USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1023 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 20 GLN : amide:sc= 0.0853 K(o=-6.2,f=-16!) USER MOD Set 1.2: A 78 GLN : amide:sc= -6.25! C(o=-6.2!,f=-12!) USER MOD Set 2.1: A 39 THR OG1 : rot 180:sc= 0.23 USER MOD Set 2.2: A 40 THR OG1 : rot -150:sc= 0.112 USER MOD Set 3.1: A 8 GLN : amide:sc= -0.201 X(o=-1.7,f=-1.9) USER MOD Set 3.2: A 124 TYR OH : rot 180:sc= -1.52! USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 40:sc= 0.56 USER MOD Single : A 18 THR OG1 : rot 86:sc= 1.12 USER MOD Single : A 21 LYS NZ :NH3+ -154:sc= -0.0107 (180deg=-0.489) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.408 USER MOD Single : A 25 THR OG1 : rot -105:sc= 0.00675 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0117 USER MOD Single : A 30 THR OG1 : rot -160:sc= -0.146 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 152:sc= -0.0355 (180deg=-0.92) USER MOD Single : A 38 ASN : amide:sc= -1.4! C(o=-1.4!,f=-5.8!) USER MOD Single : A 42 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.0178) USER MOD Single : A 44 THR OG1 : rot 178:sc= -0.476! USER MOD Single : A 50 THR OG1 : rot 170:sc= 0.0925 USER MOD Single : A 54 GLN : amide:sc= -0.383 K(o=-0.38,f=-2.8!) USER MOD Single : A 56 TYR OH : rot 30:sc= -5.39! USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -0.187 X(o=-0.19,f=0) USER MOD Single : A 59 HIS : no HD1:sc= -3.63! C(o=-3.6!,f=-5.5!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.379 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= -9.37! C(o=-9.4!,f=-16!) USER MOD Single : A 74 HIS : no HD1:sc= -0.494 X(o=-0.49,f=-0.62) USER MOD Single : A 76 HIS : no HD1:sc= -6.05! C(o=-6.1!,f=-11!) USER MOD Single : A 77 LYS NZ :NH3+ -117:sc= -1.3 (180deg=-3.07!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -13.2! C(o=-13!,f=-16!) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0.28) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 SER OG : rot 180:sc= -0.167 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.0624 K(o=-0.062,f=-0.63) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 87:sc= 0.702 USER MOD Single : A 120 MET CE :methyl -132:sc= -2.18! (180deg=-4.37!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 52 N ASP A 4 14.658 5.097 -26.275 1.00 0.00 N ATOM 53 CA ASP A 4 13.684 6.170 -26.621 1.00 0.00 C ATOM 54 C ASP A 4 14.187 7.513 -26.090 1.00 0.00 C ATOM 55 O ASP A 4 15.128 7.580 -25.324 1.00 0.00 O ATOM 56 CB ASP A 4 12.328 5.853 -25.988 1.00 0.00 C ATOM 57 CG ASP A 4 12.128 4.337 -25.932 1.00 0.00 C ATOM 58 OD1 ASP A 4 12.663 3.722 -25.024 1.00 0.00 O ATOM 59 OD2 ASP A 4 11.442 3.817 -26.796 1.00 0.00 O ATOM 0 HA ASP A 4 13.579 6.224 -27.705 1.00 0.00 H new ATOM 0 HB2 ASP A 4 12.277 6.274 -24.984 1.00 0.00 H new ATOM 0 HB3 ASP A 4 11.528 6.314 -26.568 1.00 0.00 H new ATOM 64 N ILE A 5 13.569 8.582 -26.502 1.00 0.00 N ATOM 65 CA ILE A 5 13.993 9.926 -26.043 1.00 0.00 C ATOM 66 C ILE A 5 13.641 10.129 -24.569 1.00 0.00 C ATOM 67 O ILE A 5 14.304 10.857 -23.862 1.00 0.00 O ATOM 68 CB ILE A 5 13.264 10.941 -26.896 1.00 0.00 C ATOM 69 CG1 ILE A 5 13.529 10.591 -28.359 1.00 0.00 C ATOM 70 CG2 ILE A 5 13.767 12.354 -26.584 1.00 0.00 C ATOM 71 CD1 ILE A 5 14.930 11.063 -28.751 1.00 0.00 C ATOM 0 H ILE A 5 12.778 8.579 -27.146 1.00 0.00 H new ATOM 0 HA ILE A 5 15.073 10.038 -26.141 1.00 0.00 H new ATOM 0 HB ILE A 5 12.194 10.917 -26.689 1.00 0.00 H new ATOM 0 HG12 ILE A 5 13.441 9.515 -28.508 1.00 0.00 H new ATOM 0 HG13 ILE A 5 12.783 11.063 -28.998 1.00 0.00 H new ATOM 0 HG21 ILE A 5 13.235 13.075 -27.204 1.00 0.00 H new ATOM 0 HG22 ILE A 5 13.590 12.579 -25.532 1.00 0.00 H new ATOM 0 HG23 ILE A 5 14.835 12.414 -26.793 1.00 0.00 H new ATOM 0 HD11 ILE A 5 15.119 10.813 -29.795 1.00 0.00 H new ATOM 0 HD12 ILE A 5 15.001 12.142 -28.618 1.00 0.00 H new ATOM 0 HD13 ILE A 5 15.670 10.570 -28.120 1.00 0.00 H new ATOM 83 N THR A 6 12.600 9.504 -24.101 1.00 0.00 N ATOM 84 CA THR A 6 12.211 9.677 -22.674 1.00 0.00 C ATOM 85 C THR A 6 13.432 9.460 -21.780 1.00 0.00 C ATOM 86 O THR A 6 13.709 10.238 -20.888 1.00 0.00 O ATOM 87 CB THR A 6 11.130 8.653 -22.317 1.00 0.00 C ATOM 88 OG1 THR A 6 10.044 8.780 -23.223 1.00 0.00 O ATOM 89 CG2 THR A 6 10.640 8.902 -20.891 1.00 0.00 C ATOM 0 H THR A 6 12.001 8.881 -24.643 1.00 0.00 H new ATOM 0 HA THR A 6 11.826 10.685 -22.521 1.00 0.00 H new ATOM 0 HB THR A 6 11.544 7.647 -22.385 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.351 8.124 -22.998 1.00 0.00 H new ATOM 0 HG21 THR A 6 9.871 8.173 -20.638 1.00 0.00 H new ATOM 0 HG22 THR A 6 11.475 8.804 -20.197 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.225 9.907 -20.819 1.00 0.00 H new ATOM 97 N LEU A 7 14.153 8.401 -22.003 1.00 0.00 N ATOM 98 CA LEU A 7 15.342 8.121 -21.160 1.00 0.00 C ATOM 99 C LEU A 7 16.466 9.110 -21.446 1.00 0.00 C ATOM 100 O LEU A 7 17.022 9.694 -20.539 1.00 0.00 O ATOM 101 CB LEU A 7 15.864 6.686 -21.367 1.00 0.00 C ATOM 102 CG LEU A 7 15.838 6.205 -22.829 1.00 0.00 C ATOM 103 CD1 LEU A 7 16.760 4.993 -22.944 1.00 0.00 C ATOM 104 CD2 LEU A 7 14.421 5.764 -23.214 1.00 0.00 C ATOM 0 H LEU A 7 13.969 7.715 -22.735 1.00 0.00 H new ATOM 0 HA LEU A 7 15.022 8.230 -20.124 1.00 0.00 H new ATOM 0 HB2 LEU A 7 16.887 6.628 -20.996 1.00 0.00 H new ATOM 0 HB3 LEU A 7 15.266 6.004 -20.762 1.00 0.00 H new ATOM 0 HG LEU A 7 16.158 7.014 -23.485 1.00 0.00 H new ATOM 0 HD11 LEU A 7 16.760 4.632 -23.972 1.00 0.00 H new ATOM 0 HD12 LEU A 7 17.773 5.278 -22.660 1.00 0.00 H new ATOM 0 HD13 LEU A 7 16.406 4.203 -22.282 1.00 0.00 H new ATOM 0 HD21 LEU A 7 14.414 5.426 -24.250 1.00 0.00 H new ATOM 0 HD22 LEU A 7 14.105 4.948 -22.564 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.735 6.604 -23.102 1.00 0.00 H new ATOM 116 N GLN A 8 16.823 9.309 -22.679 1.00 0.00 N ATOM 117 CA GLN A 8 17.929 10.266 -22.960 1.00 0.00 C ATOM 118 C GLN A 8 17.665 11.555 -22.193 1.00 0.00 C ATOM 119 O GLN A 8 18.563 12.215 -21.710 1.00 0.00 O ATOM 120 CB GLN A 8 17.990 10.565 -24.459 1.00 0.00 C ATOM 121 CG GLN A 8 18.734 9.437 -25.177 1.00 0.00 C ATOM 122 CD GLN A 8 18.251 9.347 -26.626 1.00 0.00 C ATOM 123 OE1 GLN A 8 17.747 8.324 -27.047 1.00 0.00 O ATOM 124 NE2 GLN A 8 18.386 10.381 -27.411 1.00 0.00 N ATOM 0 H GLN A 8 16.407 8.860 -23.495 1.00 0.00 H new ATOM 0 HA GLN A 8 18.879 9.833 -22.648 1.00 0.00 H new ATOM 0 HB2 GLN A 8 16.982 10.664 -24.862 1.00 0.00 H new ATOM 0 HB3 GLN A 8 18.496 11.515 -24.630 1.00 0.00 H new ATOM 0 HG2 GLN A 8 19.808 9.622 -25.151 1.00 0.00 H new ATOM 0 HG3 GLN A 8 18.561 8.490 -24.666 1.00 0.00 H new ATOM 0 HE21 GLN A 8 18.809 11.239 -27.056 1.00 0.00 H new ATOM 0 HE22 GLN A 8 18.068 10.331 -28.379 1.00 0.00 H new ATOM 133 N GLU A 9 16.428 11.898 -22.079 1.00 0.00 N ATOM 134 CA GLU A 9 16.037 13.130 -21.340 1.00 0.00 C ATOM 135 C GLU A 9 16.242 12.932 -19.832 1.00 0.00 C ATOM 136 O GLU A 9 16.811 13.768 -19.158 1.00 0.00 O ATOM 137 CB GLU A 9 14.564 13.440 -21.612 1.00 0.00 C ATOM 138 CG GLU A 9 14.442 14.246 -22.906 1.00 0.00 C ATOM 139 CD GLU A 9 13.041 14.063 -23.493 1.00 0.00 C ATOM 140 OE1 GLU A 9 12.584 12.933 -23.539 1.00 0.00 O ATOM 141 OE2 GLU A 9 12.449 15.055 -23.884 1.00 0.00 O ATOM 0 H GLU A 9 15.648 11.371 -22.472 1.00 0.00 H new ATOM 0 HA GLU A 9 16.660 13.958 -21.679 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.996 12.514 -21.693 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.140 14.002 -20.780 1.00 0.00 H new ATOM 0 HG2 GLU A 9 14.630 15.301 -22.708 1.00 0.00 H new ATOM 0 HG3 GLU A 9 15.194 13.917 -23.623 1.00 0.00 H new ATOM 148 N ILE A 10 15.755 11.842 -19.295 1.00 0.00 N ATOM 149 CA ILE A 10 15.887 11.599 -17.830 1.00 0.00 C ATOM 150 C ILE A 10 17.358 11.673 -17.409 1.00 0.00 C ATOM 151 O ILE A 10 17.698 12.350 -16.466 1.00 0.00 O ATOM 152 CB ILE A 10 15.280 10.221 -17.500 1.00 0.00 C ATOM 153 CG1 ILE A 10 13.828 10.407 -17.043 1.00 0.00 C ATOM 154 CG2 ILE A 10 16.066 9.528 -16.377 1.00 0.00 C ATOM 155 CD1 ILE A 10 13.049 11.223 -18.080 1.00 0.00 C ATOM 0 H ILE A 10 15.270 11.108 -19.812 1.00 0.00 H new ATOM 0 HA ILE A 10 15.349 12.367 -17.274 1.00 0.00 H new ATOM 0 HB ILE A 10 15.325 9.601 -18.396 1.00 0.00 H new ATOM 0 HG12 ILE A 10 13.355 9.435 -16.904 1.00 0.00 H new ATOM 0 HG13 ILE A 10 13.804 10.914 -16.078 1.00 0.00 H new ATOM 0 HG21 ILE A 10 15.617 8.558 -16.164 1.00 0.00 H new ATOM 0 HG22 ILE A 10 17.101 9.388 -16.690 1.00 0.00 H new ATOM 0 HG23 ILE A 10 16.039 10.146 -15.479 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.019 11.349 -17.745 1.00 0.00 H new ATOM 0 HD12 ILE A 10 13.515 12.202 -18.197 1.00 0.00 H new ATOM 0 HD13 ILE A 10 13.058 10.700 -19.036 1.00 0.00 H new ATOM 167 N ILE A 11 18.234 10.984 -18.082 1.00 0.00 N ATOM 168 CA ILE A 11 19.666 11.037 -17.678 1.00 0.00 C ATOM 169 C ILE A 11 20.089 12.498 -17.520 1.00 0.00 C ATOM 170 O ILE A 11 20.922 12.828 -16.699 1.00 0.00 O ATOM 171 CB ILE A 11 20.531 10.347 -18.740 1.00 0.00 C ATOM 172 CG1 ILE A 11 20.412 8.828 -18.581 1.00 0.00 C ATOM 173 CG2 ILE A 11 21.996 10.757 -18.568 1.00 0.00 C ATOM 174 CD1 ILE A 11 20.533 8.157 -19.951 1.00 0.00 C ATOM 0 H ILE A 11 18.025 10.392 -18.886 1.00 0.00 H new ATOM 0 HA ILE A 11 19.800 10.519 -16.729 1.00 0.00 H new ATOM 0 HB ILE A 11 20.187 10.646 -19.730 1.00 0.00 H new ATOM 0 HG12 ILE A 11 21.192 8.460 -17.914 1.00 0.00 H new ATOM 0 HG13 ILE A 11 19.456 8.574 -18.124 1.00 0.00 H new ATOM 0 HG21 ILE A 11 22.604 10.263 -19.326 1.00 0.00 H new ATOM 0 HG22 ILE A 11 22.087 11.838 -18.678 1.00 0.00 H new ATOM 0 HG23 ILE A 11 22.342 10.463 -17.577 1.00 0.00 H new ATOM 0 HD11 ILE A 11 20.448 7.076 -19.836 1.00 0.00 H new ATOM 0 HD12 ILE A 11 19.737 8.516 -20.604 1.00 0.00 H new ATOM 0 HD13 ILE A 11 21.500 8.400 -20.391 1.00 0.00 H new ATOM 186 N LYS A 12 19.516 13.380 -18.290 1.00 0.00 N ATOM 187 CA LYS A 12 19.881 14.818 -18.167 1.00 0.00 C ATOM 188 C LYS A 12 19.507 15.314 -16.767 1.00 0.00 C ATOM 189 O LYS A 12 20.264 16.012 -16.120 1.00 0.00 O ATOM 190 CB LYS A 12 19.120 15.630 -19.217 1.00 0.00 C ATOM 191 CG LYS A 12 19.720 17.034 -19.312 1.00 0.00 C ATOM 192 CD LYS A 12 18.967 17.841 -20.371 1.00 0.00 C ATOM 193 CE LYS A 12 17.570 18.187 -19.850 1.00 0.00 C ATOM 194 NZ LYS A 12 16.842 18.987 -20.875 1.00 0.00 N ATOM 0 H LYS A 12 18.812 13.168 -18.997 1.00 0.00 H new ATOM 0 HA LYS A 12 20.953 14.939 -18.325 1.00 0.00 H new ATOM 0 HB2 LYS A 12 19.175 15.133 -20.186 1.00 0.00 H new ATOM 0 HB3 LYS A 12 18.065 15.691 -18.950 1.00 0.00 H new ATOM 0 HG2 LYS A 12 19.657 17.534 -18.346 1.00 0.00 H new ATOM 0 HG3 LYS A 12 20.777 16.972 -19.570 1.00 0.00 H new ATOM 0 HD2 LYS A 12 19.515 18.753 -20.607 1.00 0.00 H new ATOM 0 HD3 LYS A 12 18.891 17.267 -21.295 1.00 0.00 H new ATOM 0 HE2 LYS A 12 17.018 17.275 -19.626 1.00 0.00 H new ATOM 0 HE3 LYS A 12 17.646 18.750 -18.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.893 19.222 -20.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 17.367 19.864 -21.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 16.758 18.434 -21.752 1.00 0.00 H new ATOM 208 N THR A 13 18.341 14.961 -16.293 1.00 0.00 N ATOM 209 CA THR A 13 17.911 15.409 -14.939 1.00 0.00 C ATOM 210 C THR A 13 18.744 14.705 -13.865 1.00 0.00 C ATOM 211 O THR A 13 19.284 15.335 -12.978 1.00 0.00 O ATOM 212 CB THR A 13 16.428 15.076 -14.743 1.00 0.00 C ATOM 213 OG1 THR A 13 15.641 15.939 -15.551 1.00 0.00 O ATOM 214 CG2 THR A 13 16.043 15.261 -13.274 1.00 0.00 C ATOM 0 H THR A 13 17.666 14.379 -16.789 1.00 0.00 H new ATOM 0 HA THR A 13 18.059 16.485 -14.852 1.00 0.00 H new ATOM 0 HB THR A 13 16.251 14.040 -15.032 1.00 0.00 H new ATOM 0 HG1 THR A 13 14.692 15.727 -15.429 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.988 15.023 -13.142 1.00 0.00 H new ATOM 0 HG22 THR A 13 16.645 14.597 -12.654 1.00 0.00 H new ATOM 0 HG23 THR A 13 16.221 16.295 -12.979 1.00 0.00 H new ATOM 222 N LEU A 14 18.861 13.406 -13.935 1.00 0.00 N ATOM 223 CA LEU A 14 19.665 12.680 -12.916 1.00 0.00 C ATOM 224 C LEU A 14 21.061 13.300 -12.857 1.00 0.00 C ATOM 225 O LEU A 14 21.687 13.357 -11.817 1.00 0.00 O ATOM 226 CB LEU A 14 19.775 11.202 -13.312 1.00 0.00 C ATOM 227 CG LEU A 14 18.482 10.466 -12.940 1.00 0.00 C ATOM 228 CD1 LEU A 14 17.272 11.304 -13.361 1.00 0.00 C ATOM 229 CD2 LEU A 14 18.436 9.113 -13.659 1.00 0.00 C ATOM 0 H LEU A 14 18.435 12.820 -14.653 1.00 0.00 H new ATOM 0 HA LEU A 14 19.186 12.755 -11.940 1.00 0.00 H new ATOM 0 HB2 LEU A 14 19.958 11.116 -14.383 1.00 0.00 H new ATOM 0 HB3 LEU A 14 20.624 10.743 -12.806 1.00 0.00 H new ATOM 0 HG LEU A 14 18.457 10.308 -11.862 1.00 0.00 H new ATOM 0 HD11 LEU A 14 16.355 10.778 -13.095 1.00 0.00 H new ATOM 0 HD12 LEU A 14 17.300 12.266 -12.849 1.00 0.00 H new ATOM 0 HD13 LEU A 14 17.298 11.465 -14.439 1.00 0.00 H new ATOM 0 HD21 LEU A 14 17.517 8.591 -13.394 1.00 0.00 H new ATOM 0 HD22 LEU A 14 18.465 9.273 -14.737 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.294 8.512 -13.358 1.00 0.00 H new ATOM 241 N ASN A 15 21.550 13.767 -13.972 1.00 0.00 N ATOM 242 CA ASN A 15 22.903 14.387 -13.999 1.00 0.00 C ATOM 243 C ASN A 15 22.870 15.749 -13.279 1.00 0.00 C ATOM 244 O ASN A 15 23.699 16.019 -12.433 1.00 0.00 O ATOM 245 CB ASN A 15 23.331 14.596 -15.454 1.00 0.00 C ATOM 246 CG ASN A 15 24.571 13.749 -15.746 1.00 0.00 C ATOM 247 OD1 ASN A 15 24.461 12.599 -16.122 1.00 0.00 O ATOM 248 ND2 ASN A 15 25.756 14.272 -15.588 1.00 0.00 N ATOM 0 H ASN A 15 21.067 13.745 -14.870 1.00 0.00 H new ATOM 0 HA ASN A 15 23.611 13.730 -13.493 1.00 0.00 H new ATOM 0 HB2 ASN A 15 22.520 14.317 -16.127 1.00 0.00 H new ATOM 0 HB3 ASN A 15 23.546 15.649 -15.634 1.00 0.00 H new ATOM 0 HD21 ASN A 15 26.589 13.715 -15.780 1.00 0.00 H new ATOM 0 HD22 ASN A 15 25.849 15.237 -15.272 1.00 0.00 H new ATOM 255 N SER A 16 21.932 16.627 -13.606 1.00 0.00 N ATOM 256 CA SER A 16 21.900 17.956 -12.928 1.00 0.00 C ATOM 257 C SER A 16 21.839 17.776 -11.408 1.00 0.00 C ATOM 258 O SER A 16 22.602 18.372 -10.676 1.00 0.00 O ATOM 259 CB SER A 16 20.669 18.735 -13.396 1.00 0.00 C ATOM 260 OG SER A 16 19.624 17.825 -13.711 1.00 0.00 O ATOM 0 H SER A 16 21.203 16.473 -14.303 1.00 0.00 H new ATOM 0 HA SER A 16 22.806 18.505 -13.184 1.00 0.00 H new ATOM 0 HB2 SER A 16 20.343 19.424 -12.616 1.00 0.00 H new ATOM 0 HB3 SER A 16 20.917 19.337 -14.270 1.00 0.00 H new ATOM 0 HG SER A 16 19.612 17.100 -13.052 1.00 0.00 H new ATOM 266 N LEU A 17 20.933 16.971 -10.926 1.00 0.00 N ATOM 267 CA LEU A 17 20.828 16.772 -9.453 1.00 0.00 C ATOM 268 C LEU A 17 22.161 16.256 -8.901 1.00 0.00 C ATOM 269 O LEU A 17 22.512 16.515 -7.767 1.00 0.00 O ATOM 270 CB LEU A 17 19.716 15.762 -9.147 1.00 0.00 C ATOM 271 CG LEU A 17 18.449 16.144 -9.920 1.00 0.00 C ATOM 272 CD1 LEU A 17 17.256 15.335 -9.394 1.00 0.00 C ATOM 273 CD2 LEU A 17 18.170 17.637 -9.733 1.00 0.00 C ATOM 0 H LEU A 17 20.263 16.444 -11.486 