USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 826 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 93 LYS NZ :NH3+ 175:sc= 1.24 (180deg=0) USER MOD Set 1.2: A 97 ASN : amide:sc= -0.451 K(o=0.78,f=-4.6) USER MOD Set 2.1: A 46 THR OG1 : rot -123:sc= -0.486 USER MOD Set 2.2: A 48 SER OG : rot -12:sc= 0.0334 USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 ASN :FLIP amide:sc= -0.803 F(o=-4.7!,f=-0.8) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.255 USER MOD Single : A 19 ASN : amide:sc= 0.151 X(o=0.15,f=-0.0022) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 160:sc= 1.13 (180deg=0.858) USER MOD Single : A 27 LYS NZ :NH3+ 169:sc=-0.00035 (180deg=-0.0887) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 37 ASN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 41 HIS : no HD1:sc= -0.186 X(o=-0.19,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -168:sc= 0.125 (180deg=-0.422) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN :FLIP amide:sc= -0.249 F(o=-1.5!,f=-0.25) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -150:sc= 0.596 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot -11:sc= 0.662 USER MOD Single : A 61 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0227) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.28 F(o=-1.6!,f=-0.28) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.23 USER MOD Single : A 71 ASN : amide:sc=-0.00246 K(o=-0.0025,f=-9.3!) USER MOD Single : A 75 TYR OH : rot 30:sc=-0.00198 USER MOD Single : A 82 ASN : amide:sc= -4.32! C(o=-4.3!,f=-8.1!) USER MOD Single : A 83 ASN : amide:sc= 0.0489 K(o=0.049,f=-7.9!) USER MOD Single : A 84 LYS NZ :NH3+ -168:sc= -0.011 (180deg=-0.151) USER MOD Single : A 88 GLN : amide:sc= -0.562 X(o=-0.56,f=-0.94) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ILE A 2 -0.398 12.661 -4.479 1.00 0.00 N ATOM 21 CA ILE A 2 -0.974 11.394 -4.031 1.00 0.00 C ATOM 22 C ILE A 2 -2.450 11.263 -4.438 1.00 0.00 C ATOM 23 O ILE A 2 -3.283 12.113 -4.109 1.00 0.00 O ATOM 24 CB ILE A 2 -0.855 11.256 -2.491 1.00 0.00 C ATOM 25 CG1 ILE A 2 -1.638 10.038 -1.987 1.00 0.00 C ATOM 26 CG2 ILE A 2 -1.334 12.526 -1.795 1.00 0.00 C ATOM 27 CD1 ILE A 2 -1.617 9.883 -0.483 1.00 0.00 C ATOM 0 HA ILE A 2 -0.410 10.597 -4.516 1.00 0.00 H new ATOM 0 HB ILE A 2 0.197 11.108 -2.248 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.672 10.118 -2.321 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.225 9.138 -2.442 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -1.241 12.406 -0.716 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -0.726 13.370 -2.120 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.377 12.710 -2.051 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.191 9.001 -0.200 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.587 9.770 -0.143 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.057 10.766 -0.020 1.00 0.00 H new ATOM 39 N ARG A 3 -2.759 10.210 -5.180 1.00 0.00 N ATOM 40 CA ARG A 3 -4.095 9.937 -5.593 1.00 0.00 C ATOM 41 C ARG A 3 -4.443 8.468 -5.404 1.00 0.00 C ATOM 42 O ARG A 3 -3.611 7.585 -5.584 1.00 0.00 O ATOM 43 CB ARG A 3 -4.246 10.318 -7.045 1.00 0.00 C ATOM 44 CG ARG A 3 -3.000 10.098 -7.888 1.00 0.00 C ATOM 45 CD ARG A 3 -3.224 10.553 -9.319 1.00 0.00 C ATOM 46 NE ARG A 3 -4.391 9.908 -9.918 1.00 0.00 N ATOM 47 CZ ARG A 3 -4.880 10.207 -11.117 1.00 0.00 C ATOM 48 NH1 ARG A 3 -4.318 11.159 -11.856 1.00 0.00 N ATOM 49 NH2 ARG A 3 -5.944 9.559 -11.569 1.00 0.00 N ATOM 0 H ARG A 3 -2.074 9.528 -5.505 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.778 10.522 -4.978 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -5.066 9.743 -7.475 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.528 11.369 -7.104 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -2.163 10.645 -7.455 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -2.730 9.042 -7.876 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -3.356 11.635 -9.340 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -2.339 10.328 -9.914 1.00 0.00 H new ATOM 0 HE ARG A 3 -4.861 9.180 -9.380 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -3.506 11.665 -11.504 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -4.699 11.383 -12.775 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -6.382 8.836 -10.998 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -6.325 9.783 -12.488 1.00 0.00 H new ATOM 63 N PHE A 4 -5.685 8.223 -5.049 1.00 0.00 N ATOM 64 CA PHE A 4 -6.173 6.873 -4.866 1.00 0.00 C ATOM 65 C PHE A 4 -7.077 6.486 -6.029 1.00 0.00 C ATOM 66 O PHE A 4 -8.031 7.190 -6.354 1.00 0.00 O ATOM 67 CB PHE A 4 -6.900 6.733 -3.520 1.00 0.00 C ATOM 68 CG PHE A 4 -8.028 7.707 -3.304 1.00 0.00 C ATOM 69 CD1 PHE A 4 -7.781 8.971 -2.791 1.00 0.00 C ATOM 70 CD2 PHE A 4 -9.335 7.355 -3.604 1.00 0.00 C ATOM 71 CE1 PHE A 4 -8.815 9.864 -2.583 1.00 0.00 C ATOM 72 CE2 PHE A 4 -10.371 8.243 -3.400 1.00 0.00 C ATOM 73 CZ PHE A 4 -10.111 9.499 -2.889 1.00 0.00 C ATOM 0 H PHE A 4 -6.382 8.949 -4.880 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.324 6.189 -4.850 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -7.294 5.720 -3.440 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.174 6.857 -2.717 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.769 9.261 -2.551 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -9.545 6.373 -4.002 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.610 10.846 -2.182 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -11.384 7.956 -3.640 1.00 0.00 H new ATOM 0 HZ PHE A 4 -10.921 10.195 -2.729 1.00 0.00 H new ATOM 83 N GLU A 5 -6.757 5.374 -6.664 1.00 0.00 N ATOM 84 CA GLU A 5 -7.511 4.898 -7.804 1.00 0.00 C ATOM 85 C GLU A 5 -8.143 3.579 -7.449 1.00 0.00 C ATOM 86 O GLU A 5 -7.673 2.504 -7.826 1.00 0.00 O ATOM 87 CB GLU A 5 -6.609 4.730 -9.031 1.00 0.00 C ATOM 88 CG GLU A 5 -5.692 5.912 -9.310 1.00 0.00 C ATOM 89 CD GLU A 5 -6.439 7.201 -9.577 1.00 0.00 C ATOM 90 OE1 GLU A 5 -6.205 8.184 -8.853 1.00 0.00 O ATOM 91 OE2 GLU A 5 -7.250 7.243 -10.527 1.00 0.00 O ATOM 0 H GLU A 5 -5.970 4.779 -6.404 1.00 0.00 H new ATOM 0 HA GLU A 5 -8.279 5.630 -8.052 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.998 3.837 -8.897 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.236 4.559 -9.906 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.027 6.056 -8.458 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.063 5.680 -10.170 1.00 0.00 H new ATOM 98 N ILE A 6 -9.220 3.679 -6.728 1.00 0.00 N ATOM 99 CA ILE A 6 -9.888 2.530 -6.197 1.00 0.00 C ATOM 100 C ILE A 6 -11.033 2.121 -7.099 1.00 0.00 C ATOM 101 O ILE A 6 -11.797 2.955 -7.581 1.00 0.00 O ATOM 102 CB ILE A 6 -10.465 2.860 -4.818 1.00 0.00 C ATOM 103 CG1 ILE A 6 -9.336 3.189 -3.840 1.00 0.00 C ATOM 104 CG2 ILE A 6 -11.339 1.707 -4.289 1.00 0.00 C ATOM 105 CD1 ILE A 6 -9.816 3.820 -2.553 1.00 0.00 C ATOM 0 H ILE A 6 -9.662 4.567 -6.491 1.00 0.00 H new ATOM 0 HA ILE A 6 -9.165 1.718 -6.125 1.00 0.00 H new ATOM 0 HB ILE A 6 -11.106 3.736 -4.914 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -8.791 2.274 -3.606 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.631 3.864 -4.325 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -11.735 1.971 -3.308 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -12.165 1.531 -4.978 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -10.737 0.802 -4.206 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -8.962 4.026 -1.908 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -10.335 4.752 -2.776 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -10.498 3.138 -2.045 1.00 0.00 H new ATOM 117 N HIS A 7 -11.123 0.841 -7.327 1.00 0.00 N ATOM 118 CA HIS A 7 -12.286 0.243 -7.932 1.00 0.00 C ATOM 119 C HIS A 7 -12.922 -0.650 -6.913 1.00 0.00 C ATOM 120 O HIS A 7 -12.598 -1.836 -6.834 1.00 0.00 O ATOM 121 CB HIS A 7 -11.928 -0.606 -9.133 1.00 0.00 C ATOM 122 CG HIS A 7 -11.715 0.172 -10.393 1.00 0.00 C ATOM 123 ND1 HIS A 7 -12.632 0.214 -11.420 1.00 0.00 N ATOM 124 CD2 HIS A 7 -10.672 0.937 -10.791 1.00 0.00 C ATOM 125 CE1 HIS A 7 -12.161 0.969 -12.396 1.00 0.00 C ATOM 126 NE2 HIS A 7 -10.975 1.420 -12.037 1.00 0.00 N ATOM 0 H HIS A 7 -10.386 0.175 -7.097 1.00 0.00 H new ATOM 0 HA HIS A 7 -12.951 1.041 -8.262 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -11.022 -1.168 -8.909 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -12.722 -1.334 -9.299 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -9.769 1.131 -10.231 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -12.662 1.181 -13.329 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -10.379 2.030 -12.597 1.00 0.00 H new ATOM 135 N GLY A 8 -13.805 -0.116 -6.115 1.00 0.00 N ATOM 136 CA GLY A 8 -14.325 -0.936 -5.080 1.00 0.00 C ATOM 137 C GLY A 8 -15.786 -1.279 -5.280 1.00 0.00 C ATOM 138 O GLY A 8 -16.639 -0.392 -5.295 1.00 0.00 O ATOM 0 H GLY A 8 -14.161 0.839 -6.162 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.745 -1.857 -5.026 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -14.204 -0.427 -4.124 1.00 0.00 H new ATOM 142 N ASP A 9 -16.077 -2.562 -5.438 1.00 0.00 N ATOM 143 CA ASP A 9 -17.445 -3.019 -5.641 1.00 0.00 C ATOM 144 C ASP A 9 -17.871 -3.958 -4.522 1.00 0.00 C ATOM 145 O ASP A 9 -17.503 -5.128 -4.495 1.00 0.00 O ATOM 146 CB ASP A 9 -17.594 -3.707 -7.001 1.00 0.00 C ATOM 147 CG ASP A 9 -17.626 -2.719 -8.151 1.00 0.00 C ATOM 148 OD1 ASP A 9 -16.544 -2.319 -8.634 1.00 0.00 O ATOM 149 OD2 ASP A 9 -18.735 -2.335 -8.579 1.00 0.00 O ATOM 0 H ASP A 9 -15.381 -3.308 -5.430 1.00 0.00 H new ATOM 0 HA ASP A 9 -18.097 -2.146 -5.626 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -16.767 -4.402 -7.146 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -18.510 -4.297 -7.008 1.00 0.00 H new ATOM 154 N ASN A 10 -18.652 -3.425 -3.593 1.00 0.00 N ATOM 155 CA ASN A 10 -19.133 -4.197 -2.455 1.00 0.00 C ATOM 156 C ASN A 10 -20.403 -3.572 -1.884 1.00 0.00 C ATOM 157 O ASN A 10 -21.455 -4.209 -1.843 1.00 0.00 O ATOM 158 CB ASN A 10 -18.051 -4.348 -1.360 1.00 0.00 C ATOM 159 CG ASN A 10 -17.564 -3.046 -0.727 1.00 0.00 C ATOM 160 OD1 ASN A 10 -17.387 -2.004 -1.523 1.00 0.00 O flip ATOM 161 ND2 ASN A 10 -17.312 -2.993 0.475 1.00 0.00 N flip ATOM 0 H ASN A 10 -18.968 -2.455 -3.605 1.00 0.00 H new ATOM 0 HA ASN A 10 -19.368 -5.199 -2.813 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -18.445 -4.989 -0.571 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -17.193 -4.864 -1.791 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -17.459 -3.813 1.063 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -16.956 -2.129 0.884 1.00 0.00 H new ATOM 168 N LEU A 11 -20.308 -2.319 -1.470 1.00 0.00 N ATOM 169 CA LEU A 11 -21.448 -1.588 -0.944 1.00 0.00 C ATOM 170 C LEU A 11 -21.476 -0.201 -1.557 1.00 0.00 C ATOM 171 O LEU A 11 -22.347 0.119 -2.366 1.00 0.00 O ATOM 172 CB LEU A 11 -21.374 -1.485 0.584 1.00 0.00 C ATOM 173 CG LEU A 11 -21.442 -2.812 1.345 1.00 0.00 C ATOM 174 CD1 LEU A 11 -21.173 -2.587 2.825 1.00 0.00 C ATOM 175 CD2 LEU A 11 -22.799 -3.472 1.152 1.00 0.00 C ATOM 0 H LEU A 11 -19.441 -1.782 -1.489 1.00 0.00 H new ATOM 0 HA LEU A 11 -22.361 -2.124 -1.202 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -20.445 -0.982 0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -22.190 -0.849 0.926 1.00 0.00 H new ATOM 0 HG LEU A 11 -20.675 -3.476 0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -21.225 -3.539 3.353 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -20.181 -2.155 2.953 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -21.921 -1.906 3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -22.827 -4.413 1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -23.581 -2.811 1.525 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -22.962 -3.665 0.092 1.00 0.00 H new ATOM 187 N THR A 12 -20.502 0.611 -1.173 1.00 0.00 N ATOM 188 CA THR A 12 -20.313 1.922 -1.758 1.00 0.00 C ATOM 189 C THR A 12 -19.009 2.535 -1.257 1.00 0.00 C ATOM 190 O THR A 12 -18.792 2.675 -0.050 1.00 0.00 O ATOM 191 CB THR A 12 -21.503 2.872 -1.464 1.00 0.00 C ATOM 192 OG1 THR A 12 -21.276 4.152 -2.065 1.00 0.00 O ATOM 193 CG2 THR A 12 -21.730 3.050 0.033 1.00 0.00 C ATOM 0 H THR A 12 -19.824 0.376 -0.448 1.00 0.00 H new ATOM 0 HA THR A 12 -20.262 1.794 -2.839 1.00 0.00 H new ATOM 0 HB THR A 12 -22.395 2.415 -1.892 1.00 0.00 H new ATOM 0 HG1 