USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 451 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 37 CYS SG : rot 169:sc= -1.08 USER MOD Set 1.2: A 39 HIS : no HE2:sc= -1.41 K(o=-2.1,f=-3.5) USER MOD Set 1.3: A 62 CYS SG : rot 60:sc= 0.686 USER MOD Set 1.4: A 65 CYS SG : rot -53:sc= -0.296 USER MOD Set 2.1: A 22 CYS SG : rot 80:sc= 0.67 USER MOD Set 2.2: A 25 CYS SG : rot -60:sc= -0.412 USER MOD Set 2.3: A 42 CYS SG : rot 72:sc= 0.908 USER MOD Set 2.4: A 45 CYS SG : rot 125:sc= -0.226 USER MOD Set 3.1: A 15 MET CE :methyl -154:sc= 0 (180deg=-0.371) USER MOD Set 3.2: A 17 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0121) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 36:sc= 1.25 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 43:sc= 0.767 USER MOD Single : A 21 THR OG1 : rot 27:sc= 0.252 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= -0.614 USER MOD Single : A 38 ASN : amide:sc= -0.225 K(o=-0.23,f=-2.4!) USER MOD Single : A 40 SER OG : rot 180:sc= -0.64 USER MOD Single : A 47 THR OG1 : rot 81:sc= 1.26 USER MOD Single : A 49 ASN :FLIP amide:sc= -2.5! C(o=-3.1!,f=-2.5!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -6.26! C(o=-6.3!,f=-8.3!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N GLY A 4 12.552 11.377 -20.962 1.00 0.00 N ATOM 31 CA GLY A 4 13.458 10.354 -20.474 1.00 0.00 C ATOM 32 C GLY A 4 13.328 9.051 -21.238 1.00 0.00 C ATOM 33 O GLY A 4 12.395 8.874 -22.021 1.00 0.00 O ATOM 0 HA2 GLY A 4 14.484 10.715 -20.550 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.261 10.173 -19.417 1.00 0.00 H new ATOM 37 N SER A 5 14.267 8.138 -21.013 1.00 0.00 N ATOM 38 CA SER A 5 14.256 6.847 -21.691 1.00 0.00 C ATOM 39 C SER A 5 15.260 5.891 -21.054 1.00 0.00 C ATOM 40 O SER A 5 16.220 6.318 -20.413 1.00 0.00 O ATOM 41 CB SER A 5 14.576 7.025 -23.177 1.00 0.00 C ATOM 42 OG SER A 5 15.942 7.348 -23.369 1.00 0.00 O ATOM 0 H SER A 5 15.045 8.268 -20.366 1.00 0.00 H new ATOM 0 HA SER A 5 13.258 6.419 -21.590 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.336 6.108 -23.716 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.950 7.814 -23.595 1.00 0.00 H new ATOM 0 HG SER A 5 16.121 7.455 -24.326 1.00 0.00 H new ATOM 48 N SER A 6 15.030 4.594 -21.236 1.00 0.00 N ATOM 49 CA SER A 6 15.911 3.576 -20.677 1.00 0.00 C ATOM 50 C SER A 6 15.569 2.197 -21.232 1.00 0.00 C ATOM 51 O SER A 6 14.568 2.026 -21.926 1.00 0.00 O ATOM 52 CB SER A 6 15.807 3.564 -19.151 1.00 0.00 C ATOM 53 OG SER A 6 16.652 4.545 -18.574 1.00 0.00 O ATOM 0 H SER A 6 14.241 4.224 -21.766 1.00 0.00 H new ATOM 0 HA SER A 6 16.934 3.820 -20.963 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.775 3.747 -18.852 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.078 2.578 -18.773 1.00 0.00 H new ATOM 0 HG SER A 6 16.672 5.339 -19.149 1.00 0.00 H new ATOM 59 N GLY A 7 16.409 1.215 -20.920 1.00 0.00 N ATOM 60 CA GLY A 7 16.179 -0.137 -21.396 1.00 0.00 C ATOM 61 C GLY A 7 17.020 -1.161 -20.660 1.00 0.00 C ATOM 62 O GLY A 7 18.118 -0.855 -20.197 1.00 0.00 O ATOM 0 H GLY A 7 17.244 1.331 -20.346 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.124 -0.386 -21.279 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.402 -0.187 -22.462 1.00 0.00 H new ATOM 66 N MET A 8 16.503 -2.381 -20.550 1.00 0.00 N ATOM 67 CA MET A 8 17.214 -3.453 -19.864 1.00 0.00 C ATOM 68 C MET A 8 16.964 -4.794 -20.546 1.00 0.00 C ATOM 69 O MET A 8 16.080 -4.915 -21.393 1.00 0.00 O ATOM 70 CB MET A 8 16.781 -3.525 -18.398 1.00 0.00 C ATOM 71 CG MET A 8 17.622 -2.662 -17.473 1.00 0.00 C ATOM 72 SD MET A 8 16.910 -2.514 -15.823 1.00 0.00 S ATOM 73 CE MET A 8 18.377 -2.668 -14.806 1.00 0.00 C ATOM 0 H MET A 8 15.595 -2.651 -20.927 1.00 0.00 H new ATOM 0 HA MET A 8 18.281 -3.235 -19.910 1.00 0.00 H new ATOM 0 HB2 MET A 8 15.738 -3.217 -18.320 1.00 0.00 H new ATOM 0 HB3 MET A 8 16.834 -4.561 -18.063 1.00 0.00 H new ATOM 0 HG2 MET A 8 18.623 -3.087 -17.396 1.00 0.00 H new ATOM 0 HG3 MET A 8 17.730 -1.669 -17.908 1.00 0.00 H new ATOM 0 HE1 MET A 8 18.100 -2.596 -13.754 1.00 0.00 H new ATOM 0 HE2 MET A 8 18.849 -3.633 -14.992 1.00 0.00 H new ATOM 0 HE3 MET A 8 19.076 -1.869 -15.052 1.00 0.00 H new ATOM 83 N ALA A 9 17.750 -5.799 -20.172 1.00 0.00 N ATOM 84 CA ALA A 9 17.613 -7.131 -20.748 1.00 0.00 C ATOM 85 C ALA A 9 16.435 -7.877 -20.130 1.00 0.00 C ATOM 86 O ALA A 9 15.952 -7.515 -19.057 1.00 0.00 O ATOM 87 CB ALA A 9 18.899 -7.922 -20.559 1.00 0.00 C ATOM 0 H ALA A 9 18.488 -5.716 -19.473 1.00 0.00 H new ATOM 0 HA ALA A 9 17.420 -7.021 -21.815 1.00 0.00 H new ATOM 0 HB1 ALA A 9 18.783 -8.915 -20.994 1.00 0.00 H new ATOM 0 HB2 ALA A 9 19.721 -7.404 -21.053 1.00 0.00 H new ATOM 0 HB3 ALA A 9 19.116 -8.015 -19.495 1.00 0.00 H new ATOM 93 N SER A 10 15.976 -8.920 -20.814 1.00 0.00 N ATOM 94 CA SER A 10 14.851 -9.714 -20.335 1.00 0.00 C ATOM 95 C SER A 10 15.226 -11.191 -20.248 1.00 0.00 C ATOM 96 O SER A 10 15.004 -11.955 -21.188 1.00 0.00 O ATOM 97 CB SER A 10 13.644 -9.536 -21.257 1.00 0.00 C ATOM 98 OG SER A 10 13.294 -8.169 -21.381 1.00 0.00 O ATOM 0 H SER A 10 16.366 -9.235 -21.702 1.00 0.00 H new ATOM 0 HA SER A 10 14.591 -9.364 -19.336 1.00 0.00 H new ATOM 0 HB2 SER A 10 13.870 -9.947 -22.241 1.00 0.00 H new ATOM 0 HB3 SER A 10 12.796 -10.097 -20.864 1.00 0.00 H new ATOM 0 HG SER A 10 12.521 -8.082 -21.977 1.00 0.00 H new ATOM 104 N SER A 11 15.797 -11.584 -19.114 1.00 0.00 N ATOM 105 CA SER A 11 16.207 -12.968 -18.905 1.00 0.00 C ATOM 106 C SER A 11 15.457 -13.585 -17.728 1.00 0.00 C ATOM 107 O SER A 11 15.862 -13.440 -16.575 1.00 0.00 O ATOM 108 CB SER A 11 17.715 -13.043 -18.660 1.00 0.00 C ATOM 109 OG SER A 11 18.090 -12.259 -17.541 1.00 0.00 O ATOM 0 H SER A 11 15.986 -10.964 -18.326 1.00 0.00 H new ATOM 0 HA SER A 11 15.964 -13.534 -19.804 1.00 0.00 H new ATOM 0 HB2 SER A 11 18.009 -14.080 -18.496 1.00 0.00 H new ATOM 0 HB3 SER A 11 18.248 -12.697 -19.545 1.00 0.00 H new ATOM 0 HG SER A 11 17.445 -12.395 -16.816 1.00 0.00 H new ATOM 115 N VAL A 12 14.361 -14.274 -18.029 1.00 0.00 N ATOM 116 CA VAL A 12 13.554 -14.915 -16.997 1.00 0.00 C ATOM 117 C VAL A 12 13.588 -16.433 -17.136 1.00 0.00 C ATOM 118 O VAL A 12 13.837 -16.962 -18.220 1.00 0.00 O ATOM 119 CB VAL A 12 12.091 -14.438 -17.053 1.00 0.00 C ATOM 120 CG1 VAL A 12 12.011 -12.933 -16.845 1.00 0.00 C ATOM 121 CG2 VAL A 12 11.451 -14.837 -18.373 1.00 0.00 C ATOM 0 H VAL A 12 14.011 -14.403 -18.979 1.00 0.00 H new ATOM 0 HA VAL A 12 13.985 -14.632 -16.037 1.00 0.00 H new ATOM 0 HB VAL A 12 11.539 -14.921 -16.247 1.00 0.00 H new ATOM 0 HG11 VAL A 12 10.969 -12.615 -16.888 1.00 0.00 H new ATOM 0 HG12 VAL A 12 12.429 -12.678 -15.871 1.00 0.00 H new ATOM 0 HG13 VAL A 12 12.578 -12.427 -17.627 1.00 0.00 H new ATOM 0 HG21 VAL A 12 10.417 -14.492 -18.395 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.003 -14.384 -19.197 1.00 0.00 H new ATOM 0 HG23 VAL A 12 11.473 -15.922 -18.475 1.00 0.00 H new ATOM 131 N LEU A 13 13.337 -17.128 -16.033 1.00 0.00 N ATOM 132 CA LEU A 13 13.338 -18.587 -16.030 1.00 0.00 C ATOM 133 C LEU A 13 12.062 -19.133 -16.662 1.00 0.00 C ATOM 134 O LEU A 13 10.989 -18.546 -16.524 1.00 0.00 O ATOM 135 CB LEU A 13 13.480 -19.114 -14.602 1.00 0.00 C ATOM 136 CG LEU A 13 14.841 -18.900 -13.939 1.00 0.00 C ATOM 137 CD1 LEU A 13 14.885 -17.554 -13.233 1.00 0.00 C ATOM 138 CD2 LEU A 13 15.141 -20.027 -12.962 1.00 0.00 C ATOM 0 H LEU A 13 13.130 -16.705 -15.128 1.00 0.00 H new ATOM 0 HA LEU A 13 14.188 -18.927 -16.621 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.718 -18.639 -13.984 1.00 0.00 H new ATOM 0 HB3 LEU A 13 13.265 -20.183 -14.608 1.00 0.00 H new ATOM 0 HG LEU A 13 15.607 -18.905 -14.715 1.00 0.00 H new ATOM 0 HD11 LEU A 13 15.861 -17.419 -12.767 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.716 -16.757 -13.958 1.00 0.00 H new ATOM 0 HD13 LEU A 13 14.110 -17.519 -12.468 1.00 0.00 H new ATOM 0 HD21 LEU A 13 16.113 -19.858 -12.499 1.00 0.00 H new ATOM 0 HD22 LEU A 13 14.372 -20.054 -12.190 1.00 0.00 H new ATOM 0 HD23 LEU A 13 15.153 -20.977 -13.495 1.00 0.00 H new ATOM 150 N GLU A 14 12.186 -20.261 -17.355 1.00 0.00 N ATOM 151 CA GLU A 14 11.042 -20.887 -18.006 1.00 0.00 C ATOM 152 C GLU A 14 9.910 -21.123 -17.010 1.00 0.00 C ATOM 153 O GLU A 14 10.126 -21.670 -15.928 1.00 0.00 O ATOM 154 CB GLU A 14 11.455 -22.213 -18.649 1.00 0.00 C ATOM 155 CG GLU A 14 12.192 -23.145 -17.703 1.00 0.00 C ATOM 156 CD GLU A 14 12.205 -24.581 -18.191 1.00 0.00 C ATOM 157 OE1 GLU A 14 12.685 -24.820 -19.318 1.00 0.00 O ATOM 158 OE2 GLU A 14 11.736 -25.465 -17.444 1.00 0.00 O ATOM 0 H GLU A 14 13.067 -20.759 -17.480 1.00 0.00 H new ATOM 0 HA GLU A 14 10.684 -20.211 -18.782 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.565 -22.718 -19.023 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.090 -22.007 -19.511 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.218 -22.797 -17.582 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.723 -23.104 -16.720 1.00 0.00 H new ATOM 165 N MET A 15 8.705 -20.707 -17.383 1.00 0.00 N ATOM 166 CA MET A 15 7.539 -20.874 -16.522 1.00 0.00 C ATOM 167 C MET A 15 6.261 -20.480 -17.256 1.00 0.00 C ATOM 168 O MET A 15 6.137 -19.357 -17.746 1.00 0.00 O ATOM 169 CB MET A 15 7.691 -20.034 -15.253 1.00 0.00 C ATOM 170 CG MET A 15 7.724 -18.537 -15.514 1.00 0.00 C ATOM 171 SD MET A 15 8.641 -17.631 -14.254 1.00 0.00 S ATOM 172 CE MET A 15 7.964 -15.985 -14.460 1.00 0.00 C ATOM 0 H MET A 15 8.510 -20.252 -18.275 1.00 0.00 H new ATOM 0 HA MET A 15 7.470 -21.926 -16.246 1.00 0.00 H new ATOM 0 HB2 MET A 15 6.865 -20.258 -14.578 1.00 0.00 H new ATOM 0 HB3 MET A 15 8.609 -20.326 -14.742 1.00 0.00 H new ATOM 0 HG2 MET A 15 8.175 -18.352 -16.489 1.00 0.00 H new ATOM 0 HG3 MET A 15 6.703 -18.157 -15.558 1.00 0.00 H new ATOM 0 HE1 MET A 15 8.693 -15.247 -14.126 1.00 0.00 H new ATOM 0 HE2 MET A 15 7.733 -15.816 -15.512 1.00 0.00 H new ATOM 0 HE3 MET A 15 7.054 -15.889 -13.868 1.00 0.00 H new ATOM 182 N ILE A 16 5.315 -21.410 -17.328 1.00 0.00 N ATOM 183 CA ILE A 16 4.047 -21.158 -18.002 1.00 0.00 C ATOM 184 C ILE A 16 3.059 -20.462 -17.072 1.00 0.00 C ATOM 185 O ILE A 16 2.434 -21.098 -16.223 1.00 0.00 O ATOM 186 CB ILE A 16 3.415 -22.465 -18.518 1.00 0.00 C ATOM 187 CG1 ILE A 16 4.260 -23.053 -19.650 1.00 0.00 C ATOM 188 CG2 ILE A 16 1.990 -22.214 -18.989 1.00 0.00 C ATOM 189 CD1 ILE A 16 3.980 -24.515 -19.916 1.00 0.00 C ATOM 0 H ILE A 16 5.402 -22.344 -16.928 1.00 0.00 H new ATOM 0 HA ILE A 16 4.264 -20.508 -18.850 1.00 0.00 H new ATOM 0 HB ILE A 16 3.385 -23.185 -17.700 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.077 -22.485 -20.562 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.315 -22.932 -19.405 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.557 -23.147 -19.351 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.394 -21.835 -18.159 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.997 -21.481 -19.795 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.614 -24.865 -20.730 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.190 -25.095 -19.017 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.933 -24.641 -20.192 1.00 0.00 H new ATOM 201 N LYS A 17 2.922 -19.151 -17.238 1.00 0.00 N ATOM 202 CA LYS A 17 2.008 -18.367 -16.417 1.00 0.00 C ATOM 203 C LYS A 17 0.672 -18.170 -17.126 1.00 0.00 C ATOM 204 O LYS A 17 0.621 -18.043 -18.349 1.00 0.00 O ATOM 205 CB LYS A 17 2.626 -17.007 -16.085 1.00 0.00 C ATOM 206 CG LYS A 17 2.222 -16.470 -14.723 1.00 0.00 C ATOM 207 CD LYS A 17 2.915 -17.223 -13.600 1.00 0.00 C ATOM 208 CE LYS A 17 4.277 -16.625 -13.284 1.00 0.00 C ATOM 209 NZ LYS A 17 5.113 -17.550 -12.470 1.00 0.00 N ATOM 0 H LYS A 17 3.433 -18.609 -17.935 1.00 0.00 H new ATOM 0 HA LYS A 17 1.831 -18.915 -15.491 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.712 -17.092 -16.125 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.334 -16.288 -16.851 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.471 -15.411 -14.660 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.142 -16.551 -14.604 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.291 -17.201 -12.707 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.033 -18.270 -13.881 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.795 -16.390 -14.214 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.146 -15.686 -12.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.013 -17.086 -12.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.608 -17.795 -11.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.303 -18.416 -13.014 1.00 0.00 H new ATOM 269 N THR A 21 1.372 -12.094 -15.323 1.00 0.00 N ATOM 270 CA THR A 21 2.653 -11.459 -15.038 1.00 0.00 C ATOM 271 C THR A 21 2.548 -9.942 -15.137 1.00 0.00 C ATOM 272 O THR A 21 1.647 -9.413 -15.789 1.00 0.00 O ATOM 273 CB THR A 21 3.751 -11.951 -16.000 1.00 0.00 C ATOM 274 OG1 THR A 21 3.705 -13.378 -16.106 1.00 0.00 O ATOM 275 CG2 THR A 21 5.127 -11.517 -15.518 1.00 0.00 C ATOM 0 HA THR A 21 2.923 -11.736 -14.019 1.00 0.00 H new ATOM 0 HB THR A 21 3.571 -11.508 -16.980 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.792 -13.690 -15.933 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.886 -11.876 -16.213 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.168 -10.429 -15.466 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.314 -11.935 -14.529 1.00 0.00 H new ATOM 283 N CYS A 22 3.475 -9.246 -14.488 1.00 0.00 N ATOM 284 CA CYS A 22 3.488 -7.788 -14.503 1.00 0.00 C ATOM 285 C CYS A 22 3.815 -7.261 -15.897 1.00 0.00 C ATOM 286 O CYS A 22 4.855 -7.574 -16.478 1.00 0.00 O ATOM 287 CB CYS A 22 4.506 -7.255 -13.493 1.00 0.00 C ATOM 288 SG CYS A 22 4.502 -5.442 -13.319 1.00 0.00 S ATOM 0 H CYS A 22 4.228 -9.668 -13.945 1.00 0.00 H new ATOM 0 HA CYS A 22 2.494 -7.438 -14.225 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.305 -7.703 -12.520 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.503 -7.578 -13.793 1.00 0.00 H new ATOM 0 HG CYS A 22 3.520 -5.082 -12.547 1.00 0.00 H new ATOM 293 N PRO A 23 2.907 -6.442 -16.449 1.00 0.00 N ATOM 294 CA PRO A 23 3.077 -5.854 -17.781 1.00 0.00 C ATOM 295 C PRO A 23 4.185 -4.808 -17.815 1.00 0.00 C ATOM 296 O PRO A 23 4.387 -4.137 -18.828 1.00 0.00 O ATOM 297 CB PRO A 23 1.719 -5.204 -18.057 1.00 0.00 C ATOM 298 CG PRO A 23 1.152 -4.923 -16.708 1.00 0.00 C ATOM 299 CD PRO A 23 1.645 -6.027 -15.814 1.00 0.00 C ATOM 0 HA PRO A 23 3.367 -6.599 -18.522 1.00 0.00 H new ATOM 0 HB2 PRO A 23 1.829 -4.289 -18.639 1.00 0.00 H new ATOM 0 HB3 PRO A 23 1.071 -5.869 -18.628 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.479 -3.949 -16.342 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.063 -4.903 -16.739 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.804 -5.677 -14.794 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.932 -6.850 -15.761 1.00 0.00 H new ATOM 307 N ILE A 24 4.901 -4.674 -16.704 1.00 0.00 N ATOM 308 CA ILE A 24 5.991 -3.711 -16.609 1.00 0.00 C ATOM 309 C ILE A 24 7.340 -4.414 -16.505 1.00 0.00 C ATOM 310 O ILE A 24 8.173 -4.320 -17.407 1.00 0.00 O ATOM 311 CB ILE A 24 5.815 -2.780 -15.395 1.00 0.00 C ATOM 312 CG1 ILE A 24 4.526 -1.967 -15.530 1.00 0.00 C ATOM 313 CG2 ILE A 24 7.017 -1.858 -15.255 1.00 0.00 C ATOM 314 CD1 ILE A 24 3.933 -1.548 -14.203 1.00 0.00 C ATOM 0 H ILE A 24 4.746 -5.220 -15.857 1.00 0.00 H new ATOM 0 HA ILE A 24 5.965 -3.115 -17.521 1.00 0.00 H new ATOM 0 HB ILE A 24 5.744 -3.391 -14.495 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.728 -1.077 -16.125 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.790 -2.556 -16.078 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.877 -1.206 -14.392 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.919 -2.454 -15.117 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.117 -1.252 -16.155 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.022 -0.976 -14.376 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.698 -2.434 -13.613 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.651 -0.932 -13.662 1.00 0.00 H new ATOM 326 N CYS A 25 7.549 -5.121 -15.399 1.00 0.00 N ATOM 327 CA CYS A 25 8.795 -5.842 -15.176 1.00 0.00 C ATOM 328 C CYS A 25 8.740 -7.232 -15.804 1.00 0.00 C ATOM 329 O CYS A 25 9.773 -7.833 -16.103 1.00 0.00 O ATOM 330 CB CYS A 25 9.080 -5.959 -13.678 1.00 0.00 C ATOM 331 SG CYS A 25 7.756 -6.775 -12.730 1.00 0.00 S ATOM 0 H CYS A 25 6.870 -5.209 -14.643 1.00 0.00 H new ATOM 0 HA CYS A 25 9.600 -5.280 -15.650 1.00 0.00 H new ATOM 0 HB2 CYS A 25 10.007 -6.514 -13.538 1.00 0.00 H new ATOM 0 HB3 CYS A 25 9.241 -4.961 -13.271 1.00 0.00 H new ATOM 0 HG CYS A 25 6.651 -6.104 -12.862 1.00 0.00 H new ATOM 336 N LEU A 26 7.527 -7.737 -16.002 1.00 0.00 N ATOM 337 CA LEU A 26 7.335 -9.056 -16.596 1.00 0.00 C ATOM 338 C LEU A 26 7.820 -10.153 -15.653 1.00 0.00 C ATOM 339 O LEU A 26 8.509 -11.083 -16.071 1.00 0.00 O ATOM 340 CB LEU A 26 8.077 -9.150 -17.930 1.00 0.00 C ATOM 341 CG LEU A 26 7.812 -8.020 -18.926 1.00 0.00 C ATOM 342 CD1 LEU A 26 8.888 -7.991 -20.000 1.00 0.00 C ATOM 343 CD2 LEU A 26 6.434 -8.176 -19.554 1.00 0.00 C ATOM 0 H LEU A 26 6.662 -7.253 -15.760 1.00 0.00 H new ATOM 0 HA LEU A 26 6.268 -9.197 -16.770 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.147 -9.184 -17.726 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.813 -10.095 -18.404 1.00 0.00 H new ATOM 0 HG LEU A 26 7.840 -7.073 -18.387 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.682 -7.181 -20.699 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.861 -7.832 -19.536 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.893 -8.940 -20.536 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.262 -7.364 -20.260 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.379 -9.130 -20.078 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.673 -8.146 -18.774 1.00 0.00 H new ATOM 355 N GLU A 27 7.454 -10.037 -14.380 1.00 0.00 N ATOM 356 CA GLU A 27 7.851 -11.020 -13.379 1.00 0.00 C ATOM 357 C GLU A 27 6.733 -11.247 -12.366 1.00 0.00 C ATOM 358 O GLU A 27 5.701 -10.576 -12.403 1.00 0.00 O ATOM 359 CB GLU A 27 9.122 -10.563 -12.660 1.00 0.00 C ATOM 360 CG GLU A 27 10.336 -10.471 -13.568 1.00 0.00 C ATOM 361 CD GLU A 27 11.467 -9.671 -12.951 1.00 0.00 C ATOM 362 OE1 GLU A 27 11.333 -8.434 -12.850 1.00 0.00 O ATOM 363 OE2 GLU A 27 12.486 -10.283 -12.569 1.00 0.00 O ATOM 0 H GLU A 27 6.884 -9.273 -14.018 1.00 0.00 H new ATOM 0 HA GLU A 27 8.050 -11.962 -13.890 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.943 -9.588 -12.208 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.339 -11.256 -11.847 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.690 -11.476 -13.798 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.045 -10.012 -14.513 1.00 0.00 H new ATOM 370 N LEU A 28 6.946 -12.198 -11.463 1.00 0.00 N ATOM 371 CA LEU A 28 5.956 -12.515 -10.439 1.00 0.00 C ATOM 372 C LEU A 28 5.488 -11.252 -9.724 1.00 0.00 C ATOM 373 O LEU A 28 6.291 -10.520 -9.144 1.00 0.00 O ATOM 374 CB LEU A 28 6.540 -13.501 -9.426 1.00 0.00 C ATOM 375 CG LEU A 28 6.344 -14.984 -9.742 1.00 0.00 C ATOM 376 CD1 LEU A 28 7.132 -15.847 -8.769 1.00 0.00 C ATOM 377 CD2 LEU A 28 4.866 -15.346 -9.702 1.00 0.00 C ATOM 0 H LEU A 28 7.794 -12.763 -11.419 1.00 0.00 H new ATOM 0 HA LEU A 28 5.096 -12.972 -10.929 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.609 -13.308 -9.336 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.096 -13.296 -8.452 1.00 0.00 H new ATOM 0 HG LEU A 28 6.718 -15.174 -10.748 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.980 -16.899 -9.010 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.192 -15.607 -8.846 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.789 -15.655 -7.752 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.745 -16.405 -9.929 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.468 -15.140 -8.709 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.326 -14.752 -10.440 1.00 0.00 H new ATOM 389 N LEU A 29 4.184 -11.002 -9.767 1.00 0.00 N ATOM 390 CA LEU A 29 3.608 -9.828 -9.122 1.00 0.00 C ATOM 391 C LEU A 29 3.772 -9.904 -7.607 1.00 0.00 C ATOM 392 O LEU A 29 3.242 -10.807 -6.959 1.00 0.00 O ATOM 393 CB LEU A 29 2.126 -9.701 -9.480 1.00 0.00 C ATOM 394 CG LEU A 29 1.812 -9.436 -10.953 1.00 0.00 C ATOM 395 CD1 LEU A 29 0.451 -10.007 -11.320 1.00 0.00 C ATOM 396 CD2 LEU A 29 1.865 -7.944 -11.250 1.00 0.00 C ATOM 0 H LEU A 29 3.505 -11.597 -10.242 1.00 0.00 H new ATOM 0 HA LEU A 29 4.140 -8.948 -9.483 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.621 -10.619 -9.181 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.697 -8.893 -8.887 1.00 0.00 H new ATOM 0 HG LEU A 29 2.567 -9.934 -11.561 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.245 -9.809 -12.372 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.449 -11.083 -11.146 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.318 -9.539 -10.705 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.639 -7.774 -12.303 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.132 -7.424 -10.633 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.862 -7.564 -11.027 1.00 0.00 H new ATOM 408 N LYS A 30 4.507 -8.949 -7.048 1.00 0.00 N ATOM 409 CA LYS A 