1.00 0.00 H new ATOM 0 HA LEU A 17 20.590 17.724 -8.979 1.00 0.00 H new ATOM 0 HB2 LEU A 17 20.036 14.758 -9.426 1.00 0.00 H new ATOM 0 HB3 LEU A 17 19.510 15.745 -8.077 1.00 0.00 H new ATOM 0 HG LEU A 17 18.594 15.927 -10.978 1.00 0.00 H new ATOM 0 HD11 LEU A 17 16.358 15.610 -9.947 1.00 0.00 H new ATOM 0 HD12 LEU A 17 17.451 14.271 -9.526 1.00 0.00 H new ATOM 0 HD13 LEU A 17 17.110 15.548 -8.335 1.00 0.00 H new ATOM 0 HD21 LEU A 17 17.269 17.910 -10.282 1.00 0.00 H new ATOM 0 HD22 LEU A 17 18.028 17.851 -8.674 1.00 0.00 H new ATOM 0 HD23 LEU A 17 19.014 18.215 -10.110 1.00 0.00 H new ATOM 285 N THR A 18 22.906 15.529 -9.688 1.00 0.00 N ATOM 286 CA THR A 18 24.212 15.002 -9.194 1.00 0.00 C ATOM 287 C THR A 18 25.204 16.145 -9.037 1.00 0.00 C ATOM 288 O THR A 18 25.885 16.270 -8.038 1.00 0.00 O ATOM 289 CB THR A 18 24.762 13.978 -10.192 1.00 0.00 C ATOM 290 OG1 THR A 18 23.743 13.041 -10.515 1.00 0.00 O ATOM 291 CG2 THR A 18 25.953 13.247 -9.571 1.00 0.00 C ATOM 0 H THR A 18 22.669 15.277 -10.648 1.00 0.00 H new ATOM 0 HA THR A 18 24.062 14.522 -8.227 1.00 0.00 H new ATOM 0 HB THR A 18 25.086 14.490 -11.098 1.00 0.00 H new ATOM 0 HG1 THR A 18 23.193 13.394 -11.245 1.00 0.00 H new ATOM 0 HG21 THR A 18 26.344 12.519 -10.282 1.00 0.00 H new ATOM 0 HG22 THR A 18 26.733 13.967 -9.324 1.00 0.00 H new ATOM 0 HG23 THR A 18 25.632 12.734 -8.665 1.00 0.00 H new ATOM 299 N GLU A 19 25.284 16.973 -10.021 1.00 0.00 N ATOM 300 CA GLU A 19 26.225 18.127 -9.967 1.00 0.00 C ATOM 301 C GLU A 19 25.990 18.905 -8.681 1.00 0.00 C ATOM 302 O GLU A 19 26.883 19.513 -8.127 1.00 0.00 O ATOM 303 CB GLU A 19 25.995 19.039 -11.173 1.00 0.00 C ATOM 304 CG GLU A 19 27.290 19.154 -11.980 1.00 0.00 C ATOM 305 CD GLU A 19 27.253 18.166 -13.148 1.00 0.00 C ATOM 306 OE1 GLU A 19 26.431 17.265 -13.111 1.00 0.00 O ATOM 307 OE2 GLU A 19 28.047 18.328 -14.061 1.00 0.00 O ATOM 0 H GLU A 19 24.734 16.907 -10.877 1.00 0.00 H new ATOM 0 HA GLU A 19 27.252 17.762 -9.990 1.00 0.00 H new ATOM 0 HB2 GLU A 19 25.198 18.638 -11.799 1.00 0.00 H new ATOM 0 HB3 GLU A 19 25.673 20.026 -10.840 1.00 0.00 H new ATOM 0 HG2 GLU A 19 27.409 20.171 -12.354 1.00 0.00 H new ATOM 0 HG3 GLU A 19 28.149 18.947 -11.341 1.00 0.00 H new ATOM 314 N GLN A 20 24.790 18.874 -8.207 1.00 0.00 N ATOM 315 CA GLN A 20 24.458 19.595 -6.946 1.00 0.00 C ATOM 316 C GLN A 20 23.873 18.610 -5.930 1.00 0.00 C ATOM 317 O GLN A 20 22.777 18.112 -6.084 1.00 0.00 O ATOM 318 CB GLN A 20 23.457 20.718 -7.233 1.00 0.00 C ATOM 319 CG GLN A 20 22.286 20.162 -8.033 1.00 0.00 C ATOM 320 CD GLN A 20 21.112 21.142 -7.971 1.00 0.00 C ATOM 321 OE1 GLN A 20 21.032 21.958 -7.076 1.00 0.00 O ATOM 322 NE2 GLN A 20 20.191 21.094 -8.894 1.00 0.00 N ATOM 0 H GLN A 20 24.010 18.377 -8.637 1.00 0.00 H new ATOM 0 HA GLN A 20 25.366 20.035 -6.533 1.00 0.00 H new ATOM 0 HB2 GLN A 20 23.100 21.149 -6.298 1.00 0.00 H new ATOM 0 HB3 GLN A 20 23.943 21.520 -7.789 1.00 0.00 H new ATOM 0 HG2 GLN A 20 22.584 20.001 -9.069 1.00 0.00 H new ATOM 0 HG3 GLN A 20 21.986 19.193 -7.633 1.00 0.00 H new ATOM 0 HE21 GLN A 20 20.258 20.408 -9.646 1.00 0.00 H new ATOM 0 HE22 GLN A 20 19.404 21.742 -8.863 1.00 0.00 H new ATOM 331 N LYS A 21 24.606 18.319 -4.892 1.00 0.00 N ATOM 332 CA LYS A 21 24.103 17.361 -3.868 1.00 0.00 C ATOM 333 C LYS A 21 25.183 17.154 -2.805 1.00 0.00 C ATOM 334 O LYS A 21 25.883 16.163 -2.800 1.00 0.00 O ATOM 335 CB LYS A 21 23.778 16.023 -4.535 1.00 0.00 C ATOM 336 CG LYS A 21 22.298 15.697 -4.329 1.00 0.00 C ATOM 337 CD LYS A 21 21.800 14.826 -5.484 1.00 0.00 C ATOM 338 CE LYS A 21 20.396 15.274 -5.898 1.00 0.00 C ATOM 339 NZ LYS A 21 19.504 15.272 -4.704 1.00 0.00 N ATOM 0 H LYS A 21 25.533 18.703 -4.708 1.00 0.00 H new ATOM 0 HA LYS A 21 23.201 17.759 -3.403 1.00 0.00 H new ATOM 0 HB2 LYS A 21 24.006 16.070 -5.600 1.00 0.00 H new ATOM 0 HB3 LYS A 21 24.398 15.233 -4.111 1.00 0.00 H new ATOM 0 HG2 LYS A 21 22.158 15.177 -3.381 1.00 0.00 H new ATOM 0 HG3 LYS A 21 21.716 16.617 -4.277 1.00 0.00 H new ATOM 0 HD2 LYS A 21 22.482 14.903 -6.331 1.00 0.00 H new ATOM 0 HD3 LYS A 21 21.784 13.779 -5.182 1.00 0.00 H new ATOM 0 HE2 LYS A 21 20.435 16.272 -6.335 1.00 0.00 H new ATOM 0 HE3 LYS A 21 20.000 14.606 -6.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 18.518 15.137 -5.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 19.779 14.498 -4.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 19.591 16.180 -4.204 1.00 0.00 H new ATOM 353 N THR A 22 25.322 18.086 -1.903 1.00 0.00 N ATOM 354 CA THR A 22 26.360 17.942 -0.839 1.00 0.00 C ATOM 355 C THR A 22 25.700 17.467 0.457 1.00 0.00 C ATOM 356 O THR A 22 25.797 16.312 0.822 1.00 0.00 O ATOM 357 CB THR A 22 27.063 19.286 -0.591 1.00 0.00 C ATOM 358 OG1 THR A 22 27.361 19.410 0.791 1.00 0.00 O ATOM 359 CG2 THR A 22 26.163 20.448 -1.022 1.00 0.00 C ATOM 0 H THR A 22 24.765 18.939 -1.855 1.00 0.00 H new ATOM 0 HA THR A 22 27.100 17.212 -1.166 1.00 0.00 H new ATOM 0 HB THR A 22 27.982 19.317 -1.176 1.00 0.00 H new ATOM 0 HG1 THR A 22 27.811 20.265 0.953 1.00 0.00 H new ATOM 0 HG21 THR A 22 26.676 21.392 -0.840 1.00 0.00 H new ATOM 0 HG22 THR A 22 25.936 20.358 -2.084 1.00 0.00 H new ATOM 0 HG23 THR A 22 25.236 20.422 -0.449 1.00 0.00 H new ATOM 367 N LEU A 23 25.030 18.342 1.158 1.00 0.00 N ATOM 368 CA LEU A 23 24.372 17.924 2.427 1.00 0.00 C ATOM 369 C LEU A 23 23.005 17.314 2.123 1.00 0.00 C ATOM 370 O LEU A 23 22.209 17.076 3.009 1.00 0.00 O ATOM 371 CB LEU A 23 24.203 19.139 3.342 1.00 0.00 C ATOM 372 CG LEU A 23 25.435 19.275 4.239 1.00 0.00 C ATOM 373 CD1 LEU A 23 25.569 20.726 4.707 1.00 0.00 C ATOM 374 CD2 LEU A 23 25.284 18.360 5.456 1.00 0.00 C ATOM 0 H LEU A 23 24.911 19.324 0.907 1.00 0.00 H new ATOM 0 HA LEU A 23 24.993 17.180 2.926 1.00 0.00 H new ATOM 0 HB2 LEU A 23 24.072 20.042 2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 23 23.306 19.027 3.952 1.00 0.00 H new ATOM 0 HG LEU A 23 26.325 18.990 3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 23 26.447 20.823 5.346 1.00 0.00 H new ATOM 0 HD12 LEU A 23 25.677 21.379 3.841 1.00 0.00 H new ATOM 0 HD13 LEU A 23 24.679 21.011 5.268 1.00 0.00 H new ATOM 0 HD21 LEU A 23 26.162 18.457 6.095 1.00 0.00 H new ATOM 0 HD22 LEU A 23 24.394 18.644 6.017 1.00 0.00 H new ATOM 0 HD23 LEU A 23 25.189 17.326 5.124 1.00 0.00 H new ATOM 386 N CYS A 24 22.731 17.055 0.878 1.00 0.00 N ATOM 387 CA CYS A 24 21.412 16.453 0.515 1.00 0.00 C ATOM 388 C CYS A 24 21.545 14.931 0.406 1.00 0.00 C ATOM 389 O CYS A 24 20.942 14.203 1.165 1.00 0.00 O ATOM 390 CB CYS A 24 20.926 17.012 -0.819 1.00 0.00 C ATOM 391 SG CYS A 24 21.331 18.772 -0.928 1.00 0.00 S ATOM 0 H CYS A 24 23.359 17.232 0.094 1.00 0.00 H new ATOM 0 HA CYS A 24 20.691 16.702 1.294 1.00 0.00 H new ATOM 0 HB2 CYS A 24 21.392 16.470 -1.642 1.00 0.00 H new ATOM 0 HB3 CYS A 24 19.849 16.870 -0.913 1.00 0.00 H new ATOM 396 N THR A 25 22.321 14.445 -0.537 1.00 0.00 N ATOM 397 CA THR A 25 22.484 12.969 -0.685 1.00 0.00 C ATOM 398 C THR A 25 22.580 12.337 0.705 1.00 0.00 C ATOM 399 O THR A 25 22.848 13.011 1.679 1.00 0.00 O ATOM 400 CB THR A 25 23.764 12.673 -1.470 1.00 0.00 C ATOM 401 OG1 THR A 25 24.769 13.608 -1.105 1.00 0.00 O ATOM 402 CG2 THR A 25 23.482 12.782 -2.969 1.00 0.00 C ATOM 0 H THR A 25 22.845 15.008 -1.206 1.00 0.00 H new ATOM 0 HA THR A 25 21.629 12.555 -1.220 1.00 0.00 H new ATOM 0 HB THR A 25 24.106 11.664 -1.240 1.00 0.00 H new ATOM 0 HG1 THR A 25 24.884 14.263 -1.825 1.00 0.00 H new ATOM 0 HG21 THR A 25 24.394 12.571 -3.527 1.00 0.00 H new ATOM 0 HG22 THR A 25 22.712 12.063 -3.248 1.00 0.00 H new ATOM 0 HG23 THR A 25 23.139 13.790 -3.202 1.00 0.00 H new ATOM 410 N GLU A 26 22.338 11.056 0.803 1.00 0.00 N ATOM 411 CA GLU A 26 22.385 10.371 2.129 1.00 0.00 C ATOM 412 C GLU A 26 21.016 10.507 2.799 1.00 0.00 C ATOM 413 O GLU A 26 20.713 9.826 3.758 1.00 0.00 O ATOM 414 CB GLU A 26 23.465 10.993 3.019 1.00 0.00 C ATOM 415 CG GLU A 26 24.018 9.929 3.970 1.00 0.00 C ATOM 416 CD GLU A 26 23.693 10.316 5.414 1.00 0.00 C ATOM 417 OE1 GLU A 26 22.562 10.108 5.822 1.00 0.00 O ATOM 418 OE2 GLU A 26 24.580 10.815 6.088 1.00 0.00 O ATOM 0 H GLU A 26 22.108 10.450 0.015 1.00 0.00 H new ATOM 0 HA GLU A 26 22.629 9.318 1.984 1.00 0.00 H new ATOM 0 HB2 GLU A 26 24.268 11.399 2.404 1.00 0.00 H new ATOM 0 HB3 GLU A 26 23.048 11.824 3.588 1.00 0.00 H new ATOM 0 HG2 GLU A 26 23.584 8.957 3.737 1.00 0.00 H new ATOM 0 HG3 GLU A 26 25.096 9.836 3.841 1.00 0.00 H new ATOM 425 N LEU A 27 20.179 11.372 2.284 1.00 0.00 N ATOM 426 CA LEU A 27 18.818 11.540 2.865 1.00 0.00 C ATOM 427 C LEU A 27 18.211 10.147 3.067 1.00 0.00 C ATOM 428 O LEU A 27 18.787 9.163 2.661 1.00 0.00 O ATOM 429 CB LEU A 27 17.954 12.342 1.879 1.00 0.00 C ATOM 430 CG LEU A 27 18.329 13.839 1.869 1.00 0.00 C ATOM 431 CD1 LEU A 27 17.048 14.672 1.927 1.00 0.00 C ATOM 432 CD2 LEU A 27 19.221 14.217 3.056 1.00 0.00 C ATOM 0 H LEU A 27 20.383 11.970 1.483 1.00 0.00 H new ATOM 0 HA LEU A 27 18.865 12.069 3.817 1.00 0.00 H new ATOM 0 HB2 LEU A 27 18.072 11.932 0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 27 16.903 12.233 2.146 1.00 0.00 H new ATOM 0 HG LEU A 27 18.886 14.039 0.954 1.00 0.00 H new ATOM 0 HD11 LEU A 27 17.303 15.732 1.920 1.00 0.00 H new ATOM 0 HD12 LEU A 27 16.426 14.443 1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 27 16.501 14.436 2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 27 19.460 15.279 3.008 1.00 0.00 H new ATOM 0 HD22 LEU A 27 18.696 14.005 3.988 1.00 0.00 H new ATOM 0 HD23 LEU A 27 20.143 13.636 3.018 1.00 0.00 H new ATOM 444 N THR A 28 17.062 10.031 3.681 1.00 0.00 N ATOM 445 CA THR A 28 16.474 8.674 3.863 1.00 0.00 C ATOM 446 C THR A 28 15.279 8.502 2.922 1.00 0.00 C ATOM 447 O THR A 28 14.385 9.325 2.883 1.00 0.00 O ATOM 448 CB THR A 28 16.024 8.495 5.311 1.00 0.00 C ATOM 449 OG1 THR A 28 15.691 9.760 5.865 1.00 0.00 O ATOM 450 CG2 THR A 28 17.160 7.861 6.113 1.00 0.00 C ATOM 0 H THR A 28 16.514 10.804 4.058 1.00 0.00 H new ATOM 0 HA THR A 28 17.227 7.921 3.629 1.00 0.00 H new ATOM 0 HB THR A 28 15.147 7.848 5.348 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.401 9.644 6.794 1.00 0.00 H new ATOM 0 HG21 THR A 28 16.846 7.730 7.148 1.00 0.00 H new ATOM 0 HG22 THR A 28 17.410 6.891 5.684 1.00 0.00 H new ATOM 0 HG23 THR A 28 18.035 8.509 6.079 1.00 0.00 H new ATOM 458 N VAL A 29 15.256 7.438 2.160 1.00 0.00 N ATOM 459 CA VAL A 29 14.116 7.217 1.220 1.00 0.00 C ATOM 460 C VAL A 29 13.802 5.721 1.144 1.00 0.00 C ATOM 461 O VAL A 29 14.634 4.887 1.444 1.00 0.00 O ATOM 462 CB VAL A 29 14.474 7.743 -0.184 1.00 0.00 C ATOM 463 CG1 VAL A 29 13.971 9.181 -0.365 1.00 0.00 C ATOM 464 CG2 VAL A 29 15.985 7.729 -0.387 1.00 0.00 C ATOM 0 H VAL A 29 15.975 6.715 2.148 1.00 0.00 H new ATOM 0 HA VAL A 29 13.243 7.757 1.586 1.00 0.00 H new ATOM 0 HB VAL A 29 13.996 7.092 -0.916 1.00 0.00 H new ATOM 0 HG11 VAL A 29 14.233 9.535 -1.362 1.00 0.00 H new ATOM 0 HG12 VAL A 29 12.888 9.206 -0.244 1.00 0.00 H new ATOM 0 HG13 VAL A 29 14.434 9.825 0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.222 8.103 -1.383 1.00 0.00 H new ATOM 0 HG22 VAL A 29 16.459 8.364 0.361 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.356 6.709 -0.285 1.00 0.00 H new ATOM 474 N THR A 30 12.605 5.378 0.752 1.00 0.00 N ATOM 475 CA THR A 30 12.232 3.937 0.663 1.00 0.00 C ATOM 476 C THR A 30 13.371 3.149 0.021 1.00 0.00 C ATOM 477 O THR A 30 13.974 3.583 -0.942 1.00 0.00 O ATOM 478 CB THR A 30 10.969 3.779 -0.184 1.00 0.00 C ATOM 479 OG1 THR A 30 10.286 5.023 -0.258 1.00 0.00 O ATOM 480 CG2 THR A 30 10.059 2.727 0.451 1.00 0.00 C ATOM 0 H THR A 30 11.869 6.033 0.489 1.00 0.00 H new ATOM 0 HA THR A 30 12.045 3.556 1.667 1.00 0.00 H new ATOM 0 HB THR A 30 11.243 3.460 -1.190 1.00 0.00 H new ATOM 0 HG1 THR A 30 9.352 4.869 -0.512 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.158 2.613 -0.152 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.585 1.774 0.501 1.00 0.00 H new ATOM 0 HG23 THR A 30 9.784 3.043 1.457 1.00 0.00 H new ATOM 488 N ASP A 31 13.671 1.993 0.544 1.00 0.00 N ATOM 489 CA ASP A 31 14.771 1.177 -0.039 1.00 0.00 C ATOM 490 C ASP A 31 14.203 0.203 -1.074 1.00 0.00 C ATOM 491 O ASP A 31 13.048 -0.172 -1.026 1.00 0.00 O ATOM 492 CB ASP A 31 15.463 0.387 1.075 1.00 0.00 C ATOM 493 CG ASP A 31 16.698 -0.316 0.509 1.00 0.00 C ATOM 494 OD1 ASP A 31 17.315 0.241 -0.385 1.00 0.00 O ATOM 495 OD2 ASP A 31 17.006 -1.399 0.979 1.00 0.00 O ATOM 0 H ASP A 31 13.202 1.579 1.349 1.00 0.00 H new ATOM 0 HA ASP A 31 15.490 1.837 -0.523 1.00 0.00 H new ATOM 0 HB2 ASP A 31 15.752 1.057 1.885 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.775 -0.346 1.497 1.00 0.00 H new ATOM 500 N ILE A 32 15.015 -0.215 -2.004 1.00 0.00 N ATOM 501 CA ILE A 32 14.544 -1.178 -3.046 1.00 0.00 C ATOM 502 C ILE A 32 15.701 -2.051 -3.525 1.00 0.00 C ATOM 503 O ILE A 32 15.929 -3.123 -3.009 1.00 0.00 O ATOM 504 CB ILE A 32 13.933 -0.429 -4.234 1.00 0.00 C ATOM 505 CG1 ILE A 32 14.572 0.951 -4.390 1.00 0.00 C ATOM 506 CG2 ILE A 32 12.435 -0.253 -3.996 1.00 0.00 C ATOM 507 CD1 ILE A 32 14.272 1.473 -5.798 1.00 0.00 C ATOM 0 H ILE A 32 15.991 0.069 -2.090 1.00 0.00 H new ATOM 0 HA ILE A 32 13.779 -1.815 -2.601 1.00 0.00 H new ATOM 0 HB ILE A 32 14.112 -1.007 -5.141 1.00 0.00 H new ATOM 0 HG12 ILE A 32 14.178 1.637 -3.640 1.00 0.00 H new ATOM 0 HG13 ILE A 32 15.649 0.889 -4.231 1.00 0.00 H new ATOM 0 HG21 ILE A 32 11.993 0.280 -4.838 1.00 0.00 H new ATOM 0 HG22 ILE A 32 11.965 -1.231 -3.898 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.277 0.319 -3.082 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.722 2.458 -5.924 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.687 0.787 -6.536 1.00 0.00 H new ATOM 0 HD13 ILE A 32 13.193 1.546 -5.937 1.00 0.00 H new ATOM 519 N PHE A 33 16.411 -1.600 -4.515 1.00 0.00 N ATOM 520 CA PHE A 33 17.560 -2.374 -5.066 1.00 0.00 C ATOM 521 C PHE A 33 18.279 -3.150 -3.955 1.00 0.00 C ATOM 522 O PHE A 33 18.845 -4.199 -4.184 1.00 0.00 O ATOM 523 CB PHE A 33 18.564 -1.401 -5.680 1.00 0.00 C ATOM 524 CG PHE A 33 17.879 -0.444 -6.625 1.00 0.00 C ATOM 525 CD1 PHE A 33 17.711 -0.783 -7.971 1.00 0.00 C ATOM 526 CD2 PHE A 33 17.438 0.798 -6.156 1.00 0.00 C ATOM 527 CE1 PHE A 33 17.096 0.117 -8.848 1.00 0.00 C ATOM 528 CE2 PHE A 33 16.824 1.700 -7.033 1.00 0.00 C ATOM 529 CZ PHE A 33 16.653 1.361 -8.377 1.00 0.00 C ATOM 0 H PHE A 33 16.242 -0.707 -4.978 1.00 0.00 H new ATOM 0 HA PHE A 33 17.178 -3.073 -5.810 1.00 0.00 H new ATOM 0 HB2 PHE A 33 19.064 -0.842 -4.889 1.00 0.00 H new ATOM 0 HB3 PHE A 33 19.335 -1.957 -6.214 1.00 0.00 H new ATOM 0 HD1 PHE A 33 18.056 -1.740 -8.334 1.00 0.00 H new ATOM 0 HD2 PHE A 33 17.571 1.061 -5.117 1.00 0.00 H new ATOM 0 HE1 PHE A 33 16.963 -0.146 -9.887 1.00 0.00 H new ATOM 0 HE2 PHE A 33 16.482 2.658 -6.670 1.00 0.00 H new ATOM 0 HZ PHE A 33 16.180 2.057 -9.053 1.00 0.00 H new ATOM 539 N ALA A 34 18.277 -2.629 -2.759 1.00 0.00 N ATOM 540 CA ALA A 34 18.978 -3.320 -1.638 1.00 0.00 C ATOM 541 C ALA A 34 17.970 -4.091 -0.791 1.00 0.00 C ATOM 542 O ALA A 34 18.023 -4.084 0.423 1.00 0.00 O ATOM 543 CB ALA A 34 19.692 -2.285 -0.766 1.00 0.00 C ATOM 0 H ALA A 34 17.819 -1.753 -2.508 1.00 0.00 H new ATOM 0 HA ALA A 34 19.708 -4.017 -2.049 1.00 0.00 H new ATOM 0 HB1 ALA A 34 20.204 -2.790 0.053 1.00 0.00 H new ATOM 0 HB2 ALA A 34 20.420 -1.741 -1.369 1.00 0.00 H new ATOM 0 HB3 ALA A 34 18.962 -1.585 -0.360 1.00 0.00 H new ATOM 549 N ALA A 35 17.056 -4.761 -1.425 1.00 0.00 N ATOM 550 CA ALA A 35 16.041 -5.544 -0.665 1.00 0.00 C ATOM 551 C ALA A 35 15.337 -6.517 -1.607 1.00 0.00 C ATOM 552 O ALA A 35 14.156 -6.400 -1.866 1.00 0.00 O ATOM 553 CB ALA A 35 15.013 -4.593 -0.050 1.00 0.00 C ATOM 0 H ALA A 35 16.965 -4.803 -2.440 1.00 0.00 H new ATOM 0 HA ALA A 35 16.536 -6.102 0.129 1.00 0.00 H new ATOM 0 HB1 ALA A 35 14.272 -5.168 0.505 1.00 0.00 H new ATOM 0 HB2 ALA A 35 15.516 -3.901 0.626 1.00 0.00 H new ATOM 0 HB3 ALA A 35 14.518 -4.031 -0.842 1.00 0.00 H new ATOM 559 N SER A 36 16.059 -7.480 -2.114 1.00 0.00 N ATOM 560 CA SER A 36 15.449 -8.476 -3.044 1.00 0.00 C ATOM 561 C SER A 36 14.461 -7.774 -3.972 1.00 0.00 C ATOM 562 O SER A 36 13.393 -8.277 -4.258 1.00 0.00 O ATOM 563 CB SER A 36 14.721 -9.551 -2.235 1.00 0.00 C ATOM 564 OG SER A 36 15.648 -10.225 -1.398 1.00 0.00 O ATOM 0 H SER A 36 17.051 -7.621 -1.923 1.00 0.00 H new ATOM 0 HA SER A 36 16.233 -8.942 -3.641 1.00 0.00 H new ATOM 0 HB2 SER A 36 13.935 -9.097 -1.632 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.238 -10.261 -2.906 1.00 0.00 H new ATOM 0 HG SER A 36 15.180 -10.912 -0.879 1.00 0.00 H new ATOM 570 N LYS A 37 14.808 -6.609 -4.438 1.00 0.00 N ATOM 571 CA LYS A 37 13.894 -5.861 -5.340 1.00 0.00 C ATOM 572 C LYS A 37 14.595 -5.588 -6.672 1.00 0.00 C ATOM 573 O LYS A 37 14.569 -4.484 -7.180 1.00 0.00 O ATOM 574 CB LYS A 37 13.521 -4.536 -4.680 1.00 0.00 C ATOM 575 CG LYS A 37 12.140 -4.091 -5.169 1.00 0.00 C ATOM 576 CD LYS A 37 11.059 -4.895 -4.446 1.00 0.00 C ATOM 577 CE LYS A 37 10.322 -5.781 -5.451 1.00 0.00 C ATOM 578 NZ LYS A 37 9.060 -6.286 -4.838 1.00 0.00 N ATOM 0 H LYS A 37 15.690 -6.141 -4.231 1.00 0.00 H new ATOM 0 HA LYS A 37 12.995 -6.450 -5.523 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.516 -4.647 -3.596 1.00 0.00 H new ATOM 0 HB3 LYS A 37 14.265 -3.776 -4.919 1.00 0.00 H new ATOM 0 HG2 LYS A 37 12.002 -3.026 -4.982 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.059 -4.239 -6.246 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.509 -5.509 -3.666 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.356 -4.221 -3.956 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.098 -5.215 -6.355 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.955 -6.618 -5.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.358 -6.463 -5.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.252 -7.171 -4.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.688 -5.576 -4.175 1.00 0.00 H new ATOM 592 N ASN A 38 15.216 -6.581 -7.245 1.00 0.00 N ATOM 593 CA ASN A 38 15.910 -6.368 -8.543 1.00 0.00 C ATOM 594 C ASN A 38 14.997 -6.834 -9.676 1.00 0.00 C ATOM 595 O ASN A 38 14.318 -6.042 -10.299 1.00 0.00 O ATOM 596 CB ASN A 38 17.210 -7.175 -8.569 1.00 0.00 C ATOM 597 CG ASN A 38 17.836 -7.088 -9.961 1.00 0.00 C ATOM 598 OD1 ASN A 38 17.305 -6.436 -10.839 1.00 0.00 O ATOM 599 ND2 ASN A 38 18.950 -7.723 -10.204 1.00 0.00 N ATOM 0 H ASN A 38 15.272 -7.528 -6.871 1.00 0.00 H new ATOM 0 HA ASN A 38 16.143 -5.310 -8.667 1.00 0.00 H new ATOM 0 HB2 ASN A 38 17.904 -6.791 -7.822 1.00 0.00 H new ATOM 0 HB3 ASN A 38 17.010 -8.215 -8.313 1.00 0.00 H new ATOM 0 HD21 ASN A 38 19.375 -7.672 -11.130 1.00 0.00 H new ATOM 0 HD22 ASN A 38 19.396 -8.270 -9.468 1.00 0.00 H new ATOM 606 N THR A 39 14.971 -8.114 -9.938 1.00 0.00 N ATOM 607 CA THR A 39 14.098 -8.643 -11.025 1.00 0.00 C ATOM 608 C THR A 39 14.161 -7.700 -12.234 1.00 0.00 C ATOM 609 O THR A 39 15.045 -6.873 -12.336 1.00 0.00 O ATOM 610 CB THR A 39 12.658 -8.745 -10.508 1.00 0.00 C ATOM 611 OG1 THR A 39 11.889 -9.544 -11.394 1.00 0.00 O ATOM 612 CG2 THR A 39 12.041 -7.349 -10.404 1.00 0.00 C ATOM 0 H THR A 39 15.519 -8.818 -9.444 1.00 0.00 H new ATOM 0 HA THR A 39 14.440 -9.632 -11.330 1.00 0.00 H new ATOM 0 HB THR A 39 12.665 -9.205 -9.520 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.970 -9.609 -11.061 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.018 -7.430 -10.036 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.628 -6.742 -9.714 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.037 -6.879 -11.387 1.00 0.00 H new ATOM 620 N THR A 40 13.238 -7.816 -13.151 1.00 0.00 N ATOM 621 CA THR A 40 13.258 -6.922 -14.343 1.00 0.00 C ATOM 622 C THR A 40 13.557 -5.487 -13.900 1.00 0.00 C ATOM 623 O THR A 40 13.114 -5.044 -12.860 1.00 0.00 O ATOM 624 CB THR A 40 11.897 -6.966 -15.043 1.00 0.00 C ATOM 625 OG1 THR A 40 11.000 -7.766 -14.284 1.00 0.00 O ATOM 626 CG2 THR A 40 12.060 -7.565 -16.440 1.00 0.00 C ATOM 0 H THR A 40 12.473 -8.490 -13.126 1.00 0.00 H new ATOM 0 HA THR A 40 14.031 -7.259 -15.034 1.00 0.00 H new ATOM 0 HB THR A 40 11.499 -5.955 -15.127 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.350 -8.188 -14.884 1.00 0.00 H new ATOM 0 HG21 THR A 40 11.091 -7.596 -16.938 1.00 0.00 H new ATOM 0 HG22 THR A 40 12.747 -6.950 -17.022 1.00 0.00 H new ATOM 0 HG23 THR A 40 12.458 -8.576 -16.358 1.00 0.00 H new ATOM 634 N GLU A 41 14.308 -4.759 -14.682 1.00 0.00 N ATOM 635 CA GLU A 41 14.634 -3.356 -14.303 1.00 0.00 C ATOM 636 C GLU A 41 13.339 -2.562 -14.134 1.00 0.00 C ATOM 637 O GLU A 41 13.204 -1.756 -13.234 1.00 0.00 O ATOM 638 CB GLU A 41 15.486 -2.714 -15.401 1.00 0.00 C ATOM 639 CG GLU A 41 16.626 -3.659 -15.783 1.00 0.00 C ATOM 640 CD GLU A 41 17.328 -4.153 -14.517 1.00 0.00 C ATOM 641 OE1 GLU A 41 17.551 -3.341 -13.635 1.00 0.00 O ATOM 642 OE2 GLU A 41 17.630 -5.333 -14.452 1.00 0.00 O ATOM 0 H GLU A 41 14.709 -5.075 -15.565 1.00 0.00 H new ATOM 0 HA GLU A 41 15.189 -3.353 -13.365 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.870 -2.499 -16.274 1.00 0.00 H new ATOM 0 HB3 GLU A 41 15.889 -1.763 -15.053 1.00 0.00 H new ATOM 0 HG2 GLU A 41 16.236 -4.505 -16.349 1.00 0.00 H new ATOM 0 HG3 GLU A 41 17.338 -3.144 -16.429 1.00 0.00 H new ATOM 649 N LYS A 42 12.383 -2.783 -14.995 1.00 0.00 N ATOM 650 CA LYS A 42 11.096 -2.042 -14.884 1.00 0.00 C ATOM 651 C LYS A 42 10.514 -2.231 -13.480 1.00 0.00 C ATOM 652 O LYS A 42 9.828 -1.371 -12.962 1.00 0.00 O ATOM 653 CB LYS A 42 10.109 -2.579 -15.923 1.00 0.00 C ATOM 654 CG LYS A 42 9.934 -4.086 -15.729 1.00 0.00 C ATOM 655 CD LYS A 42 8.579 -4.521 -16.292 1.00 0.00 C ATOM 656 CE LYS A 42 8.258 -5.939 -15.816 1.00 0.00 C ATOM 657 NZ LYS A 42 7.718 -5.886 -14.428 1.00 0.00 N ATOM 0 H LYS A 42 12.438 -3.444 -15.770 1.00 0.00 H new ATOM 0 HA LYS A 42 11.271 -0.981 -15.062 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.148 -2.075 -15.822 1.00 0.00 H new ATOM 0 HB3 LYS A 42 10.474 -2.371 -16.929 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.738 -4.624 -16.232 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.997 -4.336 -14.670 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.800 -3.832 -15.966 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.599 -4.488 -17.381 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.531 -6.402 -16.483 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.156 -6.556 -15.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.010 -6.739 -13.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.087 -5.043 -13.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.680 -5.839 -14.461 1.00 0.00 H new ATOM 671 N GLU A 43 10.778 -3.351 -12.861 1.00 0.00 N ATOM 672 CA GLU A 43 10.234 -3.595 -11.492 1.00 0.00 C ATOM 673 C GLU A 43 10.855 -2.608 -10.503 1.00 0.00 C ATOM 674 O GLU A 43 10.164 -1.999 -9.712 1.00 0.00 O ATOM 675 CB GLU A 43 10.568 -5.022 -11.059 1.00 0.00 C ATOM 676 CG GLU A 43 9.777 -5.370 -9.796 1.00 0.00 C ATOM 677 CD GLU A 43 8.728 -6.434 -10.127 1.00 0.00 C ATOM 678 OE1 GLU A 43 8.235 -6.425 -11.242 1.00 0.00 O ATOM 679 OE2 GLU A 43 8.437 -7.241 -9.259 1.00 0.00 O ATOM 0 H GLU A 43 11.346 -4.107 -13.243 1.00 0.00 H new ATOM 0 HA GLU A 43 9.153 -3.458 -11.507 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.325 -5.722 -11.858 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.637 -5.115 -10.869 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.451 -5.737 -9.022 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.293 -4.477 -9.400 1.00 0.00 H new ATOM 686 N THR A 44 12.149 -2.431 -10.538 1.00 0.00 N ATOM 687 CA THR A 44 12.768 -1.458 -9.589 1.00 0.00 C ATOM 688 C THR A 44 12.165 -0.094 -9.861 1.00 0.00 C ATOM 689 O THR A 44 12.069 0.735 -8.995 1.00 0.00 O ATOM 690 CB THR A 44 14.304 -1.403 -9.729 1.00 0.00 C ATOM 691 OG1 THR A 44 14.853 -1.003 -8.483 1.00 0.00 O ATOM 692 CG2 THR A 44 14.716 -0.394 -10.808 1.00 0.00 C ATOM 0 H THR A 44 12.794 -2.907 -11.169 1.00 0.00 H new ATOM 0 HA THR A 44 12.562 -1.778 -8.568 1.00 0.00 H new ATOM 0 HB THR A 44 14.674 -2.387 -10.018 1.00 0.00 H new ATOM 0 HG1 THR A 44 15.831 -1.002 -8.542 1.00 0.00 H new ATOM 0 HG21 THR A 44 15.803 -0.372 -10.889 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.286 -0.689 -11.765 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.352 0.597 -10.537 1.00 0.00 H new ATOM 700 N PHE A 45 11.763 0.138 -11.066 1.00 0.00 N ATOM 701 CA PHE A 45 11.156 1.453 -11.400 1.00 0.00 C ATOM 702 C PHE A 45 9.780 1.552 -10.745 1.00 0.00 C ATOM 703 O PHE A 45 9.325 2.623 -10.395 1.00 0.00 O ATOM 704 CB PHE A 45 11.020 1.591 -12.914 1.00 0.00 C ATOM 705 CG PHE A 45 12.415 1.726 -13.540 1.00 0.00 C ATOM 706 CD1 PHE A 45 13.567 1.706 -12.726 1.00 0.00 C ATOM 707 CD2 PHE A 45 12.568 1.859 -14.935 1.00 0.00 C ATOM 708 CE1 PHE A 45 14.838 1.816 -13.295 1.00 0.00 C ATOM 709 CE2 PHE A 45 13.848 1.971 -15.495 1.00 0.00 C ATOM 710 CZ PHE A 45 14.979 1.948 -14.675 1.00 0.00 C ATOM 0 H PHE A 45 11.826 -0.523 -11.840 1.00 0.00 H new ATOM 0 HA PHE A 45 11.795 2.254 -11.028 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.507 0.721 -13.325 1.00 0.00 H new ATOM 0 HB3 PHE A 45 10.414 2.463 -13.158 1.00 0.00 H new ATOM 0 HD1 PHE A 45 13.466 1.605 -11.656 1.00 0.00 H new ATOM 0 HD2 PHE A 45 11.697 1.875 -15.574 1.00 0.00 H new ATOM 0 HE1 PHE A 45 15.714 1.799 -12.663 1.00 0.00 H new ATOM 0 HE2 PHE A 45 13.960 2.075 -16.564 1.00 0.00 H new ATOM 0 HZ PHE A 45 15.963 2.033 -15.111 1.00 0.00 H new ATOM 720 N CYS A 46 9.106 0.444 -10.580 1.00 0.00 N ATOM 721 CA CYS A 46 7.760 0.487 -9.951 1.00 0.00 C ATOM 722 C CYS A 46 7.884 0.945 -8.498 1.00 0.00 C ATOM 723 O CYS A 46 7.245 1.889 -8.077 1.00 0.00 O ATOM 724 CB CYS A 46 7.149 -0.905 -9.983 1.00 0.00 C ATOM 725 SG CYS A 46 5.359 -0.758 -10.168 1.00 0.00 S ATOM 0 H CYS A 46 9.431 -0.484 -10.853 1.00 0.00 H new ATOM 0 HA CYS A 46 7.127 1.185 -10.499 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.567 -1.480 -10.809 1.00 0.00 H new ATOM 0 HB3 CYS A 46 7.390 -1.443 -9.066 1.00 0.00 H new ATOM 730 N ARG A 47 8.727 0.307 -7.735 1.00 0.00 N ATOM 731 CA ARG A 47 8.916 0.733 -6.321 1.00 0.00 C ATOM 732 C ARG A 47 9.669 2.050 -6.317 1.00 0.00 C ATOM 733 O ARG A 47 9.300 3.017 -5.685 1.00 0.00 O ATOM 734 CB ARG A 47 9.785 -0.296 -5.613 1.00 0.00 C ATOM 735 CG ARG A 47 9.340 -0.445 -4.157 1.00 0.00 C ATOM 736 CD ARG A 47 7.949 -1.078 -4.108 1.00 0.00 C ATOM 737 NE ARG A 47 8.079 -2.562 -4.079 1.00 0.00 N ATOM 738 CZ ARG A 47 7.630 -3.276 -5.075 1.00 0.00 C ATOM 739 NH1 ARG A 47 6.388 -3.676 -5.082 1.00 0.00 N ATOM 740 NH2 ARG A 47 8.424 -3.590 -6.063 1.00 0.00 N ATOM 0 H ARG A 47 9.292 -0.490 -8.029 1.00 0.00 H new ATOM 0 HA ARG A 47 7.950 0.830 -5.826 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.714 -1.257 -6.123 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.830 0.010 -5.653 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.052 -1.064 -3.610 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.324 0.530 -3.669 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.411 -0.732 -3.225 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.367 -0.770 -4.977 1.00 0.00 H new ATOM 0 HE ARG A 47 8.519 -3.020 -3.281 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.769 -3.431 -4.309 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.036 -4.234 -5.860 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.395 -3.277 -6.056 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.073 -4.148 -6.842 1.00 0.00 H new ATOM 754 N ALA A 48 10.753 2.041 -7.019 1.00 0.00 N ATOM 755 CA ALA A 48 11.647 3.245 -7.102 1.00 0.00 C ATOM 756 C ALA A 48 10.843 4.498 -7.428 1.00 0.00 C ATOM 757 O ALA A 48 11.170 5.591 -7.011 1.00 0.00 O ATOM 758 CB ALA A 48 12.728 3.048 -8.177 1.00 0.00 C ATOM 0 H ALA A 48 11.077 1.237 -7.557 1.00 0.00 H new ATOM 0 HA ALA A 48 12.123 3.367 -6.129 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.364 3.932 -8.220 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.334 2.177 -7.928 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.254 2.895 -9.146 1.00 0.00 H new ATOM 764 N ALA A 49 9.799 4.351 -8.155 1.00 0.00 N ATOM 765 CA ALA A 49 8.962 5.534 -8.498 1.00 0.00 C ATOM 766 C ALA A 49 8.214 6.000 -7.249 1.00 0.00 C ATOM 767 O ALA A 49 8.132 7.177 -6.962 1.00 0.00 O ATOM 768 CB ALA A 49 7.962 5.165 -9.595 1.00 0.00 C ATOM 0 H ALA A 49 9.474 3.463 -8.537 1.00 0.00 H new ATOM 0 HA ALA A 49 9.602 6.338 -8.861 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.353 6.035 -9.840 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.501 4.837 -10.484 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.318 4.359 -9.244 1.00 0.00 H new ATOM 774 N THR A 50 7.667 5.081 -6.506 1.00 0.00 N ATOM 775 CA THR A 50 6.919 5.457 -5.276 1.00 0.00 C ATOM 776 C THR A 50 7.879 6.090 -4.265 1.00 0.00 C ATOM 777 O THR A 50 7.514 6.974 -3.518 1.00 0.00 O ATOM 778 CB THR A 50 6.297 4.202 -4.661 1.00 0.00 C ATOM 779 OG1 THR A 50 6.214 3.186 -5.650 1.00 0.00 O ATOM 780 CG2 THR A 50 4.894 4.525 -4.141 1.00 0.00 C ATOM 0 H THR A 50 7.706 4.080 -6.699 1.00 0.00 H new ATOM 0 HA THR A 50 6.136 6.171 -5.531 1.00 0.00 H new ATOM 0 HB THR A 50 6.917 3.857 -3.833 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.969 2.337 -5.227 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.453 3.629 -3.703 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.958 5.306 -3.383 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.271 4.870 -4.966 1.00 0.00 H new ATOM 788 N VAL A 51 9.100 5.633 -4.226 1.00 0.00 N ATOM 789 CA VAL A 51 10.079 6.198 -3.252 1.00 0.00 C ATOM 790 C VAL A 51 10.414 7.644 -3.624 1.00 0.00 C ATOM 791 O VAL A 51 10.322 8.520 -2.792 