.999 1.00 0.00 C ATOM 0 H ILE A 61 2.609 -8.098 8.475 1.00 0.00 H new ATOM 0 HA ILE A 61 1.749 -6.723 10.924 1.00 0.00 H new ATOM 0 HB ILE A 61 2.822 -5.554 8.326 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.406 -5.785 10.879 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.343 -7.138 9.768 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.214 -3.547 9.700 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.491 -3.993 9.661 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.474 -4.364 11.098 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.320 -5.757 9.355 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.222 -5.709 7.956 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.286 -4.334 9.084 1.00 0.00 H new ATOM 984 N HIS A 62 -0.372 -5.684 10.021 1.00 0.00 N ATOM 985 CA HIS A 62 -1.697 -5.286 9.563 1.00 0.00 C ATOM 986 C HIS A 62 -1.973 -3.825 9.905 1.00 0.00 C ATOM 987 O HIS A 62 -2.101 -3.465 11.075 1.00 0.00 O ATOM 988 CB HIS A 62 -2.767 -6.180 10.192 1.00 0.00 C ATOM 989 CG HIS A 62 -4.085 -6.124 9.484 1.00 0.00 C ATOM 990 ND1 HIS A 62 -5.050 -7.100 9.613 1.00 0.00 N ATOM 991 CD2 HIS A 62 -4.597 -5.200 8.637 1.00 0.00 C ATOM 992 CE1 HIS A 62 -6.099 -6.780 8.875 1.00 0.00 C ATOM 993 NE2 HIS A 62 -5.848 -5.632 8.273 1.00 0.00 N ATOM 0 H HIS A 62 -0.152 -5.397 10.975 1.00 0.00 H new ATOM 0 HA HIS A 62 -1.730 -5.400 8.479 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.411 -7.210 10.198 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -2.909 -5.886 11.232 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -4.112 -4.293 8.309 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -7.006 -7.359 8.781 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -6.482 -5.145 7.639 1.00 0.00 H new ATOM 1002 N ALA A 63 -2.065 -2.986 8.879 1.00 0.00 N ATOM 1003 CA ALA A 63 -2.329 -1.566 9.078 1.00 0.00 C ATOM 1004 C ALA A 63 -3.614 -1.147 8.374 1.00 0.00 C ATOM 1005 O ALA A 63 -3.969 -1.701 7.334 1.00 0.00 O ATOM 1006 CB ALA A 63 -1.157 -0.736 8.578 1.00 0.00 C ATOM 0 H ALA A 63 -1.961 -3.264 7.903 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.454 -1.389 10.146 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.368 0.322 8.733 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.256 -1.011 9.127 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -1.005 -0.924 7.515 1.00 0.00 H new ATOM 1012 N SER A 64 -4.301 -0.156 8.934 1.00 0.00 N ATOM 1013 CA SER A 64 -5.535 0.354 8.351 1.00 0.00 C ATOM 1014 C SER A 64 -5.595 1.867 8.529 1.00 0.00 C ATOM 1015 O SER A 64 -5.448 2.369 9.643 1.00 0.00 O ATOM 1016 CB SER A 64 -6.749 -0.305 9.005 1.00 0.00 C ATOM 1017 OG SER A 64 -6.809 -0.007 10.389 1.00 0.00 O ATOM 0 H SER A 64 -4.021 0.312 9.796 1.00 0.00 H new ATOM 0 HA SER A 64 -5.550 0.116 7.287 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.660 0.039 8.516 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.700 -1.385 8.864 1.00 0.00 H new ATOM 0 HG SER A 64 -6.298 0.809 10.570 1.00 0.00 H new ATOM 1023 N ALA A 65 -5.796 2.597 7.438 1.00 0.00 N ATOM 1024 CA ALA A 65 -5.851 4.052 7.513 1.00 0.00 C ATOM 1025 C ALA A 65 -6.983 4.633 6.673 1.00 0.00 C ATOM 1026 O ALA A 65 -7.599 3.940 5.862 1.00 0.00 O ATOM 1027 CB ALA A 65 -4.520 4.649 7.083 1.00 0.00 C ATOM 0 H ALA A 65 -5.922 2.212 6.502 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.051 