30 4.738 -8.904 -5.609 1.00 0.00 C ATOM 410 C LYS A 30 3.844 -7.861 -4.946 1.00 0.00 C ATOM 411 O LYS A 30 4.063 -6.659 -5.094 1.00 0.00 O ATOM 412 CB LYS A 30 6.208 -8.591 -5.318 1.00 0.00 C ATOM 413 CG LYS A 30 6.619 -8.880 -3.884 1.00 0.00 C ATOM 414 CD LYS A 30 7.096 -10.313 -3.720 1.00 0.00 C ATOM 415 CE LYS A 30 8.520 -10.487 -4.224 1.00 0.00 C ATOM 416 NZ LYS A 30 8.860 -11.920 -4.442 1.00 0.00 N ATOM 0 H LYS A 30 4.953 -8.195 -7.570 1.00 0.00 H new ATOM 0 HA LYS A 30 4.492 -9.882 -5.196 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.835 -9.175 -5.992 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.397 -7.540 -5.537 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.413 -8.195 -3.587 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.775 -8.698 -3.219 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.044 -10.597 -2.669 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.431 -10.983 -4.265 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.644 -9.938 -5.158 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.215 -10.054 -3.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.839 -11.996 -4.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.766 -12.439 -3.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.213 -12.327 -5.147 1.00 0.00 H new ATOM 430 N GLU A 31 2.837 -8.330 -4.216 1.00 0.00 N ATOM 431 CA GLU A 31 1.911 -7.436 -3.530 1.00 0.00 C ATOM 432 C GLU A 31 1.345 -6.396 -4.493 1.00 0.00 C ATOM 433 O GLU A 31 1.403 -5.191 -4.249 1.00 0.00 O ATOM 434 CB GLU A 31 2.611 -6.739 -2.362 1.00 0.00 C ATOM 435 CG GLU A 31 2.861 -7.649 -1.171 1.00 0.00 C ATOM 436 CD GLU A 31 4.199 -8.358 -1.251 1.00 0.00 C ATOM 437 OE1 GLU A 31 5.234 -7.665 -1.344 1.00 0.00 O ATOM 438 OE2 GLU A 31 4.211 -9.606 -1.219 1.00 0.00 O ATOM 0 H GLU A 31 2.642 -9.322 -4.084 1.00 0.00 H new ATOM 0 HA GLU A 31 1.086 -8.035 -3.144 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.563 -6.337 -2.708 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.006 -5.892 -2.040 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.820 -7.061 -0.254 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.064 -8.390 -1.111 1.00 0.00 H new ATOM 445 N PRO A 32 0.784 -6.872 -5.615 1.00 0.00 N ATOM 446 CA PRO A 32 0.197 -6.002 -6.637 1.00 0.00 C ATOM 447 C PRO A 32 -1.088 -5.334 -6.161 1.00 0.00 C ATOM 448 O PRO A 32 -1.709 -5.776 -5.194 1.00 0.00 O ATOM 449 CB PRO A 32 -0.095 -6.960 -7.794 1.00 0.00 C ATOM 450 CG PRO A 32 -0.253 -8.294 -7.151 1.00 0.00 C ATOM 451 CD PRO A 32 0.680 -8.297 -5.971 1.00 0.00 C ATOM 0 HA PRO A 32 0.862 -5.181 -6.904 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -0.999 -6.669 -8.330 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.719 -6.964 -8.519 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.283 -8.455 -6.834 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -0.004 -9.095 -7.847 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.283 -8.889 -5.146 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.652 -8.719 -6.228 1.00 0.00 H new ATOM 459 N VAL A 33 -1.484 -4.266 -6.847 1.00 0.00 N ATOM 460 CA VAL A 33 -2.697 -3.538 -6.495 1.00 0.00 C ATOM 461 C VAL A 33 -3.596 -3.347 -7.711 1.00 0.00 C ATOM 462 O VAL A 33 -3.165 -2.827 -8.740 1.00 0.00 O ATOM 463 CB VAL A 33 -2.369 -2.159 -5.892 1.00 0.00 C ATOM 464 CG1 VAL A 33 -1.699 -2.315 -4.536 1.00 0.00 C ATOM 465 CG2 VAL A 33 -1.491 -1.358 -6.841 1.00 0.00 C ATOM 0 H VAL A 33 -0.982 -3.886 -7.650 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.220 -4.137 -5.750 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.302 -1.613 -5.749 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.475 -1.330 -4.126 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.367 -2.847 -3.859 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.774 -2.880 -4.650 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.269 -0.387 -6.399 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.560 -1.897 -7.018 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.013 -1.215 -7.787 1.00 0.00 H new ATOM 475 N SER A 34 -4.850 -3.772 -7.586 1.00 0.00 N ATOM 476 CA SER A 34 -5.810 -3.652 -8.677 1.00 0.00 C ATOM 477 C SER A 34 -6.176 -2.191 -8.920 1.00 0.00 C ATOM 478 O SER A 34 -6.093 -1.360 -8.016 1.00 0.00 O ATOM 479 CB SER A 34 -7.071 -4.460 -8.366 1.00 0.00 C ATOM 480 OG SER A 34 -7.687 -4.005 -7.173 1.00 0.00 O ATOM 0 H SER A 34 -5.224 -4.202 -6.740 1.00 0.00 H new ATOM 0 HA SER A 34 -5.347 -4.048 -9.581 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.773 -4.378 -9.196 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.816 -5.515 -8.268 1.00 0.00 H new ATOM 0 HG SER A 34 -8.492 -4.536 -6.997 1.00 0.00 H new ATOM 486 N ALA A 35 -6.580 -1.885 -10.148 1.00 0.00 N ATOM 487 CA ALA A 35 -6.961 -0.525 -10.511 1.00 0.00 C ATOM 488 C ALA A 35 -8.309 -0.504 -11.222 1.00 0.00 C ATOM 489 O ALA A 35 -8.871 -1.553 -11.539 1.00 0.00 O ATOM 490 CB ALA A 35 -5.889 0.107 -11.387 1.00 0.00 C ATOM 0 H ALA A 35 -6.652 -2.560 -10.909 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.055 0.057 -9.594 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.186 1.122 -11.651 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.945 0.135 -10.843 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.767 -0.483 -12.295 1.00 0.00 H new ATOM 496 N ASP A 36 -8.823 0.696 -11.470 1.00 0.00 N ATOM 497 CA ASP A 36 -10.107 0.853 -12.145 1.00 0.00 C ATOM 498 C ASP A 36 -10.112 0.117 -13.481 1.00 0.00 C ATOM 499 O ASP A 36 -11.136 -0.424 -13.899 1.00 0.00 O ATOM 500 CB ASP A 36 -10.413 2.336 -12.363 1.00 0.00 C ATOM 501 CG ASP A 36 -11.070 2.975 -11.156 1.00 0.00 C ATOM 502 OD1 ASP A 36 -12.207 2.582 -10.821 1.00 0.00 O ATOM 503 OD2 ASP A 36 -10.446 3.869 -10.546 1.00 0.00 O ATOM 0 H ASP A 36 -8.371 1.574 -11.214 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.880 0.420 -11.510 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.488 2.865 -12.592 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.066 2.446 -13.229 1.00 0.00 H new ATOM 508 N CYS A 37 -8.962 0.103 -14.147 1.00 0.00 N ATOM 509 CA CYS A 37 -8.834 -0.565 -15.437 1.00 0.00 C ATOM 510 C CYS A 37 -8.459 -2.033 -15.254 1.00 0.00 C ATOM 511 O CYS A 37 -7.683 -2.587 -16.032 1.00 0.00 O ATOM 512 CB CYS A 37 -7.782 0.139 -16.296 1.00 0.00 C ATOM 513 SG CYS A 37 -6.168 0.345 -15.476 1.00 0.00 S ATOM 0 H CYS A 37 -8.106 0.546 -13.815 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.799 -0.515 -15.942 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.640 -0.429 -17.216 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.160 1.121 -16.582 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.286 0.740 -16.346 1.00 0.00 H new ATOM 518 N ASN A 38 -9.015 -2.656 -14.221 1.00 0.00 N ATOM 519 CA ASN A 38 -8.739 -4.060 -13.936 1.00 0.00 C ATOM 520 C ASN A 38 -7.286 -4.403 -14.251 1.00 0.00 C ATOM 521 O ASN A 38 -6.996 -5.453 -14.825 1.00 0.00 O ATOM 522 CB ASN A 38 -9.675 -4.960 -14.745 1.00 0.00 C ATOM 523 CG ASN A 38 -10.991 -5.212 -14.035 1.00 0.00 C ATOM 524 OD1 ASN