THR A 12 -22.035 4.742 -1.874 1.00 0.00 H new ATOM 0 HG21 THR A 12 -22.572 3.722 0.196 1.00 0.00 H new ATOM 0 HG22 THR A 12 -21.945 2.082 0.486 1.00 0.00 H new ATOM 0 HG23 THR A 12 -20.835 3.473 0.489 1.00 0.00 H new ATOM 201 N ILE A 13 -18.120 2.862 -2.180 1.00 0.00 N ATOM 202 CA ILE A 13 -16.894 3.551 -1.827 1.00 0.00 C ATOM 203 C ILE A 13 -17.179 5.044 -1.753 1.00 0.00 C ATOM 204 O ILE A 13 -16.816 5.813 -2.642 1.00 0.00 O ATOM 205 CB ILE A 13 -15.754 3.275 -2.836 1.00 0.00 C ATOM 206 CG1 ILE A 13 -15.571 1.768 -3.040 1.00 0.00 C ATOM 207 CG2 ILE A 13 -14.449 3.906 -2.362 1.00 0.00 C ATOM 208 CD1 ILE A 13 -15.215 1.012 -1.775 1.00 0.00 C ATOM 0 H ILE A 13 -18.225 2.662 -3.175 1.00 0.00 H new ATOM 0 HA ILE A 13 -16.556 3.177 -0.860 1.00 0.00 H new ATOM 0 HB ILE A 13 -16.028 3.725 -3.790 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -16.491 1.353 -3.452 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -14.788 1.605 -3.781 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -13.661 3.700 -3.086 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -14.580 4.984 -2.265 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -14.172 3.486 -1.395 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -15.103 -0.048 -2.004 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -14.278 1.397 -1.372 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -16.008 1.142 -1.038 1.00 0.00 H new ATOM 220 N THR A 14 -17.872 5.435 -0.699 1.00 0.00 N ATOM 221 CA THR A 14 -18.263 6.818 -0.512 1.00 0.00 C ATOM 222 C THR A 14 -17.157 7.597 0.198 1.00 0.00 C ATOM 223 O THR A 14 -16.060 7.070 0.410 1.00 0.00 O ATOM 224 CB THR A 14 -19.596 6.913 0.278 1.00 0.00 C ATOM 225 OG1 THR A 14 -20.032 8.273 0.398 1.00 0.00 O ATOM 226 CG2 THR A 14 -19.461 6.292 1.662 1.00 0.00 C ATOM 0 H THR A 14 -18.177 4.808 0.045 1.00 0.00 H new ATOM 0 HA THR A 14 -18.420 7.264 -1.494 1.00 0.00 H new ATOM 0 HB THR A 14 -20.344 6.355 -0.285 1.00 0.00 H new ATOM 0 HG1 THR A 14 -20.874 8.304 0.898 1.00 0.00 H new ATOM 0 HG21 THR A 14 -20.410 6.373 2.192 1.00 0.00 H new ATOM 0 HG22 THR A 14 -19.189 5.241 1.564 1.00 0.00 H new ATOM 0 HG23 THR A 14 -18.687 6.816 2.222 1.00 0.00 H new ATOM 234 N ASP A 15 -17.459 8.834 0.564 1.00 0.00 N ATOM 235 CA ASP A 15 -16.482 9.735 1.181 1.00 0.00 C ATOM 236 C ASP A 15 -15.797 9.084 2.376 1.00 0.00 C ATOM 237 O ASP A 15 -14.598 9.238 2.562 1.00 0.00 O ATOM 238 CB ASP A 15 -17.158 11.038 1.616 1.00 0.00 C ATOM 239 CG ASP A 15 -16.248 11.917 2.455 1.00 0.00 C ATOM 240 OD1 ASP A 15 -16.490 12.034 3.676 1.00 0.00 O ATOM 241 OD2 ASP A 15 -15.292 12.497 1.901 1.00 0.00 O ATOM 0 H ASP A 15 -18.384 9.246 0.444 1.00 0.00 H new ATOM 0 HA ASP A 15 -15.721 9.956 0.433 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -17.476 11.590 0.732 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -18.057 10.804 2.186 1.00 0.00 H new ATOM 246 N ALA A 16 -16.573 8.348 3.161 1.00 0.00 N ATOM 247 CA ALA A 16 -16.075 7.640 4.341 1.00 0.00 C ATOM 248 C ALA A 16 -14.778 6.895 4.070 1.00 0.00 C ATOM 249 O ALA A 16 -13.740 7.183 4.658 1.00 0.00 O ATOM 250 CB ALA A 16 -17.109 6.632 4.797 1.00 0.00 C ATOM 0 H ALA A 16 -17.572 8.222 2.999 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.885 8.392 5.106 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.739 6.104 5.676 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -18.035 7.149 5.047 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -17.298 5.917 3.996 1.00 0.00 H new ATOM 256 N ILE A 17 -14.864 5.928 3.180 1.00 0.00 N ATOM 257 CA ILE A 17 -13.743 5.064 2.866 1.00 0.00 C ATOM 258 C ILE A 17 -12.668 5.830 2.134 1.00 0.00 C ATOM 259 O ILE A 17 -11.486 5.637 2.374 1.00 0.00 O ATOM 260 CB ILE A 17 -14.195 3.893 1.986 1.00 0.00 C ATOM 261 CG1 ILE A 17 -15.083 2.934 2.782 1.00 0.00 C ATOM 262 CG2 ILE A 17 -13.006 3.144 1.395 1.00 0.00 C ATOM 263 CD1 ILE A 17 -16.556 3.285 2.765 1.00 0.00 C ATOM 0 H ILE A 17 -15.712 5.718 2.654 1.00 0.00 H new ATOM 0 HA ILE A 17 -13.345 4.685 3.807 1.00 0.00 H new ATOM 0 HB ILE A 17 -14.773 4.307 1.160 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -14.957 1.927 2.384 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -14.739 2.913 3.816 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -13.365 2.321 0.777 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -12.414 3.825 0.784 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -12.387 2.750 2.201 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -17.111 2.554 3.353 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -16.698 4.278 3.192 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -16.920 3.276 1.738 1.00 0.00 H new ATOM 275 N ARG A 18 -13.099 6.695 1.229 1.00 0.00 N ATOM 276 CA ARG A 18 -12.159 7.474 0.470 1.00 0.00 C ATOM 277 C ARG A 18 -11.310 8.278 1.446 1.00 0.00 C ATOM 278 O ARG A 18 -10.084 8.342 1.333 1.00 0.00 O ATOM 279 CB ARG A 18 -12.868 8.396 -0.528 1.00 0.00 C ATOM 280 CG ARG A 18 -13.706 7.650 -1.553 1.00 0.00 C ATOM 281 CD ARG A 18 -14.345 8.594 -2.561 1.00 0.00 C ATOM 282 NE ARG A 18 -15.321 7.902 -3.404 1.00 0.00 N ATOM 283 CZ ARG A 18 -15.733 8.336 -4.596 1.00 0.00 C ATOM 284 NH1 ARG A 18 -15.243 9.455 -5.112 1.00 0.00 N ATOM 285 NH2 ARG A 18 -16.637 7.637 -5.269 1.00 0.00 N ATOM 0 H ARG A 18 -14.080 6.867 1.011 1.00 0.00 H new ATOM 0 HA ARG A 18 -11.526 6.808 -0.116 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.509 9.087 0.020 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.122 8.997 -1.048 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -13.080 6.929 -2.078 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.485 7.084 -1.042 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -14.835 9.413 -2.034 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.571 9.036 -3.188 1.00 0.00 H new ATOM 0 HE ARG A 18 -15.713 7.027 -3.056 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -14.545 9.991 -4.597 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -15.564 9.779 -6.024 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -17.012 6.774 -4.874 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -16.957 7.962 -6.181 1.00 0.00 H new ATOM 299 N ASN A 19 -11.995 8.842 2.437 1.00 0.00 N ATOM 300 CA ASN A 19 -11.357 9.495 3.564 1.00 0.00 C ATOM 301 C ASN A 19 -10.441 8.504 4.261 1.00 0.00 C ATOM 302 O ASN A 19 -9.249 8.736 4.370 1.00 0.00 O ATOM 303 CB ASN A 19 -12.410 9.995 4.559 1.00 0.00 C ATOM 304 CG ASN A 19 -11.988 11.261 5.282 1.00 0.00 C ATOM 305 OD1 ASN A 19 -12.254 12.373 4.823 1.00 0.00 O ATOM 306 ND2 ASN A 19 -11.332 11.106 6.418 1.00 0.00 N ATOM 0 H ASN A 19 -13.014 8.856 2.476 1.00 0.00 H new ATOM 0 HA ASN A 19 -10.782 10.347 3.201 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -13.344 10.180 4.029 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -12.609 9.213 5.292 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -11.028 11.923 6.947 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -11.130 10.169 6.766 1.00 0.00 H new ATOM 313 N TYR A 20 -11.020 7.377 4.686 1.00 0.00 N ATOM 314 CA TYR A 20 -10.295 6.303 5.382 1.00 0.00 C ATOM 315 C TYR A 20 -8.976 5.968 4.673 1.00 0.00 C ATOM 316 O TYR A 20 -7.939 5.761 5.312 1.00 0.00 O ATOM 317 CB TYR A 20 -11.167 5.031 5.435 1.00 0.00 C ATOM 318 CG TYR A 20 -10.827 4.081 6.569 1.00 0.00 C ATOM 319 CD1 TYR A 20 -11.792 3.708 7.497 1.00 0.00 C ATOM 320 CD2 TYR A 20 -9.547 3.557 6.713 1.00 0.00 C ATOM 321 CE1 TYR A 20 -11.491 2.843 8.533 1.00 0.00 C ATOM 322 CE2 TYR A 20 -9.239 2.694 7.745 1.00 0.00 C ATOM 323 CZ TYR A 20 -10.214 2.340 8.653 1.00 0.00 C ATOM 324 OH TYR A 20 -9.908 1.480 9.685 1.00 0.00 O ATOM 0 H TYR A 20 -12.013 7.180 4.557 1.00 0.00 H new ATOM 0 HA TYR A 20 -10.073 6.653 6.390 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -12.212 5.326 5.526 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -11.068 4.498 4.489 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -12.794 4.100 7.407 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -8.780 3.830 6.004 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -12.253 2.563 9.245 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -8.239 2.298 7.841 1.00 0.00 H new ATOM 0 HH TYR A 20 -8.966 1.218 9.624 1.00 0.00 H new ATOM 334 N ILE A 21 -9.012 5.967 3.346 1.00 0.00 N ATOM 335 CA ILE A 21 -7.896 5.517 2.563 1.00 0.00 C ATOM 336 C ILE A 21 -6.966 6.669 2.432 1.00 0.00 C ATOM 337 O ILE A 21 -5.745 6.517 2.380 1.00 0.00 O ATOM 338 CB ILE A 21 -8.345 5.082 1.159 1.00 0.00 C ATOM 339 CG1 ILE A 21 -9.293 3.878 1.235 1.00 0.00 C ATOM 340 CG2 ILE A 21 -7.145 4.764 0.273 1.00 0.00 C ATOM 341 CD1 ILE A 21 -8.681 2.650 1.879 1.00 0.00 C ATOM 0 H ILE A 21 -9.814 6.278 2.798 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.425 4.662 3.047 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.886 5.915 0.711 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -10.183 4.164 1.796 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -9.620 3.622 0.227 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.492 4.459 -0.714 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.517 5.650 0.179 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.567 3.955 0.720 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -9.414 1.844 1.895 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -7.808 2.336 1.307 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -8.380 2.886 2.900 1.00 0.00 H new ATOM 353 N GLU A 22 -7.565 7.844 2.424 1.00 0.00 N ATOM 354 CA GLU A 22 -6.805 9.032 2.256 1.00 0.00 C ATOM 355 C GLU A 22 -5.968 9.264 3.502 1.00 0.00 C ATOM 356 O GLU A 22 -4.835 9.731 3.441 1.00 0.00 O ATOM 357 CB GLU A 22 -7.689 10.244 1.952 1.00 0.00 C ATOM 358 CG GLU A 22 -6.895 11.522 1.749 1.00 0.00 C ATOM 359 CD GLU A 22 -7.754 12.692 1.329 1.00 0.00 C ATOM 360 OE1 GLU A 22 -8.499 13.222 2.178 1.00 0.00 O ATOM 361 OE2 GLU A 22 -7.670 13.101 0.153 1.00 0.00 O ATOM 0 H GLU A 22 -8.569 7.984 2.532 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.151 8.906 1.394 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.277 10.042 1.057 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.394 10.387 2.771 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.378 11.772 2.675 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.129 11.351 0.992 1.00 0.00 H new ATOM 368 N GLU A 23 -6.543 8.894 4.630 1.00 0.00 N ATOM 369 CA GLU A 23 -5.874 8.995 5.910 1.00 0.00 C ATOM 370 C GLU A 23 -4.802 7.927 6.015 1.00 0.00 C ATOM 371 O GLU A 23 -3.687 8.198 6.456 1.00 0.00 O ATOM 372 CB GLU A 23 -6.892 8.835 7.029 1.00 0.00 C ATOM 373 CG GLU A 23 -8.152 9.637 6.784 1.00 0.00 C ATOM 374 CD GLU A 23 -9.139 9.543 7.925 1.00 0.00 C ATOM 375 OE1 GLU A 23 -8.894 10.172 8.977 1.00 0.00 O ATOM 376 OE2 GLU A 23 -10.177 8.864 7.773 1.00 0.00 O ATOM 0 H GLU A 23 -7.488 8.515 4.683 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.402 9.973 5.998 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.150 7.781 7.133 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.443 9.148 7.972 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.886 10.682 6.625 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.628 9.286 5.868 1.00 0.00 H new ATOM 383 N LYS A 24 -5.155 6.712 5.601 1.00 0.00 N ATOM 384 CA LYS A 24 -4.205 5.606 5.557 1.00 0.00 C ATOM 385 C LYS A 24 -2.979 5.983 4.711 1.00 0.00 C ATOM 386 O LYS A 24 -1.895 6.223 5.230 1.00 0.00 O ATOM 387 CB LYS A 24 -4.899 4.374 4.959 1.00 0.00 C ATOM 388 CG LYS A 24 -4.085 3.092 5.044 1.00 0.00 C ATOM 389 CD LYS A 24 -4.160 2.464 6.427 1.00 0.00 C ATOM 390 CE LYS A 24 -5.518 1.825 6.690 1.00 0.00 C ATOM 391 NZ LYS A 24 -5.584 1.182 8.032 1.00 0.00 N ATOM 0 H LYS A 24 -6.096 6.469 5.290 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.866 5.382 6.568 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.849 4.222 5.472 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.131 4.574 3.913 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.449 2.381 4.302 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.045 3.305 4.798 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.379 1.710 6.526 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.965 3.225 7.182 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.296 2.584 6.614 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.723 1.080 5.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.579 1.064 8.