USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 814 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 1 ARG N :NH3+ -114:sc= -0.0222 (180deg=-0.787) USER MOD Set 1.2: A 2 LYS NZ :NH3+ -155:sc= -0.0344 (180deg=0.00034) USER MOD Single : A 6 THR OG1 : rot 23:sc= -0.228! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= -0.361 X(o=-0.36,f=-0.11) USER MOD Single : A 13 HIS : no HD1:sc= -0.0146 X(o=-0.015,f=0) USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 16 MET CE :methyl -115:sc= 0 (180deg=-0.507) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot 43:sc= 0.417 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -2.92! C(o=-2.9!,f=-3.9!) USER MOD Single : A 31 ASN : amide:sc= -4.11! C(o=-4.1!,f=-7.5!) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.623 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.168 K(o=-0.17,f=-1.3) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HE2:sc= -1.28 X(o=-1.3,f=-1.6) USER MOD Single : A 58 GLN : amide:sc=-0.00126 K(o=-0.0013,f=-0.63) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.0104 X(o=-0.01,f=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.378 X(o=-0.38,f=-0.14) USER MOD Single : A 67 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.0023) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0104) USER MOD Single : A 73 MET CE :methyl -151:sc= -0.0562 (180deg=-0.596) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.149 K(o=-0.15,f=-1.7!) USER MOD Single : A 81 GLN : amide:sc= -0.262 K(o=-0.26,f=-2.3!) USER MOD Single : A 83 ASN :FLIP amide:sc= -0.474 F(o=-1.2!,f=-0.47) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 44:sc= 0.782 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 88.764 -0.141 23.561 1.00 0.00 N ATOM 2 CA ARG A 1 87.441 -0.352 24.123 1.00 0.00 C ATOM 3 C ARG A 1 86.424 0.573 23.451 1.00 0.00 C ATOM 4 O ARG A 1 86.801 1.538 22.788 1.00 0.00 O ATOM 5 CB ARG A 1 87.435 -0.095 25.631 1.00 0.00 C ATOM 6 CG ARG A 1 87.769 1.366 25.939 1.00 0.00 C ATOM 7 CD ARG A 1 88.568 1.483 27.238 1.00 0.00 C ATOM 8 NE ARG A 1 89.993 1.743 26.934 1.00 0.00 N ATOM 9 CZ ARG A 1 90.490 2.958 26.619 1.00 0.00 C ATOM 10 NH1 ARG A 1 89.680 4.037 26.564 1.00 0.00 N ATOM 11 NH2 ARG A 1 91.780 3.076 26.366 1.00 0.00 N ATOM 0 H1 ARG A 1 89.066 -0.997 23.053 1.00 0.00 H new ATOM 0 H2 ARG A 1 88.737 0.662 22.901 1.00 0.00 H new ATOM 0 H3 ARG A 1 89.438 0.063 24.326 1.00 0.00 H new ATOM 0 HA ARG A 1 87.167 -1.391 23.942 1.00 