A 38 -11.110 -4.996 -12.829 1.00 0.00 O ATOM 525 ND2 ASN A 38 -11.988 -5.671 -14.782 1.00 0.00 N ATOM 0 H ASN A 38 -9.659 -2.212 -13.567 1.00 0.00 H new ATOM 0 HA ASN A 38 -8.912 -4.230 -12.873 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.870 -4.500 -15.713 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -9.181 -5.912 -14.939 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -12.897 -5.859 -14.360 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -11.845 -5.836 -15.778 1.00 0.00 H new ATOM 532 N HIS A 39 -6.377 -3.511 -13.872 1.00 0.00 N ATOM 533 CA HIS A 39 -4.954 -3.720 -14.113 1.00 0.00 C ATOM 534 C HIS A 39 -4.160 -3.608 -12.815 1.00 0.00 C ATOM 535 O HIS A 39 -4.201 -2.580 -12.138 1.00 0.00 O ATOM 536 CB HIS A 39 -4.433 -2.706 -15.132 1.00 0.00 C ATOM 537 CG HIS A 39 -4.936 -2.942 -16.523 1.00 0.00 C ATOM 538 ND1 HIS A 39 -4.926 -1.970 -17.502 1.00 0.00 N ATOM 539 CD2 HIS A 39 -5.464 -4.047 -17.097 1.00 0.00 C ATOM 540 CE1 HIS A 39 -5.429 -2.468 -18.617 1.00 0.00 C ATOM 541 NE2 HIS A 39 -5.762 -3.727 -18.399 1.00 0.00 N ATOM 0 H HIS A 39 -6.600 -2.637 -13.397 1.00 0.00 H new ATOM 0 HA HIS A 39 -4.823 -4.726 -14.513 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -4.722 -1.704 -14.815 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.343 -2.737 -15.138 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -4.584 -1.016 -17.383 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -5.622 -5.003 -16.620 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -5.548 -1.936 -19.549 1.00 0.00 H new ATOM 549 N SER A 40 -3.441 -4.671 -12.473 1.00 0.00 N ATOM 550 CA SER A 40 -2.642 -4.694 -11.253 1.00 0.00 C ATOM 551 C SER A 40 -1.151 -4.698 -11.580 1.00 0.00 C ATOM 552 O SER A 40 -0.730 -5.242 -12.601 1.00 0.00 O ATOM 553 CB SER A 40 -2.994 -5.921 -10.410 1.00 0.00 C ATOM 554 OG SER A 40 -4.396 -6.036 -10.239 1.00 0.00 O ATOM 0 H SER A 40 -3.395 -5.529 -13.023 1.00 0.00 H new ATOM 0 HA SER A 40 -2.869 -3.793 -10.683 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.608 -6.820 -10.891 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.510 -5.848 -9.436 1.00 0.00 H new ATOM 0 HG SER A 40 -4.596 -6.829 -9.698 1.00 0.00 H new ATOM 560 N PHE A 41 -0.359 -4.088 -10.705 1.00 0.00 N ATOM 561 CA PHE A 41 1.085 -4.020 -10.900 1.00 0.00 C ATOM 562 C PHE A 41 1.817 -4.057 -9.561 1.00 0.00 C ATOM 563 O PHE A 41 1.282 -3.633 -8.536 1.00 0.00 O ATOM 564 CB PHE A 41 1.458 -2.747 -11.663 1.00 0.00 C ATOM 565 CG PHE A 41 0.375 -2.259 -12.581 1.00 0.00 C ATOM 566 CD1 PHE A 41 -0.684 -1.512 -12.090 1.00 0.00 C ATOM 567 CD2 PHE A 41 0.414 -2.548 -13.936 1.00 0.00 C ATOM 568 CE1 PHE A 41 -1.682 -1.061 -12.932 1.00 0.00 C ATOM 569 CE2 PHE A 41 -0.582 -2.099 -14.783 1.00 0.00 C ATOM 570 CZ PHE A 41 -1.632 -1.356 -14.280 1.00 0.00 C ATOM 0 H PHE A 41 -0.692 -3.634 -9.855 1.00 0.00 H new ATOM 0 HA PHE A 41 1.389 -4.888 -11.484 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.698 -1.961 -10.947 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.360 -2.933 -12.246 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.730 -1.280 -11.036 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.232 -3.130 -14.335 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.501 -0.478 -12.536 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.539 -2.329 -15.837 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.412 -1.006 -14.940 1.00 0.00 H new ATOM 580 N CYS A 42 3.043 -4.567 -9.579 1.00 0.00 N ATOM 581 CA CYS A 42 3.850 -4.661 -8.368 1.00 0.00 C ATOM 582 C CYS A 42 3.707 -3.401 -7.519 1.00 0.00 C ATOM 583 O CYS A 42 3.871 -2.285 -8.013 1.00 0.00 O ATOM 584 CB CYS A 42 5.321 -4.884 -8.725 1.00 0.00 C ATOM 585 SG CYS A 42 5.604 -6.264 -9.881 1.00 0.00 S ATOM 0 H CYS A 42 3.500 -4.922 -10.419 1.00 0.00 H new ATOM 0 HA CYS A 42 3.491 -5.511 -7.788 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.720 -3.969 -9.163 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.882 -5.070 -7.809 1.00 0.00 H new ATOM 0 HG CYS A 42 5.199 -5.925 -11.069 1.00 0.00 H new ATOM 590 N ARG A 43 3.399 -3.587 -6.240 1.00 0.00 N ATOM 591 CA ARG A 43 3.232 -2.466 -5.323 1.00 0.00 C ATOM 592 C ARG A 43 4.183 -1.327 -5.678 1.00 0.00 C ATOM 593 O ARG A 43 3.808 -0.156 -5.636 1.00 0.00 O ATOM 594 CB ARG A 43 3.477 -2.918 -3.882 1.00 0.00 C ATOM 595 CG ARG A 43 2.744 -2.079 -2.848 1.00 0.00 C ATOM 596 CD ARG A 43 2.416 -2.890 -1.604 1.00 0.00 C ATOM 597 NE ARG A 43 3.620 -3.372 -0.932 1.00 0.00 N ATOM 598 CZ ARG A 43 3.603 -4.038 0.218 1.00 0.00 C ATOM 599 NH1 ARG A 43 2.451 -4.299 0.820 1.00 0.00 N ATOM 600 NH2 ARG A 43 4.740 -4.444 0.767 1.00 0.00 N ATOM 0 H ARG A 43 3.260 -4.504 -5.815 1.00 0.00 H new ATOM 0 HA ARG A 43 2.208 -2.104 -5.414 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.168 -3.958 -3.779 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.547 -2.881 -3.675 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.357 -1.221 -2.573 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.824 -1.687 -3.282 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.836 -2.277 -0.914 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.790 -3.739 -1.879 1.00 0.00 H new ATOM 0 HE ARG A 43 4.523 -3.187 -1.369 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.575 -3.988 0.401 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.441 -4.810 1.703 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.628 -4.245 0.307 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.726 -4.955 1.650 1.00 0.00 H new ATOM 614 N ALA A 44 5.416 -1.680 -6.028 1.00 0.00 N ATOM 615 CA ALA A 44 6.420 -0.688 -6.393 1.00 0.00 C ATOM 616 C ALA A 44 6.211 -0.194 -7.820 1.00 0.00 C ATOM 617 O ALA A 44 6.033 1.002 -8.055 1.00 0.00 O ATOM 618 CB ALA A 44 7.817 -1.268 -6.232 1.00 0.00 C ATOM 0 H ALA A 44 5.743 -2.645 -6.066 1.00 0.00 H new ATOM 0 HA ALA A 44 6.313 0.165 -5.723 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.557 -0.517 -6.508 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.970 -1.565 -5.194 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.926 -2.139 -6.878 1.00 0.00 H new ATOM 624 N CYS A 45 6.235 -1.121 -8.772 1.00 0.00 N ATOM 625 CA CYS A 45 6.049 -0.781 -10.177 1.00 0.00 C ATOM 626 C CYS A 45 4.998 0.313 -10.337 1.00 0.00 C ATOM 627 O CYS A 45 5.273 1.375 -10.897 1.00 0.00 O ATOM 628 CB CYS A 45 5.637 -2.020 -10.974 1.00 0.00 C ATOM 629 SG CYS A 45 7.024 -3.117 -11.412 1.00 0.00 S ATOM 0 H CYS A 45 6.382 -2.115 -8.595 1.00 0.00 H new ATOM 0 HA CYS A 45 6.998 -0.409 -10.563 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.909 -2.587 -10.394 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.137 -1.701 -11.889 1.00 0.00 H new ATOM 0 HG CYS A 45 6.780 -4.318 -10.979 1.00 0.00 H new ATOM 634 N ILE A 46 3.794 0.046 -9.842 1.00 0.00 N ATOM 635 CA ILE A 46 2.702 1.008 -9.929 1.00 0.00 C ATOM 636 C ILE A 46 3.102 2.350 -9.325 1.00 0.00 C ATOM 637 O ILE A 46 2.686 3.407 -9.801 1.00 0.00 O ATOM 638 CB ILE A 46 1.439 0.492 -9.215 1.00 0.00 C ATOM 639 CG1 ILE A 46 0.291 1.490 -9.377 1.00 0.00 C