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.123 0.251 7.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.097 1.781 8.728 1.00 0.00 H new ATOM 405 N ILE A 25 -3.209 6.064 3.401 1.00 0.00 N ATOM 406 CA ILE A 25 -2.156 6.351 2.441 1.00 0.00 C ATOM 407 C ILE A 25 -1.561 7.720 2.719 1.00 0.00 C ATOM 408 O ILE A 25 -0.388 7.952 2.469 1.00 0.00 O ATOM 409 CB ILE A 25 -2.676 6.294 0.983 1.00 0.00 C ATOM 410 CG1 ILE A 25 -3.476 5.008 0.735 1.00 0.00 C ATOM 411 CG2 ILE A 25 -1.518 6.385 -0.005 1.00 0.00 C ATOM 412 CD1 ILE A 25 -2.676 3.735 0.915 1.00 0.00 C ATOM 0 H ILE A 25 -4.129 5.932 2.981 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.389 5.585 2.553 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.337 7.148 0.831 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.329 4.987 1.414 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.876 5.032 -0.279 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.904 6.343 -1.023 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.986 7.325 0.143 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.834 5.552 0.158 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.315 2.873 0.721 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.839 3.730 0.217 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.298 3.684 1.936 1.00 0.00 H new ATOM 424 N GLY A 26 -2.376 8.617 3.258 1.00 0.00 N ATOM 425 CA GLY A 26 -1.890 9.920 3.644 1.00 0.00 C ATOM 426 C GLY A 26 -0.905 9.864 4.795 1.00 0.00 C ATOM 427 O GLY A 26 0.083 10.604 4.800 1.00 0.00 O ATOM 0 H GLY A 26 -3.369 8.461 3.434 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.412 10.393 2.786 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.735 10.549 3.925 1.00 0.00 H new ATOM 431 N LYS A 27 -1.131 8.969 5.763 1.00 0.00 N ATOM 432 CA LYS A 27 -0.268 8.922 6.914 1.00 0.00 C ATOM 433 C LYS A 27 0.949 8.134 6.520 1.00 0.00 C ATOM 434 O LYS A 27 2.039 8.320 7.063 1.00 0.00 O ATOM 435 CB LYS A 27 -0.968 8.293 8.125 1.00 0.00 C ATOM 436 CG LYS A 27 -0.937 6.775 8.140 1.00 0.00 C ATOM 437 CD LYS A 27 -2.227 6.206 8.687 1.00 0.00 C ATOM 438 CE LYS A 27 -2.160 4.691 8.806 1.00 0.00 C ATOM 439 NZ LYS A 27 -1.236 4.253 9.890 1.00 0.00 N ATOM 0 H LYS A 27 -1.890 8.288 5.761 1.00 0.00 H new ATOM 0 HA LYS A 27 0.007 9.932 7.219 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.498 8.664 9.036 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.006 8.625 8.144 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.772 6.402 7.129 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.099 6.432 8.747 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.432 6.640 9.665 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.055 6.485 8.035 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.158 4.299 9.001 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.831 4.268 7.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.359 3.235 10.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.253 4.440 9.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.449 4.779 10.762 1.00 0.00 H new ATOM 453 N LEU A 28 0.747 7.252 5.548 1.00 0.00 N ATOM 454 CA LEU A 28 1.858 6.534 4.959 1.00 0.00 C ATOM 455 C LEU A 28 2.719 7.484 4.130 1.00 0.00 C ATOM 456 O LEU A 28 3.943 7.486 4.235 1.00 0.00 O ATOM 457 CB LEU A 28 1.326 5.388 4.124 1.00 0.00 C ATOM 458 CG LEU A 28 0.355 4.518 4.899 1.00 0.00 C ATOM 459 CD1 LEU A 28 -0.315 3.496 3.995 1.00 0.00 C ATOM 460 CD2 LEU A 28 1.066 3.825 6.049 1.00 0.00 C ATOM 0 H LEU A 28 -0.167 7.022 5.158 1.00 0.00 H new ATOM 0 HA LEU A 28 2.491 6.121 5.744 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.829 5.785 3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.159 4.778 3.775 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.423 5.165 5.305 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.005 2.889 4.581 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.865 4.012 3.208 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.443 2.854 3.547 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.355 3.205 6.595 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.868 3.199 5.657 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.486 4.573 6.721 1.00 0.00 H new ATOM 472 N GLU A 29 2.055 8.318 3.337 1.00 0.00 N ATOM 473 CA GLU A 29 2.718 9.308 2.495 1.00 0.00 C ATOM 474 C GLU A 29 3.504 10.307 3.341 1.00 0.00 C ATOM 475 O GLU A 29 4.599 10.729 2.963 1.00 0.00 O ATOM 476 CB GLU A 29 1.680 10.040 1.632 1.00 0.00 C ATOM 477 CG GLU A 29 2.271 11.075 0.686 1.00 0.00 C ATOM 478 CD GLU A 29 1.896 12.498 1.052 1.00 0.00 C ATOM 479 OE1 GLU A 29 2.109 12.898 2.219 1.00 0.00 O ATOM 480 OE2 GLU A 29 1.405 13.236 0.171 1.00 0.00 O ATOM 0 H GLU A 29 1.038 8.327 3.260 1.00 0.00 H new ATOM 0 HA GLU A 29 3.422 8.790 1.844 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.127 9.305 1.048 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.962 10.532 2.288 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.357 10.980 0.686 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.933 10.866 -0.329 1.00 0.00 H new ATOM 487 N ARG A 30 2.954 10.676 4.492 1.00 0.00 N ATOM 488 CA ARG A 30 3.608 11.652 5.357 1.00 0.00 C ATOM 489 C ARG A 30 4.892 11.133 6.002 1.00 0.00 C ATOM 490 O ARG A 30 5.585 11.886 6.687 1.00 0.00 O ATOM 491 CB ARG A 30 2.662 12.160 6.420 1.00 0.00 C ATOM 492 CG ARG A 30 1.626 13.155 5.919 1.00 0.00 C ATOM 493 CD ARG A 30 2.275 14.357 5.248 1.00 0.00 C ATOM 494 NE ARG A 30 1.342 15.477 5.119 1.00 0.00 N ATOM 495 CZ ARG A 30 0.890 15.954 3.957 1.00 0.00 C ATOM 496 NH1 ARG A 30 1.205 15.358 2.813 1.00 0.00 N ATOM 497 NH2 ARG A 30 0.096 17.017 3.947 1.00 0.00 N ATOM 0 H ARG A 30 2.066 10.319 4.846 1.00 0.00 H new ATOM 0 HA ARG A 30 3.895 12.476 4.704 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.145 11.310 6.865 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.245 12.629 7.213 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.959 12.661 5.213 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.012 13.492 6.754 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.143 14.672 5.827 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.638 14.070 4.261 1.00 0.00 H new ATOM 0 HE ARG A 30 1.015 15.924 5.976 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.797 14.528 2.817 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.854 15.730 1.930 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.166 17.466 4.825 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.252 17.385 3.062 1.00 0.00 H new ATOM 511 N TYR A 31 5.224 9.868 5.788 1.00 0.00 N ATOM 512 CA TYR A 31 6.514 9.357 6.233 1.00 0.00 C ATOM 513 C TYR A 31 7.606 9.833 5.294 1.00 0.00 C ATOM 514 O TYR A 31 8.788 9.835 5.639 1.00 0.00 O ATOM 515 CB TYR A 31 6.531 7.829 6.285 1.00 0.00 C ATOM 516 CG TYR A 31 5.683 7.242 7.388 1.00 0.00 C ATOM 517 CD1 TYR A 31 5.858 7.641 8.706 1.00 0.00 C ATOM 518 CD2 TYR A 31 4.721 6.280 7.114 1.00 0.00 C ATOM 519 CE1 TYR A 31 5.094 7.099 9.721 1.00 0.00 C ATOM 520 CE2 TYR A 31 3.952 5.736 8.123 1.00 0.00 C ATOM 521 CZ TYR A 31 4.143 6.148 9.424 1.00 0.00 C ATOM 522 OH TYR A 31 3.382 5.604 10.433 1.00 0.00 O ATOM 0 H TYR A 31 4.630 9.186 5.317 1.00 0.00 H new ATOM 0 HA TYR A 31 6.688 9.736 7.240 1.00 0.00 H new ATOM 0 HB2 TYR A 31 6.184 7.439 5.328 1.00 0.00 H new ATOM 0 HB3 TYR A 31 7.560 7.492 6.413 1.00 0.00 H new ATOM 0 HD1 TYR A 31 6.603 8.387 8.941 1.00 0.00 H new ATOM 0 HD2 TYR A 31 4.572 5.952 6.096 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.241 7.419 10.742 1.00 0.00 H new ATOM 0 HE2 TYR A 31 3.204 4.991 7.894 1.00 0.00 H new ATOM 0 HH TYR A 31 2.758 4.950 10.055 1.00 0.00 H new ATOM 532 N PHE A 32 7.200 10.246 4.103 1.00 0.00 N ATOM 533 CA PHE A 32 8.126 10.620 3.070 1.00 0.00 C ATOM 534 C PHE A 32 8.021 12.093 2.790 1.00 0.00 C ATOM 535 O PHE A 32 7.045 12.738 3.173 1.00 0.00 O ATOM 536 CB PHE A 32 7.781 9.905 1.787 1.00 0.00 C ATOM 537 CG PHE A 32 7.179 8.534 1.970 1.00 0.00 C ATOM 538 CD1 PHE A 32 5.958 8.214 1.400 1.00 0.00 C ATOM 539 CD2 PHE A 32 7.837 7.568 2.714 1.00 0.00 C ATOM 540 CE1 PHE A 32 5.408 6.960 1.568 1.00 0.00 C ATOM 541 CE2 PHE A 32 7.291 6.314 2.885 1.00 0.00 C ATOM 542 CZ PHE A 32 6.075 6.009 2.311 1.00 0.00 C ATOM 0 H PHE A 32 6.219 10.328 3.836 1.00 0.00 H new ATOM 0 HA PHE A 32 9.129 10.359 3.408 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.082 10.521 1.221 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.685 9.812 1.185 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.430 8.955 0.817 1.00 0.00 H new ATOM 0 HD2 PHE A 32 8.790 7.801 3.166 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.455 6.723 1.118 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.815 5.571 3.468 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.646 5.027 2.443 1.00 0.00 H new ATOM 552 N ASN A 33 9.022 12.630 2.134 1.00 0.00 N ATOM 553 CA ASN A 33 8.902 13.957 1.584 1.00 0.00 C ATOM 554 C ASN A 33 9.168 13.946 0.084 1.00 0.00 C ATOM 555 O ASN A 33 8.813 14.883 -0.624 1.00 0.00 O ATOM 556 CB ASN A 33 9.841 14.941 2.294 1.00 0.00 C ATOM 557 CG ASN A 33 11.308 14.672 1.998 1.00 0.00 C ATOM 558 OD1 ASN A 33 11.873 15.219 1.053 1.00 0.00 O ATOM 559 ND2 ASN A 33 11.936 13.829 2.804 1.00 0.00 N ATOM 0 H ASN A 33 9.919 12.174 1.970 1.00 0.00 H new ATOM 0 HA ASN A 33 7.879 14.294 1.749 1.00 0.00 H new ATOM 0 HB2 ASN A 33 9.594 15.958 1.988 1.00 0.00 H new ATOM 0 HB3 ASN A 33 9.675 14.883 3.370 1.00 0.00 H new ATOM 0 HD21 ASN A 33 12.921 13.615 2.650 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.434 13.394 3.578 1.00 0.00 H new ATOM 566 N ASP A 34 9.792 12.879 -0.397 1.00 0.00 N ATOM 567 CA ASP A 34 10.153 12.766 -1.785 1.00 0.00 C ATOM 568 C ASP A 34 9.035 12.145 -2.603 1.00 0.00 C ATOM 569 O ASP A 34 9.276 11.532 -3.645 1.00 0.00 O ATOM 570 CB ASP A 34 11.430 11.946 -1.959 1.00 0.00 C ATOM 571 CG ASP A 34 12.612 12.525 -1.213 1.00 0.00 C ATOM 572 OD1 ASP A 34 13.273 13.436 -1.749 1.00 0.00 O ATOM 573 OD2 ASP A 34 12.894 12.055 -0.089 1.00 0.00 O ATOM 0 H ASP A 34 10.057 12.074 0.171 1.00 0.00 H new ATOM 0 HA ASP A 34 10.330 13.778 -2.149 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.252 10.928 -1.612 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.673 11.883 -3.020 1.00 0.00 H new ATOM 578 N VAL A 35 7.820 12.299 -2.122 1.00 0.00 N ATOM 579 CA VAL A 35 6.675 11.659 -2.727 1.00 0.00 C ATOM 580 C VAL A 35 5.637 12.662 -3.275 1.00 0.00 C ATOM 581 O VAL A 35 4.690 13.052 -2.593 1.00 0.00 O ATOM 582 CB VAL A 35 6.042 10.702 -1.699 1.00 0.00 C ATOM 583 CG1 VAL A 35 5.537 11.446 -0.470 1.00 0.00 C ATOM 584 CG2 VAL A 35 4.944 9.863 -2.330 1.00 0.00 C ATOM 0 H VAL A 35 7.600 12.869 -1.305 1.00 0.00 H new ATOM 0 HA VAL A 35 7.020 11.099 -3.596 1.00 0.00 H new ATOM 0 HB VAL A 35 6.826 10.023 -1.363 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.098 10.736 0.230 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.368 11.962 0.010 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.783 12.174 -0.770 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.517 9.198 -1.579 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.165 10.518 -2.720 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.361 9.270 -3.144 1.00 0.00 H new ATOM 594 N PRO A 36 5.815 13.120 -4.520 1.00 0.00 N ATOM 595 CA PRO A 36 4.780 13.871 -5.227 1.00 0.00 C ATOM 596 C PRO A 36 3.766 12.935 -5.883 1.00 0.00 C ATOM 597 O PRO A 36 2.686 13.355 -6.291 1.00 0.00 O ATOM 598 CB PRO A 36 5.571 14.631 -6.286 1.00 0.00 C ATOM 599 CG PRO A 36 6.726 13.742 -6.595 1.00 0.00 C ATOM 600 CD PRO A 36 7.047 13.003 -5.319 1.00 0.00 C ATOM 0 HA PRO A 36 4.200 14.517 -4.568 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.967 14.820 -7.173 1.00 0.00 H new ATOM 0 HB3 PRO A 36 5.904 15.600 -5.914 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.477 13.045 -7.395 1.00 0.00 H new ATOM 0 HG3 PRO A 36 7.584 14.323 -6.934 1.00 0.00 H new ATOM 0 HD2 PRO A 36 7.299 11.961 -5.514 1.00 0.00 H new ATOM 0 HD3 PRO A 36 7.900 13.446 -4.805 1.00 0.00 H new ATOM 608 N ASN A 37 4.132 11.659 -5.970 1.00 0.00 N ATOM 609 CA ASN A 37 3.306 10.651 -6.626 1.00 0.00 C ATOM 610 C ASN A 37 3.117 9.434 -5.731 1.00 0.00 C ATOM 611 O ASN A 37 4.078 8.720 -5.431 1.00 0.00 O ATOM 612 CB ASN A 37 3.940 10.204 -7.950 1.00 0.00 C ATOM 613 CG ASN A 37 3.654 11.139 -9.109 1.00 0.00 C ATOM 614 OD1 ASN A 37 3.468 