0.00 H new ATOM 0 HB2 ARG A 1 86.456 -0.343 26.042 1.00 0.00 H new ATOM 0 HB3 ARG A 1 88.159 -0.748 26.118 1.00 0.00 H new ATOM 0 HG2 ARG A 1 88.342 1.793 25.116 1.00 0.00 H new ATOM 0 HG3 ARG A 1 86.848 1.944 26.021 1.00 0.00 H new ATOM 0 HD2 ARG A 1 88.165 2.289 27.851 1.00 0.00 H new ATOM 0 HD3 ARG A 1 88.473 0.565 27.817 1.00 0.00 H new ATOM 0 HE ARG A 1 90.640 0.955 26.964 1.00 0.00 H new ATOM 0 HH11 ARG A 1 88.684 3.938 26.761 1.00 0.00 H new ATOM 0 HH12 ARG A 1 90.064 4.951 26.325 1.00 0.00 H new ATOM 0 HH21 ARG A 1 92.385 2.256 26.410 1.00 0.00 H new ATOM 0 HH22 ARG A 1 92.171 3.987 26.126 1.00 0.00 H new ATOM 24 N LYS A 2 85.155 0.246 23.646 1.00 0.00 N ATOM 25 CA LYS A 2 84.082 1.036 23.067 1.00 0.00 C ATOM 26 C LYS A 2 82.815 0.861 23.907 1.00 0.00 C ATOM 27 O LYS A 2 82.619 -0.181 24.531 1.00 0.00 O ATOM 28 CB LYS A 2 83.893 0.683 21.590 1.00 0.00 C ATOM 29 CG LYS A 2 84.813 1.525 20.704 1.00 0.00 C ATOM 30 CD LYS A 2 85.859 0.649 20.011 1.00 0.00 C ATOM 31 CE LYS A 2 87.198 1.381 19.898 1.00 0.00 C ATOM 32 NZ LYS A 2 88.306 0.504 20.337 1.00 0.00 N ATOM 0 H LYS A 2 84.846 -0.555 24.197 1.00 0.00 H new ATOM 0 HA LYS A 2 84.336 2.096 23.088 1.00 0.00 H new ATOM 0 HB2 LYS A 2 84.102 -0.376 21.436 1.00 0.00 H new ATOM 0 HB3 LYS A 2 82.855 0.848 21.303 1.00 0.00 H new ATOM 0 HG2 LYS A 2 84.221 2.052 19.956 1.00 0.00 H new ATOM 0 HG3 LYS A 2 85.311 2.284 21.308 1.00 0.00 H new ATOM 0 HD2 LYS A 2 85.992 -0.277 20.571 1.00 0.00 H new ATOM 0 HD3 LYS A 2 85.507 0.372 19.017 1.00 0.00 H new ATOM 0 HE2 LYS A 2 87.362 1.695 18.867 1.00 0.00 H new ATOM 0 HE3 LYS A 2 87.178 2.284 20.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 89.104 1.088 20.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 87.981 -0.101 21.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 88.612 -0.092 19.542 1.00 0.00 H new ATOM 45 N LEU A 3 81.988 1.896 23.896 1.00 0.00 N ATOM 46 CA LEU A 3 80.746 1.870 24.650 1.00 0.00 C ATOM 47 C LEU A 3 79.565 1.856 23.677 1.00 0.00 C ATOM 48 O LEU A 3 79.608 2.506 22.634 1.00 0.00 O ATOM 49 CB LEU A 3 80.704 3.024 25.653 1.00 0.00 C ATOM 50 CG LEU A 3 81.139 2.688 27.081 1.00 0.00 C ATOM 51 CD1 LEU A 3 80.331 1.515 27.639 1.00 0.00 C ATOM 52 CD2 LEU A 3 82.645 2.431 27.148 1.00 0.00 C ATOM 0 H LEU A 3 82.154 2.758 23.377 1.00 0.00 H new ATOM 0 HA LEU A 3 80.680 0.959 25.245 1.00 0.00 H new ATOM 0 HB2 LEU A 3 81.340 3.827 25.280 1.00 0.00 H new ATOM 0 HB3 LEU A 3 79.686 3.413 25.686 1.00 