ATOM 640 CG2 ILE A 46 1.728 0.244 -7.742 1.00 0.00 C ATOM 641 CD1 ILE A 46 -1.070 0.898 -9.086 1.00 0.00 C ATOM 0 H ILE A 46 3.550 -0.828 -9.377 1.00 0.00 H new ATOM 0 HA ILE A 46 2.482 1.140 -10.988 1.00 0.00 H new ATOM 0 HB ILE A 46 1.142 -0.452 -9.671 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.460 2.337 -8.712 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.299 1.878 -10.395 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.826 -0.120 -7.251 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.519 -0.500 -7.647 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.047 1.174 -7.272 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.836 1.662 -9.221 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.260 0.070 -9.769 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.097 0.535 -8.059 1.00 0.00 H new ATOM 653 N THR A 47 3.915 2.301 -8.274 1.00 0.00 N ATOM 654 CA THR A 47 4.372 3.512 -7.605 1.00 0.00 C ATOM 655 C THR A 47 5.302 4.319 -8.503 1.00 0.00 C ATOM 656 O THR A 47 5.066 5.501 -8.758 1.00 0.00 O ATOM 657 CB THR A 47 5.104 3.185 -6.290 1.00 0.00 C ATOM 658 OG1 THR A 47 4.246 2.430 -5.427 1.00 0.00 O ATOM 659 CG2 THR A 47 5.547 4.458 -5.585 1.00 0.00 C ATOM 0 H THR A 47 4.270 1.435 -7.868 1.00 0.00 H new ATOM 0 HA THR A 47 3.484 4.103 -7.381 1.00 0.00 H new ATOM 0 HB THR A 47 5.989 2.595 -6.530 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.258 1.488 -5.697 1.00 0.00 H new ATOM 0 HG21 THR A 47 6.061 4.201 -4.659 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.223 5.016 -6.233 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.674 5.070 -5.357 1.00 0.00 H new ATOM 667 N LEU A 48 6.361 3.674 -8.982 1.00 0.00 N ATOM 668 CA LEU A 48 7.327 4.333 -9.854 1.00 0.00 C ATOM 669 C LEU A 48 6.661 4.818 -11.137 1.00 0.00 C ATOM 670 O LEU A 48 6.827 5.969 -11.538 1.00 0.00 O ATOM 671 CB LEU A 48 8.473 3.377 -10.191 1.00 0.00 C ATOM 672 CG LEU A 48 9.528 3.183 -9.102 1.00 0.00 C ATOM 673 CD1 LEU A 48 9.162 2.010 -8.206 1.00 0.00 C ATOM 674 CD2 LEU A 48 10.903 2.976 -9.721 1.00 0.00 C ATOM 0 H LEU A 48 6.572 2.696 -8.781 1.00 0.00 H new ATOM 0 HA LEU A 48 7.726 5.198 -9.325 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.048 2.403 -10.434 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.971 3.741 -11.090 1.00 0.00 H new ATOM 0 HG LEU A 48 9.560 4.084 -8.490 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.925 1.888 -7.437 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.198 2.200 -7.734 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.100 1.101 -8.804 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.641 2.840 -8.931 1.00 0.00 H new ATOM 0 HD22 LEU A 48 10.886 2.092 -10.358 1.00 0.00 H new ATOM 0 HD23 LEU A 48 11.168 3.848 -10.318 1.00 0.00 H new ATOM 686 N ASN A 49 5.904 3.932 -11.777 1.00 0.00 N ATOM 687 CA ASN A 49 5.210 4.271 -13.014 1.00 0.00 C ATOM 688 C ASN A 49 4.544 5.639 -12.907 1.00 0.00 C ATOM 689 O ASN A 49 4.755 6.511 -13.751 1.00 0.00 O ATOM 690 CB ASN A 49 4.163 3.206 -13.344 1.00 0.00 C ATOM 691 CG ASN A 49 3.177 3.671 -14.399 1.00 0.00 C ATOM 692 OD1 ASN A 49 3.575 3.577 -15.662 1.00 0.00 O flip ATOM 693 ND2 ASN A 49 2.072 4.110 -14.080 1.00 0.00 N flip ATOM 0 H ASN A 49 5.756 2.974 -11.459 1.00 0.00 H new ATOM 0 HA ASN A 49 5.947 4.307 -13.816 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.665 2.303 -13.692 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.621 2.940 -12.436 1.00 0.00 H new ATOM 0 HD21 ASN A 49 1.809 4.164 -13.096 1.00 0.00 H new ATOM 0 HD22 ASN A 49 1.419 4.420 -14.800 1.00 0.00 H new ATOM 700 N TYR A 50 3.741 5.820 -11.865 1.00 0.00 N ATOM 701 CA TYR A 50 3.042 7.081 -11.648 1.00 0.00 C ATOM 702 C TYR A 50 4.022 8.190 -11.276 1.00 0.00 C ATOM 703 O TYR A 50 4.058 9.241 -11.914 1.00 0.00 O ATOM 704 CB TYR A 50 1.991 6.924 -10.548 1.00 0.00 C ATOM 705 CG TYR A 50 1.616 8.226 -9.878 1.00 0.00 C ATOM 706 CD1 TYR A 50 0.758 9.127 -10.497 1.00 0.00 C ATOM 707 CD2 TYR A 50 2.119 8.556 -8.625 1.00 0.00 C ATOM 708 CE1 TYR A 50 0.413 10.318 -9.889 1.00 0.00 C ATOM 709 CE2 TYR A 50 1.778 9.744 -8.009 1.00 0.00 C ATOM 710 CZ TYR A 50 0.926 10.623 -8.645 1.00 0.00 C ATOM 711 OH TYR A 50 0.584 11.808 -8.035 1.00 0.00 O ATOM 0 H TYR A 50 3.558 5.109 -11.157 1.00 0.00 H new ATOM 0 HA TYR A 50 2.545 7.356 -12.578 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.095 6.474 -10.975 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.367 6.232 -9.794 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.354 8.892 -11.471 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.788 7.872 -8.125 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.255 11.007 -10.385 1.00 0.00 H new ATOM 0 HE2 TYR A 50 2.176 9.984 -7.034 1.00 0.00 H new ATOM 0 HH TYR A 50 1.029 11.868 -7.164 1.00 0.00 H new ATOM 721 N GLU A 51 4.816 7.945 -10.238 1.00 0.00 N ATOM 722 CA GLU A 51 5.796 8.922 -9.780 1.00 0.00 C ATOM 723 C GLU A 51 6.483 9.599 -10.963 1.00 0.00 C ATOM 724 O GLU A 51 6.604 10.824 -11.007 1.00 0.00 O ATOM 725 CB GLU A 51 6.841 8.250 -8.886 1.00 0.00 C ATOM 726 CG GLU A 51 6.358 8.002 -7.467 1.00 0.00 C ATOM 727 CD GLU A 51 6.655 9.163 -6.538 1.00 0.00 C ATOM 728 OE1 GLU A 51 5.910 10.165 -6.586 1.00 0.00 O ATOM 729 OE2 GLU A 51 7.630 9.071 -5.765 1.00 0.00 O ATOM 0 H GLU A 51 4.799 7.079 -9.699 1.00 0.00 H new ATOM 0 HA GLU A 51 5.270 9.683 -9.203 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.132 7.300 -9.333 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.734 8.874 -8.853 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.284 7.818 -7.480 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.832 7.100 -7.078 1.00 0.00 H new ATOM 861 N ASN A 61 -1.366 7.826 -15.038 1.00 0.00 N ATOM 862 CA ASN A 61 -1.556 7.170 -16.327 1.00 0.00 C ATOM 863 C ASN A 61 -1.096 5.716 -16.270 1.00 0.00 C ATOM 864 O ASN A 61 -0.019 5.414 -15.757 1.00 0.00 O ATOM 865 CB ASN A 61 -0.789 7.917 -17.420 1.00 0.00 C ATOM 866 CG ASN A 61 -1.277 7.565 -18.812 1.00 0.00 C ATOM 867 OD1 ASN A 61 -2.474 7.617 -19.093 1.00 0.00 O ATOM 868 ND2 ASN A 61 -0.349 7.205 -19.691 1.00 0.00 N ATOM 0 HA ASN A 61 -2.620 7.187 -16.563 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.891 8.991 -17.263 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.273 7.683 -17.340 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.617 6.957 -20.643 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.632 7.176 -19.414 1.00 0.00 H new ATOM 875 N CYS A 62 -1.920 4.820 -16.802 1.00 0.00 N ATOM 876 CA CYS A 62 -1.600 3.398 -16.813 1.00 0.00 C ATOM 877 C CYS A 62 -0.630 3.067 -17.944 1.00 0.00 C ATOM 878 O CYS A 62 -0.849 3.415 -19.105 1.00 0.00 O ATOM 879 CB CYS A 62 -2.876 2.568 -16.963 1.00 0.00 C ATOM 880 SG CYS A 62 -2.614 0.770 -16.827 1.00 0.00 S ATOM 0 H CYS A 62 -2.815 5.054 -17.232 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.123 3.152 -15.864 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.591 2.879 -16.201 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.327 2.786 -17.931 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.114 