4.315 8.552 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.573 5.736 7.143 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.730 4.287 7.740 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.303 4.352 6.057 1.00 0.00 H new ATOM 1033 N GLU A 66 -7.239 5.920 6.879 1.00 0.00 N ATOM 1034 CA GLU A 66 -8.283 6.636 6.157 1.00 0.00 C ATOM 1035 C GLU A 66 -7.878 8.095 5.972 1.00 0.00 C ATOM 1036 O GLU A 66 -6.926 8.563 6.597 1.00 0.00 O ATOM 1037 CB GLU A 66 -9.610 6.551 6.912 1.00 0.00 C ATOM 1038 CG GLU A 66 -9.490 6.875 8.391 1.00 0.00 C ATOM 1039 CD GLU A 66 -10.035 8.248 8.734 1.00 0.00 C ATOM 1040 OE1 GLU A 66 -9.308 9.243 8.534 1.00 0.00 O ATOM 1041 OE2 GLU A 66 -11.190 8.328 9.202 1.00 0.00 O ATOM 0 H GLU A 66 -6.730 6.495 7.550 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.412 6.174 5.178 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.323 7.237 6.455 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.018 5.546 6.801 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.025 6.121 8.969 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.443 6.820 8.687 1.00 0.00 H new ATOM 1048 N GLY A 67 -8.594 8.812 5.113 1.00 0.00 N ATOM 1049 CA GLY A 67 -8.268 10.208 4.880 1.00 0.00 C ATOM 1050 C GLY A 67 -9.452 11.026 4.408 1.00 0.00 C ATOM 1051 O GLY A 67 -9.893 11.945 5.099 1.00 0.00 O ATOM 0 H GLY A 67 -9.387 8.457 4.578 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.879 10.642 5.801 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.473 10.270 4.137 1.00 0.00 H new ATOM 1055 N GLN A 68 -9.967 10.696 3.228 1.00 0.00 N ATOM 1056 CA GLN A 68 -11.105 11.419 2.665 1.00 0.00 C ATOM 1057 C GLN A 68 -11.552 10.831 1.324 1.00 0.00 C ATOM 1058 O GLN A 68 -12.688 11.041 0.901 1.00 0.00 O ATOM 1059 CB GLN A 68 -10.756 12.898 2.482 1.00 0.00 C ATOM 1060 CG GLN A 68 -11.944 13.759 2.087 1.00 0.00 C ATOM 1061 CD GLN A 68 -12.953 13.911 3.208 1.00 0.00 C ATOM 1062 OE1 GLN A 68 -12.820 13.296 4.266 1.00 0.00 O ATOM 1063 NE2 GLN A 68 -13.972 14.732 2.979 1.00 0.00 N ATOM 0 H GLN A 68 -9.617 9.936 2.644 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.931 11.318 3.370 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.334 13.281 3.411 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.983 12.989 1.719 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.589 14.745 1.786 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.435 13.318 1.219 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.042 15.221 2.087 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.684 14.873 3.695 1.00 0.00 H new ATOM 1072 N ASP A 69 -10.665 10.092 0.658 1.00 0.00 N ATOM 1073 CA ASP A 69 -10.992 9.483 -0.625 1.00 0.00 C ATOM 1074 C ASP A 69 -10.287 8.139 -0.774 1.00 0.00 C ATOM 1075 O ASP A 69 -9.512 7.735 0.093 1.00 0.00 O ATOM 1076 CB ASP A 69 -10.597 10.413 -1.775 1.00 0.00 C ATOM 1077 CG ASP A 69 -9.220 11.019 -1.583 1.00 0.00 C ATOM 1078 OD1 ASP A 69 -9.122 12.079 -0.930 1.00 0.00 O ATOM 1079 OD2 ASP A 69 -8.240 10.432 -2.086 1.00 0.00 O ATOM 0 H ASP A 69 -9.718 9.903 0.987 1.00 0.00 H new ATOM 0 HA ASP A 69 -12.069 9.319 -0.661 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -10.618 9.857 -2.712 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -11.333 11.212 -1.862 1.00 0.00 H new ATOM 1084 N MET A 70 -10.560 7.447 -1.875 1.00 0.00 N ATOM 