0.00 H new ATOM 0 HG LEU A 3 80.931 3.551 27.714 1.00 0.00 H new ATOM 0 HD11 LEU A 3 80.660 1.297 28.655 1.00 0.00 H new ATOM 0 HD12 LEU A 3 79.272 1.774 27.648 1.00 0.00 H new ATOM 0 HD13 LEU A 3 80.484 0.637 27.012 1.00 0.00 H new ATOM 0 HD21 LEU A 3 82.928 2.194 28.174 1.00 0.00 H new ATOM 0 HD22 LEU A 3 82.900 1.594 26.499 1.00 0.00 H new ATOM 0 HD23 LEU A 3 83.181 3.321 26.820 1.00 0.00 H new ATOM 64 N GLU A 4 78.538 1.109 24.055 1.00 0.00 N ATOM 65 CA GLU A 4 77.347 1.002 23.229 1.00 0.00 C ATOM 66 C GLU A 4 76.098 0.911 24.108 1.00 0.00 C ATOM 67 O GLU A 4 76.200 0.758 25.324 1.00 0.00 O ATOM 68 CB GLU A 4 77.441 -0.197 22.284 1.00 0.00 C ATOM 69 CG GLU A 4 78.477 0.051 21.185 1.00 0.00 C ATOM 70 CD GLU A 4 79.812 -0.612 21.531 1.00 0.00 C ATOM 71 OE1 GLU A 4 80.327 -0.426 22.643 1.00 0.00 O ATOM 72 OE2 GLU A 4 80.315 -1.345 20.596 1.00 0.00 O ATOM 0 H GLU A 4 78.506 0.572 24.922 1.00 0.00 H new ATOM 0 HA GLU A 4 77.272 1.900 22.616 1.00 0.00 H new ATOM 0 HB2 GLU A 4 77.711 -1.089 22.849 1.00 0.00 H new ATOM 0 HB3 GLU A 4 76.467 -0.387 21.834 1.00 0.00 H new ATOM 0 HG2 GLU A 4 78.108 -0.340 20.237 1.00 0.00 H new ATOM 0 HG3 GLU A 4 78.623 1.123 21.053 1.00 0.00 H new ATOM 80 N LEU A 5 74.948 1.010 23.458 1.00 0.00 N ATOM 81 CA LEU A 5 73.680 0.940 24.166 1.00 0.00 C ATOM 82 C LEU A 5 73.703 -0.248 25.129 1.00 0.00 C ATOM 83 O LEU A 5 73.675 -0.066 26.346 1.00 0.00 O ATOM 84 CB LEU A 5 72.515 0.906 23.175 1.00 0.00 C ATOM 85 CG LEU A 5 71.895 2.259 22.821 1.00 0.00 C ATOM 86 CD1 LEU A 5 72.747 2.998 21.787 1.00 0.00 C ATOM 87 CD2 LEU A 5 70.446 2.095 22.358 1.00 0.00 C ATOM 0 H LEU A 5 74.867 1.138 22.449 1.00 0.00 H new ATOM 0 HA LEU A 5 73.530 1.836 24.769 1.00 0.00 H new ATOM 0 HB2 LEU A 5 72.861 0.435 22.255 1.00 0.00 H new ATOM 0 HB3 LEU A 5 71.733 0.267 23.586 1.00 0.00 H new ATOM 0 HG LEU A 5 71.877 2.872 23.722 1.00 0.00 H new ATOM 0 HD11 LEU A 5 72.284 3.957 21.553 1.00 0.00 H new ATOM 0 HD12 LEU A 5 73.745 3.166 22.191 1.00 0.00 H new ATOM 0 HD13 LEU A 5 72.819 2.398 20.880 1.00 0.00 H new ATOM 0 HD21 LEU A 5 70.030 3.072 22.113 1.00 0.00 H new ATOM 0 HD22 LEU A 5 70.416 1.456 21.475 1.00 0.00 H new ATOM 0 HD23 LEU A 5 69.859 1.640 23.155 1.00 0.00 H new ATOM 99 N THR A 6 73.755 -1.438 24.550 1.00 0.00 N ATOM 100 CA THR A 6 73.782 -2.656 25.342 1.00 0.00 C ATOM 101 C THR A 6 72.757 -2.579 26.474 1.00 0.00 C ATOM 102 O THR A 6 71.891 -1.704 26.474 1.00 0.00 O ATOM 103 CB THR A 6 75.216 -2.868 