12.342 -8.934 1.00 0.00 O ATOM 615 ND2 ASN A 37 3.630 10.589 -10.313 1.00 0.00 N ATOM 0 H ASN A 37 5.006 11.296 -5.589 1.00 0.00 H new ATOM 0 HA ASN A 37 2.335 11.105 -6.824 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.019 10.124 -7.817 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.575 9.208 -8.200 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.453 11.167 -11.134 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.789 9.587 -10.419 1.00 0.00 H new ATOM 622 N ALA A 38 1.884 9.216 -5.296 1.00 0.00 N ATOM 623 CA ALA A 38 1.529 8.025 -4.540 1.00 0.00 C ATOM 624 C ALA A 38 0.103 7.616 -4.893 1.00 0.00 C ATOM 625 O ALA A 38 -0.828 8.384 -4.689 1.00 0.00 O ATOM 626 CB ALA A 38 1.656 8.287 -3.043 1.00 0.00 C ATOM 0 H ALA A 38 1.106 9.856 -5.456 1.00 0.00 H new ATOM 0 HA ALA A 38 2.211 7.215 -4.798 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.387 7.386 -2.492 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.684 8.563 -2.808 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.988 9.100 -2.758 1.00 0.00 H new ATOM 632 N VAL A 39 -0.062 6.427 -5.448 1.00 0.00 N ATOM 633 CA VAL A 39 -1.337 5.960 -5.897 1.00 0.00 C ATOM 634 C VAL A 39 -1.800 4.785 -5.036 1.00 0.00 C ATOM 635 O VAL A 39 -0.985 4.111 -4.417 1.00 0.00 O ATOM 636 CB VAL A 39 -1.193 5.508 -7.361 1.00 0.00 C ATOM 637 CG1 VAL A 39 -2.162 4.406 -7.672 1.00 0.00 C ATOM 638 CG2 VAL A 39 -1.374 6.665 -8.317 1.00 0.00 C ATOM 0 H VAL A 39 0.699 5.763 -5.595 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.076 6.757 -5.817 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.181 5.126 -7.492 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.044 4.101 -8.712 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.967 3.555 -7.019 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.180 4.761 -7.511 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.266 6.310 -9.342 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.367 7.095 -8.184 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.620 7.425 -8.115 1.00 0.00 H new ATOM 648 N ALA A 40 -3.103 4.561 -4.992 1.00 0.00 N ATOM 649 CA ALA A 40 -3.667 3.351 -4.407 1.00 0.00 C ATOM 650 C ALA A 40 -4.694 2.759 -5.358 1.00 0.00 C ATOM 651 O ALA A 40 -5.873 3.109 -5.308 1.00 0.00 O ATOM 652 CB ALA A 40 -4.312 3.670 -3.065 1.00 0.00 C ATOM 0 H ALA A 40 -3.800 5.209 -5.359 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.871 2.625 -4.244 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.730 2.759 -2.637 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.561 4.078 -2.388 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.107 4.402 -3.208 1.00 0.00 H new ATOM 658 N HIS A 41 -4.234 1.907 -6.257 1.00 0.00 N ATOM 659 CA HIS A 41 -5.114 1.192 -7.167 1.00 0.00 C ATOM 660 C HIS A 41 -5.653 -0.023 -6.443 1.00 0.00 C ATOM 661 O HIS A 41 -5.036 -1.085 -6.448 1.00 0.00 O ATOM 662 CB HIS A 41 -4.367 0.755 -8.435 1.00 0.00 C ATOM 663 CG HIS A 41 -5.262 0.187 -9.502 1.00 0.00 C ATOM 664 ND1 HIS A 41 -5.491 0.816 -10.706 1.00 0.00 N ATOM 665 CD2 HIS A 41 -5.973 -0.966 -9.545 1.00 0.00 C ATOM 666 CE1 HIS A 41 -6.304 0.077 -11.439 1.00 0.00 C ATOM 667 NE2 HIS A 41 -6.611 -1.010 -10.758 1.00 0.00 N ATOM 0 H HIS A 41 -3.244 1.691 -6.377 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.927 1.850 -7.474 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -3.830 1.612 -8.842 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -3.619 0.009 -8.166 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -6.027 -1.713 -8.767 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -6.658 0.322 -12.430 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -7.222 -1.760 -11.081 1.00 0.00 H new ATOM 676 N VAL A 42 -6.789 0.136 -5.810 1.00 0.00 N ATOM 677 CA VAL A 42 -7.318 -0.874 -4.955 1.00 0.00 C ATOM 678 C VAL A 42 -8.625 -1.354 -5.530 1.00 0.00 C ATOM 679 O VAL A 42 -9.299 -0.620 -6.226 1.00 0.00 O ATOM 680 CB VAL A 42 -7.503 -0.258 -3.573 1.00 0.00 C ATOM 681 CG1 VAL A 42 -8.658 -0.880 -2.848 1.00 0.00 C ATOM 682 CG2 VAL A 42 -6.230 -0.428 -2.793 1.00 0.00 C ATOM 0 H VAL A 42 -7.367 0.974 -5.879 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.651 -1.732 -4.874 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.728 0.803 -3.682 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.762 -0.418 -1.866 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.573 -0.726 -3.421 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -8.480 -1.949 -2.729 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.350 0.009 -1.802 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.001 -1.489 -2.697 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.414 0.073 -3.314 1.00 0.00 H new ATOM 692 N LYS A 43 -8.950 -2.585 -5.270 1.00 0.00 N ATOM 693 CA LYS A 43 -10.140 -3.189 -5.849 1.00 0.00 C ATOM 694 C LYS A 43 -10.707 -4.245 -4.940 1.00 0.00 C ATOM 695 O LYS A 43 -10.124 -5.297 -4.730 1.00 0.00 O ATOM 696 CB LYS A 43 -9.826 -3.752 -7.245 1.00 0.00 C ATOM 697 CG LYS A 43 -10.969 -4.532 -7.881 1.00 0.00 C ATOM 698 CD LYS A 43 -10.899 -4.489 -9.404 1.00 0.00 C ATOM 699 CE LYS A 43 -9.602 -5.078 -9.947 1.00 0.00 C ATOM 700 NZ LYS A 43 -9.570 -6.561 -9.861 1.00 0.00 N ATOM 0 H LYS A 43 -8.414 -3.202 -4.660 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.902 -2.418 -5.961 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.555 -2.927 -7.904 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.954 -4.402 -7.173 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.935 -5.568 -7.544 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.921 -4.119 -7.548 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.745 -5.038 -9.819 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.993 -3.456 -9.740 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.476 -4.775 -10.986 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.759 -4.667 -9.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.604 -6.899 -10.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.863 -6.860 -8.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.220 -6.964 -10.566 1.00 0.00 H new ATOM 714 N VAL A 44 -11.850 -3.924 -4.398 1.00 0.00 N ATOM 715 CA VAL A 44 -12.553 -4.790 -3.489 1.00 0.00 C ATOM 716 C VAL A 44 -13.811 -5.316 -4.187 1.00 0.00 C ATOM 717 O VAL A 44 -14.324 -4.678 -5.110 1.00 0.00 O ATOM 718 CB VAL A 44 -12.974 -4.026 -2.225 1.00 0.00 C ATOM 719 CG1 VAL A 44 -14.160 -3.170 -2.551 1.00 0.00 C ATOM 720 CG2 VAL A 44 -13.301 -4.977 -1.094 1.00 0.00 C ATOM 0 H VAL A 44 -12.327 -3.040 -4.578 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.895 -5.610 -3.202 1.00 0.00 H new ATOM 0 HB VAL A 44 -12.146 -3.400 -1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -14.469 -2.622 -1.661 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -13.894 -2.464 -3.338 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -14.981 -3.801 -2.892 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.596 -4.407 -0.213 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -14.120 -5.631 -1.394 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -12.423 -5.579 -0.860 1.00 0.00 H new ATOM 730 N LYS A 45 -14.286 -6.458 -3.739 1.00 0.00 N ATOM 731 CA LYS A 45 -15.434 -7.142 -4.336 1.00 0.00 C ATOM 732 C LYS A 45 -16.032 -8.143 -3.349 1.00 0.00 C ATOM 733 O LYS A 45 -15.331 -9.016 -2.836 1.00 0.00 O ATOM 734 CB LYS A 45 -15.026 -7.887 -5.615 1.00 0.00 C ATOM 735 CG LYS A 45 -14.804 -6.988 -6.818 1.00 0.00 C ATOM 736 CD LYS A 45 -14.437 -7.788 -8.050 1.00 0.00 C ATOM 737 CE LYS A 45 -14.175 -6.883 -9.239 1.00 0.00 C ATOM 738 NZ LYS A 45 -13.816 -7.658 -10.452 1.00 0.00 N ATOM 0 H LYS A 45 -13.887 -6.951 -2.940 1.00 0.00 H new ATOM 0 HA LYS A 45 -16.176 -6.384 -4.585 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.111 -8.446 -5.420 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -15.799 -8.616 -5.859 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.708 -6.411 -7.014 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.011 -6.273 -6.598 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -13.551 -8.388 -7.845 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.243 -8.481 -8.289 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.062 -6.282 -9.441 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.368 -6.190 -8.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.644 -7.005 -11.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -12.956 -8.212 -10.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -14.596 -8.301 -10.697 1.00 0.00 H new ATOM 752 N THR A 46 -17.315 -8.006 -3.068 1.00 0.00 N ATOM 753 CA THR A 46 -18.015 -8.967 -2.225 1.00 0.00 C ATOM 754 C THR A 46 -19.522 -8.851 -2.404 1.00 0.00 C ATOM 755 O THR A 46 -20.042 -7.773 -2.705 1.00 0.00 O ATOM 756 CB THR A 46 -17.668 -8.791 -0.730 1.00 0.00 C ATOM 757 OG1 THR A 46 -18.325 -9.794 0.054 1.00 0.00 O ATOM 758 CG2 THR A 46 -18.072 -7.420 -0.223 1.00 0.00 C ATOM 0 H THR A 46 -17.896 -7.240 -3.409 1.00 0.00 H new ATOM 0 HA THR A 46 -17.683 -9.956 -2.541 1.00 0.00 H new ATOM 0 HB THR A 46 -16.587 -8.893 -0.632 1.00 0.00 H new ATOM 0 HG1 THR A 46 -18.875 -9.364 0.741 1.00 0.00 H new ATOM 0 HG21 THR A 46 -17.813 -7.331 0.832 1.00 0.00 H new ATOM 0 HG22 THR A 46 -17.547 -6.653 -0.791 1.00 0.00 H new ATOM 0 HG23 THR A 46 -19.147 -7.289 -0.345 1.00 0.00 H new ATOM 766 N TYR A 47 -20.210 -9.966 -2.245 1.00 0.00 N ATOM 767 CA TYR A 47 -21.650 -9.958 -2.092 1.00 0.00 C ATOM 768 C TYR A 47 -22.007 -10.807 -0.880 1.00 0.00 C ATOM 769 O TYR A 47 -22.696 -11.825 -0.973 1.00 0.00 O ATOM 770 CB TYR A 47 -22.343 -10.464 -3.369 1.00 0.00 C ATOM 771 CG TYR A 47 -21.672 -11.657 -4.023 1.00 0.00 C ATOM 772 CD1 TYR A 47 -20.651 -11.478 -4.950 1.00 0.00 C ATOM 773 CD2 TYR A 47 -22.061 -12.955 -3.722 1.00 0.00 C ATOM 774 CE1 TYR A 47 -20.039 -12.559 -5.554 1.00 0.00 C ATOM 775 CE2 TYR A 47 -21.453 -14.040 -4.321 1.00 0.00 C ATOM 776 CZ TYR A 47 -20.443 -13.837 -5.236 1.00 0.00 C ATOM 777 OH TYR A 47 -19.833 -14.916 -5.834 1.00 0.00 O ATOM 0 H TYR A 47 -19.789 -10.895 -2.219 1.00 0.00 H new ATOM 0 HA TYR A 47 -22.003 -8.939 -1.933 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -23.372 -10.730 -3.127 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -22.387 -9.648 -4.090 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -20.331 -10.478 -5.202 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -22.853 -13.119 -3.007 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -19.248 -12.403 -6.272 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -21.767 -15.043 -4.074 1.00 0.00 H new ATOM 0 HH TYR A 47 -20.234 -15.745 -5.500 1.00 0.00 H new ATOM 787 N SER A 48 -21.535 -10.336 0.266 1.00 0.00 N ATOM 788 CA SER A 48 -21.707 -11.006 1.544 1.00 0.00 C ATOM 789 C SER A 48 -20.985 -10.199 2.613 1.00 0.00 C ATOM 790 O SER A 48 -20.139 -9.359 2.291 1.00 0.00 O ATOM 791 CB SER A 48 -21.133 -12.429 1.487 1.00 0.00 C ATOM 792 OG SER A 48 -19.754 -12.417 1.148 1.00 0.00 O ATOM 0 H SER A 48 -21.013 -9.462 0.333 1.00 0.00 H new ATOM 0 HA SER A 48 -22.769 -11.077 1.779 1.00 0.00 H new ATOM 0 HB2 SER A 48 -21.268 -12.917 2.453 1.00 0.00 H new ATOM 0 HB3 SER A 48 -21.685 -13.017 0.753 1.00 0.00 H new ATOM 0 HG SER A 48 -19.503 -11.524 0.831 1.00 0.00 H new ATOM 798 N ASN A 49 -21.302 -10.437 3.875 1.00 0.00 N ATOM 799 CA ASN A 49 -20.588 -9.776 4.959 1.00 0.00 C ATOM 800 C ASN A 49 -19.575 -10.745 5.565 1.00 0.00 C ATOM 801 O ASN A 49 -19.159 -10.608 6.713 1.00 0.00 O ATOM 802 CB ASN A 49 -21.559 -9.265 6.028 1.00 0.00 C ATOM 803 CG ASN A 49 -20.903 -8.311 7.016 1.00 0.00 C ATOM 804 OD1 ASN A 49 -19.957 -7.507 6.548 1.00 0.00 O flip ATOM 805 ND2 ASN A 49 -21.262 -8.281 8.193 1.00 0.00 N flip ATOM 0 H ASN A 49 -22.040 -11.075 4.174 1.00 0.00 H new ATOM 0 HA ASN A 49 -20.060 -8.911 4.557 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -22.393 -8.760 5.542 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -21.973 -10.114 6.571 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -21.993 -8.913 8.520 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -20.829 -7.624 8.842 1.00 0.00 H new ATOM 812 N SER A 50 -19.197 -11.741 4.775 1.00 0.00 N ATOM 813 CA SER A 50 -18.185 -12.703 5.179 1.00 0.00 C ATOM 814 C SER A 50 -16.984 -12.597 4.263 1.00 0.00 C ATOM 815 O SER A 50 -16.076 -13.428 4.276 1.00 0.00 O ATOM 816 CB SER A 50 -18.749 -14.125 