1085 CA MET A 70 -9.951 6.147 -2.130 1.00 0.00 C ATOM 1086 C MET A 70 -8.439 6.267 -2.304 1.00 0.00 C ATOM 1087 O MET A 70 -7.707 5.291 -2.136 1.00 0.00 O ATOM 1088 CB MET A 70 -10.569 5.507 -3.374 1.00 0.00 C ATOM 1089 CG MET A 70 -10.371 4.002 -3.448 1.00 0.00 C ATOM 1090 SD MET A 70 -11.784 3.081 -2.814 1.00 0.00 S ATOM 1091 CE MET A 70 -11.938 3.782 -1.172 1.00 0.00 C ATOM 0 H MET A 70 -11.198 7.764 -2.604 1.00 0.00 H new ATOM 0 HA MET A 70 -10.145 5.513 -1.265 1.00 0.00 H new ATOM 0 HB2 MET A 70 -11.637 5.726 -3.392 1.00 0.00 H new ATOM 0 HB3 MET A 70 -10.135 5.966 -4.262 1.00 0.00 H new ATOM 0 HG2 MET A 70 -10.190 3.714 -4.484 1.00 0.00 H new ATOM 0 HG3 MET A 70 -9.481 3.729 -2.881 1.00 0.00 H new ATOM 0 HE1 MET A 70 -12.664 3.206 -0.597 1.00 0.00 H new ATOM 0 HE2 MET A 70 -10.971 3.750 -0.671 1.00 0.00 H new ATOM 0 HE3 MET A 70 -12.273 4.816 -1.248 1.00 0.00 H new ATOM 1101 N TYR A 71 -7.972 7.466 -2.643 1.00 0.00 N ATOM 1102 CA TYR A 71 -6.546 7.702 -2.837 1.00 0.00 C ATOM 1103 C TYR A 71 -5.877 8.139 -1.537 1.00 0.00 C ATOM 1104 O TYR A 71 -4.742 7.755 -1.251 1.00 0.00 O ATOM 1105 CB TYR A 71 -6.325 8.766 -3.916 1.00 0.00 C ATOM 1106 CG TYR A 71 -6.927 8.401 -5.256 1.00 0.00 C ATOM 1107 CD1 TYR A 71 -6.496 7.278 -5.949 1.00 0.00 C ATOM 1108 CD2 TYR A 71 -7.922 9.183 -5.826 1.00 0.00 C ATOM 1109 CE1 TYR A 71 -7.042 6.942 -7.173 1.00 0.00 C ATOM 1110 CE2 TYR A 71 -8.474 8.855 -7.051 1.00 0.00 C ATOM 1111 CZ TYR A 71 -8.031 7.735 -7.720 1.00 0.00 C ATOM 1112 OH TYR A 71 -8.576 7.404 -8.938 1.00 0.00 O ATOM 0 H TYR A 71 -8.560 8.287 -2.789 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.094 6.764 -3.158 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -6.755 9.709 -3.578 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.254 8.930 -4.040 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.721 6.657 -5.524 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -8.271 10.062 -5.304 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -6.697 6.064 -7.699 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -9.248 9.473 -7.481 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.259 8.063 -9.181 1.00 0.00 H new ATOM 1122 N ALA A 72 -6.586 8.946 -0.755 1.00 0.00 N ATOM 1123 CA ALA A 72 -6.059 9.440 0.514 1.00 0.00 C ATOM 1124 C ALA A 72 -5.831 8.303 1.503 1.00 0.00 C ATOM 1125 O ALA A 72 -4.774 8.215 2.130 1.00 0.00 O ATOM 1126 CB ALA A 72 -7.005 10.474 1.106 1.00 0.00 C ATOM 0 H ALA A 72 -7.527 9.272 -0.977 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.094 9.909 0.318 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.603 10.836 2.052 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.111 11.309 0.414 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.981 10.019 1.277 1.00 0.00 H new ATOM 1132 N ALA A 73 -6.829 7.436 1.643 1.00 0.00 N ATOM 1133 CA ALA A 73 -6.739 6.304 2.562 1.00 0.00 C ATOM 1134 C ALA A 73 -5.486 5.473 2.302 1.00 0.00 C ATOM 1135 O ALA A 73 -4.861 4.964 3.233 1.00 0.00 O ATOM 1136 CB ALA A 73 -7.982 5.436 2.448 1.00 0.00 C ATOM 0 H ALA A 73 -7.710 7.495 1.132 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.672 6.699 3.576 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.903 4.596 3.138 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.863 6.028 2.696 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.072 