0.491 -15.660 1.00 0.00 H new ATOM 885 N PRO A 63 0.469 2.380 -17.599 1.00 0.00 N ATOM 886 CA PRO A 63 1.494 1.987 -18.570 1.00 0.00 C ATOM 887 C PRO A 63 1.001 0.908 -19.529 1.00 0.00 C ATOM 888 O PRO A 63 1.775 0.361 -20.314 1.00 0.00 O ATOM 889 CB PRO A 63 2.625 1.446 -17.692 1.00 0.00 C ATOM 890 CG PRO A 63 1.952 0.996 -16.442 1.00 0.00 C ATOM 891 CD PRO A 63 0.795 1.933 -16.234 1.00 0.00 C ATOM 0 HA PRO A 63 1.792 2.819 -19.208 1.00 0.00 H new ATOM 0 HB2 PRO A 63 3.145 0.622 -18.180 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.369 2.216 -17.486 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.608 -0.034 -16.533 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.638 1.029 -15.596 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -0.050 1.430 -15.763 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.066 2.770 -15.591 1.00 0.00 H new ATOM 899 N VAL A 64 -0.292 0.607 -19.459 1.00 0.00 N ATOM 900 CA VAL A 64 -0.889 -0.406 -20.322 1.00 0.00 C ATOM 901 C VAL A 64 -2.014 0.184 -21.164 1.00 0.00 C ATOM 902 O VAL A 64 -2.064 -0.011 -22.379 1.00 0.00 O ATOM 903 CB VAL A 64 -1.440 -1.587 -19.503 1.00 0.00 C ATOM 904 CG1 VAL A 64 -2.108 -2.605 -20.415 1.00 0.00 C ATOM 905 CG2 VAL A 64 -0.330 -2.236 -18.690 1.00 0.00 C ATOM 0 H VAL A 64 -0.946 1.050 -18.814 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.099 -0.768 -20.980 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.191 -1.206 -18.811 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.491 -3.432 -19.818 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.932 -2.130 -20.948 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.380 -2.983 -21.133 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.738 -3.069 -18.117 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.446 -2.603 -19.362 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.098 -1.502 -18.008 1.00 0.00 H new ATOM 915 N CYS A 65 -2.917 0.908 -20.511 1.00 0.00 N ATOM 916 CA CYS A 65 -4.044 1.527 -21.198 1.00 0.00 C ATOM 917 C CYS A 65 -3.934 3.049 -21.160 1.00 0.00 C ATOM 918 O CYS A 65 -4.633 3.750 -21.892 1.00 0.00 O ATOM 919 CB CYS A 65 -5.363 1.084 -20.562 1.00 0.00 C ATOM 920 SG CYS A 65 -5.500 1.474 -18.788 1.00 0.00 S ATOM 0 H CYS A 65 -2.890 1.080 -19.506 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.025 1.204 -22.239 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -6.188 1.560 -21.093 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -5.476 0.008 -20.696 1.00 0.00 H new ATOM 0 HG CYS A 65 -4.467 0.999 -18.158 1.00 0.00 H new ATOM 925 N ARG A 66 -3.052 3.552 -20.303 1.00 0.00 N ATOM 926 CA ARG A 66 -2.851 4.989 -20.169 1.00 0.00 C ATOM 927 C ARG A 66 -4.145 5.683 -19.752 1.00 0.00 C ATOM 928 O ARG A 66 -4.563 6.663 -20.368 1.00 0.00 O ATOM 929 CB ARG A 66 -2.345 5.580 -21.486 1.00 0.00 C ATOM 930 CG ARG A 66 -0.955 5.103 -21.874 1.00 0.00 C ATOM 931 CD ARG A 66 -1.017 3.846 -22.729 1.00 0.00 C ATOM 932 NE ARG A 66 -1.343 4.147 -24.120 1.00 0.00 N ATOM 933 CZ ARG A 66 -1.050 3.341 -25.134 1.00 0.00 C ATOM 934 NH1 ARG A 66 -0.426 2.192 -24.913 1.00 0.00 N ATOM 935 NH2 ARG A 66 -1.380 3.684 -26.373 1.00 0.00 N ATOM 0 H ARG A 66 -2.465 2.985 -19.691 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.104 5.155 -19.393 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.044 5.322 -22.282 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.338 6.667 -21.408 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.438 5.891 -22.421 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.373 4.904 -20.974 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.058 3.330 -22.685 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.764 3.166 -22.320 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.822 5.024 -24.324 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.170 1.925 -23.962 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.202 1.575 -25.694 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.859 4.567 -26.547 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.154 3.064 -27.151 1.00 0.00 H new ATOM 949 N VAL A 67 -4.775 5.166 -18.701 1.00 0.00 N ATOM 950 CA VAL A 67 -6.021 5.735 -18.201 1.00 0.00 C ATOM 951 C VAL A 67 -5.806 6.443 -16.868 1.00 0.00 C ATOM 952 O VAL A 67 -5.136 5.935 -15.969 1.00 0.00 O ATOM 953 CB VAL A 67 -7.103 4.652 -18.027 1.00 0.00 C ATOM 954 CG1 VAL A 67 -6.869 3.866 -16.746 1.00 0.00 C ATOM 955 CG2 VAL A 67 -8.489 5.279 -18.032 1.00 0.00 C ATOM 0 H VAL A 67 -4.443 4.355 -18.180 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.359 6.459 -18.943 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.039 3.960 -18.867 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.643 3.105 -16.639 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.891 3.386 -16.787 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.905 4.543 -15.892 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.241 4.500 -17.908 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.568 5.993 -17.213 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.652 5.794 -18.979 1.00 0.00 H new ATOM 965 N PRO A 68 -6.387 7.645 -16.736 1.00 0.00 N ATOM 966 CA PRO A 68 -6.274 8.448 -15.515 1.00 0.00 C ATOM 967 C PRO A 68 -7.042 7.839 -14.347 1.00 0.00 C ATOM 968 O PRO A 68 -8.272 7.888 -14.307 1.00 0.00 O ATOM 969 CB PRO A 68 -6.889 9.791 -15.916 1.00 0.00 C ATOM 970 CG PRO A 68 -7.823 9.463 -17.029 1.00 0.00 C ATOM 971 CD PRO A 68 -7.200 8.311 -17.767 1.00 0.00 C ATOM 0 HA PRO A 68 -5.243 8.521 -15.170 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.416 10.251 -15.080 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -6.123 10.497 -16.237 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -8.807 9.194 -16.646 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.961 10.320 -17.688 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -7.956 7.641 -18.178 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.589 8.652 -18.602 1.00 0.00 H new ATOM 979 N TYR A 69 -6.310 7.266 -13.398 1.00 0.00 N ATOM 980 CA TYR A 69 -6.923 6.645 -12.230 1.00 0.00 C ATOM 981 C TYR A 69 -6.566 7.408 -10.958 1.00 0.00 C ATOM 982 O TYR A 69 -5.456 7.916 -10.798 1.00 0.00 O ATOM 983 CB TYR A 69 -6.475 5.188 -12.106 1.00 0.00 C ATOM 984 CG TYR A 69 -4.978 5.024 -11.968 1.00 0.00 C ATOM 985 CD1 TYR A 69 -4.355 5.170 -10.735 1.00 0.00 C ATOM 986 CD2 TYR A 69 -4.187 4.725 -13.070 1.00 0.00 C ATOM 987 CE1 TYR A 69 -2.988 5.022 -10.604 1.00 0.00 C ATOM 988 CE2 TYR A 69 -2.820 4.573 -12.948 1.00 0.00 C ATOM 989 CZ TYR A 69 -2.225 4.723 -11.713 1.00 0.00 C ATOM 990 OH TYR A 69 -0.862 4.575 -11.588 1.00 0.00 O ATOM 0 H TYR A 69 -5.291 7.219 -13.415 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.005 6.675 -12.360 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.962 4.739 -11.240 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -6.813 4.637 -12.984 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -4.950 5.403 -9.864 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -4.649 4.609 -14.039 