1.00 0.00 O ATOM 792 CB VAL A 51 11.346 5.327 -3.215 1.00 0.00 C ATOM 793 CG1 VAL A 51 11.830 5.035 -4.620 1.00 0.00 C ATOM 794 CG2 VAL A 51 12.467 6.029 -2.455 1.00 0.00 C ATOM 0 H VAL A 51 9.463 4.893 -4.826 1.00 0.00 H new ATOM 0 HA VAL A 51 9.637 6.198 -2.256 1.00 0.00 H new ATOM 0 HB VAL A 51 11.089 4.397 -2.709 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.727 4.418 -4.575 1.00 0.00 H new ATOM 0 HG12 VAL A 51 11.052 4.505 -5.170 1.00 0.00 H new ATOM 0 HG13 VAL A 51 12.059 5.972 -5.128 1.00 0.00 H new ATOM 0 HG21 VAL A 51 13.352 5.393 -2.443 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.705 6.972 -2.947 1.00 0.00 H new ATOM 0 HG23 VAL A 51 12.146 6.224 -1.432 1.00 0.00 H new ATOM 804 N LEU A 52 10.767 7.932 -4.850 1.00 0.00 N ATOM 805 CA LEU A 52 11.044 9.360 -5.175 1.00 0.00 C ATOM 806 C LEU A 52 9.782 10.149 -4.850 1.00 0.00 C ATOM 807 O LEU A 52 9.830 11.223 -4.288 1.00 0.00 O ATOM 808 CB LEU A 52 11.359 9.532 -6.662 1.00 0.00 C ATOM 809 CG LEU A 52 12.598 8.722 -7.035 1.00 0.00 C ATOM 810 CD1 LEU A 52 12.416 8.150 -8.443 1.00 0.00 C ATOM 811 CD2 LEU A 52 13.824 9.637 -7.004 1.00 0.00 C ATOM 0 H LEU A 52 10.873 7.266 -5.615 1.00 0.00 H new ATOM 0 HA LEU A 52 11.903 9.708 -4.601 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.509 9.207 -7.261 1.00 0.00 H new ATOM 0 HB3 LEU A 52 11.523 10.586 -6.887 1.00 0.00 H new ATOM 0 HG LEU A 52 12.738 7.906 -6.326 1.00 0.00 H new ATOM 0 HD11 LEU A 52 13.297 7.570 -8.717 1.00 0.00 H new ATOM 0 HD12 LEU A 52 11.537 7.506 -8.463 1.00 0.00 H new ATOM 0 HD13 LEU A 52 12.284 8.966 -9.153 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.712 9.064 -7.270 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.690 10.450 -7.718 1.00 0.00 H new ATOM 0 HD23 LEU A 52 13.945 10.050 -6.002 1.00 0.00 H new ATOM 823 N ARG A 53 8.646 9.604 -5.194 1.00 0.00 N ATOM 824 CA ARG A 53 7.366 10.298 -4.901 1.00 0.00 C ATOM 825 C ARG A 53 7.358 10.714 -3.435 1.00 0.00 C ATOM 826 O ARG A 53 7.037 11.835 -3.097 1.00 0.00 O ATOM 827 CB ARG A 53 6.196 9.348 -5.168 1.00 0.00 C ATOM 828 CG ARG A 53 4.883 10.040 -4.794 1.00 0.00 C ATOM 829 CD ARG A 53 4.282 9.363 -3.561 1.00 0.00 C ATOM 830 NE ARG A 53 4.036 7.924 -3.852 1.00 0.00 N ATOM 831 CZ ARG A 53 3.275 7.219 -3.059 1.00 0.00 C ATOM 832 NH1 ARG A 53 3.433 7.294 -1.766 1.00 0.00 N ATOM 833 NH2 ARG A 53 2.354 6.440 -3.558 1.00 0.00 N ATOM 0 H ARG A 53 8.553 8.705 -5.667 1.00 0.00 H new ATOM 0 HA ARG A 53 7.267 11.177 -5.538 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.181 9.059 -6.219 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.316 8.433 -4.587 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.061 11.096 -4.591 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.183 9.989 -5.628 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.959 9.462 -2.713 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.349 9.853 -3.283 1.00 0.00 H new ATOM 0 HE ARG A 53 4.462 7.489 -4.670 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.151 7.903 -1.374 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.838 6.743 -1.147 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.228 6.381 -4.569 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.760 5.890 -2.937 1.00 0.00 H new ATOM 847 N GLN A 54 7.700 9.812 -2.559 1.00 0.00 N ATOM 848 CA GLN A 54 7.705 10.149 -1.112 1.00 0.00 C ATOM 849 C GLN A 54 8.832 11.123 -0.778 1.00 0.00 C ATOM 850 O GLN A 54 8.757 11.871 0.176 1.00 0.00 O ATOM 851 CB GLN A 54 7.866 8.871 -0.287 1.00 0.00 C ATOM 852 CG GLN A 54 6.681 7.940 -0.555 1.00 0.00 C ATOM 853 CD GLN A 54 6.195 7.339 0.766 1.00 0.00 C ATOM 854 OE1 GLN A 54 6.445 7.881 1.822 1.00 0.00 O ATOM 855 NE2 GLN A 54 5.504 6.230 0.748 1.00 0.00 N ATOM 0 H GLN A 54 7.976 8.856 -2.784 1.00 0.00 H new ATOM 0 HA GLN A 54 6.757 10.628 -0.868 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.800 8.373 -0.547 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.919 9.114 0.774 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.873 8.492 -1.035 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.976 7.146 -1.241 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.294 5.774 -0.140 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.175 5.820 1.622 1.00 0.00 H new ATOM 864 N PHE A 55 9.888 11.089 -1.520 1.00 0.00 N ATOM 865 CA PHE A 55 11.040 11.987 -1.203 1.00 0.00 C ATOM 866 C PHE A 55 10.705 13.449 -1.511 1.00 0.00 C ATOM 867 O PHE A 55 10.778 14.299 -0.645 1.00 0.00 O ATOM 868 CB PHE A 55 12.229 11.566 -2.081 1.00 0.00 C ATOM 869 CG PHE A 55 13.489 12.216 -1.574 1.00 0.00 C ATOM 870 CD1 PHE A 55 13.871 12.046 -0.242 1.00 0.00 C ATOM 871 CD2 PHE A 55 14.270 12.994 -2.436 1.00 0.00 C ATOM 872 CE1 PHE A 55 15.037 12.654 0.234 1.00 0.00 C ATOM 873 CE2 PHE A 55 15.438 13.603 -1.961 1.00 0.00 C ATOM 874 CZ PHE A 55 15.822 13.434 -0.625 1.00 0.00 C ATOM 0 H PHE A 55 10.014 10.485 -2.332 1.00 0.00 H new ATOM 0 HA PHE A 55 11.273 11.901 -0.142 1.00 0.00 H new ATOM 0 HB2 PHE A 55 12.337 10.481 -2.068 1.00 0.00 H new ATOM 0 HB3 PHE A 55 12.050 11.856 -3.116 1.00 0.00 H new ATOM 0 HD1 PHE A 55 13.266 11.445 0.421 1.00 0.00 H new ATOM 0 HD2 PHE A 55 13.972 13.125 -3.466 1.00 0.00 H new ATOM 0 HE1 PHE A 55 15.332 12.522 1.264 1.00 0.00 H new ATOM 0 HE2 PHE A 55 16.043 14.203 -2.625 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.722 13.904 -0.257 1.00 0.00 H new ATOM 884 N TYR A 56 10.322 13.760 -2.718 1.00 0.00 N ATOM 885 CA TYR A 56 9.970 15.175 -3.032 1.00 0.00 C ATOM 886 C TYR A 56 8.578 15.537 -2.460 1.00 0.00 C ATOM 887 O TYR A 56 8.409 16.594 -1.889 1.00 0.00 O ATOM 888 CB TYR A 56 10.054 15.460 -4.557 1.00 0.00 C ATOM 889 CG TYR A 56 9.099 14.604 -5.359 1.00 0.00 C ATOM 890 CD1 TYR A 56 7.777 15.021 -5.551 1.00 0.00 C ATOM 891 CD2 TYR A 56 9.544 13.403 -5.933 1.00 0.00 C ATOM 892 CE1 TYR A 56 6.898 14.239 -6.310 1.00 0.00 C ATOM 893 CE2 TYR A 56 8.665 12.624 -6.691 1.00 0.00 C ATOM 894 CZ TYR A 56 7.341 13.041 -6.879 1.00 0.00 C ATOM 895 OH TYR A 56 6.475 12.270 -7.628 1.00 0.00 O ATOM 0 H TYR A 56 10.238 13.104 -3.494 1.00 0.00 H new ATOM 0 HA TYR A 56 10.706 15.817 -2.547 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.835 16.512 -4.739 1.00 0.00 H new ATOM 0 HB3 TYR A 56 11.073 15.282 -4.901 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.434 15.947 -5.113 1.00 0.00 H new ATOM 0 HD2 TYR A 56 10.565 13.081 -5.789 1.00 0.00 H new ATOM 0 HE1 TYR A 56 5.878 14.561 -6.456 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.007 11.700 -7.132 1.00 0.00 H new ATOM 0 HH TYR A 56 5.813 12.849 -8.061 1.00 0.00 H new ATOM 905 N SER A 57 7.561 14.695 -2.634 1.00 0.00 N ATOM 906 CA SER A 57 6.199 15.048 -2.129 1.00 0.00 C ATOM 907 C SER A 57 6.101 14.990 -0.598 1.00 0.00 C ATOM 908 O SER A 57 5.483 15.837 0.015 1.00 0.00 O ATOM 909 CB SER A 57 5.183 14.073 -2.727 1.00 0.00 C ATOM 910 OG SER A 57 3.885 14.391 -2.247 1.00 0.00 O ATOM 0 H SER A 57 7.629 13.791 -3.101 1.00 0.00 H new ATOM 0 HA SER A 57 5.993 16.075 -2.432 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.204 14.130 -3.815 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.442 13.049 -2.457 1.00 0.00 H new ATOM 0 HG SER A 57 3.233 13.768 -2.630 1.00 0.00 H new ATOM 916 N HIS A 58 6.654 13.987 0.024 1.00 0.00 N ATOM 917 CA HIS A 58 6.521 13.880 1.506 1.00 0.00 C ATOM 918 C HIS A 58 7.339 14.964 2.203 1.00 0.00 C ATOM 919 O HIS A 58 6.844 15.678 3.052 1.00 0.00 O ATOM 920 CB HIS A 58 7.026 12.508 1.958 1.00 0.00 C ATOM 921 CG HIS A 58 6.402 12.156 3.280 1.00 0.00 C ATOM 922 ND1 HIS A 58 5.787 10.934 3.505 1.00 0.00 N ATOM 923 CD2 HIS A 58 6.292 12.853 4.457 1.00 0.00 C ATOM 924 CE1 HIS A 58 5.339 10.934 4.773 1.00 0.00 C ATOM 925 NE2 HIS A 58 5.620 12.080 5.399 1.00 0.00 N ATOM 0 H HIS A 58 7.188 13.242 -0.423 1.00 0.00 H new ATOM 0 HA HIS A 58 5.471 14.006 1.771 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.776 11.753 1.213 1.00 0.00 H new ATOM 0 HB3 HIS A 58 8.112 12.520 2.048 1.00 0.00 H new ATOM 0 HD2 HIS A 58 6.670 13.850 4.627 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.815 10.107 5.230 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.391 12.334 6.360 1.00 0.00 H new ATOM 933 N HIS A 59 8.583 15.090 1.860 1.00 0.00 N ATOM 934 CA HIS A 59 9.428 16.127 2.519 1.00 0.00 C ATOM 935 C HIS A 59 9.020 17.520 2.042 1.00 0.00 C ATOM 936 O HIS A 59 8.750 18.386 2.849 1.00 0.00 O ATOM 937 CB HIS A 59 10.897 15.872 2.184 1.00 0.00 C ATOM 938 CG HIS A 59 11.178 14.401 2.331 1.00 0.00 C ATOM 939 ND1 HIS A 59 10.308 13.547 2.991 1.00 0.00 N ATOM 940 CD2 HIS A 59 12.224 13.621 1.915 1.00 0.00 C ATOM 941 CE1 HIS A 59 10.844 12.314 2.952 1.00 0.00 C ATOM 942 NE2 HIS A 59 12.013 12.301 2.306 1.00 0.00 N ATOM 0 H HIS A 59 9.056 14.525 1.155 1.00 0.00 H new ATOM 0 HA HIS A 59 9.286 16.072 3.598 1.00 0.00 H new ATOM 0 HB2 HIS A 59 11.115 16.198 1.167 1.00 0.00 H new ATOM 0 HB3 HIS A 59 11.541 16.448 2.848 1.00 0.00 H new ATOM 0 HD2 HIS A 59 13.084 13.976 1.366 1.00 0.00 H new ATOM 0 HE1 HIS A 59 10.385 11.440 3.390 1.00 0.00 H new ATOM 0 HE2 HIS A 59 12.619 11.499 2.136 1.00 0.00 H new ATOM 950 N GLU A 60 8.953 17.724 0.739 1.00 0.00 N ATOM 951 CA GLU A 60 8.563 19.053 0.172 1.00 0.00 C ATOM 952 C GLU A 60 8.969 20.178 1.130 1.00 0.00 C ATOM 953 O GLU A 60 8.294 21.180 1.249 1.00 0.00 O ATOM 954 CB GLU A 60 7.061 19.044 -0.032 1.00 0.00 C ATOM 955 CG GLU A 60 6.759 18.495 -1.422 1.00 0.00 C ATOM 956 CD GLU A 60 5.520 19.186 -1.995 1.00 0.00 C ATOM 957 OE1 GLU A 60 5.680 20.221 -2.621 1.00 0.00 O ATOM 958 OE2 GLU A 60 4.432 18.669 -1.799 1.00 0.00 O ATOM 0 H GLU A 60 9.157 17.010 0.039 1.00 0.00 H new ATOM 0 HA GLU A 60 9.071 19.227 -0.777 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.580 18.430 0.729 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.660 20.052 0.071 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.613 18.656 -2.080 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.595 17.419 -1.370 1.00 0.00 H new ATOM 965 N LYS A 61 10.065 19.979 1.821 1.00 0.00 N ATOM 966 CA LYS A 61 10.570 20.959 2.829 1.00 0.00 C ATOM 967 C LYS A 61 11.277 20.130 3.914 1.00 0.00 C ATOM 968 O LYS A 61 12.228 19.427 3.631 1.00 0.00 O ATOM 969 CB LYS A 61 9.397 21.745 3.451 1.00 0.00 C ATOM 970 CG LYS A 61 8.293 20.772 3.892 1.00 0.00 C ATOM 971 CD LYS A 61 7.413 21.443 4.947 1.00 0.00 C ATOM 972 CE LYS A 61 5.943 21.321 4.538 1.00 0.00 C ATOM 973 NZ LYS A 61 5.236 22.598 4.838 1.00 0.00 N ATOM 0 H LYS A 61 10.649 19.148 1.723 1.00 0.00 H new ATOM 0 HA LYS A 61 11.244 21.683 2.371 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.748 22.323 4.306 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.999 22.456 2.727 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.689 20.477 3.034 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.736 19.862 4.298 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.571 20.975 5.919 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.687 22.493 5.050 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.868 21.093 3.475 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.472 20.497 5.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.237 22.515 4.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.297 22.797 5.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.680 23.374 4.307 1.00 0.00 H new ATOM 987 N ASP A 62 10.815 20.161 5.140 1.00 0.00 N ATOM 988 CA ASP A 62 11.458 19.327 6.192 1.00 0.00 C ATOM 989 C ASP A 62 12.969 19.564 6.200 1.00 0.00 C ATOM 990 O ASP A 62 13.749 18.646 6.359 1.00 0.00 O ATOM 991 CB ASP A 62 11.165 17.847 5.903 1.00 0.00 C ATOM 992 CG ASP A 62 11.470 17.013 7.150 1.00 0.00 C ATOM 993 OD1 ASP A 62 11.477 17.581 8.230 1.00 0.00 O ATOM 994 OD2 ASP A 62 11.691 15.823 7.002 1.00 0.00 O ATOM 0 H ASP A 62 10.025 20.725 5.453 1.00 0.00 H new ATOM 0 HA ASP A 62 11.057 19.599 7.168 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.121 17.721 5.615 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.771 17.502 5.065 1.00 0.00 H new ATOM 999 N THR A 63 13.386 20.785 6.031 1.00 0.00 N ATOM 1000 CA THR A 63 14.846 21.077 6.034 1.00 0.00 C ATOM 1001 C THR A 63 15.523 20.227 4.962 1.00 0.00 C ATOM 1002 O THR A 63 16.491 19.540 5.217 1.00 0.00 O ATOM 1003 CB THR A 63 15.436 20.740 7.404 1.00 0.00 C ATOM 1004 OG1 THR A 63 14.502 21.089 8.418 1.00 0.00 O ATOM 1005 CG2 THR A 63 16.732 21.524 7.610 1.00 0.00 C ATOM 0 H THR A 63 12.781 21.594 5.891 1.00 0.00 H new ATOM 0 HA THR A 63 15.010 22.134 5.826 1.00 0.00 H new ATOM 0 HB THR A 63 15.649 19.672 7.456 1.00 0.00 H new ATOM 0 HG1 THR A 63 14.877 20.872 9.297 1.00 0.00 H new ATOM 0 HG21 THR A 63 17.152 21.283 8.587 1.00 0.00 H new ATOM 0 HG22 THR A 63 17.447 21.256 6.832 1.00 0.00 H new ATOM 0 HG23 THR A 63 16.523 22.593 7.558 1.00 0.00 H new ATOM 1013 N ARG A 64 15.011 20.266 3.765 1.00 0.00 N ATOM 1014 CA ARG A 64 15.611 19.462 2.663 1.00 0.00 C ATOM 1015 C ARG A 64 16.892 20.142 2.176 1.00 0.00 C ATOM 1016 O ARG A 64 16.909 20.799 1.154 1.00 0.00 O ATOM 1017 CB ARG A 64 14.614 19.361 1.506 1.00 0.00 C ATOM 1018 CG ARG A 64 14.321 17.888 1.214 1.00 0.00 C ATOM 1019 CD ARG A 64 15.529 17.256 0.521 1.00 0.00 C ATOM 1020 NE ARG A 64 15.829 18.005 -0.731 1.00 0.00 N ATOM 1021 CZ ARG A 64 16.767 17.584 -1.534 1.00 0.00 C ATOM 1022 NH1 ARG A 64 17.116 16.327 -1.526 1.00 0.00 N ATOM 1023 NH2 ARG A 64 17.353 18.418 -2.348 1.00 0.00 N ATOM 0 H ARG A 64 14.198 20.823 3.500 1.00 0.00 H new ATOM 0 HA ARG A 64 15.847 18.462 3.028 1.00 0.00 H new ATOM 0 HB2 ARG A 64 13.692 19.883 1.760 1.00 0.00 H new ATOM 0 HB3 ARG A 64 15.020 19.845 0.618 1.00 0.00 H new ATOM 0 HG2 ARG A 64 14.102 17.359 2.141 1.00 0.00 H new ATOM 0 HG3 ARG A 64 13.438 17.800 0.581 1.00 0.00 H new ATOM 0 HD2 ARG A 64 16.393 17.274 1.185 1.00 0.00 H new ATOM 0 HD3 ARG A 64 15.325 16.210 0.292 1.00 0.00 H new ATOM 0 HE ARG A 64 15.301 18.847 -0.961 1.00 0.00 H new ATOM 0 HH11 ARG A 64 16.656 15.674 -0.892 1.00 0.00 H new ATOM 0 HH12 ARG A 64 17.849 15.997 -2.154 1.00 0.00 H new ATOM 0 HH21 ARG A 64 17.078 19.400 -2.357 1.00 0.00 H new ATOM 0 HH22 ARG A 64 18.086 18.088 -2.975 1.00 0.00 H new ATOM 1037 N CYS A 65 17.965 19.988 2.901 1.00 0.00 N ATOM 1038 CA CYS A 65 19.246 20.623 2.485 1.00 0.00 C ATOM 1039 C CYS A 65 19.120 22.144 2.591 1.00 0.00 C ATOM 1040 O CYS A 65 19.568 22.875 1.730 1.00 0.00 O ATOM 1041 CB CYS A 65 19.561 20.238 1.039 1.00 0.00 C ATOM 1042 SG CYS A 65 21.182 19.436 0.973 1.00 0.00 S ATOM 0 H CYS A 65 18.010 19.448 3.765 1.00 0.00 H new ATOM 0 HA CYS A 65 20.049 20.278 3.136 1.00 0.00 H new ATOM 0 HB2 CYS A 65 18.794 19.566 0.654 1.00 0.00 H new ATOM 0 HB3 CYS A 65 19.555 21.125 0.405 1.00 0.00 H new ATOM 1047 N LEU A 66 18.516 22.625 3.642 1.00 0.00 N ATOM 1048 CA LEU A 66 18.363 24.098 3.802 1.00 0.00 C ATOM 1049 C LEU A 66 19.512 24.638 4.658 1.00 0.00 