5.061 1.428 1.00 0.00 H new ATOM 1142 N ILE A 74 -5.122 5.341 1.030 1.00 0.00 N ATOM 1143 CA ILE A 74 -3.943 4.570 0.652 1.00 0.00 C ATOM 1144 C ILE A 74 -2.664 5.365 0.903 1.00 0.00 C ATOM 1145 O ILE A 74 -1.605 4.788 1.134 1.00 0.00 O ATOM 1146 CB ILE A 74 -3.997 4.141 -0.828 1.00 0.00 C ATOM 1147 CG1 ILE A 74 -5.218 3.255 -1.078 1.00 0.00 C ATOM 1148 CG2 ILE A 74 -2.721 3.406 -1.221 1.00 0.00 C ATOM 1149 CD1 ILE A 74 -5.212 1.978 -0.268 1.00 0.00 C ATOM 0 H ILE A 74 -5.625 5.757 0.246 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.936 3.675 1.274 1.00 0.00 H new ATOM 0 HB ILE A 74 -4.081 5.037 -1.444 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.121 3.820 -0.845 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -5.264 3.004 -2.138 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.779 3.112 -2.269 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.863 4.063 -1.075 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.607 2.517 -0.600 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.107 1.399 -0.495 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.327 1.392 -0.518 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.197 2.221 0.794 1.00 0.00 H new ATOM 1161 N ASP A 75 -2.767 6.689 0.852 1.00 0.00 N ATOM 1162 CA ASP A 75 -1.611 7.550 1.074 1.00 0.00 C ATOM 1163 C ASP A 75 -1.135 7.458 2.522 1.00 0.00 C ATOM 1164 O ASP A 75 0.024 7.131 2.788 1.00 0.00 O ATOM 1165 CB ASP A 75 -1.954 9.001 0.727 1.00 0.00 C ATOM 1166 CG ASP A 75 -0.868 9.672 -0.091 1.00 0.00 C ATOM 1167 OD1 ASP A 75 -0.924 9.586 -1.336 1.00 0.00 O ATOM 1168 OD2 ASP A 75 0.039 10.282 0.513 1.00 0.00 O ATOM 0 H ASP A 75 -3.636 7.188 0.660 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.805 7.210 0.423 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.892 9.027 0.172 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -2.112 9.564 1.647 1.00 0.00 H new ATOM 1173 N GLY A 76 -2.037 7.745 3.454 1.00 0.00 N ATOM 1174 CA GLY A 76 -1.691 7.687 4.863 1.00 0.00 C ATOM 1175 C GLY A 76 -1.388 6.276 5.326 1.00 0.00 C ATOM 1176 O GLY A 76 -0.538 6.069 6.191 1.00 0.00 O ATOM 0 H GLY A 76 -3.001 8.017 3.260 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.824 8.321 5.048 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.513 8.091 5.453 1.00 0.00 H new ATOM 1180 N LEU A 77 -2.087 5.304 4.748 1.00 0.00 N ATOM 1181 CA LEU A 77 -1.891 3.905 5.108 1.00 0.00 C ATOM 1182 C LEU A 77 -0.570 3.375 4.554 1.00 0.00 C ATOM 1183 O LEU A 77 0.215 2.763 5.276 1.00 0.00 O ATOM 1184 CB LEU A 77 -3.051 3.057 4.584 1.00 0.00 C ATOM 1185 CG LEU A 77 -2.984 1.569 4.934 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -2.737 1.378 6.424 1.00 0.00 C ATOM 1187 CD2 LEU A 77 -4.265 0.867 4.512 1.00 0.00 C ATOM 0 H LEU A 77 -2.794 5.460 4.029 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.859 3.839 6.196 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.983 3.464 4.976 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.091 3.157 3.499 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.150 1.125 4.390 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.693 0.313 6.652 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.793 1.848 6.699 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.549 1.837 6.989 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.202 -0.191 4.768 