5.171 1.00 0.00 C ATOM 817 OG SER A 50 -19.936 -14.206 5.949 1.00 0.00 O ATOM 0 H SER A 50 -19.581 -11.903 3.844 1.00 0.00 H new ATOM 0 HA SER A 50 -17.873 -12.476 6.198 1.00 0.00 H new ATOM 0 HB2 SER A 50 -18.960 -14.431 4.146 1.00 0.00 H new ATOM 0 HB3 SER A 50 -18.005 -14.818 5.564 1.00 0.00 H new ATOM 0 HG SER A 50 -20.279 -15.124 5.928 1.00 0.00 H new ATOM 823 N ALA A 51 -17.012 -11.565 3.457 1.00 0.00 N ATOM 824 CA ALA A 51 -15.978 -11.333 2.467 1.00 0.00 C ATOM 825 C ALA A 51 -15.804 -9.867 2.186 1.00 0.00 C ATOM 826 O ALA A 51 -16.741 -9.076 2.306 1.00 0.00 O ATOM 827 CB ALA A 51 -16.313 -11.998 1.144 1.00 0.00 C ATOM 0 H ALA A 51 -17.749 -10.860 3.465 1.00 0.00 H new ATOM 0 HA ALA A 51 -15.065 -11.755 2.887 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -15.516 -11.803 0.427 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -16.412 -13.073 1.292 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -17.251 -11.596 0.762 1.00 0.00 H new ATOM 833 N THR A 52 -14.592 -9.517 1.829 1.00 0.00 N ATOM 834 CA THR A 52 -14.342 -8.371 1.057 1.00 0.00 C ATOM 835 C THR A 52 -13.083 -8.607 0.235 1.00 0.00 C ATOM 836 O THR A 52 -11.976 -8.302 0.678 1.00 0.00 O ATOM 837 CB THR A 52 -14.218 -7.086 1.886 1.00 0.00 C ATOM 838 OG1 THR A 52 -14.498 -7.406 3.225 1.00 0.00 O ATOM 839 CG2 THR A 52 -15.199 -6.027 1.411 1.00 0.00 C ATOM 0 H THR A 52 -13.754 -10.042 2.081 1.00 0.00 H new ATOM 0 HA THR A 52 -15.203 -8.213 0.408 1.00 0.00 H new ATOM 0 HB THR A 52 -13.210 -6.685 1.777 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.889 -6.627 3.673 1.00 0.00 H new ATOM 0 HG21 THR A 52 -15.087 -5.129 2.018 1.00 0.00 H new ATOM 0 HG22 THR A 52 -14.998 -5.787 0.367 1.00 0.00 H new ATOM 0 HG23 THR A 52 -16.217 -6.405 1.507 1.00 0.00 H new ATOM 847 N LYS A 53 -13.256 -9.176 -0.952 1.00 0.00 N ATOM 848 CA LYS A 53 -12.120 -9.593 -1.760 1.00 0.00 C ATOM 849 C LYS A 53 -11.421 -8.383 -2.316 1.00 0.00 C ATOM 850 O LYS A 53 -12.013 -7.594 -3.037 1.00 0.00 O ATOM 851 CB LYS A 53 -12.570 -10.523 -2.891 1.00 0.00 C ATOM 852 CG LYS A 53 -11.432 -11.015 -3.776 1.00 0.00 C ATOM 853 CD LYS A 53 -11.938 -11.897 -4.909 1.00 0.00 C ATOM 854 CE LYS A 53 -12.801 -11.118 -5.892 1.00 0.00 C ATOM 855 NZ LYS A 53 -13.344 -11.991 -6.967 1.00 0.00 N ATOM 0 H LYS A 53 -14.167 -9.358 -1.373 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.424 -10.146 -1.129 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.079 -11.384 -2.459 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.298 -10.000 -3.510 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -10.899 -10.160 -4.191 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.717 -11.574 -3.172 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.090 -12.333 -5.437 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.515 -12.724 -4.495 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.625 -10.646 -5.357 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.211 -10.318 -6.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.926 -11.423 -7.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.558 -12.422 -7.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.928 -12.740 -6.544 1.00 0.00 H new ATOM 869 N ILE A 54 -10.163 -8.246 -1.972 1.00 0.00 N ATOM 870 CA ILE A 54 -9.438 -7.036 -2.254 1.00 0.00 C ATOM 871 C ILE A 54 -8.248 -7.253 -3.143 1.00 0.00 C ATOM 872 O ILE A 54 -7.703 -8.351 -3.249 1.00 0.00 O ATOM 873 CB ILE A 54 -8.955 -6.362 -0.965 1.00 0.00 C ATOM 874 CG1 ILE A 54 -8.491 -7.379 0.088 1.00 0.00 C ATOM 875 CG2 ILE A 54 -10.064 -5.525 -0.443 1.00 0.00 C ATOM 876 CD1 ILE A 54 -7.070 -7.863 -0.108 1.00 0.00 C ATOM 0 H ILE A 54 -9.619 -8.964 -1.493 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.148 -6.395 -2.777 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.084 -5.746 -1.190 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.577 -6.928 1.077 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.162 -8.238 0.070 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.747 -5.033 0.476 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -10.332 -4.772 -1.184 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -10.929 -6.155 -0.237 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.818 -8.578 0.675 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.981 -8.345 -1.082 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.387 -7.015 -0.059 1.00 0.00 H new ATOM 888 N GLU A 55 -7.863 -6.167 -3.763 1.00 0.00 N ATOM 889 CA GLU A 55 -6.700 -6.104 -4.571 1.00 0.00 C ATOM 890 C GLU A 55 -6.122 -4.716 -4.459 1.00 0.00 C ATOM 891 O GLU A 55 -6.665 -3.770 -4.996 1.00 0.00 O ATOM 892 CB GLU A 55 -7.053 -6.341 -6.012 1.00 0.00 C ATOM 893 CG GLU A 55 -7.273 -7.790 -6.395 1.00 0.00 C ATOM 894 CD GLU A 55 -7.838 -7.921 -7.788 1.00 0.00 C ATOM 895 OE1 GLU A 55 -8.979 -8.412 -7.929 1.00 0.00 O ATOM 896 OE2 GLU A 55 -7.164 -7.493 -8.752 1.00 0.00 O ATOM 0 H GLU A 55 -8.372 -5.285 -3.710 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.991 -6.862 -4.239 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.958 -5.780 -6.244 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.257 -5.934 -6.636 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.328 -8.330 -6.334 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.953 -8.256 -5.682 1.00 0.00 H new ATOM 903 N VAL A 56 -5.023 -4.596 -3.798 1.00 0.00 N ATOM 904 CA VAL A 56 -4.381 -3.309 -3.652 1.00 0.00 C ATOM 905 C VAL A 56 -3.232 -3.277 -4.595 1.00 0.00 C ATOM 906 O VAL A 56 -2.620 -4.299 -4.892 1.00 0.00 O ATOM 907 CB VAL A 56 -3.821 -3.058 -2.214 1.00 0.00 C ATOM 908 CG1 VAL A 56 -3.930 -4.318 -1.448 1.00 0.00 C ATOM 909 CG2 VAL A 56 -2.346 -2.565 -2.241 1.00 0.00 C ATOM 0 H VAL A 56 -4.538 -5.369 -3.343 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.127 -2.540 -3.852 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.406 -2.270 -1.739 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.544 -4.166 -0.440 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.975 -4.622 -1.394 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.351 -5.097 -1.944 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.998 -2.403 -1.221 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.720 -3.316 -2.723 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.285 -1.630 -2.798 1.00 0.00 H new ATOM 919 N THR A 57 -2.998 -2.124 -5.096 1.00 0.00 N ATOM 920 CA THR A 57 -1.756 -1.827 -5.754 1.00 0.00 C ATOM 921 C THR A 57 -1.470 -0.350 -5.615 1.00 0.00 C ATOM 922 O THR A 57 -2.076 0.476 -6.273 1.00 0.00 O ATOM 923 CB THR A 57 -1.753 -2.204 -7.245 1.00 0.00 C ATOM 924 OG1 THR A 57 -2.197 -3.559 -7.434 1.00 0.00 O ATOM 925 CG2 THR A 57 -0.364 -2.043 -7.845 1.00 0.00 C ATOM 0 H THR A 57 -3.657 -1.346 -5.068 1.00 0.00 H new ATOM 0 HA THR A 57 -0.985 -2.429 -5.274 1.00 0.00 H new ATOM 0 HB THR A 57 -2.441 -1.528 -7.752 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.238 -4.014 -6.567 1.00 0.00 H new ATOM 0 HG21 THR A 57 -0.389 -2.316 -8.900 1.00 0.00 H new ATOM 0 HG22 THR A 57 -0.043 -1.006 -7.746 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.337 -2.691 -7.319 1.00 0.00 H new ATOM 933 N ILE A 58 -0.543 -0.047 -4.759 1.00 0.00 N ATOM 934 CA ILE A 58 -0.217 1.318 -4.387 1.00 0.00 C ATOM 935 C ILE A 58 1.159 1.688 -5.001 1.00 0.00 C ATOM 936 O ILE A 58 2.215 1.380 -4.440 1.00 0.00 O ATOM 937 CB ILE A 58 -0.188 1.406 -2.829 1.00 0.00 C ATOM 938 CG1 ILE A 58 -1.565 1.731 -2.243 1.00 0.00 C ATOM 939 CG2 ILE A 58 0.813 2.431 -2.312 1.00 0.00 C ATOM 940 CD1 ILE A 58 -2.614 0.671 -2.462 1.00 0.00 C ATOM 0 H ILE A 58 0.026 -0.747 -4.283 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.959 2.021 -4.764 1.00 0.00 H new ATOM 0 HB ILE A 58 0.124 0.415 -2.499 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.457 1.899 -1.171 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.918 2.666 -2.678 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.788 2.447 -1.222 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.815 2.163 -2.648 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.554 3.418 -2.695 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.554 0.991 -2.012 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.758 0.517 -3.531 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.290 -0.262 -2.001 1.00 0.00 H new ATOM 952 N PRO A 59 1.162 2.220 -6.230 1.00 0.00 N ATOM 953 CA PRO A 59 2.361 2.751 -6.886 1.00 0.00 C ATOM 954 C PRO A 59 2.746 4.157 -6.431 1.00 0.00 C ATOM 955 O PRO A 59 2.054 5.133 -6.725 1.00 0.00 O ATOM 956 CB PRO A 59 1.959 2.808 -8.372 1.00 0.00 C ATOM 957 CG PRO A 59 0.695 2.034 -8.461 1.00 0.00 C ATOM 958 CD PRO A 59 0.033 2.249 -7.140 1.00 0.00 C ATOM 0 HA PRO A 59 3.226 2.128 -6.657 1.00 0.00 H new ATOM 0 HB2 PRO A 59 1.815 3.837 -8.702 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.732 2.375 -9.006 1.00 0.00 H new ATOM 0 HG2 PRO A 59 0.070 2.388 -9.281 1.00 0.00 H new ATOM 0 HG3 PRO A 59 0.889 0.977 -8.641 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.499 3.199 -7.100 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -0.693 1.467 -6.915 1.00 0.00 H new ATOM 966 N LEU A 60 3.846 4.252 -5.712 1.00 0.00 N ATOM 967 CA LEU A 60 4.509 5.517 -5.477 1.00 0.00 C ATOM 968 C LEU A 60 5.602 5.666 -6.527 1.00 0.00 C ATOM 969 O LEU A 60 5.749 4.785 -7.379 1.00 0.00 O ATOM 970 CB LEU A 60 5.140 5.539 -4.084 1.00 0.00 C ATOM 971 CG LEU A 60 4.214 5.908 -2.927 1.00 0.00 C ATOM 972 CD1 LEU A 60 3.131 4.863 -2.733 1.00 0.00 C ATOM 973 CD2 LEU A 60 5.018 6.080 -1.652 1.00 0.00 C ATOM 0 H LEU A 60 4.305 3.453 -5.274 1.00 0.00 H new ATOM 0 HA LEU A 60 3.789 6.333 -5.540 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.562 4.554 -3.884 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.971 6.245 -4.096 1.00 0.00 H new ATOM 0 HG LEU A 60 3.726 6.852 -3.170 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.489 5.155 -1.902 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.535 4.784 -3.642 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.591 3.899 -2.515 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.349 6.343 -0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.531 5.147 -1.417 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.753 6.873 -1.789 1.00 0.00 H new ATOM 985 N LYS A 61 6.358 6.757 -6.505 1.00 0.00 N ATOM 986 CA LYS A 61 7.568 6.803 -7.310 1.00 0.00 C ATOM 987 C LYS A 61 8.464 5.702 -6.847 1.00 0.00 C ATOM 988 O LYS A 61 8.959 4.889 -7.625 1.00 0.00 O ATOM 989 CB LYS A 61 8.373 8.063 -7.090 1.00 0.00 C ATOM 990 CG LYS A 61 7.607 9.361 -7.262 1.00 0.00 C ATOM 991 CD LYS A 61 8.525 10.566 -7.106 1.00 0.00 C ATOM 992 CE LYS A 61 9.723 10.513 -8.047 1.00 0.00 C ATOM 993 NZ LYS A 61 9.319 10.471 -9.477 1.00 0.00 N ATOM 0 H LYS A 61 6.163 7.595 -5.957 1.00 0.00 H new ATOM 0 HA LYS A 61 7.257 6.736 -8.353 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.789 8.037 -6.083 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.214 8.062 -7.783 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.138 9.382 -8.246 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.805 9.414 -6.526 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.958 11.477 -7.296 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.878 10.619 -6.076 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.355 11.385 -7.876 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.324 9.634 -7.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.168 10.487 -10.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.781 9.600 -9.