25.834 1.00 0.00 C ATOM 104 OG1 THR A 6 75.506 -1.686 26.576 1.00 0.00 O ATOM 105 CG2 THR A 6 76.235 -2.852 24.693 1.00 0.00 C ATOM 0 H THR A 6 73.779 -1.585 23.541 1.00 0.00 H new ATOM 0 HA THR A 6 73.496 -3.522 24.745 1.00 0.00 H new ATOM 0 HB THR A 6 75.281 -3.818 26.365 1.00 0.00 H new ATOM 0 HG1 THR A 6 74.668 -1.270 26.869 1.00 0.00 H new ATOM 0 HG21 THR A 6 77.236 -3.007 25.097 1.00 0.00 H new ATOM 0 HG22 THR A 6 76.002 -3.648 23.986 1.00 0.00 H new ATOM 0 HG23 THR A 6 76.194 -1.890 24.182 1.00 0.00 H new ATOM 113 N LYS A 7 72.887 -3.505 27.412 1.00 0.00 N ATOM 114 CA LYS A 7 71.982 -3.553 28.548 1.00 0.00 C ATOM 115 C LYS A 7 70.624 -2.980 28.137 1.00 0.00 C ATOM 116 O LYS A 7 70.365 -1.792 28.325 1.00 0.00 O ATOM 117 CB LYS A 7 72.604 -2.853 29.759 1.00 0.00 C ATOM 118 CG LYS A 7 74.114 -3.093 29.814 1.00 0.00 C ATOM 119 CD LYS A 7 74.533 -3.640 31.180 1.00 0.00 C ATOM 120 CE LYS A 7 74.684 -2.509 32.200 1.00 0.00 C ATOM 121 NZ LYS A 7 75.164 -3.041 33.496 1.00 0.00 N ATOM 0 H LYS A 7 73.606 -4.229 27.409 1.00 0.00 H new ATOM 0 HA LYS A 7 71.813 -4.584 28.857 1.00 0.00 H new ATOM 0 HB2 LYS A 7 72.404 -1.783 29.708 1.00 0.00 H new ATOM 0 HB3 LYS A 7 72.140 -3.221 30.674 1.00 0.00 H new ATOM 0 HG2 LYS A 7 74.403 -3.796 29.033 1.00 0.00 H new ATOM 0 HG3 LYS A 7 74.642 -2.160 29.614 1.00 0.00 H new ATOM 0 HD2 LYS A 7 73.790 -4.356 31.533 1.00 0.00 H new ATOM 0 HD3 LYS A 7 75.476 -4.179 31.087 1.00 0.00 H new ATOM 0 HE2 LYS A 7 75.385 -1.763 31.824 1.00 0.00 H new ATOM 0 HE3 LYS A 7 73.727 -2.006 32.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 75.261 -2.261 34.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 74.481 -3.736 33.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 76.087 -3.501 33.362 1.00 0.00 H new ATOM 134 N ALA A 8 69.793 -3.851 27.584 1.00 0.00 N ATOM 135 CA ALA A 8 68.469 -3.446 27.145 1.00 0.00 C ATOM 136 C ALA A 8 67.455 -3.752 28.250 1.00 0.00 C ATOM 137 O ALA A 8 66.625 -4.648 28.105 1.00 0.00 O ATOM 138 CB ALA A 8 68.129 -4.151 25.831 1.00 0.00 C ATOM 0 H ALA A 8 70.011 -4.835 27.430 1.00 0.00 H new ATOM 0 HA ALA A 8 68.438 -2.373 26.957 1.00 0.00 H new ATOM 0 HB1 ALA A 8 67.135 -3.847 25.502 1.00 0.00 H new ATOM 0 HB2 ALA A 8 68.862 -3.879 25.072 1.00 0.00 H new ATOM 0 HB3 ALA A 8 68.147 -5.230 25.982 1.00 0.00 H new ATOM 144 N GLU A 9 67.555 -2.989 29.328 1.00 0.00 N ATOM 145 CA GLU A 9 66.657 -3.166 30.457 1.00 0.00 C ATOM 146 C GLU A 9 65.427 -2.270 30.302 1.00 