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.113 1.315 5.030 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.400 0.972 3.436 1.00 0.00 H new ATOM 1199 N ILE A 78 -0.331 3.623 3.271 1.00 0.00 N ATOM 1200 CA ILE A 78 0.895 3.172 2.621 1.00 0.00 C ATOM 1201 C ILE A 78 2.123 3.867 3.209 1.00 0.00 C ATOM 1202 O ILE A 78 3.246 3.379 3.077 1.00 0.00 O ATOM 1203 CB ILE A 78 0.845 3.413 1.095 1.00 0.00 C ATOM 1204 CG1 ILE A 78 1.879 2.538 0.384 1.00 0.00 C ATOM 1205 CG2 ILE A 78 1.071 4.884 0.766 1.00 0.00 C ATOM 1206 CD1 ILE A 78 1.326 1.212 -0.089 1.00 0.00 C ATOM 0 H ILE A 78 -0.969 4.133 2.661 1.00 0.00 H new ATOM 0 HA ILE A 78 0.976 2.101 2.804 1.00 0.00 H new ATOM 0 HB ILE A 78 -0.148 3.138 0.740 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.277 3.083 -0.472 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.714 2.354 1.060 1.00 0.00 H new ATOM 0 HG21 ILE A 78 1.031 5.026 -0.314 1.00 0.00 H new ATOM 0 HG22 ILE A 78 0.296 5.486 1.240 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.048 5.194 1.136 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.114 0.645 -0.584 1.00 0.00 H new ATOM 0 HD12 ILE A 78 0.954 0.647 0.766 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.510 1.387 -0.791 1.00 0.00 H new ATOM 1218 N ASP A 79 1.900 4.997 3.876 1.00 0.00 N ATOM 1219 CA ASP A 79 2.988 5.739 4.497 1.00 0.00 C ATOM 1220 C ASP A 79 3.386 5.079 5.810 1.00 0.00 C ATOM 1221 O ASP A 79 4.568 4.852 6.074 1.00 0.00 O ATOM 1222 CB ASP A 79 2.572 7.191 4.743 1.00 0.00 C ATOM 1223 CG ASP A 79 3.757 8.136 4.767 1.00 0.00 C ATOM 1224 OD1 ASP A 79 4.545 8.074 5.736 1.00 0.00 O ATOM 1225 OD2 ASP A 79 3.898 8.936 3.819 1.00 0.00 O ATOM 0 H ASP A 79 0.978 5.416 3.999 1.00 0.00 H new ATOM 0 HA ASP A 79 3.844 5.733 3.823 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.877 7.504 3.964 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.039 7.258 5.691 1.00 0.00 H new ATOM 1230 N LYS A 80 2.387 4.765 6.628 1.00 0.00 N ATOM 1231 CA LYS A 80 2.623 4.122 7.913 1.00 0.00 C ATOM 1232 C LYS A 80 3.210 2.729 7.717 1.00 0.00 C ATOM 1233 O LYS A 80 4.006 2.260 8.529 1.00 0.00 O ATOM 1234 CB LYS A 80 1.321 4.032 8.711 1.00 0.00 C ATOM 1235 CG LYS A 80 0.666 5.381 8.963 1.00 0.00 C ATOM 1236 CD LYS A 80 -0.786 5.225 9.388 1.00 0.00 C ATOM 1237 CE LYS A 80 -1.571 6.511 9.180 1.00 0.00 C ATOM 1238 NZ LYS A 80 -1.817 7.223 10.464 1.00 0.00 N ATOM 0 H LYS A 80 1.405 4.946 6.422 1.00 0.00 H new ATOM 0 HA LYS A 80 3.338 4.727 8.470 1.00 0.00 H new ATOM 0 HB2 LYS A 80 0.620 3.392 8.175 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.524 3.552 9.668 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.217 5.915 9.737 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.718 5.987 8.058 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.248 4.419 8.817 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.829 4.937 10.438 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.024 7.165 8.501 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.524 6.282 8.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.355 8.094 10.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.361 6.609 11.