C ATOM 1050 O LEU A 66 19.713 24.215 5.780 1.00 0.00 O ATOM 1051 CB LEU A 66 17.027 24.400 4.484 1.00 0.00 C ATOM 1052 CG LEU A 66 15.885 23.804 3.656 1.00 0.00 C ATOM 1053 CD1 LEU A 66 14.542 24.222 4.256 1.00 0.00 C ATOM 1054 CD2 LEU A 66 15.976 24.318 2.219 1.00 0.00 C ATOM 0 H LEU A 66 18.122 22.062 4.396 1.00 0.00 H new ATOM 0 HA LEU A 66 18.385 24.577 2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 66 17.018 23.982 5.490 1.00 0.00 H new ATOM 0 HB3 LEU A 66 16.893 25.477 4.585 1.00 0.00 H new ATOM 0 HG LEU A 66 15.964 22.717 3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 66 13.731 23.796 3.665 1.00 0.00 H new ATOM 0 HD12 LEU A 66 14.473 23.859 5.281 1.00 0.00 H new ATOM 0 HD13 LEU A 66 14.463 25.309 4.250 1.00 0.00 H new ATOM 0 HD21 LEU A 66 15.163 23.894 1.629 1.00 0.00 H new ATOM 0 HD22 LEU A 66 15.898 25.405 2.216 1.00 0.00 H new ATOM 0 HD23 LEU A 66 16.932 24.022 1.786 1.00 0.00 H new ATOM 1066 N GLY A 67 20.273 25.565 4.139 1.00 0.00 N ATOM 1067 CA GLY A 67 21.410 26.120 4.926 1.00 0.00 C ATOM 1068 C GLY A 67 20.930 27.301 5.785 1.00 0.00 C ATOM 1069 O GLY A 67 20.942 27.232 6.998 1.00 0.00 O ATOM 0 H GLY A 67 20.156 25.960 3.206 1.00 0.00 H new ATOM 0 HA2 GLY A 67 21.834 25.345 5.564 1.00 0.00 H new ATOM 0 HA3 GLY A 67 22.203 26.448 4.253 1.00 0.00 H new ATOM 1073 N ALA A 68 20.511 28.388 5.175 1.00 0.00 N ATOM 1074 CA ALA A 68 20.045 29.557 5.975 1.00 0.00 C ATOM 1075 C ALA A 68 20.023 30.797 5.082 1.00 0.00 C ATOM 1076 O ALA A 68 20.936 31.599 5.093 1.00 0.00 O ATOM 1077 CB ALA A 68 21.001 29.791 7.147 1.00 0.00 C ATOM 0 H ALA A 68 20.474 28.511 4.163 1.00 0.00 H new ATOM 0 HA ALA A 68 19.044 29.361 6.360 1.00 0.00 H new ATOM 0 HB1 ALA A 68 20.659 30.646 7.731 1.00 0.00 H new ATOM 0 HB2 ALA A 68 21.023 28.905 7.781 1.00 0.00 H new ATOM 0 HB3 ALA A 68 22.003 29.990 6.765 1.00 0.00 H new ATOM 1083 N THR A 69 18.992 30.956 4.303 1.00 0.00 N ATOM 1084 CA THR A 69 18.913 32.137 3.398 1.00 0.00 C ATOM 1085 C THR A 69 17.804 31.915 2.370 1.00 0.00 C ATOM 1086 O THR A 69 17.588 30.805 1.925 1.00 0.00 O ATOM 1087 CB THR A 69 20.253 32.306 2.674 1.00 0.00 C ATOM 1088 OG1 THR A 69 20.069 33.114 1.520 1.00 0.00 O ATOM 1089 CG2 THR A 69 20.791 30.935 2.262 1.00 0.00 C ATOM 0 H THR A 69 18.198 30.318 4.253 1.00 0.00 H new ATOM 0 HA THR A 69 18.695 33.033 3.980 1.00 0.00 H new ATOM 0 HB THR A 69 20.968 32.786 3.342 1.00 0.00 H new ATOM 0 HG1 THR A 69 20.926 33.224 1.058 1.00 0.00 H new ATOM 0 HG21 THR A 69 21.744 31.058 1.747 1.00 0.00 H new ATOM 0 HG22 THR A 69 20.935 30.319 3.150 1.00 0.00 H new ATOM 0 HG23 THR A 69 20.078 30.450 1.595 1.00 0.00 H new ATOM 1097 N ALA A 70 17.103 32.949 1.958 1.00 0.00 N ATOM 1098 CA ALA A 70 16.050 32.743 0.937 1.00 0.00 C ATOM 1099 C ALA A 70 16.669 31.916 -0.185 1.00 0.00 C ATOM 1100 O ALA A 70 15.997 31.185 -0.884 1.00 0.00 O ATOM 1101 CB ALA A 70 15.582 34.093 0.392 1.00 0.00 C ATOM 0 H ALA A 70 17.220 33.908 2.285 1.00 0.00 H new ATOM 0 HA ALA A 70 15.187 32.233 1.365 1.00 0.00 H new ATOM 0 HB1 ALA A 70 14.808 33.934 -0.358 1.00 0.00 H new ATOM 0 HB2 ALA A 70 15.179 34.695 1.207 1.00 0.00 H new ATOM 0 HB3 ALA A 70 16.425 34.614 -0.062 1.00 0.00 H new ATOM 1107 N GLN A 71 17.962 32.027 -0.351 1.00 0.00 N ATOM 1108 CA GLN A 71 18.643 31.240 -1.418 1.00 0.00 C ATOM 1109 C GLN A 71 18.487 29.751 -1.101 1.00 0.00 C ATOM 1110 O GLN A 71 18.072 28.968 -1.932 1.00 0.00 O ATOM 1111 CB GLN A 71 20.127 31.609 -1.460 1.00 0.00 C ATOM 1112 CG GLN A 71 20.283 33.031 -2.008 1.00 0.00 C ATOM 1113 CD GLN A 71 20.750 32.971 -3.464 1.00 0.00 C ATOM 1114 OE1 GLN A 71 21.918 33.154 -3.747 1.00 0.00 O ATOM 1115 NE2 GLN A 71 19.883 32.722 -4.406 1.00 0.00 N ATOM 0 H GLN A 71 18.572 32.627 0.205 1.00 0.00 H new ATOM 0 HA GLN A 71 18.198 31.461 -2.388 1.00 0.00 H new ATOM 0 HB2 GLN A 71 20.558 31.543 -0.461 1.00 0.00 H new ATOM 0 HB3 GLN A 71 20.671 30.904 -2.088 1.00 0.00 H new ATOM 0 HG2 GLN A 71 19.334 33.563 -1.941 1.00 0.00 H new ATOM 0 HG3 GLN A 71 21.003 33.586 -1.407 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.903 32.568 -4.169 1.00 0.00 H new ATOM 0 HE22 GLN A 71 20.185 32.681 -5.379 1.00 0.00 H new ATOM 1124 N GLN A 72 18.803 29.360 0.105 1.00 0.00 N ATOM 1125 CA GLN A 72 18.657 27.928 0.488 1.00 0.00 C ATOM 1126 C GLN A 72 17.236 27.474 0.132 1.00 0.00 C ATOM 1127 O GLN A 72 17.014 26.356 -0.286 1.00 0.00 O ATOM 1128 CB GLN A 72 18.915 27.792 2.006 1.00 0.00 C ATOM 1129 CG GLN A 72 17.904 26.844 2.666 1.00 0.00 C ATOM 1130 CD GLN A 72 16.645 27.622 3.058 1.00 0.00 C ATOM 1131 OE1 GLN A 72 15.603 27.456 2.456 1.00 0.00 O ATOM 1132 NE2 GLN A 72 16.698 28.463 4.052 1.00 0.00 N ATOM 0 H GLN A 72 19.156 29.972 0.841 1.00 0.00 H new ATOM 0 HA GLN A 72 19.373 27.303 -0.045 1.00 0.00 H new ATOM 0 HB2 GLN A 72 19.926 27.420 2.172 1.00 0.00 H new ATOM 0 HB3 GLN A 72 18.855 28.774 2.476 1.00 0.00 H new ATOM 0 HG2 GLN A 72 17.646 26.038 1.980 1.00 0.00 H new ATOM 0 HG3 GLN A 72 18.347 26.382 3.548 1.00 0.00 H new ATOM 0 HE21 GLN A 72 17.573 28.602 4.557 1.00 0.00 H new ATOM 0 HE22 GLN A 72 15.864 28.983 4.325 1.00 0.00 H new ATOM 1141 N PHE A 73 16.279 28.341 0.307 1.00 0.00 N ATOM 1142 CA PHE A 73 14.869 27.977 -0.007 1.00 0.00 C ATOM 1143 C PHE A 73 14.737 27.642 -1.496 1.00 0.00 C ATOM 1144 O PHE A 73 14.035 26.726 -1.874 1.00 0.00 O ATOM 1145 CB PHE A 73 13.960 29.159 0.333 1.00 0.00 C ATOM 1146 CG PHE A 73 12.517 28.759 0.138 1.00 0.00 C ATOM 1147 CD1 PHE A 73 12.078 27.495 0.556 1.00 0.00 C ATOM 1148 CD2 PHE A 73 11.618 29.650 -0.456 1.00 0.00 C ATOM 1149 CE1 PHE A 73 10.741 27.126 0.376 1.00 0.00 C ATOM 1150 CE2 PHE A 73 10.279 29.281 -0.634 1.00 0.00 C ATOM 1151 CZ PHE A 73 9.841 28.019 -0.219 1.00 0.00 C ATOM 0 H PHE A 73 16.413 29.290 0.655 1.00 0.00 H new ATOM 0 HA PHE A 73 14.579 27.106 0.581 1.00 0.00 H new ATOM 0 HB2 PHE A 73 14.125 29.473 1.364 1.00 0.00 H new ATOM 0 HB3 PHE A 73 14.201 30.011 -0.303 1.00 0.00 H new ATOM 0 HD1 PHE A 73 12.771 26.807 1.017 1.00 0.00 H new ATOM 0 HD2 PHE A 73 11.957 30.624 -0.778 1.00 0.00 H new ATOM 0 HE1 PHE A 73 10.402 26.152 0.696 1.00 0.00 H new ATOM 0 HE2 PHE A 73 9.585 29.970 -1.091 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.809 27.733 -0.357 1.00 0.00 H new ATOM 1161 N HIS A 74 15.395 28.385 -2.343 1.00 0.00 N ATOM 1162 CA HIS A 74 15.293 28.115 -3.805 1.00 0.00 C ATOM 1163 C HIS A 74 15.874 26.753 -4.142 1.00 0.00 C ATOM 1164 O HIS A 74 15.391 26.048 -4.997 1.00 0.00 O ATOM 1165 CB HIS A 74 16.050 29.196 -4.572 1.00 0.00 C ATOM 1166 CG HIS A 74 15.164 29.765 -5.647 1.00 0.00 C ATOM 1167 ND1 HIS A 74 14.096 29.058 -6.175 1.00 0.00 N ATOM 1168 CD2 HIS A 74 15.174 30.972 -6.301 1.00 0.00 C ATOM 1169 CE1 HIS A 74 13.514 29.836 -7.104 1.00 0.00 C ATOM 1170 NE2 HIS A 74 14.130 31.015 -7.222 1.00 0.00 N ATOM 0 H HIS A 74 15.998 29.166 -2.086 1.00 0.00 H new ATOM 0 HA HIS A 74 14.241 28.123 -4.090 1.00 0.00 H new ATOM 0 HB2 HIS A 74 16.366 29.986 -3.891 1.00 0.00 H new ATOM 0 HB3 HIS A 74 16.953 28.777 -5.015 1.00 0.00 H new ATOM 0 HD2 HIS A 74 15.884 31.767 -6.128 1.00 0.00 H new ATOM 0 HE1 HIS A 74 12.652 29.543 -7.685 1.00 0.00 H new ATOM 0 HE2 HIS A 74 13.888 31.781 -7.851 1.00 0.00 H new ATOM 1178 N ARG A 75 16.908 26.398 -3.469 1.00 0.00 N ATOM 1179 CA ARG A 75 17.571 25.082 -3.719 1.00 0.00 C ATOM 1180 C ARG A 75 16.622 23.943 -3.345 1.00 0.00 C ATOM 1181 O ARG A 75 16.652 22.877 -3.926 1.00 0.00 O ATOM 1182 CB ARG A 75 18.840 24.983 -2.871 1.00 0.00 C ATOM 1183 CG ARG A 75 20.064 24.927 -3.788 1.00 0.00 C ATOM 1184 CD ARG A 75 20.566 23.486 -3.881 1.00 0.00 C ATOM 1185 NE ARG A 75 21.207 23.100 -2.593 1.00 0.00 N ATOM 1186 CZ ARG A 75 22.391 23.561 -2.291 1.00 0.00 C ATOM 1187 NH1 ARG A 75 23.457 22.989 -2.778 1.00 0.00 N ATOM 1188 NH2 ARG A 75 22.506 24.593 -1.501 1.00 0.00 N ATOM 0 H ARG A 75 17.342 26.963 -2.739 1.00 0.00 H new ATOM 0 HA ARG A 75 17.827 25.005 -4.776 1.00 0.00 H new ATOM 0 HB2 ARG A 75 18.912 25.841 -2.203 1.00 0.00 H new ATOM 0 HB3 ARG A 75 18.802 24.093 -2.243 1.00 0.00 H new ATOM 0 HG2 ARG A 75 19.806 25.298 -4.780 1.00 0.00 H new ATOM 0 HG3 ARG A 75 20.852 25.573 -3.401 1.00 0.00 H new ATOM 0 HD2 ARG A 75 19.737 22.814 -4.103 1.00 0.00 H new ATOM 0 HD3 ARG A 75 21.281 23.391 -4.698 1.00 0.00 H new ATOM 0 HE ARG A 75 20.722 22.476 -1.948 1.00 0.00 H new ATOM 0 HH11 ARG A 75 23.366 22.182 -3.395 1.00 0.00 H new ATOM 0 HH12 ARG A 75 24.382 23.349 -2.542 1.00 0.00 H new ATOM 0 HH21 ARG A 75 21.672 25.039 -1.120 1.00 0.00 H new ATOM 0 HH22 ARG A 75 23.430 24.954 -1.265 1.00 0.00 H new ATOM 1202 N HIS A 76 15.785 24.157 -2.376 1.00 0.00 N ATOM 1203 CA HIS A 76 14.831 23.081 -1.968 1.00 0.00 C ATOM 1204 C HIS A 76 13.764 22.909 -3.064 1.00 0.00 C ATOM 1205 O HIS A 76 13.409 21.805 -3.430 1.00 0.00 O ATOM 1206 CB HIS A 76 14.189 23.436 -0.600 1.00 0.00 C ATOM 1207 CG HIS A 76 12.723 23.087 -0.562 1.00 0.00 C ATOM 1208 ND1 HIS A 76 12.220 21.923 -1.120 1.00 0.00 N ATOM 1209 CD2 HIS A 76 11.643 23.751 -0.040 1.00 0.00 C ATOM 1210 CE1 HIS A 76 10.889 21.924 -0.924 1.00 0.00 C ATOM 1211 NE2 HIS A 76 10.484 23.016 -0.269 1.00 0.00 N ATOM 0 H HIS A 76 15.715 25.026 -1.846 1.00 0.00 H new ATOM 0 HA HIS A 76 15.360 22.135 -1.851 1.00 0.00 H new ATOM 0 HB2 HIS A 76 14.710 22.903 0.195 1.00 0.00 H new ATOM 0 HB3 HIS A 76 14.314 24.501 -0.405 1.00 0.00 H new ATOM 0 HD2 HIS A 76 11.685 24.701 0.472 1.00 0.00 H new ATOM 0 HE1 HIS A 76 10.228 21.137 -1.256 1.00 0.00 H new ATOM 0 HE2 HIS A 76 9.532 23.258 0.004 1.00 0.00 H new ATOM 1219 N LYS A 77 13.246 23.990 -3.578 1.00 0.00 N ATOM 1220 CA LYS A 77 12.190 23.894 -4.631 1.00 0.00 C ATOM 1221 C LYS A 77 12.760 23.384 -5.964 1.00 0.00 C ATOM 1222 O LYS A 77 12.093 22.681 -6.692 1.00 0.00 O ATOM 1223 CB LYS A 77 11.573 25.278 -4.847 1.00 0.00 C ATOM 1224 CG LYS A 77 10.781 25.681 -3.601 1.00 0.00 C ATOM 1225 CD LYS A 77 9.346 26.028 -3.999 1.00 0.00 C ATOM 1226 CE LYS A 77 9.356 27.197 -4.985 1.00 0.00 C ATOM 1227 NZ LYS A 77 9.188 26.681 -6.372 1.00 0.00 N ATOM 0 H LYS A 77 13.508 24.940 -3.315 1.00 0.00 H new ATOM 0 HA LYS A 77 11.437 23.183 -4.292 1.00 0.00 H new ATOM 0 HB2 LYS A 77 12.355 26.010 -5.047 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.919 25.265 -5.719 1.00 0.00 H new ATOM 0 HG2 LYS A 77 10.782 24.866 -2.877 1.00 0.00 H new ATOM 0 HG3 LYS A 77 11.253 26.537 -3.118 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.864 25.162 -4.451 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.766 26.290 -3.114 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.553 27.895 -4.746 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.293 27.748 -4.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 10.037 26.903 -6.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.052 25.650 -6.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.358 27.128 -6.811 1.00 0.00 H new ATOM 1241 N GLN A 78 13.962 23.753 -6.312 1.00 0.00 N ATOM 1242 CA GLN A 78 14.527 23.300 -7.627 1.00 0.00 C ATOM 1243 C GLN A 78 14.703 21.781 -7.666 1.00 0.00 C ATOM 1244 O GLN A 78 14.299 21.130 -8.602 1.00 0.00 O ATOM 1245 CB GLN A 78 15.895 23.936 -7.868 1.00 0.00 C ATOM 1246 CG GLN A 78 16.644 24.099 -6.548 1.00 0.00 C ATOM 1247 CD GLN A 78 18.050 23.510 -6.684 1.00 0.00 C ATOM 1248 OE1 GLN A 78 18.388 22.556 -6.013 1.00 0.00 O ATOM 1249 NE2 GLN A 78 18.889 24.043 -7.529 1.00 0.00 N ATOM 0 H GLN A 78 14.577 24.343 -5.752 1.00 0.00 H new ATOM 0 HA GLN A 78 13.821 23.606 -8.399 1.00 0.00 H new ATOM 0 HB2 GLN A 78 16.477 23.316 -8.550 1.00 0.00 H new ATOM 0 HB3 GLN A 78 15.773 24.908 -8.347 1.00 0.00 H new ATOM 0 HG2 GLN A 78 16.704 25.154 -6.279 1.00 0.00 H new ATOM 0 HG3 GLN A 78 16.103 23.596 -5.746 1.00 0.00 H new ATOM 0 HE21 GLN A 78 18.605 24.844 -8.093 1.00 0.00 H new ATOM 0 HE22 GLN A 78 19.829 23.658 -7.626 1.00 0.00 H new ATOM 1258 N LEU A 79 15.334 21.219 -6.679 1.00 0.00 N ATOM 1259 CA LEU A 79 15.570 19.747 -6.679 1.00 0.00 C ATOM 1260 C LEU A 79 14.251 18.998 -6.555 1.00 0.00 C ATOM 1261 O LEU A 79 13.991 18.105 -7.313 1.00 0.00 O ATOM 1262 CB LEU A 79 16.492 19.365 -5.519 1.00 0.00 C ATOM 1263 CG LEU A 79 17.929 19.764 -5.857 1.00 0.00 C ATOM 1264 CD1 LEU A 79 18.586 20.396 -4.629 1.00 0.00 C ATOM 1265 CD2 LEU A 79 18.718 18.520 -6.273 1.00 0.00 C ATOM 0 H LEU A 79 15.700 21.715 -5.866 1.00 0.00 H new ATOM 0 HA LEU A 79 16.044 19.471 -7.621 1.00 0.00 H new ATOM 0 HB2 LEU A 79 16.170 19.864 -4.605 1.00 0.00 H new ATOM 0 HB3 LEU A 79 16.435 18.292 -5.333 1.00 0.00 H new ATOM 0 HG LEU A 79 17.923 20.483 -6.676 1.00 0.00 H new ATOM 0 HD11 LEU A 79 19.610 20.680 -4.870 1.00 0.00 H new ATOM 0 HD12 LEU A 79 18.024 21.281 -4.331 1.00 0.00 H new ATOM 0 HD13 LEU A 79 18.592 19.677 -3.809 1.00 0.00 H new ATOM 0 HD21 LEU A 79 19.743 18.803 -6.514 1.00 0.00 H new ATOM 0 HD22 LEU A 79 18.723 17.802 -5.453 1.00 0.00 H new ATOM 0 HD23 LEU A 79 18.251 18.069 -7.148 1.00 0.00 H new ATOM 1277 N ILE A 80 13.419 19.340 -5.614 1.00 0.00 N ATOM 1278 CA ILE A 80 12.114 18.620 -5.486 1.00 0.00 C ATOM 1279 C ILE A 80 11.285 18.867 -6.751 1.00 0.00 C ATOM 1280 O ILE A 80 10.492 18.040 -7.148 1.00 0.00 O ATOM 1281 CB ILE A 80 11.372 19.150 -4.250 1.00 0.00 C ATOM 1282 CG1 ILE A 80 11.728 18.282 -3.040 1.00 0.00 C ATOM 1283 CG2 ILE A 80 9.852 19.108 -4.462 1.00 0.00 C ATOM 1284 CD1 ILE A 80 12.807 18.977 -2.211 1.00 0.00 C ATOM 0 H ILE A 80 13.580 20.080 -4.931 1.00 0.00 H new ATOM 0 HA ILE A 80 12.279 17.549 -5.371 1.00 0.00 H new ATOM 0 HB ILE A 80 11.674 20.184 -4.082 1.00 0.00 H new ATOM 0 HG12 ILE A 80 10.841 18.109 -2.430 1.00 0.00 H new ATOM 0 HG13 ILE A 80 12.082 17.306 -3.371 1.00 0.00 H new ATOM 0 HG21 ILE A 80 9.350 19.488 -3.572 1.00 0.00 H new ATOM 0 HG22 ILE A 80 9.587 19.726 -5.320 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.538 18.080 -4.644 1.00 0.00 H new ATOM 0 HD11 ILE A 80 13.059 18.358 -1.350 1.00 0.00 H new ATOM 0 HD12 ILE A 80 13.696 19.127 -2.823 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.436 19.943 -1.867 1.00 0.00 H new ATOM 1296 N ARG A 81 11.461 19.992 -7.386 1.00 0.00 N ATOM 1297 CA ARG A 81 10.679 20.268 -8.628 1.00 0.00 C ATOM 1298 C ARG A 81 11.142 19.290 -9.697 1.00 0.00 C ATOM 1299 O ARG A 81 10.360 18.596 -10.314 1.00 0.00 O ATOM 1300 CB ARG A 81 10.947 21.694 -9.102 1.00 0.00 C ATOM 1301 CG ARG A 81 9.992 22.040 -10.247 1.00 0.00 C ATOM 1302 CD ARG A 81 8.649 22.489 -9.670 1.00 0.00 C ATOM 1303 NE ARG A 81 7.945 23.348 -10.663 1.00 0.00 N ATOM 1304 CZ ARG A 81 7.669 24.591 -10.374 1.00 0.00 C ATOM 1305 NH1 ARG A 81 6.828 24.867 -9.415 1.00 0.00 N ATOM 1306 NH2 ARG A 81 8.237 25.557 -11.043 1.00 0.00 N ATOM 0 H ARG A 81 12.107 20.729 -7.103 1.00 0.00 H new ATOM 0 HA ARG A 81 9.612 20.155 -8.435 1.00 0.00 H new ATOM 0 HB2 ARG A 81 10.812 22.394 -8.277 1.00 0.00 H new ATOM 0 HB3 ARG A 81 11.980 21.790 -9.435 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.418 