0.00 C ATOM 147 O GLU A 9 64.810 -1.879 31.293 1.00 0.00 O ATOM 148 CB GLU A 9 67.376 -2.888 31.778 1.00 0.00 C ATOM 149 CG GLU A 9 67.125 -4.012 32.786 1.00 0.00 C ATOM 150 CD GLU A 9 65.756 -3.857 33.451 1.00 0.00 C ATOM 151 OE1 GLU A 9 64.844 -4.655 33.186 1.00 0.00 O ATOM 152 OE2 GLU A 9 65.656 -2.866 34.270 1.00 0.00 O ATOM 0 H GLU A 9 68.244 -2.246 29.444 1.00 0.00 H new ATOM 0 HA GLU A 9 66.326 -4.204 30.474 1.00 0.00 H new ATOM 0 HB2 GLU A 9 68.447 -2.787 31.599 1.00 0.00 H new ATOM 0 HB3 GLU A 9 67.031 -1.940 32.191 1.00 0.00 H new ATOM 0 HG2 GLU A 9 67.181 -4.977 32.282 1.00 0.00 H new ATOM 0 HG3 GLU A 9 67.906 -4.004 33.547 1.00 0.00 H new ATOM 160 N LYS A 10 65.105 -1.970 29.052 1.00 0.00 N ATOM 161 CA LYS A 10 63.960 -1.128 28.755 1.00 0.00 C ATOM 162 C LYS A 10 62.923 -1.939 27.975 1.00 0.00 C ATOM 163 O LYS A 10 61.729 -1.866 28.261 1.00 0.00 O ATOM 164 CB LYS A 10 64.405 0.150 28.041 1.00 0.00 C ATOM 165 CG LYS A 10 65.545 -0.139 27.062 1.00 0.00 C ATOM 166 CD LYS A 10 65.724 1.016 26.073 1.00 0.00 C ATOM 167 CE LYS A 10 66.289 2.254 26.773 1.00 0.00 C ATOM 168 NZ LYS A 10 65.630 3.479 26.269 1.00 0.00 N ATOM 0 H LYS A 10 65.618 -2.296 28.233 1.00 0.00 H new ATOM 0 HA LYS A 10 63.480 -0.800 29.677 1.00 0.00 H new ATOM 0 HB2 LYS A 10 63.561 0.584 27.505 1.00 0.00 H new ATOM 0 HB3 LYS A 10 64.729 0.887 28.775 1.00 0.00 H new ATOM 0 HG2 LYS A 10 66.472 -0.297 27.614 1.00 0.00 H new ATOM 0 HG3 LYS A 10 65.337 -1.060 26.517 1.00 0.00 H new ATOM 0 HD2 LYS A 10 66.394 0.711 25.269 1.00 0.00 H new ATOM 0 HD3 LYS A 10 64.765 1.259 25.614 1.00 0.00 H new ATOM 0 HE2 LYS A 10 66.140 2.170 27.850 1.00 0.00 H new ATOM 0 HE3 LYS A 10 67.364 2.316 26.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 66.025 4.310 26.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 65.794 3.565 25.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 64.608 3.424 26.453 1.00 0.00 H new ATOM 181 N HIS A 11 63.418 -2.695 27.006 1.00 0.00 N ATOM 182 CA HIS A 11 62.550 -3.519 26.182 1.00 0.00 C ATOM 183 C HIS A 11 61.463 -2.648 25.550 1.00 0.00 C ATOM 184 O HIS A 11 61.340 -1.469 25.877 1.00 0.00 O ATOM 185 CB HIS A 11 61.979 -4.685 26.993 1.00 0.00 C ATOM 186 CG HIS A 11 62.831 -5.931 26.960 1.00 0.00 C ATOM 187 ND1 HIS A 11 62.574 -7.036 27.752 1.00 0.00 N ATOM 188 CD2 HIS A 11 63.937 -6.236 26.221 1.00 0.00 C ATOM 189 CE1 HIS A 11 63.490 -7.958 27.495 1.00 0.00 C ATOM 190 NE2 HIS A 11 64.334 -7.460 26.546 1.00 0.00 N ATOM 