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.908 7.464 10.907 1.00 0.00 H new ATOM 1252 N LEU A 81 2.814 2.069 6.629 1.00 0.00 N ATOM 1253 CA LEU A 81 3.308 0.732 6.330 1.00 0.00 C ATOM 1254 C LEU A 81 4.799 0.752 6.018 1.00 0.00 C ATOM 1255 O LEU A 81 5.568 -0.015 6.592 1.00 0.00 O ATOM 1256 CB LEU A 81 2.537 0.116 5.163 1.00 0.00 C ATOM 1257 CG LEU A 81 1.255 -0.617 5.562 1.00 0.00 C ATOM 1258 CD1 LEU A 81 0.033 0.091 5.005 1.00 0.00 C ATOM 1259 CD2 LEU A 81 1.296 -2.062 5.089 1.00 0.00 C ATOM 0 H LEU A 81 2.155 2.440 5.944 1.00 0.00 H new ATOM 0 HA LEU A 81 3.151 0.118 7.217 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.283 0.905 4.456 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.191 -0.582 4.641 1.00 0.00 H new ATOM 0 HG LEU A 81 1.185 -0.612 6.650 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.867 -0.448 5.302 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.008 1.108 5.396 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.095 0.123 3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.376 -2.567 5.382 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.394 -2.087 4.004 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.148 -2.569 5.542 1.00 0.00 H new ATOM 1271 N ALA A 82 5.206 1.631 5.108 1.00 0.00 N ATOM 1272 CA ALA A 82 6.614 1.736 4.732 1.00 0.00 C ATOM 1273 C ALA A 82 7.494 1.954 5.960 1.00 0.00 C ATOM 1274 O ALA A 82 8.398 1.166 6.238 1.00 0.00 O ATOM 1275 CB ALA A 82 6.815 2.860 3.729 1.00 0.00 C ATOM 0 H ALA A 82 4.587 2.278 4.619 1.00 0.00 H new ATOM 0 HA ALA A 82 6.910 0.796 4.266 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.869 2.924 3.460 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.224 2.660 2.835 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.496 3.804 4.171 1.00 0.00 H new ATOM 1281 N ARG A 83 7.226 3.034 6.689 1.00 0.00 N ATOM 1282 CA ARG A 83 7.995 3.364 7.886 1.00 0.00 C ATOM 1283 C ARG A 83 8.036 2.191 8.865 1.00 0.00 C ATOM 1284 O ARG A 83 9.020 2.007 9.583 1.00 0.00 O ATOM 1285 CB ARG A 83 7.400 4.597 8.573 1.00 0.00 C ATOM 1286 CG ARG A 83 8.063 5.903 8.160 1.00 0.00 C ATOM 1287 CD ARG A 83 8.824 6.534 9.314 1.00 0.00 C ATOM 1288 NE ARG A 83 10.139 5.923 9.503 1.00 0.00 N ATOM 1289 CZ ARG A 83 11.204 6.212 8.758 1.00 0.00 C ATOM 1290 NH1 ARG A 83 11.116 7.101 7.776 1.00 0.00 N ATOM 1291 NH2 ARG A 83 12.362 5.609 8.997 1.00 0.00 N ATOM 0 H ARG A 83 6.481 3.696 6.472 1.00 0.00 H new ATOM 0 HA ARG A 83 9.017 3.581 7.576 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.336 4.652 8.345 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.489 4.479 9.653 1.00 0.00 H new ATOM 0 HG2 ARG A 83 8.746 5.719 7.331 1.00 0.00 H new ATOM 0 HG3 ARG A 83 7.305 6.598 7.800 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.944 7.601 9.129 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.242 6.433 10.230 1.00 0.00 H new ATOM 0 HE ARG A 83 10.247 5.236 10.249 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.229 7.567 7.588 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.936 7.318 7.209 1.00 0.00 H new ATOM 0 HH21 ARG A 83 12.435 4.925 9.750 1.00 0.00 H new ATOM 0 HH22 ARG A 83 13.179 5.829 8.427 1.00 0.00 H new ATOM 1305 N GLN A 84 6.966 1.404 8.893 1.00 0.00 N ATOM 1306 CA GLN A 84 6.886 0.253 9.789 1.00 0.00 C ATOM 1307 C GLN A 84 7.739 -0.903 9.275 1.00 0.00 C ATOM 1308 O GLN A 84 8.497 -1.513 10.029 1.00 0.00 O ATOM 1309 CB GLN A 84 5.434 -0.200 9.943 1.00 0.00 C ATOM 1310 CG GLN A 84 4.645 0.615 10.956 1.00 0.00 C ATOM 1311 CD GLN A 84 4.686 0.014 12.346 