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.725 11.297 -9.694 1.00 0.00 H new ATOM 1007 N ASN A 62 8.655 5.713 -5.538 1.00 0.00 N ATOM 1008 CA ASN A 62 9.671 4.925 -4.917 1.00 0.00 C ATOM 1009 C ASN A 62 9.404 3.439 -5.083 1.00 0.00 C ATOM 1010 O ASN A 62 10.197 2.716 -5.683 1.00 0.00 O ATOM 1011 CB ASN A 62 9.803 5.277 -3.450 1.00 0.00 C ATOM 1012 CG ASN A 62 10.794 6.397 -3.191 1.00 0.00 C ATOM 1013 OD1 ASN A 62 11.867 6.442 -3.967 1.00 0.00 O flip ATOM 1014 ND2 ASN A 62 10.605 7.207 -2.285 1.00 0.00 N flip ATOM 0 H ASN A 62 8.103 6.273 -4.888 1.00 0.00 H new ATOM 0 HA ASN A 62 10.613 5.153 -5.416 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.826 5.568 -3.064 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.113 4.391 -2.897 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.766 7.140 -1.708 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.287 7.945 -2.111 1.00 0.00 H new ATOM 1021 N VAL A 63 8.278 2.991 -4.547 1.00 0.00 N ATOM 1022 CA VAL A 63 7.906 1.596 -4.618 1.00 0.00 C ATOM 1023 C VAL A 63 6.415 1.435 -4.899 1.00 0.00 C ATOM 1024 O VAL A 63 5.604 2.307 -4.579 1.00 0.00 O ATOM 1025 CB VAL A 63 8.279 0.875 -3.307 1.00 0.00 C ATOM 1026 CG1 VAL A 63 7.451 1.390 -2.138 1.00 0.00 C ATOM 1027 CG2 VAL A 63 8.149 -0.635 -3.444 1.00 0.00 C ATOM 0 H VAL A 63 7.606 3.582 -4.057 1.00 0.00 H new ATOM 0 HA VAL A 63 8.457 1.144 -5.443 1.00 0.00 H new ATOM 0 HB VAL A 63 9.325 1.099 -3.100 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.738 0.862 -1.229 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.628 2.458 -2.009 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.393 1.220 -2.338 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.420 -1.111 -2.501 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.120 -0.890 -3.697 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.814 -0.987 -4.232 1.00 0.00 H new ATOM 1037 N THR A 64 6.082 0.327 -5.524 1.00 0.00 N ATOM 1038 CA THR A 64 4.703 -0.031 -5.805 1.00 0.00 C ATOM 1039 C THR A 64 4.344 -1.314 -5.054 1.00 0.00 C ATOM 1040 O THR A 64 4.963 -2.358 -5.279 1.00 0.00 O ATOM 1041 CB THR A 64 4.495 -0.261 -7.318 1.00 0.00 C ATOM 1042 OG1 THR A 64 4.793 0.938 -8.044 1.00 0.00 O ATOM 1043 CG2 THR A 64 3.068 -0.698 -7.618 1.00 0.00 C ATOM 0 H THR A 64 6.762 -0.357 -5.855 1.00 0.00 H new ATOM 0 HA THR A 64 4.062 0.788 -5.479 1.00 0.00 H new ATOM 0 HB THR A 64 5.172 -1.056 -7.632 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.660 0.782 -9.002 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.953 -0.852 -8.691 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.855 -1.629 -7.093 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.374 0.074 -7.285 1.00 0.00 H new ATOM 1051 N LEU A 65 3.377 -1.246 -4.147 1.00 0.00 N ATOM 1052 CA LEU A 65 2.915 -2.457 -3.476 1.00 0.00 C ATOM 1053 C LEU A 65 1.649 -2.971 -4.094 1.00 0.00 C ATOM 1054 O LEU A 65 0.959 -2.258 -4.810 1.00 0.00 O ATOM 1055 CB LEU A 65 2.648 -2.271 -1.985 1.00 0.00 C ATOM 1056 CG LEU A 65 3.913 -2.216 -1.101 1.00 0.00 C ATOM 1057 CD1 LEU A 65 4.468 -0.801 -0.939 1.00 0.00 C ATOM 1058 CD2 LEU A 65 3.635 -2.846 0.248 1.00 0.00 C ATOM 0 H LEU A 65 2.906 -0.387 -3.863 1.00 0.00 H new ATOM 0 HA LEU A 65 3.734 -3.166 -3.599 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.083 -1.349 -1.844 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.016 -3.089 -1.639 1.00 0.00 H new ATOM 0 HG LEU A 65 4.686 -2.789 -1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.356 -0.829 -0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.731 -0.399 -1.917 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.713 -0.165 -0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.534 -2.801 0.863 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.829 -2.304 0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.341 -3.887 0.110 1.00 0.00 H new ATOM 1070 N ARG A 66 1.360 -4.222 -3.816 1.00 0.00 N ATOM 1071 CA ARG A 66 0.094 -4.793 -4.155 1.00 0.00 C ATOM 1072 C ARG A 66 -0.264 -5.909 -3.202 1.00 0.00 C ATOM 1073 O ARG A 66 0.602 -6.560 -2.619 1.00 0.00 O ATOM 1074 CB ARG A 66 0.124 -5.295 -5.573 1.00 0.00 C ATOM 1075 CG ARG A 66 0.899 -6.577 -5.776 1.00 0.00 C ATOM 1076 CD ARG A 66 -0.049 -7.679 -6.180 1.00 0.00 C ATOM 1077 NE ARG A 66 -0.558 -7.478 -7.535 1.00 0.00 N ATOM 1078 CZ ARG A 66 -0.907 -8.464 -8.357 1.00 0.00 C ATOM 1079 NH1 ARG A 66 -0.751 -9.729 -7.990 1.00 0.00 N ATOM 1080 NH2 ARG A 66 -1.394 -8.179 -9.556 1.00 0.00 N ATOM 0 H ARG A 66 2.000 -4.864 -3.349 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.672 -4.022 -4.070 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.901 -5.449 -5.911 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.556 -4.522 -6.208 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.659 -6.437 -6.544 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.420 -6.849 -4.858 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.462 -8.640 -6.121 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.883 -7.718 -5.479 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.652 -6.520 -7.872 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.362 -9.950 -7.073 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.020 -10.481 -8.624 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.500 -7.207 -9.845 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.663 -8.932 -10.189 1.00 0.00 H new ATOM 1094 N ALA A 67 -1.546 -6.097 -3.043 1.00 0.00 N ATOM 1095 CA ALA A 67 -2.066 -7.214 -2.228 1.00 0.00 C ATOM 1096 C ALA A 67 -3.435 -7.678 -2.721 1.00 0.00 C ATOM 1097 O ALA A 67 -4.401 -6.928 -2.693 1.00 0.00 O ATOM 1098 CB ALA A 67 -2.115 -6.859 -0.733 1.00 0.00 C ATOM 0 H ALA A 67 -2.266 -5.505 -3.457 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.367 -8.042 -2.347 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.503 -7.708 -0.170 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.111 -6.620 -0.383 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.766 -5.997 -0.585 1.00 0.00 H new ATOM 1104 N GLU A 68 -3.510 -8.918 -3.177 1.00 0.00 N ATOM 1105 CA GLU A 68 -4.757 -9.470 -3.701 1.00 0.00 C ATOM 1106 C GLU A 68 -5.191 -10.695 -2.886 1.00 0.00 C ATOM 1107 O GLU A 68 -4.519 -11.731 -2.906 1.00 0.00 O ATOM 1108 CB GLU A 68 -4.586 -9.856 -5.173 1.00 0.00 C ATOM 1109 CG GLU A 68 -3.322 -10.654 -5.457 1.00 0.00 C ATOM 1110 CD GLU A 68 -3.381 -11.395 -6.776 1.00 0.00 C ATOM 1111 OE1 GLU A 68 -3.277 -12.639 -6.764 1.00 0.00 O ATOM 1112 OE2 GLU A 68 -3.538 -10.745 -7.829 1.00 0.00 O ATOM 0 H GLU A 68 -2.722 -9.566 -3.196 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.531 -8.707 -3.620 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.451 -10.439 -5.489 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.575 -8.949 -5.778 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.465 -9.980 -5.462 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.160 -11.369 -4.650 1.00 0.00 H new ATOM 1119 N GLU A 69 -6.307 -10.578 -2.174 1.00 0.00 N ATOM 1120 CA GLU A 69 -6.790 -11.662 -1.311 1.00 0.00 C ATOM 1121 C GLU A 69 -8.304 -11.619 -1.158 1.00 0.00 C ATOM 1122 O GLU A 69 -8.931 -10.581 -1.357 1.00 0.00 O ATOM 1123 CB GLU A 69 -6.165 -11.578 0.086 1.00 0.00 C ATOM 1124 CG GLU A 69 -4.692 -11.937 0.141 1.00 0.00 C ATOM 1125 CD GLU A 69 -4.169 -11.963 1.557 1.00 0.00 C ATOM 1126 OE1 GLU A 69 -4.387 -12.975 2.258 1.00 0.00 O ATOM 1127 OE2 GLU A 69 -3.536 -10.977 1.982 1.00 0.00 O ATOM 0 H GLU A 69 -6.897 -9.746 -2.174 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.497 -12.595 -1.792 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.293 -10.565 0.467 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.713 -12.242 0.755 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.539 -12.913 -0.320 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.121 -11.216 -0.443 1.00 0.00 H new ATOM 1134 N ARG A 70 -8.885 -12.753 -0.784 1.00 0.00 N ATOM 1135 CA ARG A 70 -10.303 -12.816 -0.463 1.00 0.00 C ATOM 1136 C ARG A 70 -10.472 -12.820 1.052 1.00 0.00 C ATOM 1137 O ARG A 70 -10.835 -13.831 1.652 1.00 0.00 O ATOM 1138 CB ARG A 70 -10.951 -14.064 -1.065 1.00 0.00 C ATOM 1139 CG ARG A 70 -12.472 -14.055 -0.984 1.00 0.00 C ATOM 1140 CD ARG A 70 -13.063 -15.403 -1.354 1.00 0.00 C ATOM 1141 NE ARG A 70 -12.603 -15.868 -2.658 1.00 0.00 N ATOM 1142 CZ ARG A 70 -13.040 -16.976 -3.248 1.00 0.00 C ATOM 1143 NH1 ARG A 70 -13.988 -17.710 -2.678 1.00 0.00 N ATOM 1144 NH2 ARG A 70 -12.529 -17.344 -4.415 1.00 0.00 N ATOM 0 H ARG A 70 -8.393 -13.642 -0.696 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.798 -11.944 -0.890 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.651 -14.152 -2.109 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.572 -14.946 -0.549 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -12.781 -13.788 0.027 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.867 -13.289 -1.651 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.795 -16.136 -0.593 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -14.151 -15.332 -1.359 1.00 0.00 H new ATOM 0 HE ARG A 70 -11.904 -15.309 -3.147 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -14.385 -17.425 -1.783 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -14.320 -18.559 -3.135 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -11.804 -16.778 -4.856 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.861 -18.193 -4.872 1.00 0.00 H new ATOM 1158 N ASN A 71 -10.186 -11.687 1.663 1.00 0.00 N ATOM 1159 CA ASN A 71 -10.236 -11.566 3.112 1.00 0.00 C ATOM 1160 C ASN A 71 -11.646 -11.191 3.552 1.00 0.00 C ATOM 1161 O ASN A 71 -12.345 -10.469 2.847 1.00 0.00 O ATOM 1162 CB ASN A 71 -9.219 -10.509 3.568 1.00 0.00 C ATOM 1163 CG ASN A 71 -8.958 -10.487 5.025 1.00 0.00 C ATOM 1164 OD1 ASN A 71 -9.821 -10.708 5.871 1.00 0.00 O ATOM 1165 ND2 ASN A 71 -7.720 -10.229 5.313 1.00 0.00 N ATOM 0 H ASN A 71 -9.915 -10.832 1.178 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.979 -12.520 3.572 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.277 -10.682 3.047 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.576 -9.526 3.262 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.418 -10.202 6.287 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.048 -10.054 4.566 1.00 0.00 H new ATOM 1172 N ASP A 72 -12.061 -11.715 4.703 1.00 0.00 N ATOM 1173 CA ASP A 72 -13.358 -11.389 5.298 1.00 0.00 C ATOM 1174 C ASP A 72 -13.473 -9.880 5.497 1.00 0.00 C ATOM 1175 O ASP A 72 -14.537 -9.293 5.311 1.00 0.00 O ATOM 1176 CB ASP A 72 -13.501 -12.111 6.645 1.00 0.00 C ATOM 1177 CG ASP A 72 -14.893 -12.014 7.244 1.00 0.00 C ATOM 1178 OD1 ASP A 72 -15.626 -13.024 7.219 1.00 0.00 O ATOM 1179 OD2 ASP A 72 -15.256 -10.941 7.769 1.00 0.00 O ATOM 0 H ASP A 72 -11.510 -12.377 5.250 1.00 0.00 H new ATOM 0 HA ASP A 72 -14.155 -11.717 4.630 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -13.244 -13.162 6.513 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -12.782 -11.693 7.349 1.00 0.00 H new ATOM 1184 N ASP A 73 -12.351 -9.270 5.854 1.00 0.00 N ATOM 1185 CA ASP A 73 -12.255 -7.827 6.018 1.00 0.00 C ATOM 1186 C ASP A 73 -11.344 -7.230 4.999 1.00 0.00 C ATOM 1187 O ASP A 73 -10.144 -7.491 4.938 1.00 0.00 O ATOM 1188 CB ASP A 73 -11.761 -7.450 7.416 1.00 0.00 C ATOM 1189 CG ASP A 73 -12.872 -7.343 8.436 1.00 0.00 C ATOM 1190 OD1 ASP A 73 -13.387 -6.226 8.643 1.00 0.00 O ATOM 1191 OD2 ASP A 73 -13.230 -8.368 9.046 1.00 0.00 O ATOM 0 H ASP A 73 -11.478 -9.765 6.039 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.260 -7.428 5.881 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.040 -8.195 7.752 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -11.234 -6.498 7.363 1.00 0.00 H new ATOM 1196 N LEU A 74 -11.987 -6.456 4.178 1.00 0.00 N ATOM 1197 CA LEU A 74 -11.376 -5.454 3.369 1.00 0.00 C ATOM 1198 C LEU A 74 -10.261 -4.772 4.097 1.00 0.00 C ATOM 1199 O LEU A 74 -9.138 -4.656 3.607 1.00 0.00 O ATOM 1200 CB LEU A 74 -12.460 -4.428 3.138 1.00 0.00 C ATOM 1201 CG LEU A 74 -12.032 -3.023 2.693 1.00 0.00 C ATOM 1202 CD1 LEU A 74 -11.112 -3.088 1.497 1.00 0.00 C ATOM 1203 CD2 LEU A 74 -13.254 -2.175 2.378 1.00 0.00 C ATOM 0 H LEU A 74 -12.998 -6.511 4.051 1.00 0.00 H new ATOM 0 HA LEU A 74 -10.970 -5.891 2.457 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -13.142 -4.825 2.386 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -13.029 -4.328 4.062 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.484 -2.559 3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.825 -2.078 1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -10.220 -3.659 1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -11.627 -3.574 0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -12.936 -1.181 2.064 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -13.825 -2.644 1.577 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -13.878 -2.092 3.268 1.00 0.00 H new ATOM 1215 N TYR A 75 -10.609 -4.317 5.284 1.00 0.00 N ATOM 1216 CA TYR A 75 -9.750 -3.452 6.005 1.00 0.00 C ATOM 1217 C TYR A 75 -8.551 -4.240 6.487 1.00 0.00 C ATOM 1218 O TYR A 75 -7.486 -3.699 6.740 1.00 0.00 O ATOM 1219 CB TYR A 75 -10.486 -2.775 7.153 1.00 0.00 C ATOM 1220 CG TYR A 75 -11.418 -1.805 6.680 1.00 0.00 C ATOM 1221 CD1 TYR A 75 -12.672 -1.799 7.173 1.00 0.00 C ATOM 1222 CD2 TYR A 75 -11.043 -0.905 5.743 1.00 0.00 C ATOM 1223 CE1 TYR A 75 -13.564 -0.908 6.743 1.00 0.00 C ATOM 1224 CE2 TYR A 75 -11.914 0.004 5.291 1.00 0.00 C ATOM 1225 CZ TYR A 75 -13.203 0.017 5.786 1.00 0.00 C ATOM 1226 OH TYR A 75 -14.117 0.937 5.324 1.00 0.00 O ATOM 0 H TYR A 75 -11.485 -4.543 5.755 1.00 0.00 H new ATOM 0 HA TYR A 75 -9.404 -2.653 5.349 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -11.010 -3.527 7.743 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -9.765 -2.295 7.815 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -12.956 -2.522 7.923 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -10.034 -0.920 5.357 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -14.567 -0.910 7.143 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -11.611 0.723 4.544 1.00 0.00 H new ATOM 0 HH TYR A 75 -14.763 1.141 6.033 1.00 0.00 H new ATOM 1236 N ALA A 76 -8.742 -5.551 6.538 1.00 0.00 N ATOM 1237 CA ALA A 76 -7.717 -6.473 6.956 1.00 0.00 C ATOM 1238 C ALA A 76 -6.825 -6.777 5.785 1.00 0.00 C ATOM 1239 O ALA A 76 -5.637 -7.035 5.942 1.00 0.00 O ATOM 1240 CB ALA A 76 -8.346 -7.751 7.451 1.00 0.00 C ATOM 0 H ALA A 76 -9.623 -6.000 6.287 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.135 -6.027 7.762 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.565 -8.443 7.765 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.998 -7.532 8.296 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -8.930 -8.203 6.650 1.00 0.00 H new ATOM 1246 N GLY A 77 -7.420 -6.755 4.599 1.00 0.00 N ATOM 1247 CA GLY A 77 -6.662 -6.970 3.403 1.00 0.00 C ATOM 1248 C GLY A 77 -5.793 -5.772 3.085 1.00 0.00 C ATOM 1249 O GLY A 77 -4.605 -5.898 2.788 1.00 0.00 O ATOM 0 H GLY A 77 -8.416 -6.591 4.454 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.037 -7.856 3.519 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.338 -7.164 2.570 1.00 0.00 H new ATOM 1253 N ILE A 78 -6.411 -4.602 3.149 1.00 0.00 N ATOM 1254 CA ILE A 78 -5.714 -3.366 2.994 1.00 0.00 C ATOM 1255 C ILE A 78 -4.749 -3.121 4.176 1.00 0.00 C ATOM 1256 O ILE A 78 -3.757 -2.451 4.004 1.00 0.00 O ATOM 1257 CB ILE A 78 -6.713 -2.184 2.823 1.00 0.00 C ATOM 1258 CG1 ILE A 78 -6.904 -1.858 1.336 1.00 0.00 C ATOM 1259 CG2 ILE A 78 -6.271 -0.936 3.581 1.00 0.00 C ATOM 1260 CD1 ILE A 78 -7.420 -3.015 0.509 1.00 0.00 C ATOM 0 H ILE A 78 -7.413 -4.499 3.311 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.113 -3.428 2.087 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.664 -2.504 3.250 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.598 -1.023 1.245 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -5.951 -1.527 0.923 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.001 -0.141 3.430 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.197 -1.163 4.644 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.299 -0.611 3.211 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.527 -2.701 -0.529 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.716 -3.846 0.566 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.389 -3.333 0.893 1.00 0.00 H new ATOM 1272 N ASP A 79 -5.030 -3.650 5.380 1.00 0.00 N ATOM 1273 CA ASP A 79 -4.039 -3.623 6.496 1.00 0.00 C ATOM 1274 C ASP A 79 -3.010 -4.695 6.335 1.00 0.00 C ATOM 1275 O ASP A 79 -1.915 -4.555 6.839 1.00 0.00 O ATOM 1276 CB ASP A 79 -4.702 -3.724 7.869 1.00 0.00 C ATOM 1277 CG ASP A 79 -5.167 -2.373 8.385 1.00 0.00 C ATOM 1278 OD1 ASP A 79 -6.303 -2.288 8.895 1.00 0.00 O ATOM 1279 OD2 ASP A 79 -4.398 -1.384 8.280 1.00 0.00 O ATOM 0 H ASP A 79 -5.917 -4.097 5.614 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.544 -2.653 6.444 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -5.554 -4.401 7.810 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.998 -4.159 8.579 1.00 0.00 H new ATOM 1284 N LEU A 80 -3.319 -5.750 5.625 1.00 0.00 N ATOM 1285 CA LEU A 80 -2.274 -6.661 5.234 1.00 0.00 C ATOM 1286 C LEU A 80 -1.302 -5.868 4.381 1.00 0.00 C ATOM 1287 O LEU A 80 -0.117 -5.784 4.688 1.00 0.00 O ATOM 1288 CB LEU A 80 -2.845 -7.869 4.469 1.00 0.00 C ATOM 1289 CG LEU A 80 -1.925 -9.097 4.328 1.00 0.00 C ATOM 1290 CD1 LEU A 80 -0.724 -8.804 3.439 1.00 0.00 C ATOM 1291 CD2 LEU A 80 -1.470 -9.582 5.696 1.00 0.00 C ATOM 0 H LEU A 80 -4.258 -5.996 5.313 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.769 -7.072 6.108 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.761 -8.186 4.968 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.125 -7.537 3.469 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.503 -9.887 3.849 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.100 -9.695 3.365 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.068 -8.518 2.445 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.143 -7.989 3.870 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.821 -10.450 5.577 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.923 -8.786 6.201 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.340 -9.858 6.292 1.00 0.00 H new ATOM 1303 N ILE A 81 -1.833 -5.246 3.332 1.00 0.00 N ATOM 1304 CA ILE A 81 -1.012 -4.425 2.473 1.00 0.00 C ATOM 1305 C ILE A 81 -0.438 -3.198 3.187 1.00 0.00 C ATOM 1306 O ILE A 81 0.723 -2.929 3.038 1.00 0.00 O ATOM 1307 CB ILE A 81 -1.755 -4.005 1.191 1.00 0.00 C ATOM 1308 CG1 ILE A 81 -0.737 -3.888 0.057 1.00 0.00 C ATOM 1309 CG2 ILE A 81 -2.516 -2.691 1.360 1.00 0.00 C ATOM 1310 CD1 ILE A 81 0.053 -2.597 0.069 1.00 0.00 C ATOM 0 H ILE A 81 -2.816 -5.298 3.065 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.169 -5.055 2.188 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.501 -4.766 0.961 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.044 -4.727 0.117 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.259 -3.974 -0.896 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.022 -2.441 0.427 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -3.254 -2.797 2.156 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.816 -1.896 1.618 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.753 -2.591 -0.766 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.629 -1.752 -0.023 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.605 -2.517 1.006 1.00 0.00 H new ATOM 1322 N ASN A 82 -1.239 -2.477 3.957 1.00 0.00 N ATOM 1323 CA ASN A 82 -0.816 -1.238 4.630 1.00 0.00 C ATOM 1324 C ASN A 82 0.303 -1.507 5.605 1.00 0.00 C ATOM 1325 O ASN A 82 1.277 -0.767 5.691 1.00 0.00 O ATOM 1326 CB ASN A 82 -1.998 -0.647 5.401 1.00 0.00 C ATOM 1327 CG ASN A 82 -1.599 0.373 6.449 1.00 0.00 C ATOM 1328 OD1 ASN A 82 -0.735 1.215 6.230 1.00 0.00 O ATOM 1329 ND2 ASN A 82 -2.218 0.277 7.619 1.00 0.00 N ATOM 0 H ASN A 82 -2.210 -2.729 4.140 1.00 0.00 H new ATOM 0 HA ASN A 82 -0.466 -0.541 3.868 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -2.683 -0.178 4.694 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -2.545 -1.456 5.885 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -1.980 0.918 8.376 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -2.932 -0.438 7.761 1.00 0.00 H new ATOM 1336 N ASN A 83 0.148 -2.575 6.337 1.00 0.00 N ATOM 1337 CA ASN A 83 1.068 -2.920 7.385 1.00 0.00 C ATOM 1338 C ASN A 83 2.340 -3.497 6.758 1.00 0.00 C ATOM 1339 O ASN A 83 3.464 -3.202 7.174 1.00 0.00 O ATOM 1340 CB ASN A 83 0.292 -3.874 8.299 1.00 0.00 C ATOM 1341 CG ASN A 83 0.818 -5.308 8.375 1.00 0.00 C ATOM 1342 OD1 ASN A 83 2.021 -5.561 8.481 1.00 0.00 O ATOM 1343 ND2 ASN A 83 -0.093 -6.264 8.307 1.00 0.00 N ATOM 0 H ASN A 83 -0.623 -3.233 6.223 1.00 0.00 H new ATOM 0 HA ASN A 83 1.418 -2.080 7.985 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.287 -3.456 9.306 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.744 -3.906 7.962 1.00 0.00 H new ATOM 0 HD21 ASN A 83 0.191 -7.243 8.342 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.080 -6.023 8.220 1.00 0.00 H new ATOM 1350 N LYS A 84 2.129 -4.305 5.723 1.00 0.00 N ATOM 1351 CA LYS A 84 3.232 -4.810 4.917 1.00 0.00 C ATOM 1352 C LYS A 84 3.824 -3.672 4.082 1.00 0.00 C ATOM 1353 O LYS A 84 4.962 -3.740 3.635 1.00 0.00 O ATOM 1354 CB LYS A 84 2.747 -5.955 4.022 1.00 0.00 C ATOM 1355 CG LYS A 84 3.842 -6.642 3.225 1.00 0.00 C ATOM 1356 CD LYS A 84 3.315 -7.897 2.549 1.00 0.00 C ATOM 1357 CE LYS A 84 4.371 -8.550 1.674 1.00 0.00 C ATOM 1358 NZ LYS A 84 4.715 -7.706 0.500 1.00 0.00 N ATOM 0 H LYS A 84 1.207 -4.622 5.425 1.00 0.00 H new ATOM 0 HA LYS A 84 4.012 -5.199 5.571 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.248 -6.698 4.644 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.001 -5.566 3.329 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.235 -5.957 2.474 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.670 -6.900 3.885 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.981 -8.606 3.307 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.445 -7.646 1.943 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.269 -8.735 2.264 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.010 -9.520 1.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.278 -8.262 -0.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.842 -7.382 0.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.266 -6.882 0.814 1.00 0.00 H new ATOM 1372 N LEU A 85 3.028 -2.628 3.892 1.00 0.00 N ATOM 1373 CA LEU A 85 3.449 -1.423 3.197 1.00 0.00 C ATOM 1374 C LEU A 85 4.347 -0.647 4.101 1.00 0.00 C ATOM 1375 O LEU A 85 5.433 -0.297 3.716 1.00 0.00 O ATOM 1376 CB LEU A 85 2.242 -0.565 2.770 1.00 0.00 C ATOM 1377 CG LEU A 85 2.552 0.709 1.972 1.00 0.00 C ATOM 1378 CD1 LEU A 85 1.357 1.090 1.114 1.00 0.00 C ATOM 1379 CD2 LEU A 85 2.905 1.866 2.898 1.00 0.00 C ATOM 0 H LEU A 85 2.063 -2.596 4.220 1.00 0.00 H new ATOM 0 HA LEU A 85 3.980 -1.702 2.287 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.576 -1.188 2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.692 -0.280 3.667 1.00 0.00 H new ATOM 0 HG LEU A 85 3.411 0.504 1.333 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.587 1.995 0.552 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.133 0.279 0.421 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.493 1.270 1.753 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.120 2.755 2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.066 2.068 3.564 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.782 1.604 3.489 1.00 0.00 H new ATOM 1391 N GLU A 86 3.894 -0.407 5.317 1.00 0.00 N ATOM 1392 CA GLU A 86 4.735 0.202 6.318 1.00 0.00 C ATOM 1393 C GLU A 86 6.069 -0.526 6.330 1.00 0.00 C ATOM 1394 O GLU A 86 7.128 0.089 6.218 1.00 0.00 O ATOM 1395 CB GLU A 86 4.052 0.105 7.679 1.00 0.00 C ATOM 1396 CG GLU A 86 4.787 0.827 8.792 1.00 0.00 C ATOM 1397 CD GLU A 86 4.133 0.611 10.138 1.00 0.00 C ATOM 1398 OE1 GLU A 86 4.288 -0.492 10.706 1.00 0.00 O ATOM 1399 OE2 GLU A 86 3.469 1.543 10.639 1.00 0.00 O ATOM 0 H GLU A 86 2.948 -0.626 5.631 1.00 0.00 H new ATOM 0 HA GLU A 86 4.902 1.255 6.093 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.045 0.514 7.598 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.949 -0.946 7.948 1.00 0.00 H new ATOM 0 HG2 GLU A 86 5.819 0.478 8.831 1.00 0.00 H new ATOM 0 HG3 GLU A 86 4.819 1.894 8.572 1.00 0.00 H new ATOM 1406 N ARG A 87 5.992 -1.857 6.385 1.00 0.00 N ATOM 1407 CA ARG A 87 7.198 -2.677 6.362 1.00 0.00 C ATOM 1408 C ARG A 87 8.011 -2.521 5.065 1.00 0.00 C ATOM 1409 O ARG A 87 9.228 -2.328 5.114 1.00 0.00 O ATOM 1410 CB ARG A 87 6.853 -4.129 6.593 1.00 0.00 C ATOM 1411 CG ARG A 87 6.859 -4.519 8.061 1.00 0.00 C ATOM 1412 CD ARG A 87 6.522 -5.988 8.255 1.00 0.00 C ATOM 1413 NE ARG A 87 5.120 -6.284 7.967 1.00 0.00 N ATOM 1414 CZ ARG A 87 4.701 -7.400 7.371 1.00 0.00 C ATOM 1415 NH1 ARG A 87 5.578 -8.300 6.937 1.00 0.00 N ATOM 1416 NH2 ARG A 87 3.402 -7.611 7.211 1.00 0.00 N ATOM 0 H ARG A 87 5.119 -2.381 6.445 1.00 0.00 H new ATOM 0 HA ARG A 87 7.832 -2.319 7.173 1.00 0.00 H new ATOM 0 HB2 ARG A 87 5.868 -4.333 6.174 1.00 0.00 H new ATOM 0 HB3 ARG A 87 7.564 -4.755 6.054 1.00 0.00 H new ATOM 0 HG2 ARG A 87 7.840 -4.311 8.488 1.00 0.00 H new ATOM 0 HG3 ARG A 87 6.139 -3.906 8.603 1.00 0.00 H new ATOM 0 HD2 ARG A 87 7.158 -6.592 7.607 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.747 -6.277 9.282 1.00 0.00 H new ATOM 0 HE ARG A 87 4.419 -5.594 8.239 1.00 0.00 