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.519 5.140 -9.638 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.220 4.338 -13.815 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.474 4.365 -12.463 1.00 0.00 H new ATOM 1000 N PRO A 70 -7.530 7.491 -10.029 1.00 0.00 N ATOM 1001 CA PRO A 70 -7.343 8.189 -8.753 1.00 0.00 C ATOM 1002 C PRO A 70 -6.378 7.455 -7.828 1.00 0.00 C ATOM 1003 O PRO A 70 -6.688 6.377 -7.320 1.00 0.00 O ATOM 1004 CB PRO A 70 -8.750 8.210 -8.151 1.00 0.00 C ATOM 1005 CG PRO A 70 -9.443 7.044 -8.765 1.00 0.00 C ATOM 1006 CD PRO A 70 -8.878 6.909 -10.152 1.00 0.00 C ATOM 0 HA PRO A 70 -6.908 9.179 -8.889 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.717 8.124 -7.065 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -9.265 9.143 -8.381 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.271 6.138 -8.184 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.521 7.203 -8.797 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -8.839 5.867 -10.470 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.481 7.444 -10.886 1.00 0.00 H new ATOM 1014 N PHE A 71 -5.208 8.046 -7.612 1.00 0.00 N ATOM 1015 CA PHE A 71 -4.197 7.448 -6.747 1.00 0.00 C ATOM 1016 C PHE A 71 -4.761 7.182 -5.355 1.00 0.00 C ATOM 1017 O PHE A 71 -5.695 7.851 -4.913 1.00 0.00 O ATOM 1018 CB PHE A 71 -2.974 8.362 -6.649 1.00 0.00 C ATOM 1019 CG PHE A 71 -1.699 7.626 -6.352 1.00 0.00 C ATOM 1020 CD1 PHE A 71 -1.194 6.698 -7.247 1.00 0.00 C ATOM 1021 CD2 PHE A 71 -1.005 7.863 -5.176 1.00 0.00 C ATOM 1022 CE1 PHE A 71 -0.020 6.019 -6.977 1.00 0.00 C ATOM 1023 CE2 PHE A 71 0.169 7.189 -4.900 1.00 0.00 C ATOM 1024 CZ PHE A 71 0.662 6.265 -5.802 1.00 0.00 C ATOM 0 H PHE A 71 -4.936 8.939 -8.024 1.00 0.00 H new ATOM 0 HA PHE A 71 -3.896 6.496 -7.185 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.860 8.906 -7.587 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -3.146 9.104 -5.869 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.724 6.502 -8.168 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.386 8.583 -4.467 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.363 5.298 -7.684 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.701 7.384 -3.980 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.579 5.736 -5.588 1.00 0.00 H new ATOM 1034 N GLY A 72 -4.188 6.199 -4.667 1.00 0.00 N ATOM 1035 CA GLY A 72 -4.646 5.861 -3.333 1.00 0.00 C ATOM 1036 C GLY A 72 -5.842 4.930 -3.349 1.00 0.00 C ATOM 1037 O GLY A 72 -6.013 4.114 -2.445 1.00 0.00 O ATOM 0 H GLY A 72 -3.414 5.630 -5.011 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.832 5.392 -2.781 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.908 6.775 -2.800 1.00 0.00 H new ATOM 1041 N ASN A 73 -6.672 5.054 -4.379 1.00 0.00 N ATOM 1042 CA ASN A 73 -7.860 4.218 -4.508 1.00 0.00 C ATOM 1043 C ASN A 73 -7.510 2.865 -5.121 1.00 0.00 C ATOM 1044 O ASN A 73 -8.236 2.350 -5.972 1.00 0.00 O ATOM 1045 CB ASN A 73 -8.914 4.921 -5.365 1.00 0.00 C ATOM 1046 CG ASN A 73 -9.663 5.994 -4.598 1.00 0.00 C ATOM 1047 OD1 ASN A 73 -9.118 6.612 -3.683 1.00 0.00 O ATOM 1048 ND2 ASN A 73 -10.918 6.218 -4.967 1.00 0.00 N ATOM 0 H ASN A 73 -6.544 5.725 -5.136 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.265 4.051 -3.510 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -8.432 5.369 -6.234 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -9.624 4.184 -5.740 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.472 6.927 -4.486 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -11.328 5.681 -5.731 1.00 0.00 H new ATOM 1055 N LEU A 74 -6.393 2.295 -4.682 1.00 0.00 N ATOM 1056 CA LEU A 74 -5.945 1.001 -5.187 1.00 0.00 C ATOM 1057 C LEU A 74 -6.030 -0.066 -4.100 1.00 0.00 C ATOM 1058 O LEU A 74 -5.549 0.129 -2.984 1.00 0.00 O ATOM 1059 CB LEU A 74 -4.510 1.103 -5.706 1.00 0.00 C ATOM 1060 CG LEU A 74 -4.272 2.118 -6.825 1.00 0.00 C ATOM 1061 CD1 LEU A 74 -2.856 2.669 -6.753 1.00 0.00 C ATOM 1062 CD2 LEU A 74 -4.531 1.484 -8.184 1.00 0.00 C ATOM 0 H LEU A 74 -5.781 2.708 -3.978 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.602 0.711 -6.007 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.859 1.356 -4.869 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.203 0.120 -6.063 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.969 2.945 -6.694 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.705 3.390 -7.557 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.705 3.161 -5.792 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.142 1.852 -6.859 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.357 2.221 -8.968 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.858 0.638 -8.325 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.564 1.139 -8.234 1.00 0.00 H new ATOM 1074 N LYS A 75 -6.645 -1.196 -4.435 1.00 0.00 N ATOM 1075 CA LYS A 75 -6.790 -2.296 -3.490 1.00 0.00 C ATOM 1076 C LYS A 75 -5.513 -3.128 -3.422 1.00 0.00 C ATOM 1077 O LYS A 75 -4.782 -3.268 -4.403 1.00 0.00 O ATOM 1078 CB LYS A 75 -7.970 -3.186 -3.890 1.00 0.00 C ATOM 1079 CG LYS A 75 -9.325 -2.547 -3.641 1.00 0.00 C ATOM 1080 CD LYS A 75 -9.757 -2.701 -2.192 1.00 0.00 C ATOM 1081 CE LYS A 75 -10.874 -1.731 -1.838 1.00 0.00 C ATOM 1082 NZ LYS A 75 -12.214 -2.275 -2.193 1.00 0.00 N ATOM 0 H LYS A 75 -7.051 -1.373 -5.354 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.979 -1.872 -2.504 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.884 -3.435 -4.948 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.912 -4.123 -3.336 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.282 -1.489 -3.898 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.069 -3.004 -4.294 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.093 -3.723 -2.018 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.903 -2.530 -1.536 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.841 -1.514 -0.770 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.715 -0.788 -2.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.948 -1.585 -1.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.254 -2.459 -3.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.377 -3.162 -1.675 1.00 0.00 H new ATOM 1096 N PRO A 76 -5.237 -3.694 -2.238 1.00 0.00 N ATOM 1097 CA PRO A 76 -4.049 -4.523 -2.015 1.00 0.00 C ATOM 1098 C PRO A 76 -4.128 -5.859 -2.746 1.00 0.00 C ATOM 1099 O PRO A 76 -3.234 -6.695 -2.628 1.00 0.00 O ATOM 1100 CB PRO A 76 -4.048 -4.742 -0.500 1.00 0.00 C ATOM 1101 CG PRO A 76 -5.474 -4.593 -0.095 1.00 0.00 C ATOM 1102 CD PRO A 76 -6.064 -3.569 -1.026 1.00 0.00 C ATOM 0 HA PRO A 76 -3.144 -4.047 -2.391 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.665 -5.729 -0.243 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.415 -4.013 0.005 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -6.003 -5.543 -0.173 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.553 -4.269 0.943 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -7.115 -3.772 -1.234 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -6.011 -2.565 -0.605 1.00 0.00 H new