1.00 0.00 C ATOM 1312 OE1 GLN A 84 5.662 0.182 13.080 1.00 0.00 O ATOM 1313 NE2 GLN A 84 3.625 -0.691 12.720 1.00 0.00 N ATOM 0 H GLN A 84 6.142 1.541 8.307 1.00 0.00 H new ATOM 0 HA GLN A 84 7.271 0.558 10.762 1.00 0.00 H new ATOM 0 HB2 GLN A 84 4.938 -0.138 8.974 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.419 -1.248 10.242 1.00 0.00 H new ATOM 0 HG2 GLN A 84 5.044 1.629 10.991 1.00 0.00 H new ATOM 0 HG3 GLN A 84 3.608 0.691 10.627 1.00 0.00 H new ATOM 0 HE21 GLN A 84 2.838 -0.806 12.081 1.00 0.00 H new ATOM 0 HE22 GLN A 84 3.597 -1.118 13.646 1.00 0.00 H new ATOM 1322 N LEU A 85 7.610 -1.196 7.986 1.00 0.00 N ATOM 1323 CA LEU A 85 8.368 -2.277 7.364 1.00 0.00 C ATOM 1324 C LEU A 85 9.867 -2.068 7.551 1.00 0.00 C ATOM 1325 O LEU A 85 10.595 -3.004 7.882 1.00 0.00 O ATOM 1326 CB LEU A 85 8.036 -2.376 5.871 1.00 0.00 C ATOM 1327 CG LEU A 85 6.823 -3.245 5.515 1.00 0.00 C ATOM 1328 CD1 LEU A 85 7.170 -4.722 5.640 1.00 0.00 C ATOM 1329 CD2 LEU A 85 5.624 -2.901 6.390 1.00 0.00 C ATOM 0 H LEU A 85 6.986 -0.699 7.350 1.00 0.00 H new ATOM 0 HA LEU A 85 8.085 -3.210 7.852 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.864 -1.370 5.489 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.908 -2.770 5.349 1.00 0.00 H new ATOM 0 HG LEU A 85 6.553 -3.038 4.480 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.298 -5.324 5.384 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.989 -4.962 4.961 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.472 -4.939 6.664 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.780 -3.533 6.115 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.877 -3.069 7.437 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.356 -1.854 6.245 1.00 0.00 H new ATOM 1341 N THR A 86 10.320 -0.837 7.343 1.00 0.00 N ATOM 1342 CA THR A 86 11.733 -0.509 7.495 1.00 0.00 C ATOM 1343 C THR A 86 12.157 -0.608 8.956 1.00 0.00 C ATOM 1344 O THR A 86 13.252 -1.080 9.267 1.00 0.00 O ATOM 1345 CB THR A 86 12.011 0.897 6.964 1.00 0.00 C ATOM 1346 OG1 THR A 86 11.497 1.049 5.652 1.00 0.00 O ATOM 1347 CG2 THR A 86 13.484 1.240 6.922 1.00 0.00 C ATOM 0 H THR A 86 9.731 -0.051 7.069 1.00 0.00 H new ATOM 0 HA THR A 86 12.314 -1.228 6.917 1.00 0.00 H new ATOM 0 HB THR A 86 11.517 1.572 7.662 1.00 0.00 H new ATOM 0 HG1 THR A 86 10.524 1.162 5.693 1.00 0.00 H new ATOM 0 HG21 THR A 86 13.611 2.251 6.536 1.00 0.00 H new ATOM 0 HG22 THR A 86 13.900 1.181 7.928 1.00 0.00 H new ATOM 0 HG23 THR A 86 14.003 0.535 6.272 1.00 0.00 H new ATOM 1355 N LYS A 87 11.281 -0.160 9.851 1.00 0.00 N ATOM 1356 CA LYS A 87 11.561 -0.196 11.283 1.00 0.00 C ATOM 1357 C LYS A 87 11.930 -1.608 11.732 1.00 0.00 C ATOM 1358 O LYS A 87 13.045 -1.851 12.192 1.00 0.00 O ATOM 1359 CB LYS A 87 10.351 0.308 12.073 1.00 0.00 C ATOM 1360 CG LYS A 87 10.692 1.397 13.077 1.00 0.00 C ATOM 1361 CD LYS A 87 11.092 2.689 12.384 1.00 0.00 C ATOM 1362 CE LYS A 87 11.415 3.783 13.389 1.00 0.00 C ATOM 1363 NZ LYS A 87 10.288 4.026 14.329 1.00 0.00 N ATOM 0 H LYS A 87 10.371 0.232 9.610 1.00 0.00 H new ATOM 0 HA LYS A 87 12.410 0.458 11.479 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.605 0.689 11.376 1.00 0.00 H new ATOM 0 HB3 LYS A 87 9.896 -0.531 12.600 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.833 1.580 13.722 1.00 0.00 H new ATOM 0 HG3 LYS A 87 11.506 1.060 13.718 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.959 2.509 11.749 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.283 3.019 11.732 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.305 3.505 13.954 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.650 4.706 12.