H new ATOM 0 HH11 ARG A 87 6.578 -8.138 7.059 1.00 0.00 H new ATOM 0 HH12 ARG A 87 5.251 -9.152 6.482 1.00 0.00 H new ATOM 0 HH21 ARG A 87 2.728 -6.921 7.543 1.00 0.00 H new ATOM 0 HH22 ARG A 87 3.076 -8.463 6.755 1.00 0.00 H new ATOM 1430 N GLN A 88 7.348 -2.542 3.912 1.00 0.00 N ATOM 1431 CA GLN A 88 8.055 -2.627 2.633 1.00 0.00 C ATOM 1432 C GLN A 88 8.528 -1.250 2.256 1.00 0.00 C ATOM 1433 O GLN A 88 9.629 -1.043 1.750 1.00 0.00 O ATOM 1434 CB GLN A 88 7.128 -3.145 1.529 1.00 0.00 C ATOM 1435 CG GLN A 88 7.744 -4.232 0.659 1.00 0.00 C ATOM 1436 CD GLN A 88 8.985 -3.770 -0.077 1.00 0.00 C ATOM 1437 OE1 GLN A 88 10.101 -3.887 0.427 1.00 0.00 O ATOM 1438 NE2 GLN A 88 8.802 -3.250 -1.279 1.00 0.00 N ATOM 0 H GLN A 88 6.332 -2.502 3.834 1.00 0.00 H new ATOM 0 HA GLN A 88 8.893 -3.316 2.739 1.00 0.00 H new ATOM 0 HB2 GLN A 88 6.218 -3.533 1.986 1.00 0.00 H new ATOM 0 HB3 GLN A 88 6.835 -2.309 0.894 1.00 0.00 H new ATOM 0 HG2 GLN A 88 7.997 -5.089 1.283 1.00 0.00 H new ATOM 0 HG3 GLN A 88 7.004 -4.572 -0.066 1.00 0.00 H new ATOM 0 HE21 GLN A 88 7.860 -3.170 -1.662 1.00 0.00 H new ATOM 0 HE22 GLN A 88 9.603 -2.929 -1.823 1.00 0.00 H new ATOM 1447 N VAL A 89 7.654 -0.321 2.534 1.00 0.00 N ATOM 1448 CA VAL A 89 7.863 1.061 2.249 1.00 0.00 C ATOM 1449 C VAL A 89 9.011 1.602 3.083 1.00 0.00 C ATOM 1450 O VAL A 89 9.857 2.342 2.583 1.00 0.00 O ATOM 1451 CB VAL A 89 6.554 1.844 2.486 1.00 0.00 C ATOM 1452 CG1 VAL A 89 6.661 2.844 3.632 1.00 0.00 C ATOM 1453 CG2 VAL A 89 6.103 2.528 1.205 1.00 0.00 C ATOM 0 H VAL A 89 6.756 -0.516 2.976 1.00 0.00 H new ATOM 0 HA VAL A 89 8.140 1.183 1.202 1.00 0.00 H new ATOM 0 HB VAL A 89 5.798 1.117 2.783 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.711 3.364 3.751 1.00 0.00 H new ATOM 0 HG12 VAL A 89 6.904 2.316 4.554 1.00 0.00 H new ATOM 0 HG13 VAL A 89 7.445 3.568 3.411 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.179 3.075 1.391 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.875 3.222 0.872 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.932 1.778 0.433 1.00 0.00 H new ATOM 1463 N ARG A 90 9.061 1.199 4.347 1.00 0.00 N ATOM 1464 CA ARG A 90 10.165 1.620 5.206 1.00 0.00 C ATOM 1465 C ARG A 90 11.411 0.818 4.887 1.00 0.00 C ATOM 1466 O ARG A 90 12.514 1.321 5.029 1.00 0.00 O ATOM 1467 CB ARG A 90 9.853 1.531 6.705 1.00 0.00 C ATOM 1468 CG ARG A 90 9.870 0.125 7.287 1.00 0.00 C ATOM 1469 CD ARG A 90 9.415 0.122 8.741 1.00 0.00 C ATOM 1470 NE ARG A 90 10.182 1.057 9.566 1.00 0.00 N ATOM 1471 CZ ARG A 90 9.800 1.477 10.773 1.00 0.00 C ATOM 1472 NH1 ARG A 90 8.685 1.007 11.322 1.00 0.00 N ATOM 1473 NH2 ARG A 90 10.544 2.354 11.435 1.00 0.00 N ATOM 0 H ARG A 90 8.370 0.596 4.793 1.00 0.00 H new ATOM 0 HA ARG A 90 10.330 2.676 4.990 1.00 0.00 H new ATOM 0 HB2 ARG A 90 10.576 2.140 7.247 1.00 0.00 H new ATOM 0 HB3 ARG A 90 8.871 1.969 6.882 1.00 0.00 H new ATOM 0 HG2 ARG A 90 9.219 -0.522 6.699 1.00 0.00 H new ATOM 0 HG3 ARG A 90 10.877 -0.287 7.218 1.00 0.00 H new ATOM 0 HD2 ARG A 90 8.358 0.382 8.789 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.515 -0.884 9.148 1.00 0.00 H new ATOM 0 HE ARG A 90 11.064 1.409 9.194 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.119 0.323 10.820 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.396 1.330 12.245 1.00 0.00 H new ATOM 0 HH21 ARG A 90 11.407 2.706 11.021 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.253 2.676 12.358 1.00 0.00 H new ATOM 1487 N LYS A 91 11.236 -0.422 4.438 1.00 0.00 N ATOM 1488 CA LYS A 91 12.363 -1.227 3.998 1.00 0.00 C ATOM 1489 C LYS A 91 13.098 -0.453 2.934 1.00 0.00 C ATOM 1490 O LYS A 91 14.284 -0.156 3.034 1.00 0.00 O ATOM 1491 CB LYS A 91 11.875 -2.536 3.378 1.00 0.00 C ATOM 1492 CG LYS A 91 12.902 -3.656 3.389 1.00 0.00 C ATOM 1493 CD LYS A 91 12.356 -4.899 2.709 1.00 0.00 C ATOM 1494 CE LYS A 91 13.362 -6.038 2.716 1.00 0.00 C ATOM 1495 NZ LYS A 91 12.822 -7.253 2.049 1.00 0.00 N ATOM 0 H LYS A 91 10.330 -0.885 4.371 1.00 0.00 H new ATOM 0 HA LYS A 91 13.004 -1.450 4.851 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.986 -2.869 3.914 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.573 -2.346 2.348 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.809 -3.328 2.882 1.00 0.00 H new ATOM 0 HG3 LYS A 91 13.179 -3.891 4.417 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.444 -5.217 3.213 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.085 -4.661 1.681 1.00 0.00 H new ATOM 0 HE2 LYS A 91 14.274 -5.721 2.211 1.00 0.00 H new ATOM 0 HE3 LYS A 91 13.633 -6.277 3.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.536 -8.009 2.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.965 -7.570 2.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.586 -7.031 1.061 1.00 0.00 H new ATOM 1509 N TYR A 92 12.318 -0.079 1.948 1.00 0.00 N ATOM 1510 CA TYR A 92 12.817 0.556 0.754 1.00 0.00 C ATOM 1511 C TYR A 92 13.331 1.963 1.041 1.00 0.00 C ATOM 1512 O TYR A 92 14.492 2.272 0.770 1.00 0.00 O ATOM 1513 CB TYR A 92 11.696 0.591 -0.277 1.00 0.00 C ATOM 1514 CG TYR A 92 12.159 0.971 -1.667 1.00 0.00 C ATOM 1515 CD1 TYR A 92 12.711 0.023 -2.516 1.00 0.00 C ATOM 1516 CD2 TYR A 92 12.047 2.278 -2.128 1.00 0.00 C ATOM 1517 CE1 TYR A 92 13.136 0.364 -3.784 1.00 0.00 C ATOM 1518 CE2 TYR A 92 12.471 2.624 -3.395 1.00 0.00 C ATOM 1519 CZ TYR A 92 13.015 1.664 -4.219 1.00 0.00 C ATOM 1520 OH TYR A 92 13.437 2.006 -5.487 1.00 0.00 O ATOM 0 H TYR A 92 11.306 -0.209 1.953 1.00 0.00 H new ATOM 0 HA TYR A 92 13.661 -0.016 0.369 1.00 0.00 H new ATOM 0 HB2 TYR A 92 11.221 -0.389 -0.317 1.00 0.00 H new ATOM 0 HB3 TYR A 92 10.936 1.301 0.050 1.00 0.00 H new ATOM 0 HD1 TYR A 92 12.810 -0.998 -2.179 1.00 0.00 H new ATOM 0 HD2 TYR A 92 11.622 3.034 -1.485 1.00 0.00 H new ATOM 0 HE1 TYR A 92 13.562 -0.387 -4.433 1.00 0.00 H new ATOM 0 HE2 TYR A 92 12.377 3.643 -3.739 1.00 0.00 H new ATOM 0 HH TYR A 92 13.280 2.962 -5.637 1.00 0.00 H new ATOM 1530 N LYS A 93 12.470 2.811 1.603 1.00 0.00 N ATOM 1531 CA LYS A 93 12.824 4.207 1.812 1.00 0.00 C ATOM 1532 C LYS A 93 13.958 4.325 2.827 1.00 0.00 C ATOM 1533 O LYS A 93 14.885 5.101 2.636 1.00 0.00 O ATOM 1534 CB LYS A 93 11.592 5.042 2.224 1.00 0.00 C ATOM 1535 CG LYS A 93 11.225 4.995 3.706 1.00 0.00 C ATOM 1536 CD LYS A 93 11.912 6.102 4.501 1.00 0.00 C ATOM 1537 CE LYS A 93 11.415 7.485 4.102 1.00 0.00 C ATOM 1538 NZ LYS A 93 12.229 8.562 4.722 1.00 0.00 N ATOM 0 H LYS A 93 11.534 2.556 1.917 1.00 0.00 H new ATOM 0 HA LYS A 93 13.181 4.616 0.867 1.00 0.00 H new ATOM 0 HB2 LYS A 93 11.771 6.081 1.946 1.00 0.00 H new ATOM 0 HB3 LYS A 93 10.734 4.700 1.645 1.00 0.00 H new ATOM 0 HG2 LYS A 93 10.144 5.088 3.815 1.00 0.00 H new ATOM 0 HG3 LYS A 93 11.505 4.026 4.118 1.00 0.00 H new ATOM 0 HD2 LYS A 93 11.735 5.947 5.565 1.00 0.00 H new ATOM 0 HD3 LYS A 93 12.989 6.045 4.345 1.00 0.00 H new ATOM 0 HE2 LYS A 93 11.447 7.584 3.017 1.00 0.00 H new ATOM 0 HE3 LYS A 93 10.373 7.598 4.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 11.915 9.486 4.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 12.111 8.535 5.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 13.231 8.420 4.484 1.00 0.00 H new ATOM 1552 N THR A 94 13.911 3.523 3.885 1.00 0.00 N ATOM 1553 CA THR A 94 14.943 3.574 4.904 1.00 0.00 C ATOM 1554 C THR A 94 16.262 3.024 4.358 1.00 0.00 C ATOM 1555 O THR A 94 17.327 3.580 4.627 1.00 0.00 O ATOM 1556 CB THR A 94 14.514 2.825 6.190 1.00 0.00 C ATOM 1557 OG1 THR A 94 13.462 3.551 6.836 1.00 0.00 O ATOM 1558 CG2 THR A 94 15.678 2.642 7.155 1.00 0.00 C ATOM 0 H THR A 94 13.175 2.837 4.055 1.00 0.00 H new ATOM 0 HA THR A 94 15.093 4.619 5.176 1.00 0.00 H new ATOM 0 HB THR A 94 14.165 1.834 5.900 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.189 3.077 7.649 1.00 0.00 H new ATOM 0 HG21 THR A 94 15.334 2.112 8.044 1.00 0.00 H new ATOM 0 HG22 THR A 94 16.465 2.065 6.670 1.00 0.00 H new ATOM 0 HG23 THR A 94 16.069 3.618 7.443 1.00 0.00 H new ATOM 1566 N ARG A 95 16.187 1.960 3.561 1.00 0.00 N ATOM 1567 CA ARG A 95 17.384 1.393 2.946 1.00 0.00 C ATOM 1568 C ARG A 95 18.007 2.370 1.949 1.00 0.00 C ATOM 1569 O ARG A 95 19.230 2.531 1.912 1.00 0.00 O ATOM 1570 CB ARG A 95 17.054 0.077 2.246 1.00 0.00 C ATOM 1571 CG ARG A 95 18.257 -0.624 1.642 1.00 0.00 C ATOM 1572 CD ARG A 95 17.846 -1.908 0.949 1.00 0.00 C ATOM 1573 NE ARG A 95 16.911 -1.659 -0.146 1.00 0.00 N ATOM 1574 CZ ARG A 95 15.753 -2.301 -0.307 1.00 0.00 C ATOM 1575 NH1 ARG A 95 15.352 -3.203 0.581 1.00 0.00 N ATOM 1576 NH2 ARG A 95 14.987 -2.024 -1.353 1.00 0.00 N ATOM 0 H ARG A 95 15.319 1.478 3.328 1.00 0.00 H new ATOM 0 HA ARG A 95 18.107 1.203 3.739 1.00 0.00 H new ATOM 0 HB2 ARG A 95 16.578 -0.593 2.962 1.00 0.00 H new ATOM 0 HB3 ARG A 95 16.326 0.270 1.458 1.00 0.00 H new ATOM 0 HG2 ARG A 95 18.748 0.038 0.928 1.00 0.00 H new ATOM 0 HG3 ARG A 95 18.984 -0.845 2.424 1.00 0.00 H new ATOM 0 HD2 ARG A 95 18.732 -2.412 0.563 1.00 0.00 H new ATOM 0 HD3 ARG A 95 17.387 -2.581 1.673 1.00 0.00 H new ATOM 0 HE ARG A 95 17.160 -0.947 -0.833 1.00 0.00 H new ATOM 0 HH11 ARG A 95 15.931 -3.410 1.395 1.00 0.00 H new ATOM 0 HH12 ARG A 95 14.465 -3.689 0.449 1.00 0.00 H new ATOM 0 HH21 ARG A 95 15.284 -1.322 -2.031 1.00 0.00 H new ATOM 0 HH22 ARG A 95 14.101 -2.513 -1.480 1.00 0.00 H new ATOM 1590 N ILE A 96 17.172 3.025 1.140 1.00 0.00 N ATOM 1591 CA ILE A 96 17.682 3.950 0.131 1.00 0.00 C ATOM 1592 C ILE A 96 18.200 5.243 0.778 1.00 0.00 C ATOM 1593 O ILE A 96 19.214 5.795 0.348 1.00 0.00 O ATOM 1594 CB ILE A 96 16.627 4.267 -0.964 1.00 0.00 C ATOM 1595 CG1 ILE A 96 17.289 4.918 -2.183 1.00 0.00 C ATOM 1596 CG2 ILE A 96 15.521 5.166 -0.433 1.00 0.00 C ATOM 1597 CD1 ILE A 96 18.244 4.000 -2.919 1.00 0.00 C ATOM 0 H ILE A 96 16.156 2.934 1.163 1.00 0.00 H new ATOM 0 HA ILE A 96 18.517 3.451 -0.361 1.00 0.00 H new ATOM 0 HB ILE A 96 16.179 3.320 -1.266 1.00 0.00 H new ATOM 0 HG12 ILE A 96 16.513 5.250 -2.873 1.00 0.00 H new ATOM 0 HG13 ILE A 96 17.830 5.807 -1.860 1.00 0.00 H new ATOM 0 HG21 ILE A 96 14.802 5.366 -1.227 1.00 0.00 H new ATOM 0 HG22 ILE A 96 15.017 4.671 0.397 1.00 0.00 H new ATOM 0 HG23 ILE A 96 15.951 6.106 -0.088 1.00 0.00 H new ATOM 0 HD11 ILE A 96 18.674 4.529 -3.769 1.00 0.00 H new ATOM 0 HD12 ILE A 96 19.041 3.688 -2.244 1.00 0.00 H new ATOM 0 HD13 ILE A 96 17.704 3.122 -3.273 1.00 0.00 H new ATOM 1609 N ASN A 97 17.526 5.707 1.831 1.00 0.00 N ATOM 1610 CA ASN A 97 17.980 6.890 2.560 1.00 0.00 C ATOM 1611 C ASN A 97 19.262 6.574 3.312 1.00 0.00 C ATOM 1612 O ASN A 97 20.123 7.435 3.482 1.00 0.00 O ATOM 1613 CB ASN A 97 16.920 7.389 3.550 1.00 0.00 C ATOM 1614 CG ASN A 97 15.660 7.914 2.883 1.00 0.00 C ATOM 1615 OD1 ASN A 97 14.573 7.856 3.459 1.00 0.00 O ATOM 1616 ND2 ASN A 97 15.787 8.428 1.669 1.00 0.00 N ATOM 0 H ASN A 97 16.671 5.286 2.195 1.00 0.00 H new ATOM 0 HA ASN A 97 18.160 7.678 1.829 1.00 0.00 H new ATOM 0 HB2 ASN A 97 16.652 6.574 4.223 1.00 0.00 H new ATOM 0 HB3 ASN A 97 17.352 8.180 4.163 1.00 0.00 H new ATOM 0 HD21 ASN A 97 14.969 8.792 1.181 1.00 0.00 H new ATOM 0 HD22 ASN A 97 16.703 8.460 1.222 1.00 0.00 H new ATOM 1623 N ARG A 98 19.380 5.322 3.743 1.00 0.00 N ATOM 1624 CA ARG A 98 20.562 4.844 4.449 1.00 0.00 C ATOM 1625 C ARG A 98 21.816 4.984 3.585 1.00 0.00 C ATOM 1626 O ARG A 98 22.923 5.139 4.098 1.00 0.00 O ATOM 1627 CB ARG A 98 20.357 3.380 4.849 1.00 0.00 C ATOM 1628 CG ARG A 98 21.479 2.800 5.687 1.00 0.00 C ATOM 1629 CD ARG A 98 21.213 1.344 6.025 1.00 0.00 C ATOM 1630 NE ARG A 98 22.310 0.751 6.783 1.00 0.00 N ATOM 1631 CZ ARG A 98 23.244 -0.034 6.255 1.00 0.00 C ATOM 1632 NH1 ARG A 98 23.223 -0.323 4.958 1.00 0.00 N ATOM 1633 NH2 ARG A 98 24.202 -0.526 7.027 1.00 0.00 N ATOM 0 H ARG A 98 18.660 4.612 3.613 1.00 0.00 H new ATOM 0 HA ARG A 98 20.704 5.452 5.342 1.00 0.00 H new ATOM 0 HB2 ARG A 98 19.423 3.294 5.404 1.00 0.00 H new ATOM 0 HB3 ARG A 98 20.247 2.781 3.945 1.00 0.00 H new ATOM 0 HG2 ARG A 98 22.422 2.885 5.146 1.00 0.00 H new ATOM 0 HG3 ARG A 98 21.586 3.376 6.606 1.00 0.00 H new ATOM 0 HD2 ARG A 98 20.291 1.268 6.601 1.00 0.00 H new ATOM 0 HD3 ARG A 98 21.061 0.780 5.105 1.00 0.00 H new ATOM 0 HE ARG A 98 22.364 0.952 7.782 1.00 0.00 H new ATOM 0 HH11 ARG A 98 22.488 0.058 4.362 1.00 0.00 H new ATOM 0 HH12 ARG A 98 23.942 -0.926 4.558 1.00 0.00 H new ATOM 0 HH21 ARG A 98 24.221 -0.302 8.022 1.00 0.00 H new ATOM 0 HH22 ARG A 98 24.921 -1.129 6.626 1.00 0.00 H new