22.831 -10.864 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.851 21.173 -10.893 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.037 21.621 -9.426 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.805 23.040 -8.742 1.00 0.00 H new ATOM 0 HE ARG A 81 7.678 22.965 -11.570 1.00 0.00 H new ATOM 0 HH11 ARG A 81 6.386 24.112 -8.891 1.00 0.00 H new ATOM 0 HH12 ARG A 81 6.613 25.838 -9.189 1.00 0.00 H new ATOM 0 HH21 ARG A 81 8.896 25.341 -11.791 1.00 0.00 H new ATOM 0 HH22 ARG A 81 8.022 26.528 -10.818 1.00 0.00 H new ATOM 1320 N PHE A 82 12.425 19.216 -9.889 1.00 0.00 N ATOM 1321 CA PHE A 82 12.991 18.280 -10.868 1.00 0.00 C ATOM 1322 C PHE A 82 12.735 16.862 -10.356 1.00 0.00 C ATOM 1323 O PHE A 82 12.592 15.930 -11.120 1.00 0.00 O ATOM 1324 CB PHE A 82 14.486 18.572 -10.992 1.00 0.00 C ATOM 1325 CG PHE A 82 14.715 19.537 -12.132 1.00 0.00 C ATOM 1326 CD1 PHE A 82 14.220 19.242 -13.408 1.00 0.00 C ATOM 1327 CD2 PHE A 82 15.420 20.726 -11.912 1.00 0.00 C ATOM 1328 CE1 PHE A 82 14.432 20.135 -14.464 1.00 0.00 C ATOM 1329 CE2 PHE A 82 15.632 21.620 -12.969 1.00 0.00 C ATOM 1330 CZ PHE A 82 15.137 21.324 -14.244 1.00 0.00 C ATOM 0 H PHE A 82 13.114 19.782 -9.393 1.00 0.00 H new ATOM 0 HA PHE A 82 12.536 18.385 -11.853 1.00 0.00 H new ATOM 0 HB2 PHE A 82 14.864 18.995 -10.061 1.00 0.00 H new ATOM 0 HB3 PHE A 82 15.035 17.647 -11.168 1.00 0.00 H new ATOM 0 HD1 PHE A 82 13.675 18.325 -13.577 1.00 0.00 H new ATOM 0 HD2 PHE A 82 15.800 20.954 -10.927 1.00 0.00 H new ATOM 0 HE1 PHE A 82 14.052 19.907 -15.449 1.00 0.00 H new ATOM 0 HE2 PHE A 82 16.177 22.537 -12.800 1.00 0.00 H new ATOM 0 HZ PHE A 82 15.299 22.014 -15.059 1.00 0.00 H new ATOM 1340 N LEU A 83 12.653 16.699 -9.057 1.00 0.00 N ATOM 1341 CA LEU A 83 12.379 15.359 -8.488 1.00 0.00 C ATOM 1342 C LEU A 83 10.982 14.926 -8.918 1.00 0.00 C ATOM 1343 O LEU A 83 10.723 13.774 -9.204 1.00 0.00 O ATOM 1344 CB LEU A 83 12.459 15.477 -6.969 1.00 0.00 C ATOM 1345 CG LEU A 83 13.911 15.308 -6.526 1.00 0.00 C ATOM 1346 CD1 LEU A 83 13.978 15.287 -4.998 1.00 0.00 C ATOM 1347 CD2 LEU A 83 14.476 13.992 -7.069 1.00 0.00 C ATOM 0 H LEU A 83 12.766 17.445 -8.371 1.00 0.00 H new ATOM 0 HA LEU A 83 13.099 14.619 -8.837 1.00 0.00 H new ATOM 0 HB2 LEU A 83 12.079 16.447 -6.647 1.00 0.00 H new ATOM 0 HB3 LEU A 83 11.833 14.718 -6.500 1.00 0.00 H new ATOM 0 HG LEU A 83 14.498 16.141 -6.913 1.00 0.00 H new ATOM 0 HD11 LEU A 83 15.014 15.166 -4.681 1.00 0.00 H new ATOM 0 HD12 LEU A 83 13.584 16.224 -4.604 1.00 0.00 H new ATOM 0 HD13 LEU A 83 13.383 14.456 -4.619 1.00 0.00 H new ATOM 0 HD21 LEU A 83 15.512 13.881 -6.748 1.00 0.00 H new ATOM 0 HD22 LEU A 83 13.886 13.158 -6.688 1.00 0.00 H new ATOM 0 HD23 LEU A 83 14.433 13.999 -8.158 1.00 0.00 H new ATOM 1359 N LYS A 84 10.097 15.866 -8.976 1.00 0.00 N ATOM 1360 CA LYS A 84 8.700 15.578 -9.399 1.00 0.00 C ATOM 1361 C LYS A 84 8.675 15.279 -10.896 1.00 0.00 C ATOM 1362 O LYS A 84 8.062 14.332 -11.330 1.00 0.00 O ATOM 1363 CB LYS A 84 7.812 16.788 -9.102 1.00 0.00 C ATOM 1364 CG LYS A 84 6.405 16.307 -8.736 1.00 0.00 C ATOM 1365 CD LYS A 84 5.397 16.862 -9.744 1.00 0.00 C ATOM 1366 CE LYS A 84 5.197 18.356 -9.496 1.00 0.00 C ATOM 1367 NZ LYS A 84 3.745 18.683 -9.580 1.00 0.00 N ATOM 0 H LYS A 84 10.280 16.842 -8.745 1.00 0.00 H new ATOM 0 HA LYS A 84 8.325 14.715 -8.849 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.234 17.371 -8.283 1.00 0.00 H new ATOM 0 HB3 LYS A 84 7.770 17.444 -9.971 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.371 15.218 -8.734 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.147 16.636 -7.729 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.754 16.696 -10.760 1.00 0.00 H new ATOM 0 HD3 LYS A 84 4.447 16.337 -9.650 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.586 18.628 -8.515 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.755 18.936 -10.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.608 19.700 -9.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.388 18.438 -10.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.225 18.140 -8.862 1.00 0.00 H new ATOM 1381 N ARG A 85 9.336 16.073 -11.695 1.00 0.00 N ATOM 1382 CA ARG A 85 9.331 15.795 -13.154 1.00 0.00 C ATOM 1383 C ARG A 85 9.863 14.387 -13.371 1.00 0.00 C ATOM 1384 O ARG A 85 9.423 13.656 -14.237 1.00 0.00 O ATOM 1385 CB ARG A 85 10.220 16.807 -13.882 1.00 0.00 C ATOM 1386 CG ARG A 85 9.656 18.216 -13.680 1.00 0.00 C ATOM 1387 CD ARG A 85 10.389 19.196 -14.600 1.00 0.00 C ATOM 1388 NE ARG A 85 9.463 20.292 -14.999 1.00 0.00 N ATOM 1389 CZ ARG A 85 9.916 21.322 -15.661 1.00 0.00 C ATOM 1390 NH1 ARG A 85 10.845 21.161 -16.563 1.00 0.00 N ATOM 1391 NH2 ARG A 85 9.440 22.512 -15.418 1.00 0.00 N ATOM 0 H ARG A 85 9.871 16.891 -11.403 1.00 0.00 H new ATOM 0 HA ARG A 85 8.319 15.879 -13.549 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.240 16.753 -13.500 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.265 16.570 -14.945 1.00 0.00 H new ATOM 0 HG2 ARG A 85 8.588 18.226 -13.897 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.773 18.520 -12.640 1.00 0.00 H new ATOM 0 HD2 ARG A 85 11.259 19.609 -14.089 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.756 18.676 -15.485 1.00 0.00 H new ATOM 0 HE ARG A 85 8.474 20.238 -14.755 1.00 0.00 H new ATOM 0 HH11 ARG A 85 11.217 20.230 -16.751 1.00 0.00 H new ATOM 0 HH12 ARG A 85 11.199 21.966 -17.080 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.715 22.637 -14.712 1.00 0.00 H new ATOM 0 HH22 ARG A 85 9.793 23.318 -15.934 1.00 0.00 H new ATOM 1405 N LEU A 86 10.811 14.014 -12.576 1.00 0.00 N ATOM 1406 CA LEU A 86 11.411 12.657 -12.688 1.00 0.00 C ATOM 1407 C LEU A 86 10.418 11.582 -12.222 1.00 0.00 C ATOM 1408 O LEU A 86 10.376 10.503 -12.770 1.00 0.00 O ATOM 1409 CB LEU A 86 12.670 12.588 -11.822 1.00 0.00 C ATOM 1410 CG LEU A 86 13.216 11.158 -11.828 1.00 0.00 C ATOM 1411 CD1 LEU A 86 13.325 10.661 -13.271 1.00 0.00 C ATOM 1412 CD2 LEU A 86 14.598 11.136 -11.175 1.00 0.00 C ATOM 0 H LEU A 86 11.207 14.597 -11.839 1.00 0.00 H new ATOM 0 HA LEU A 86 11.662 12.472 -13.733 1.00 0.00 H new ATOM 0 HB2 LEU A 86 13.424 13.278 -12.202 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.440 12.897 -10.802 1.00 0.00 H new ATOM 0 HG LEU A 86 12.541 10.509 -11.270 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.714 9.643 -13.277 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.339 10.676 -13.736 1.00 0.00 H new ATOM 0 HD13 LEU A 86 14.000 11.310 -13.829 1.00 0.00 H new ATOM 0 HD21 LEU A 86 14.986 10.118 -11.179 1.00 0.00 H new ATOM 0 HD22 LEU A 86 15.274 11.785 -11.732 1.00 0.00 H new ATOM 0 HD23 LEU A 86 14.520 11.490 -10.147 1.00 0.00 H new ATOM 1424 N ASP A 87 9.625 11.851 -11.210 1.00 0.00 N ATOM 1425 CA ASP A 87 8.664 10.818 -10.724 1.00 0.00 C ATOM 1426 C ASP A 87 7.552 10.611 -11.741 1.00 0.00 C ATOM 1427 O ASP A 87 7.243 9.508 -12.147 1.00 0.00 O ATOM 1428 CB ASP A 87 8.029 11.328 -9.450 1.00 0.00 C ATOM 1429 CG ASP A 87 7.658 10.154 -8.543 1.00 0.00 C ATOM 1430 OD1 ASP A 87 8.555 9.589 -7.939 1.00 0.00 O ATOM 1431 OD2 ASP A 87 6.482 9.838 -8.467 1.00 0.00 O ATOM 0 H ASP A 87 9.604 12.737 -10.705 1.00 0.00 H new ATOM 0 HA ASP A 87 9.196 9.880 -10.565 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.719 11.994 -8.932 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.139 11.911 -9.686 1.00 0.00 H new ATOM 1436 N ARG A 88 6.942 11.681 -12.132 1.00 0.00 N ATOM 1437 CA ARG A 88 5.818 11.607 -13.114 1.00 0.00 C ATOM 1438 C ARG A 88 6.290 10.968 -14.427 1.00 0.00 C ATOM 1439 O ARG A 88 5.610 10.149 -15.012 1.00 0.00 O ATOM 1440 CB ARG A 88 5.312 13.023 -13.401 1.00 0.00 C ATOM 1441 CG ARG A 88 4.404 13.482 -12.259 1.00 0.00 C ATOM 1442 CD ARG A 88 3.089 12.700 -12.305 1.00 0.00 C ATOM 1443 NE ARG A 88 2.473 12.841 -13.655 1.00 0.00 N ATOM 1444 CZ ARG A 88 1.564 13.753 -13.866 1.00 0.00 C ATOM 1445 NH1 ARG A 88 1.597 14.874 -13.200 1.00 0.00 N ATOM 1446 NH2 ARG A 88 0.619 13.542 -14.743 1.00 0.00 N ATOM 0 H ARG A 88 7.171 12.623 -11.814 1.00 0.00 H new ATOM 0 HA ARG A 88 5.020 10.996 -12.692 1.00 0.00 H new ATOM 0 HB2 ARG A 88 6.154 13.707 -13.507 1.00 0.00 H new ATOM 0 HB3 ARG A 88 4.766 13.041 -14.344 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.899 13.325 -11.301 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.207 14.551 -12.344 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.271 11.648 -12.085 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.406 13.072 -11.541 1.00 0.00 H new ATOM 0 HE ARG A 88 2.762 12.224 -14.414 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.334 15.038 -12.514 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.886 15.587 -13.365 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.592 12.665 -15.262 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.092 14.255 -14.908 1.00 0.00 H new ATOM 1460 N ASN A 89 7.443 11.355 -14.902 1.00 0.00 N ATOM 1461 CA ASN A 89 7.957 10.786 -16.200 1.00 0.00 C ATOM 1462 C ASN A 89 8.371 9.321 -16.013 1.00 0.00 C ATOM 1463 O ASN A 89 8.203 8.505 -16.894 1.00 0.00 O ATOM 1464 CB ASN A 89 9.164 11.614 -16.712 1.00 0.00 C ATOM 1465 CG ASN A 89 10.303 10.696 -17.179 1.00 0.00 C ATOM 1466 OD1 ASN A 89 11.228 10.431 -16.438 1.00 0.00 O ATOM 1467 ND2 ASN A 89 10.266 10.192 -18.382 1.00 0.00 N ATOM 0 H ASN A 89 8.056 12.038 -14.456 1.00 0.00 H new ATOM 0 HA ASN A 89 7.157 10.835 -16.938 1.00 0.00 H new ATOM 0 HB2 ASN A 89 8.847 12.254 -17.535 1.00 0.00 H new ATOM 0 HB3 ASN A 89 9.523 12.270 -15.918 1.00 0.00 H new ATOM 0 HD21 ASN A 89 11.014 9.576 -18.700 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.489 10.414 -19.004 1.00 0.00 H new ATOM 1474 N LEU A 90 8.941 8.992 -14.895 1.00 0.00 N ATOM 1475 CA LEU A 90 9.388 7.620 -14.667 1.00 0.00 C ATOM 1476 C LEU A 90 8.253 6.632 -14.972 1.00 0.00 C ATOM 1477 O LEU A 90 8.487 5.511 -15.359 1.00 0.00 O ATOM 1478 CB LEU A 90 9.825 7.520 -13.210 1.00 0.00 C ATOM 1479 CG LEU A 90 10.921 6.465 -13.067 1.00 0.00 C ATOM 1480 CD1 LEU A 90 10.995 5.987 -11.617 1.00 0.00 C ATOM 1481 CD2 LEU A 90 10.600 5.292 -13.981 1.00 0.00 C ATOM 0 H LEU A 90 9.114 9.635 -14.123 1.00 0.00 H new ATOM 0 HA LEU A 90 10.219 7.368 -15.326 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.191 8.487 -12.864 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.973 7.259 -12.583 1.00 0.00 H new ATOM 0 HG LEU A 90 11.883 6.895 -13.345 1.00 0.00 H new ATOM 0 HD11 LEU A 90 11.778 5.235 -11.521 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.222 6.832 -10.967 1.00 0.00 H new ATOM 0 HD13 LEU A 90 10.038 5.553 -11.328 1.00 0.00 H new ATOM 0 HD21 LEU A 90 11.377 4.533 -13.886 1.00 0.00 H new ATOM 0 HD22 LEU A 90 9.638 4.864 -13.699 1.00 0.00 H new ATOM 0 HD23 LEU A 90 10.555 5.637 -15.014 1.00 0.00 H new ATOM 1493 N TRP A 91 7.023 7.028 -14.804 1.00 0.00 N ATOM 1494 CA TRP A 91 5.904 6.095 -15.091 1.00 0.00 C ATOM 1495 C TRP A 91 5.876 5.764 -16.593 1.00 0.00 C ATOM 1496 O TRP A 91 5.597 4.645 -16.978 1.00 0.00 O ATOM 1497 CB TRP A 91 4.581 6.748 -14.668 1.00 0.00 C ATOM 1498 CG TRP A 91 4.470 6.771 -13.185 1.00 0.00 C ATOM 1499 CD1 TRP A 91 4.365 7.889 -12.450 1.00 0.00 C ATOM 1500 CD2 TRP A 91 4.431 5.655 -12.251 1.00 0.00 C ATOM 1501 NE1 TRP A 91 4.270 7.544 -11.115 1.00 0.00 N ATOM 1502 CE2 TRP A 91 4.306 6.175 -10.940 1.00 0.00 C ATOM 1503 CE3 TRP A 91 4.494 4.259 -12.406 1.00 0.00 C ATOM 1504 CZ2 TRP A 91 4.245 5.341 -9.825 1.00 0.00 C ATOM 1505 CZ3 TRP A 91 4.431 3.415 -11.284 1.00 0.00 C ATOM 1506 CH2 TRP A 91 4.306 3.957 -9.997 1.00 0.00 C ATOM 0 H TRP A 91 6.746 7.955 -14.481 1.00 0.00 H new ATOM 0 HA TRP A 91 6.044 5.170 -14.531 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.527 7.764 -15.060 1.00 0.00 H new ATOM 0 HB3 TRP A 91 3.743 6.197 -15.094 1.00 0.00 H new ATOM 0 HD1 TRP A 91 4.356 8.896 -12.839 1.00 0.00 H new ATOM 0 HE1 TRP A 91 4.184 8.217 -10.354 1.00 0.00 H new ATOM 0 HE3 TRP A 91 4.591 3.833 -13.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 4.151 5.762 -8.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 4.479 2.344 -11.414 1.00 0.00 H new ATOM 0 HH2 TRP A 91 4.257 3.304 -9.138 1.00 0.00 H new ATOM 1517 N GLY A 92 6.158 6.718 -17.450 1.00 0.00 N ATOM 1518 CA GLY A 92 6.141 6.435 -18.914 1.00 0.00 C ATOM 1519 C GLY A 92 7.332 5.555 -19.308 1.00 0.00 C ATOM 1520 O GLY A 92 7.187 4.564 -19.996 1.00 0.00 O ATOM 0 H GLY A 92 6.398 7.676 -17.196 1.00 0.00 H new ATOM 0 HA2 GLY A 92 5.209 5.937 -19.183 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.174 7.371 -19.471 1.00 0.00 H new ATOM 1524 N LEU A 93 8.512 5.936 -18.902 1.00 0.00 N ATOM 1525 CA LEU A 93 9.729 5.158 -19.271 1.00 0.00 C ATOM 1526 C LEU A 93 9.663 3.740 -18.676 1.00 0.00 C ATOM 1527 O LEU A 93 10.024 2.777 -19.322 1.00 0.00 O ATOM 1528 CB LEU A 93 10.963 5.923 -18.747 1.00 0.00 C ATOM 1529 CG LEU A 93 12.250 5.516 -19.484 1.00 0.00 C ATOM 1530 CD1 LEU A 93 13.453 5.852 -18.603 1.00 0.00 C ATOM 1531 CD2 LEU A 93 12.237 4.013 -19.774 1.00 0.00 C ATOM 0 H LEU A 93 8.687 6.759 -18.326 1.00 0.00 H new ATOM 0 HA LEU A 93 9.795 5.051 -20.354 1.00 0.00 H new ATOM 0 HB2 LEU A 93 10.802 6.995 -18.864 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.081 5.733 -17.680 1.00 0.00 H new ATOM 0 HG LEU A 93 12.313 6.058 -20.428 1.00 0.00 H new ATOM 0 HD11 LEU A 93 14.371 5.567 -19.117 1.00 0.00 H new ATOM 0 HD12 LEU A 93 13.468 6.923 -18.400 1.00 0.00 H new ATOM 0 HD13 LEU A 93 13.379 5.306 -17.663 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.153 3.735 -20.296 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.173 3.462 -18.836 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.376 3.770 -20.397 1.00 0.00 H new ATOM 1543 N ALA A 94 9.198 3.595 -17.462 1.00 0.00 N ATOM 1544 CA ALA A 94 9.105 2.235 -16.858 1.00 0.00 C ATOM 1545 C ALA A 94 8.047 1.424 -17.610 1.00 0.00 C ATOM 1546 O ALA A 94 8.318 0.354 -18.120 1.00 0.00 O ATOM 1547 CB ALA A 94 8.706 2.356 -15.386 1.00 0.00 C ATOM 0 H ALA A 94 8.880 4.358 -16.865 1.00 0.00 H new ATOM 0 HA ALA A 94 10.071 1.734 -16.929 1.00 0.00 H new ATOM 0 HB1 ALA A 94 8.638 1.362 -14.945 1.00 0.00 H new ATOM 0 HB2 ALA A 94 9.456 2.939 -14.852 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.739 2.853 -15.311 1.00 0.00 H new ATOM 1553 N GLY A 95 6.845 1.930 -17.696 1.00 0.00 N ATOM 1554 CA GLY A 95 5.777 1.194 -18.434 1.00 0.00 C ATOM 1555 C GLY A 95 4.896 0.390 -17.467 1.00 0.00 C ATOM 1556 O GLY A 95 3.927 -0.219 -17.873 1.00 0.00 O ATOM 0 H GLY A 95 6.557 2.819 -17.288 1.00 0.00 H new ATOM 0 HA2 GLY A 95 5.161 1.900 -18.991 1.00 0.00 H new ATOM 0 HA3 GLY A 95 6.230 0.522 -19.163 1.00 0.00 H new ATOM 1560 N LEU A 96 5.214 0.370 -16.199 1.00 0.00 N ATOM 1561 CA LEU A 96 4.379 -0.405 -15.243 1.00 0.00 C ATOM 1562 C LEU A 96 3.661 0.555 -14.289 1.00 0.00 C ATOM 1563 O LEU A 96 4.017 1.709 -14.164 1.00 0.00 O ATOM 1564 CB LEU A 96 5.275 -1.333 -14.432 1.00 0.00 C ATOM 1565 CG LEU A 96 4.516 -2.618 -14.100 1.00 0.00 C ATOM 1566 CD1 LEU A 96 4.566 -3.563 -15.301 1.00 0.00 C ATOM 1567 CD2 LEU A 96 5.165 -3.296 -12.891 1.00 0.00 C ATOM 0 H LEU A 96 6.012 0.855 -15.789 1.00 0.00 H new ATOM 0 HA LEU A 96 3.643 -0.988 -15.797 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.178 -1.567 -14.996 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.592 -0.838 -13.514 1.00 0.00 H new ATOM 0 HG LEU A 96 3.478 -2.378 -13.868 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.025 -4.480 -15.066 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.105 -3.081 -16.163 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.604 -3.803 -15.532 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.624 -4.212 -12.654 1.00 0.00 H new ATOM 0 HD22 LEU A 96 6.203 -3.537 -13.122 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.131 -2.623 -12.035 1.00 0.00 H new ATOM 1579 N ASN A 97 2.649 0.077 -13.616 1.00 0.00 N ATOM 1580 CA ASN A 97 1.896 0.946 -12.667 1.00 0.00 C ATOM 1581 C ASN A 97 1.355 0.098 -11.510 1.00 0.00 C ATOM 1582 O ASN A 97 0.248 0.291 -11.050 1.00 0.00 O ATOM 1583 CB ASN A 97 0.728 1.600 -13.405 1.00 0.00 C ATOM 1584 CG ASN A 97 0.460 2.984 -12.810 1.00 0.00 C ATOM 1585 OD1 ASN A 97 -0.135 3.101 -11.757 1.00 0.00 O ATOM 1586 ND2 ASN A 97 0.876 4.046 -13.445 1.00 0.00 N ATOM 0 H ASN A 97 2.310 -0.883 -13.683 1.00 0.00 H new ATOM 0 HA ASN A 97 2.560 1.714 -12.271 1.00 0.00 H new ATOM 0 HB2 ASN A 97 0.958 1.687 -14.467 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.163 0.978 -13.322 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.702 4.973 -13.057 1.00 0.00 H new ATOM 0 HD22 ASN A 97 1.376 3.949 -14.329 1.00 0.00 H new ATOM 1593 N SER A 98 2.134 -0.836 -11.032 1.00 0.00 N ATOM 1594 CA SER A 98 1.681 -1.696 -9.903 1.00 0.00 C ATOM 1595 C SER A 98 2.812 -1.779 -8.875 1.00 0.00 C ATOM 1596 O SER A 98 3.545 -2.748 -8.829 1.00 0.00 O ATOM 1597 CB SER A 98 1.362 -3.097 -10.425 1.00 0.00 C ATOM 1598 OG SER A 98 0.052 -3.467 -10.024 1.00 0.00 O ATOM 0 H SER A 98 3.071 -1.040 -11.379 1.00 0.00 H new ATOM 0 HA SER A 98 0.787 -1.274 -9.445 1.00 0.00 H new ATOM 0 HB2 SER A 98 1.440 -3.118 -11.512 1.00 0.00 H new ATOM 0 HB3 SER A 98 2.087 -3.814 -10.040 1.00 0.00 H new ATOM 0 HG SER A 98 -0.152 -4.364 -10.361 1.00 0.00 H new ATOM 1604 N CYS A 99 2.987 -0.762 -8.073 1.00 0.00 N ATOM 1605 CA CYS A 99 4.102 -0.782 -7.083 1.00 0.00 C ATOM 1606 C CYS A 99 3.549 -0.635 -5.662 1.00 0.00 C ATOM 1607 O CYS A 99 3.785 0.362 -5.009 1.00 0.00 O ATOM 1608 CB CYS A 99 5.062 0.383 -7.374 1.00 0.00 C ATOM 1609 SG CYS A 99 4.917 0.902 -9.108 1.00 0.00 S ATOM 0 H CYS A 99 2.408 0.078 -8.061 1.00 0.00 H new ATOM 0 HA CYS A 99 4.632 -1.731 -7.164 1.00 0.00 H new ATOM 0 HB2 CYS A 99 4.836 1.222 -6.716 1.00 0.00 H new ATOM 0 HB3 CYS A 99 6.087 0.080 -7.163 1.00 0.00 H new ATOM 1614 N PRO A 100 2.840 -1.642 -5.216 1.00 0.00 N ATOM 1615 CA PRO A 100 2.240 -1.675 -3.847 1.00 0.00 C ATOM 1616 C PRO A 100 3.322 -1.932 -2.792 1.00 0.00 C ATOM 1617 O PRO A 100 4.411 -2.374 -3.103 1.00 0.00 O ATOM 1618 CB PRO A 100 1.260 -2.840 -3.924 1.00 0.00 C ATOM 1619 CG PRO A 100 1.747 -3.748 -5.045 1.00 0.00 C ATOM 1620 CD PRO A 100 2.544 -2.876 -6.016 1.00 0.00 C ATOM 0 HA PRO A 100 1.762 -0.738 -3.561 1.00 0.00 H new ATOM 0 HB2 PRO A 100 1.224 -3.379 -2.977 1.00 0.00 H new ATOM 0 HB3 PRO A 100 0.250 -2.483 -4.126 1.00 0.00 H new ATOM 0 HG2 PRO A 100 2.369 -4.550 -4.648 1.00 0.00 H new ATOM 0 HG3 PRO A 100 0.905 -4.219 -5.552 1.00 0.00 H new ATOM 0 HD2 PRO A 100 3.458 -3.371 -6.343 1.00 0.00 H new ATOM 0 HD3 PRO A 100 1.969 -2.645 -6.913 1.00 0.00 H new ATOM 1628 N VAL A 101 3.034 -1.654 -1.547 1.00 0.00 N ATOM 1629 CA VAL A 101 4.044 -1.875 -0.473 1.00 0.00 C ATOM 1630 C VAL A 101 5.065 -0.737 -0.500 1.00 0.00 C ATOM 1631 O VAL A 101 5.327 -0.152 -1.532 1.00 0.00 O ATOM 1632 CB VAL A 101 4.757 -3.209 -0.703 1.00 0.00 C ATOM 1633 CG1 VAL A 101 5.379 -3.686 0.611 1.00 0.00 C ATOM 1634 CG2 VAL A 101 3.749 -4.249 -1.197 1.00 0.00 C ATOM 0 H VAL A 101 2.139 -1.282 -1.228 1.00 0.00 H new ATOM 0 HA VAL A 101 3.546 -1.897 0.496 1.00 0.00 H new ATOM 0 HB VAL A 101 5.539 -3.079 -1.451 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.887 -4.636 0.449 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.097 -2.946 0.963 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.596 -3.816 1.358 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.257 -5.199 -1.361 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.966 -4.380 -0.450 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.305 -3.909 -2.133 1.00 0.00 H new ATOM 1644 N LYS A 102 5.646 -0.417 0.623 1.00 0.00 N ATOM 1645 CA LYS A 102 6.649 0.684 0.650 1.00 0.00 C ATOM 1646 C LYS A 102 7.925 0.196 1.322 1.00 0.00 C ATOM 1647 O LYS A 102 8.394 0.765 2.286 1.00 0.00 O ATOM 1648 CB LYS A 102 6.083 1.885 1.414 1.00 0.00 C ATOM 1649 CG LYS A 102 5.152 1.389 2.524 1.00 0.00 C ATOM 1650 CD LYS A 102 5.267 2.312 3.739 1.00 0.00 C ATOM 1651 CE LYS A 102 5.429 1.469 5.005 1.00 0.00 C ATOM 1652 NZ LYS A 102 4.627 2.069 6.108 1.00 0.00 N ATOM 0 H LYS A 102 5.470 -0.869 1.521 1.00 0.00 H new ATOM 0 HA LYS A 102 6.876 0.989 -0.371 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.895 2.474 1.841 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.539 2.539 0.733 1.00 0.00 H new ATOM 0 HG2 LYS A 102 4.122 1.368 2.167 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.414 0.368 2.803 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.120 2.980 3.622 1.00 0.00 H new ATOM 0 HD3 LYS A 102 4.379 2.940 3.818 1.00 0.00 H new ATOM 0 HE2 LYS A 102 5.102 0.446 4.818 1.00 0.00 H new ATOM 0 HE3 LYS A 102 6.480 1.420 5.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 4.737 1.496 6.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 4.959 3.037 6.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 3.624 2.093 5.834 1.00 0.00 H new ATOM 1666 N GLU A 103 8.480 -0.852 0.789 1.00 0.00 N ATOM 1667 CA GLU A 103 9.747 -1.434 1.340 1.00 0.00 C ATOM 1668 C GLU A 103 9.832 -1.236 2.857 1.00 0.00 C ATOM 1669 O GLU A 103 10.211 -0.184 3.336 1.00 0.00 O ATOM 1670 CB GLU A 103 10.948 -0.756 0.678 1.00 0.00 C ATOM 1671 CG GLU A 103 12.219 -1.542 1.010 1.00 0.00 C ATOM 1672 CD GLU A 103 12.367 -2.709 0.033 1.00 0.00 C ATOM 1673 OE1 GLU A 103 12.430 -2.455 -1.159 1.00 0.00 O ATOM 1674 OE2 GLU A 103 12.413 -3.837 0.492 1.00 0.00 O ATOM 0 H GLU A 103 8.107 -1.345 -0.022 1.00 0.00 H new ATOM 0 HA GLU A 103 9.752 -2.503 1.129 1.00 0.00 H new ATOM 0 HB2 GLU A 103 10.806 -0.712 -0.402 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.040 0.272 1.030 1.00 0.00 H new ATOM 0 HG2 GLU A 103 13.090 -0.889 0.948 1.00 0.00 H new ATOM 0 HG3 GLU A 103 12.172 -1.914 2.033 1.00 0.00 H new ATOM 1681 N ALA A 104 9.497 -2.240 3.619 1.00 0.00 N ATOM 1682 CA ALA A 104 9.569 -2.108 5.102 1.00 0.00 C ATOM 1683 C ALA A 104 10.986 -1.697 5.518 1.00 0.00 C ATOM 1684 O ALA A 104 11.203 -1.200 6.604 1.00 0.00 O ATOM 1685 CB ALA A 104 9.219 -3.449 5.750 1.00 0.00 C ATOM 0 H ALA A 104 9.176 -3.147 3.279 1.00 0.00 H new ATOM 0 HA ALA A 104 8.862 -1.346 5.430 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.271 -3.354 6.835 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.210 -3.741 5.460 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.926 -4.209 5.418 1.00 0.00 H new ATOM 1691 N ASN A 105 11.952 -1.903 4.663 1.00 0.00 N ATOM 1692 CA ASN A 105 13.353 -1.525 5.016 1.00 0.00 C ATOM 1693 C ASN A 105 13.576 -0.039 4.717 1.00 0.00 C ATOM 1694 O ASN A 105 12.658 0.680 4.376 1.00 0.00 O ATOM 1695 CB ASN A 105 14.331 -2.362 4.192 1.00 0.00 C ATOM 1696 CG ASN A 105 14.127 -3.846 4.508 1.00 0.00 C ATOM 1697 OD1 ASN A 105 13.272 -4.489 3.935 1.00 0.00 O ATOM 1698 ND2 ASN A 105 14.883 -4.419 5.405 1.00 0.00 N ATOM 0 H ASN A 105 11.833 -2.315 3.738 1.00 0.00 H new ATOM 0 HA ASN A 105 13.520 -1.710 6.077 1.00 0.00 H new ATOM 0 HB2 ASN A 105 14.174 -2.181 3.129 1.00 0.00 H new ATOM 0 HB3 ASN A 105 15.356 -2.069 4.418 1.00 0.00 H new ATOM 0 HD21 ASN A 105 14.755 -5.407 5.624 1.00 0.00 H new ATOM 0 HD22 ASN A 105 15.602 -3.879 5.887 1.00 0.00 H new ATOM 1705 N GLN A 106 14.791 0.425 4.841 1.00 0.00 N ATOM 1706 CA GLN A 106 15.071 1.863 4.566 1.00 0.00 C ATOM 1707 C GLN A 106 16.474 2.015 3.970 1.00 0.00 C ATOM 1708 O GLN A 106 17.355 1.217 4.221 1.00 0.00 O ATOM 1709 CB GLN A 106 14.983 2.658 5.870 1.00 0.00 C ATOM 1710 CG GLN A 106 13.690 2.293 6.603 1.00 0.00 C ATOM 1711 CD GLN A 106 13.301 3.429 7.549 1.00 0.00 C ATOM 1712 OE1 GLN A 106 12.186 3.911 7.513 1.00 0.00 O ATOM 1713 NE2 GLN A 106 14.179 3.881 8.401 1.00 0.00 N ATOM 0 H GLN A 106 15.600 -0.129 5.121 1.00 0.00 H new ATOM 0 HA GLN A 106 14.336 2.242 3.856 1.00 0.00 H new ATOM 0 HB2 GLN A 106 15.845 2.440 6.500 1.00 0.00 H new ATOM 0 HB3 GLN A 106 15.005 3.727 5.659 1.00 0.00 H new ATOM 0 HG2 GLN A 106 12.890 2.114 5.884 1.00 0.00 H new ATOM 0 HG3 GLN A 106 13.826 1.369 7.164 1.00 0.00 H new ATOM 0 HE21 GLN A 106 15.115 3.477 8.432 1.00 0.00 H new ATOM 0 HE22 GLN A 106 13.930 4.639 9.037 1.00 0.00 H new ATOM 1722 N SER A 107 16.688 3.036 3.183 1.00 0.00 N ATOM 1723 CA SER A 107 18.033 3.242 2.571 1.00 0.00 C ATOM 1724 C SER A 107 18.307 4.744 2.458 1.00 0.00 C ATOM 1725 O SER A 107 17.548 5.556 2.950 1.00 0.00 O ATOM 1726 CB SER A 107 18.061 2.603 1.180 1.00 0.00 C ATOM 1727 OG SER A 107 17.884 3.608 0.193 1.00 0.00 O ATOM 0 H SER A 107 15.989 3.737 2.937 1.00 0.00 H new ATOM 0 HA SER A 107 18.799 2.779 3.193 1.00 0.00 H new ATOM 0 HB2 SER A 107 19.009 2.088 1.024 1.00 0.00 H new ATOM 0 HB3 SER A 107 17.274 1.854 1.097 1.00 0.00 H new ATOM 0 HG SER A 107 17.903 3.199 -0.697 1.00 0.00 H new ATOM 1733 N THR A 108 19.378 5.130 1.814 1.00 0.00 N ATOM 1734 CA THR A 108 19.670 6.584 1.680 1.00 0.00 C ATOM 1735 C THR A 108 19.425 7.006 0.228 1.00 0.00 C ATOM 1736 O THR A 108 19.805 6.310 -0.690 1.00 0.00 O ATOM 1737 CB THR A 108 21.132 6.845 2.048 1.00 0.00 C ATOM 1738 OG1 THR A 108 21.976 6.255 1.068 1.00 0.00 O ATOM 1739 CG2 THR A 108 21.434 6.235 3.418 1.00 0.00 C ATOM 0 H THR A 108 20.057 4.505 1.379 1.00 0.00 H new ATOM 0 HA THR A 108 19.024 7.156 2.346 1.00 0.00 H new ATOM 0 HB THR A 108 21.311 7.919 2.085 1.00 0.00 H new ATOM 0 HG1 THR A 108 22.913 6.422 1.300 1.00 0.00 H new ATOM 0 HG21 THR A 108 22.476 6.422 3.678 1.00 0.00 H new ATOM 0 HG22 THR A 108 20.786 6.687 4.169 1.00 0.00 H new ATOM 0 HG23 THR A 108 21.256 5.160 3.385 1.00 0.00 H new ATOM 1747 N LEU A 109 18.793 8.128 -0.005 1.00 0.00 N ATOM 1748 CA LEU A 109 18.550 8.542 -1.414 1.00 0.00 C ATOM 1749 C LEU A 109 19.868 8.552 -2.181 1.00 0.00 C ATOM 1750 O LEU A 109 19.895 8.307 -3.362 1.00 0.00 O ATOM 1751 CB LEU A 109 17.930 9.926 -1.484 1.00 0.00 C ATOM 1752 CG LEU A 109 17.434 10.122 -2.916 1.00 0.00 C ATOM 1753 CD1 LEU A 109 16.277 11.103 -2.937 1.00 0.00 C ATOM 1754 CD2 LEU A 109 18.568 10.658 -3.780 1.00 0.00 C ATOM 0 H LEU A 109 18.440 8.765 0.709 1.00 0.00 H new ATOM 0 HA LEU A 109 17.858 7.827 -1.858 1.00 0.00 H new ATOM 0 HB2 LEU A 109 17.107 10.016 -0.775 1.00 0.00 H new ATOM 0 HB3 LEU A 109 18.662 10.690 -1.221 1.00 0.00 H new ATOM 0 HG LEU A 109 17.096 9.163 -3.308 1.00 0.00 H new ATOM 0 HD11 LEU A 109 15.931 11.236 -3.962 1.00 0.00 H new ATOM 0 HD12 LEU A 109 15.461 10.717 -2.326 1.00 0.00 H new ATOM 0 HD13 LEU A 109 16.606 12.063 -2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 109 18.213 10.797 -4.801 1.00 0.00 H new ATOM 0 HD22 LEU A 109 18.909 11.613 -3.381 1.00 0.00 H new ATOM 0 HD23 LEU A 109 19.395 9.948 -3.777 1.00 0.00 H new ATOM 1766 N GLU A 110 20.968 8.826 -1.537 1.00 0.00 N ATOM 1767 CA GLU A 110 22.254 8.826 -2.286 1.00 0.00 C ATOM 1768 C GLU A 110 22.327 7.527 -3.088 1.00 0.00 C ATOM 1769 O GLU A 110 22.687 7.516 -4.248 1.00 0.00 O ATOM 1770 CB GLU A 110 23.429 8.897 -1.302 1.00 0.00 C ATOM 1771 CG GLU A 110 24.718 8.447 -1.996 1.00 0.00 C ATOM 1772 CD GLU A 110 25.924 8.859 -1.148 1.00 0.00 C ATOM 1773 OE1 GLU A 110 25.871 8.664 0.055 1.00 0.00 O ATOM 1774 OE2 GLU A 110 26.878 9.364 -1.716 1.00 0.00 O ATOM 0 H GLU A 110 21.033 9.046 -0.543 1.00 0.00 H new ATOM 0 HA GLU A 110 22.308 9.688 -2.951 1.00 0.00 H new ATOM 0 HB2 GLU A 110 23.542 9.915 -0.930 1.00 0.00 H new ATOM 0 HB3 GLU A 110 23.230 8.263 -0.438 1.00 0.00 H new ATOM 0 HG2 GLU A 110 24.710 7.366 -2.136 1.00 0.00 H new ATOM 0 HG3 GLU A 110 24.786 8.896 -2.987 1.00 0.00 H new ATOM 1781 N ASN A 111 21.969 6.435 -2.474 1.00 0.00 N ATOM 1782 CA ASN A 111 21.993 5.129 -3.187 1.00 0.00 C ATOM 1783 C ASN A 111 20.873 5.089 -4.224 1.00 0.00 C ATOM 1784 O ASN A 111 20.986 4.427 -5.218 1.00 0.00 O ATOM 1785 CB ASN A 111 21.811 3.971 -2.195 1.00 0.00 C ATOM 1786 CG ASN A 111 22.730 2.814 -2.594 1.00 0.00 C ATOM 1787 OD1 ASN A 111 23.008 2.618 -3.760 1.00 0.00 O ATOM 1788 ND2 ASN A 111 23.215 2.033 -1.669 1.00 0.00 N ATOM 0 H ASN A 111 21.659 6.391 -1.503 1.00 0.00 H new ATOM 0 HA ASN A 111 22.958 5.021 -3.683 1.00 0.00 H new ATOM 0 HB2 ASN A 111 22.044 4.303 -1.183 1.00 0.00 H new ATOM 0 HB3 ASN A 111 20.772 3.641 -2.191 1.00 0.00 H new ATOM 0 HD21 ASN A 111 23.827 1.258 -1.925 1.00 0.00 H new ATOM 0 HD22 ASN A 111 22.982 2.197 -0.690 1.00 0.00 H new ATOM 1795 N PHE A 112 19.788 5.771 -4.002 1.00 0.00 N ATOM 1796 CA PHE A 112 18.686 5.743 -5.006 1.00 0.00 C ATOM 1797 C PHE A 112 19.145 6.442 -6.283 1.00 0.00 C ATOM 1798 O PHE A 112 18.885 5.985 -7.367 1.00 0.00 O ATOM 1799 CB PHE A 112 17.467 6.479 -4.441 1.00 0.00 C ATOM 1800 CG PHE A 112 16.283 6.246 -5.345 1.00 0.00 C ATOM 1801 CD1 PHE A 112 15.512 5.089 -5.205 1.00 0.00 C ATOM 1802 CD2 PHE A 112 15.962 7.185 -6.331 1.00 0.00 C ATOM 1803 CE1 PHE A 112 14.422 4.871 -6.049 1.00 0.00 C ATOM 1804 CE2 PHE A 112 14.870 6.966 -7.175 1.00 0.00 C ATOM 1805 CZ PHE A 112 14.099 5.809 -7.035 1.00 0.00 C ATOM 0 H PHE A 112 19.614 6.344 -3.176 1.00 0.00 H new ATOM 0 HA PHE A 112 18.422 4.709 -5.228 1.00 0.00 H new ATOM 0 HB2 PHE A 112 17.247 6.123 -3.435 1.00 0.00 H new ATOM 0 HB3 PHE A 112 17.676 7.546 -4.363 1.00 0.00 H new ATOM 0 HD1 PHE A 112 15.759 4.364 -4.444 1.00 0.00 H new ATOM 0 HD2 PHE A 112 16.558 8.079 -6.440 1.00 0.00 H new ATOM 0 HE1 PHE A 112 13.827 3.976 -5.941 1.00 0.00 H new ATOM 0 HE2 PHE A 112 14.622 7.691 -7.936 1.00 0.00 H new ATOM 0 HZ PHE A 112 13.255 5.639 -7.687 1.00 0.00 H new ATOM 1815 N LEU A 113 19.820 7.543 -6.179 1.00 0.00 N ATOM 1816 CA LEU A 113 20.288 8.222 -7.411 1.00 0.00 C ATOM 1817 C LEU A 113 21.419 7.386 -8.026 1.00 0.00 C ATOM 1818 O LEU A 113 21.588 7.347 -9.229 1.00 0.00 O ATOM 1819 CB LEU A 113 20.786 9.630 -7.070 1.00 0.00 C ATOM 1820 CG LEU A 113 19.587 10.553 -6.816 1.00 0.00 C ATOM 1821 CD1 LEU A 113 20.076 11.859 -6.186 1.00 0.00 C ATOM 1822 CD2 LEU A 113 18.891 10.859 -8.144 1.00 0.00 C ATOM 0 H LEU A 113 20.068 8.001 -5.302 1.00 0.00 H new ATOM 0 HA LEU A 113 19.471 8.313 -8.126 1.00 0.00 H new ATOM 0 HB2 LEU A 113 21.425 9.597 -6.188 1.00 0.00 H new ATOM 0 HB3 LEU A 113 21.391 10.020 -7.888 1.00 0.00 H new ATOM 0 HG LEU A 113 18.886 10.063 -6.141 1.00 0.00 H new ATOM 0 HD11 LEU A 113 19.226 12.516 -6.005 1.00 0.00 H new ATOM 0 HD12 LEU A 113 20.575 11.643 -5.242 1.00 0.00 H new ATOM 0 HD13 LEU A 113 20.776 12.350 -6.862 1.00 0.00 H new ATOM 0 HD21 LEU A 113 18.039 11.515 -7.966 1.00 0.00 H new ATOM 0 HD22 LEU A 113 19.593 11.351 -8.818 1.00 0.00 H new ATOM 0 HD23 LEU A 113 18.545 9.929 -8.596 1.00 0.00 H new ATOM 1834 N GLU A 114 22.191 6.703 -7.206 1.00 0.00 N ATOM 1835 CA GLU A 114 23.297 5.862 -7.744 1.00 0.00 C ATOM 1836 C GLU A 114 22.709 4.638 -8.453 1.00 0.00 C ATOM 1837 O GLU A 114 23.099 4.273 -9.544 1.00 0.00 O ATOM 1838 CB GLU A 114 24.159 5.396 -6.572 1.00 0.00 C ATOM 1839 CG GLU A 114 25.631 5.353 -6.979 1.00 0.00 C ATOM 1840 CD GLU A 114 25.770 4.694 -8.352 1.00 0.00 C ATOM 1841 OE1 GLU A 114 25.823 3.476 -8.400 1.00 0.00 O ATOM 1842 OE2 GLU A 114 25.823 5.418 -9.332 1.00 0.00 O ATOM 0 H GLU A 114 22.097 6.697 -6.190 1.00 0.00 H new ATOM 0 HA GLU A 114 23.895 6.436 -8.452 1.00 0.00 H new ATOM 0 HB2 GLU A 114 24.029 6.070 -5.725 1.00 0.00 H new ATOM 0 HB3 GLU A 114 23.836 4.408 -6.245 1.00 0.00 H new ATOM 0 HG2 GLU A 114 26.040 6.363 -7.007 1.00 0.00 H new ATOM 0 HG3 GLU A 114 26.206 4.797 -6.239 1.00 0.00 H new ATOM 1849 N ARG A 115 21.780 4.006 -7.803 1.00 0.00 N ATOM 1850 CA ARG A 115 21.122 2.786 -8.343 1.00 0.00 C ATOM 1851 C ARG A 115 20.219 3.148 -9.522 1.00 0.00 C ATOM 1852 O ARG A 115 20.307 2.576 -10.588 1.00 0.00 O ATOM 1853 CB ARG A 115 20.261 2.194 -7.220 1.00 0.00 C ATOM 1854 CG ARG A 115 20.537 0.694 -7.091 1.00 0.00 C ATOM 1855 CD ARG A 115 22.044 0.455 -6.977 1.00 0.00 C ATOM 1856 NE ARG A 115 22.288 -0.836 -6.271 1.00 0.00 N ATOM 1857 CZ ARG A 115 22.789 -0.837 -5.066 1.00 0.00 C ATOM 1858 NH1 ARG A 115 22.020 -0.598 -4.038 1.00 0.00 N ATOM 1859 NH2 ARG A 115 24.059 -1.079 -4.886 1.00 0.00 N ATOM 0 H ARG A 115 21.436 4.294 -6.887 1.00 0.00 H new ATOM 0 HA ARG A 115 21.874 2.075 -8.686 1.00 0.00 H new ATOM 0 HB2 ARG A 115 20.481 2.696 -6.278 1.00 0.00 H new ATOM 0 HB3 ARG A 115 19.205 2.362 -7.432 1.00 0.00 H new ATOM 0 HG2 ARG A 115 20.028 0.295 -6.213 1.00 0.00 H new ATOM 0 HG3 ARG A 115 20.140 0.165 -7.958 1.00 0.00 H new ATOM 0 HD2 ARG A 115 22.496 0.431 -7.969 1.00 0.00 H new ATOM 0 HD3 ARG A 115 22.513 1.274 -6.433 1.00 0.00 H new ATOM 0 HE ARG A 115 22.063 -1.719 -6.730 1.00 0.00 H new ATOM 0 HH11 ARG A 115 21.027 -0.410 -4.177 1.00 0.00 H new ATOM 0 HH12 ARG A 115 22.412 -0.599 -3.096 1.00 0.00 H new ATOM 0 HH21 ARG A 115 24.661 -1.268 -5.688 1.00 0.00 H new ATOM 0 HH22 ARG A 115 24.450 -1.080 -3.944 1.00 0.00 H new ATOM 1873 N LEU A 116 19.359 4.098 -9.322 1.00 0.00 N ATOM 1874 CA LEU A 116 18.426 4.533 -10.397 1.00 0.00 C ATOM 1875 C LEU A 116 19.231 4.983 -11.627 1.00 0.00 C ATOM 1876 O LEU A 116 18.917 4.615 -12.742 1.00 0.00 O ATOM 1877 CB LEU A 116 17.594 5.709 -9.879 1.00 0.00 C ATOM 1878 CG LEU A 116 16.571 6.122 -10.941 1.00 0.00 C ATOM 1879 CD1 LEU A 116 15.160 5.812 -10.437 1.00 0.00 C ATOM 1880 CD2 LEU A 116 16.695 7.621 -11.212 1.00 0.00 C ATOM 0 H LEU A 116 19.259 4.604 -8.442 1.00 0.00 H new ATOM 0 HA LEU A 116 17.773 3.706 -10.677 1.00 0.00 H new ATOM 0 HB2 LEU A 116 17.084 5.428 -8.958 1.00 0.00 H new ATOM 0 HB3 LEU A 116 18.244 6.550 -9.640 1.00 0.00 H new ATOM 0 HG LEU A 116 16.759 5.569 -11.861 1.00 0.00 H new ATOM 0 HD11 LEU A 116 14.431 6.106 -11.192 1.00 0.00 H new ATOM 0 HD12 LEU A 116 15.070 4.743 -10.242 1.00 0.00 H new ATOM 0 HD13 LEU A 116 14.972 6.366 -9.517 1.00 0.00 H new ATOM 0 HD21 LEU A 116 15.967 7.916 -11.968 1.00 0.00 H new ATOM 0 HD22 LEU A 116 16.506 8.174 -10.292 1.00 0.00 H new ATOM 0 HD23 LEU A 116 17.700 7.844 -11.570 1.00 0.00 H new ATOM 1892 N LYS A 117 20.266 5.782 -11.448 1.00 0.00 N ATOM 1893 CA LYS A 117 21.054 6.237 -12.630 1.00 0.00 C ATOM 1894 C LYS A 117 21.744 5.040 -13.291 1.00 0.00 C ATOM 1895 O LYS A 117 21.990 5.034 -14.482 1.00 0.00 O ATOM 1896 CB LYS A 117 22.111 7.246 -12.178 1.00 0.00 C ATOM 1897 CG LYS A 117 22.958 7.672 -13.378 1.00 0.00 C ATOM 1898 CD LYS A 117 23.921 8.782 -12.956 1.00 0.00 C ATOM 1899 CE LYS A 117 24.995 8.963 -14.030 1.00 0.00 C ATOM 1900 NZ LYS A 117 26.338 9.007 -13.386 1.00 0.00 N ATOM 0 H LYS A 117 20.589 6.130 -10.545 1.00 0.00 H new ATOM 0 HA LYS A 117 20.382 6.705 -13.349 1.00 0.00 H new ATOM 0 HB2 LYS A 117 21.630 8.117 -11.732 1.00 0.00 H new ATOM 0 HB3 LYS A 117 22.746 6.804 -11.410 1.00 0.00 H new ATOM 0 HG2 LYS A 117 23.516 6.819 -13.763 1.00 0.00 H new ATOM 0 HG3 LYS A 117 22.314 8.022 -14.185 1.00 0.00 H new ATOM 0 HD2 LYS A 117 23.376 9.715 -12.811 1.00 0.00 H new ATOM 0 HD3 LYS A 117 24.385 8.532 -12.002 1.00 0.00 H new ATOM 0 HE2 LYS A 117 24.950 8.143 -14.746 1.00 0.00 H new ATOM 0 HE3 LYS A 117 24.816 9.883 -14.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 27.069 9.130 -14.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 26.377 9.804 -12.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 26.507 8.118 -12.874 1.00 0.00 H new ATOM 1914 N THR A 118 22.073 4.033 -12.530 1.00 0.00 N ATOM 1915 CA THR A 118 22.766 2.848 -13.113 1.00 0.00 C ATOM 1916 C THR A 118 21.843 2.093 -14.078 1.00 0.00 C ATOM 1917 O THR A 118 22.267 1.640 -15.120 1.00 0.00 O ATOM 1918 CB THR A 118 23.194 1.906 -11.986 1.00 0.00 C ATOM 1919 OG1 THR A 118 23.907 2.641 -11.001 1.00 0.00 O ATOM 1920 CG2 THR A 118 24.091 0.804 -12.552 1.00 0.00 C ATOM 0 H THR A 118 21.892 3.979 -11.528 1.00 0.00 H new ATOM 0 HA THR A 118 23.639 3.196 -13.666 1.00 0.00 H new ATOM 0 HB THR A 118 22.310 1.455 -11.534 1.00 0.00 H new ATOM 0 HG1 THR A 118 23.275 3.021 -10.355 1.00 0.00 H new ATOM 0 HG21 THR A 118 24.395 0.134 -11.748 1.00 0.00 H new ATOM 0 HG22 THR A 118 23.543 0.240 -13.307 1.00 0.00 H new ATOM 0 HG23 THR A 118 24.975 1.252 -13.005 1.00 0.00 H new ATOM 1928 N ILE A 119 20.591 1.931 -13.738 1.00 0.00 N ATOM 1929 CA ILE A 119 19.674 1.179 -14.645 1.00 0.00 C ATOM 1930 C ILE A 119 19.450 1.946 -15.946 1.00 0.00 C ATOM 1931 O ILE A 119 19.577 1.401 -17.018 1.00 0.00 O ATOM 1932 CB ILE A 119 18.338 0.966 -13.966 1.00 0.00 C ATOM 1933 CG1 ILE A 119 18.537 0.175 -12.676 1.00 0.00 C ATOM 1934 CG2 ILE A 119 17.404 0.197 -14.901 1.00 0.00 C ATOM 1935 CD1 ILE A 119 18.402 1.125 -11.491 1.00 0.00 C ATOM 0 H ILE A 119 20.167 2.283 -12.880 1.00 0.00 H new ATOM 0 HA ILE A 119 20.135 0.218 -14.872 1.00 0.00 H new ATOM 0 HB ILE A 119 17.896 1.934 -13.730 1.00 0.00 H new ATOM 0 HG12 ILE A 119 17.799 -0.624 -12.605 1.00 0.00 H new ATOM 0 HG13 ILE A 119 19.519 -0.298 -12.671 1.00 0.00 H new ATOM 0 HG21 ILE A 119 16.443 0.045 -14.410 1.00 0.00 H new ATOM 0 HG22 ILE A 119 17.257 0.767 -15.818 1.00 0.00 H new ATOM 0 HG23 ILE A 119 17.846 -0.770 -15.142 1.00 0.00 H new ATOM 0 HD11 ILE A 119 18.542 0.571 -10.563 1.00 0.00 H new ATOM 0 HD12 ILE A 119 19.157 1.908 -11.564 1.00 0.00 H new ATOM 0 HD13 ILE A 119 17.410 1.576 -11.498 1.00 0.00 H new ATOM 1947 N MET A 120 19.104 3.199 -15.865 1.00 0.00 N ATOM 1948 CA MET A 120 18.854 3.990 -17.107 1.00 0.00 C ATOM 1949 C MET A 120 20.012 3.832 -18.079 1.00 0.00 C ATOM 1950 O MET A 120 19.821 3.802 -19.272 1.00 0.00 O ATOM 1951 CB MET A 120 18.700 5.462 -16.745 1.00 0.00 C ATOM 1952 CG MET A 120 17.290 5.705 -16.206 1.00 0.00 C ATOM 1953 SD MET A 120 17.380 6.484 -14.578 1.00 0.00 S ATOM 1954 CE MET A 120 15.643 6.246 -14.129 1.00 0.00 C ATOM 0 H MET A 120 18.983 3.713 -14.992 1.00 0.00 H new ATOM 0 HA MET A 120 17.943 3.624 -17.580 1.00 0.00 H new ATOM 0 HB2 MET A 120 19.441 5.744 -15.997 1.00 0.00 H new ATOM 0 HB3 MET A 120 18.879 6.085 -17.622 1.00 0.00 H new ATOM 0 HG2 MET A 120 16.733 6.342 -16.893 1.00 0.00 H new ATOM 0 HG3 MET A 120 16.750 4.761 -16.138 1.00 0.00 H new ATOM 0 HE1 MET A 120 15.234 7.182 -13.749 1.00 0.00 H new ATOM 0 HE2 MET A 120 15.079 5.934 -15.008 1.00 0.00 H new ATOM 0 HE3 MET A 120 15.568 5.478 -13.359 1.00 0.00 H new ATOM 1964 N ARG A 121 21.206 3.736 -17.597 1.00 0.00 N ATOM 1965 CA ARG A 121 22.349 3.573 -18.532 1.00 0.00 C ATOM 1966 C ARG A 121 22.199 2.238 -19.261 1.00 0.00 C ATOM 1967 O ARG A 121 22.463 2.124 -20.440 1.00 0.00 O ATOM 1968 CB ARG A 121 23.657 3.574 -17.745 1.00 0.00 C ATOM 1969 CG ARG A 121 24.574 4.678 -18.274 1.00 0.00 C ATOM 1970 CD ARG A 121 23.863 6.029 -18.163 1.00 0.00 C ATOM 1971 NE ARG A 121 23.589 6.561 -19.527 1.00 0.00 N ATOM 1972 CZ ARG A 121 24.577 6.797 -20.346 1.00 0.00 C ATOM 1973 NH1 ARG A 121 25.471 7.698 -20.047 1.00 0.00 N ATOM 1974 NH2 ARG A 121 24.671 6.130 -21.465 1.00 0.00 N ATOM 0 H ARG A 121 21.446 3.762 -16.606 1.00 0.00 H new ATOM 0 HA ARG A 121 22.360 4.393 -19.250 1.00 0.00 H new ATOM 0 HB2 ARG A 121 23.455 3.732 -16.685 1.00 0.00 H new ATOM 0 HB3 ARG A 121 24.148 2.605 -17.835 1.00 0.00 H new ATOM 0 HG2 ARG A 121 25.504 4.697 -17.706 1.00 0.00 H new ATOM 0 HG3 ARG A 121 24.839 4.479 -19.312 1.00 0.00 H new ATOM 0 HD2 ARG A 121 22.930 5.916 -17.611 1.00 0.00 H new ATOM 0 HD3 ARG A 121 24.481 6.732 -17.604 1.00 0.00 H new ATOM 0 HE ARG A 121 22.629 6.741 -19.821 1.00 0.00 H new ATOM 0 HH11 ARG A 121 25.398 8.218 -19.173 1.00 0.00 H new ATOM 0 HH12 ARG A 121 26.243 7.882 -20.687 1.00 0.00 H new ATOM 0 HH21 ARG A 121 23.972 5.425 -21.699 1.00 0.00 H new ATOM 0 HH22 ARG A 121 25.443 6.314 -22.105 1.00 0.00 H new ATOM 1988 N GLU A 122 21.783 1.223 -18.554 1.00 0.00 N ATOM 1989 CA GLU A 122 21.617 -0.121 -19.184 1.00 0.00 C ATOM 1990 C GLU A 122 20.418 -0.132 -20.152 1.00 0.00 C ATOM 1991 O GLU A 122 20.492 -0.713 -21.215 1.00 0.00 O ATOM 1992 CB GLU A 122 21.406 -1.193 -18.097 1.00 0.00 C ATOM 1993 CG GLU A 122 22.641 -1.307 -17.185 1.00 0.00 C ATOM 1994 CD GLU A 122 22.214 -1.873 -15.828 1.00 0.00 C ATOM 1995 OE1 GLU A 122 21.023 -1.895 -15.568 1.00 0.00 O ATOM 1996 OE2 GLU A 122 23.086 -2.276 -15.076 1.00 0.00 O ATOM 0 H GLU A 122 21.549 1.266 -17.562 1.00 0.00 H new ATOM 0 HA GLU A 122 22.524 -0.343 -19.747 1.00 0.00 H new ATOM 0 HB2 GLU A 122 20.530 -0.942 -17.499 1.00 0.00 H new ATOM 0 HB3 GLU A 122 21.206 -2.156 -18.566 1.00 0.00 H new ATOM 0 HG2 GLU A 122 23.388 -1.955 -17.644 1.00 0.00 H new ATOM 0 HG3 GLU A 122 23.104 -0.329 -17.055 1.00 0.00 H new ATOM 2003 N LYS A 123 19.312 0.487 -19.808 1.00 0.00 N ATOM 2004 CA LYS A 123 18.146 0.470 -20.740 1.00 0.00 C ATOM 2005 C LYS A 123 18.461 1.340 -21.953 1.00 0.00 C ATOM 2006 O LYS A 123 18.122 1.023 -23.075 1.00 0.00 O ATOM 2007 CB LYS A 123 16.911 1.017 -20.024 1.00 0.00 C ATOM 2008 CG LYS A 123 15.715 0.103 -20.302 1.00 0.00 C ATOM 2009 CD LYS A 123 14.958 -0.162 -18.998 1.00 0.00 C ATOM 2010 CE LYS A 123 13.539 -0.632 -19.319 1.00 0.00 C ATOM 2011 NZ LYS A 123 13.049 -1.516 -18.223 1.00 0.00 N ATOM 0 H LYS A 123 19.170 0.995 -18.935 1.00 0.00 H new ATOM 0 HA LYS A 123 17.950 -0.552 -21.064 1.00 0.00 H new ATOM 0 HB2 LYS A 123 17.096 1.076 -18.951 1.00 0.00 H new ATOM 0 HB3 LYS A 123 16.697 2.029 -20.367 1.00 0.00 H new ATOM 0 HG2 LYS A 123 15.052 0.567 -21.032 1.00 0.00 H new ATOM 0 HG3 LYS A 123 16.056 -0.838 -20.734 1.00 0.00 H new ATOM 0 HD2 LYS A 123 15.479 -0.918 -18.410 1.00 0.00 H new ATOM 0 HD3 LYS A 123 14.924 0.745 -18.394 1.00 0.00 H new ATOM 0 HE2 LYS A 123 12.877 0.226 -19.432 1.00 0.00 H new ATOM 0 HE3 LYS A 123 13.528 -1.170 -20.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 12.084 -1.836 -18.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 13.676 -2.341 -18.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 13.045 -0.988 -17.327 1.00 0.00 H new ATOM 2025 N TYR A 124 19.107 2.442 -21.719 1.00 0.00 N ATOM 2026 CA TYR A 124 19.461 3.371 -22.823 1.00 0.00 C ATOM 2027 C TYR A 124 20.549 2.744 -23.698 1.00 0.00 C ATOM 2028 O TYR A 124 20.618 2.986 -24.887 1.00 0.00 O ATOM 2029 CB TYR A 124 19.965 4.687 -22.219 1.00 0.00 C ATOM 2030 CG TYR A 124 20.244 5.684 -23.316 1.00 0.00 C ATOM 2031 CD1 TYR A 124 19.562 5.601 -24.537 1.00 0.00 C ATOM 2032 CD2 TYR A 124 21.192 6.690 -23.110 1.00 0.00 C ATOM 2033 CE1 TYR A 124 19.834 6.525 -25.553 1.00 0.00 C ATOM 2034 CE2 TYR A 124 21.462 7.617 -24.124 1.00 0.00 C ATOM 2035 CZ TYR A 124 20.785 7.532 -25.347 1.00 0.00 C ATOM 2036 OH TYR A 124 21.052 8.443 -26.348 1.00 0.00 O ATOM 0 H TYR A 124 19.410 2.744 -20.793 1.00 0.00 H new ATOM 0 HA TYR A 124 18.584 3.564 -23.441 1.00 0.00 H new ATOM 0 HB2 TYR A 124 19.221 5.089 -21.531 1.00 0.00 H new ATOM 0 HB3 TYR A 124 20.871 4.508 -21.640 1.00 0.00 H new ATOM 0 HD1 TYR A 124 18.827 4.825 -24.694 1.00 0.00 H new ATOM 0 HD2 TYR A 124 21.717 6.752 -22.168 1.00 0.00 H new ATOM 0 HE1 TYR A 124 19.310 6.461 -26.495 1.00 0.00 H new ATOM 0 HE2 TYR A 124 22.192 8.397 -23.963 1.00 0.00 H new ATOM 0 HH TYR A 124 21.736 9.075 -26.042 1.00 0.00 H new ATOM 2046 N SER A 125 21.397 1.937 -23.122 1.00 0.00 N ATOM 2047 CA SER A 125 22.476 1.296 -23.925 1.00 0.00 C ATOM 2048 C SER A 125 21.963 -0.021 -24.514 1.00 0.00 C ATOM 2049 O SER A 125 22.730 -0.869 -24.923 1.00 0.00 O ATOM 2050 CB SER A 125 23.678 1.010 -23.022 1.00 0.00 C ATOM 2051 OG SER A 125 24.677 1.996 -23.237 1.00 0.00 O ATOM 0 H SER A 125 21.389 1.694 -22.131 1.00 0.00 H new ATOM 0 HA SER A 125 22.773 1.965 -24.733 1.00 0.00 H new ATOM 0 HB2 SER A 125 23.369 1.012 -21.977 1.00 0.00 H new ATOM 0 HB3 SER A 125 24.078 0.019 -23.235 1.00 0.00 H new ATOM 0 HG SER A 125 25.446 1.814 -22.658 1.00 0.00 H new ATOM 2057 N LYS A 126 20.669 -0.200 -24.563 1.00 0.00 N ATOM 2058 CA LYS A 126 20.113 -1.463 -25.126 1.00 0.00 C ATOM 2059 C LYS A 126 19.291 -1.147 -26.377 1.00 0.00 C ATOM 2060 O LYS A 126 18.179 -1.613 -26.536 1.00 0.00 O ATOM 2061 CB LYS A 126 19.217 -2.134 -24.082 1.00 0.00 C ATOM 2062 CG LYS A 126 18.802 -3.520 -24.579 1.00 0.00 C ATOM 2063 CD LYS A 126 18.417 -4.394 -23.386 1.00 0.00 C ATOM 2064 CE LYS A 126 18.528 -5.869 -23.775 1.00 0.00 C ATOM 2065 NZ LYS A 126 17.321 -6.602 -23.300 1.00 0.00 N ATOM 0 H LYS A 126 19.975 0.473 -24.238 1.00 0.00 H new ATOM 0 HA LYS A 126 20.930 -2.134 -25.390 1.00 0.00 H new ATOM 0 HB2 LYS A 126 19.747 -2.220 -23.134 1.00 0.00 H new ATOM 0 HB3 LYS A 126 18.334 -1.522 -23.899 1.00 0.00 H new ATOM 0 HG2 LYS A 126 17.961 -3.435 -25.267 1.00 0.00 H new ATOM 0 HG3 LYS A 126 19.621 -3.980 -25.132 1.00 0.00 H new ATOM 0 HD2 LYS A 126 19.070 -4.180 -22.540 1.00 0.00 H new ATOM 0 HD3 LYS A 126 17.399 -4.167 -23.069 1.00 0.00 H new ATOM 0 HE2 LYS A 126 18.622 -5.964 -24.857 1.00 0.00 H new ATOM 0 HE3 LYS A 126 19.426 -6.305 -23.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 17.397 -7.605 -23.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 17.251 -6.522 -22.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 16.471 -6.192 -23.738 1.00 0.00 H new