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.428 4.937 14.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 9.393 4.048 13.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.254 3.263 15.035 1.00 0.00 H new ATOM 1377 N HIS A 88 10.987 -2.534 11.595 1.00 0.00 N ATOM 1378 CA HIS A 88 11.218 -3.919 11.988 1.00 0.00 C ATOM 1379 C HIS A 88 12.248 -4.584 11.072 1.00 0.00 C ATOM 1380 O HIS A 88 12.810 -5.625 11.411 1.00 0.00 O ATOM 1381 CB HIS A 88 9.900 -4.704 11.980 1.00 0.00 C ATOM 1382 CG HIS A 88 9.532 -5.273 10.643 1.00 0.00 C ATOM 1383 ND1 HIS A 88 8.487 -4.793 9.882 1.00 0.00 N ATOM 1384 CD2 HIS A 88 10.073 -6.293 9.935 1.00 0.00 C ATOM 1385 CE1 HIS A 88 8.401 -5.494 8.765 1.00 0.00 C ATOM 1386 NE2 HIS A 88 9.352 -6.409 8.773 1.00 0.00 N ATOM 0 H HIS A 88 10.058 -2.351 11.216 1.00 0.00 H new ATOM 0 HA HIS A 88 11.618 -3.923 13.002 1.00 0.00 H new ATOM 0 HB2 HIS A 88 9.970 -5.518 12.702 1.00 0.00 H new ATOM 0 HB3 HIS A 88 9.097 -4.048 12.317 1.00 0.00 H new ATOM 0 HD1 HIS A 88 7.876 -4.018 10.141 1.00 0.00 H new ATOM 0 HD2 HIS A 88 10.915 -6.902 10.230 1.00 0.00 H new ATOM 0 HE1 HIS A 88 7.676 -5.344 7.979 1.00 0.00 H new ATOM 1395 N LYS A 89 12.490 -3.977 9.911 1.00 0.00 N ATOM 1396 CA LYS A 89 13.453 -4.515 8.956 1.00 0.00 C ATOM 1397 C LYS A 89 14.883 -4.146 9.352 1.00 0.00 C ATOM 1398 O LYS A 89 15.842 -4.746 8.866 1.00 0.00 O ATOM 1399 CB LYS A 89 13.147 -3.998 7.547 1.00 0.00 C ATOM 1400 CG LYS A 89 14.167 -4.422 6.501 1.00 0.00 C ATOM 1401 CD LYS A 89 13.876 -3.788 5.150 1.00 0.00 C ATOM 1402 CE LYS A 89 15.153 -3.352 4.452 1.00 0.00 C ATOM 1403 NZ LYS A 89 16.086 -4.491 4.237 1.00 0.00 N ATOM 0 H LYS A 89 12.033 -3.116 9.611 1.00 0.00 H new ATOM 0 HA LYS A 89 13.366 -5.602 8.963 1.00 0.00 H new ATOM 0 HB2 LYS A 89 12.162 -4.354 7.246 1.00 0.00 H new ATOM 0 HB3 LYS A 89 13.098 -2.909 7.572 1.00 0.00 H new ATOM 0 HG2 LYS A 89 15.167 -4.138 6.830 1.00 0.00 H new ATOM 0 HG3 LYS A 89 14.160 -5.508 6.404 1.00 0.00 H new ATOM 0 HD2 LYS A 89 13.341 -4.499 4.521 1.00 0.00 H new ATOM 0 HD3 LYS A 89 13.222 -2.927 5.285 1.00 0.00 H new ATOM 0 HE2 LYS A 89 14.905 -2.900 3.492 1.00 0.00 H new ATOM 0 HE3 LYS A 89 15.648 -2.585 5.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 16.906 -4.169 3.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 16.409 -4.853 5.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 15.596 -5.248 3.720 1.00 0.00 H new ATOM 1417 N ASP A 90 15.021 -3.165 10.241 1.00 0.00 N ATOM 1418 CA ASP A 90 16.336 -2.734 10.700 1.00 0.00 C ATOM 1419 C ASP A 90 16.965 -3.798 11.591 1.00 0.00 C ATOM 1420 O ASP A 90 18.075 -4.265 11.334 1.00 0.00 O ATOM 1421 CB ASP A 90 16.228 -1.411 11.461 1.00 0.00 C ATOM 1422 CG ASP A 90 16.074 -0.221 10.532 1.00 0.00 C ATOM 1423 OD1 ASP A 90 16.838 -0.131 9.549 1.00 0.00 O ATOM 1424 OD2 ASP A 90 15.188 0.620 10.790 1.00 0.00 O ATOM 0 H ASP A 90 14.240 -2.656 10.656 1.00 0.00 H new ATOM 0 HA ASP A 90 16.972 -2.587 9.827 1.00 0.00 H new ATOM 0 HB2 ASP A 90 15.375 -1.453 12.138 1.00 0.00 H new ATOM 0 HB3 ASP A 90 17.117 -1.275 12.077 1.00 0.00 H new