0 H HIS A 11 64.409 -2.754 26.773 1.00 0.00 H new ATOM 0 HA HIS A 11 63.127 -3.964 25.371 1.00 0.00 H new ATOM 0 HB2 HIS A 11 61.857 -4.368 28.029 1.00 0.00 H new ATOM 0 HB3 HIS A 11 60.986 -4.926 26.614 1.00 0.00 H new ATOM 0 HD2 HIS A 11 64.409 -5.591 25.495 1.00 0.00 H new ATOM 0 HE1 HIS A 11 63.557 -8.932 27.956 1.00 0.00 H new ATOM 0 HE2 HIS A 11 65.138 -7.948 26.151 1.00 0.00 H new ATOM 198 N VAL A 12 60.702 -3.263 24.657 1.00 0.00 N ATOM 199 CA VAL A 12 59.630 -2.558 23.976 1.00 0.00 C ATOM 200 C VAL A 12 58.339 -3.372 24.087 1.00 0.00 C ATOM 201 O VAL A 12 57.328 -3.026 23.478 1.00 0.00 O ATOM 202 CB VAL A 12 60.030 -2.268 22.528 1.00 0.00 C ATOM 203 CG1 VAL A 12 59.557 -3.384 21.594 1.00 0.00 C ATOM 204 CG2 VAL A 12 59.496 -0.909 22.072 1.00 0.00 C ATOM 0 H VAL A 12 60.807 -4.242 24.389 1.00 0.00 H new ATOM 0 HA VAL A 12 59.448 -1.593 24.448 1.00 0.00 H new ATOM 0 HB VAL A 12 61.118 -2.232 22.483 1.00 0.00 H new ATOM 0 HG11 VAL A 12 59.854 -3.153 20.571 1.00 0.00 H new ATOM 0 HG12 VAL A 12 60.008 -4.329 21.898 1.00 0.00 H new ATOM 0 HG13 VAL A 12 58.471 -3.467 21.646 1.00 0.00 H new ATOM 0 HG21 VAL A 12 59.795 -0.728 21.039 1.00 0.00 H new ATOM 0 HG22 VAL A 12 58.408 -0.904 22.141 1.00 0.00 H new ATOM 0 HG23 VAL A 12 59.904 -0.125 22.710 1.00 0.00 H new ATOM 214 N HIS A 13 58.415 -4.438 24.871 1.00 0.00 N ATOM 215 CA HIS A 13 57.266 -5.303 25.070 1.00 0.00 C ATOM 216 C HIS A 13 56.907 -5.993 23.752 1.00 0.00 C ATOM 217 O HIS A 13 57.185 -7.177 23.571 1.00 0.00 O ATOM 218 CB HIS A 13 56.094 -4.522 25.669 1.00 0.00 C ATOM 219 CG HIS A 13 56.281 -4.149 27.120 1.00 0.00 C ATOM 220 ND1 HIS A 13 55.384 -3.354 27.811 1.00 0.00 N ATOM 221 CD2 HIS A 13 57.270 -4.472 28.002 1.00 0.00 C ATOM 222 CE1 HIS A 13 55.824 -3.210 29.053 1.00 0.00 C ATOM 223 NE2 HIS A 13 56.993 -3.903 29.169 1.00 0.00 N ATOM 0 H HIS A 13 59.255 -4.722 25.376 1.00 0.00 H new ATOM 0 HA HIS A 13 57.514 -6.082 25.791 1.00 0.00 H new ATOM 0 HB2 HIS A 13 55.942 -3.613 25.088 1.00 0.00 H new ATOM 0 HB3 HIS A 13 55.186 -5.118 25.572 1.00 0.00 H new ATOM 0 HD2 HIS A 13 58.132 -5.086 27.787 1.00 0.00 H new ATOM 0 HE1 HIS A 13 55.342 -2.643 29.836 1.00 0.00 H new ATOM 0 HE2 HIS A 13 57.561 -3.973 30.013 1.00 0.00 H new ATOM 231 N ASN A 14 56.295 -5.221 22.866 1.00 0.00 N ATOM 232 CA ASN A 14 55.896 -5.743 21.570 1.00 0.00 C ATOM 233 C ASN A 14 55.282 -4.615 20.738 1.00 0.00 C ATOM 234 O ASN A 14 54.079 -4.370 20.809 1.00 0.00 O ATOM 235 CB ASN A 14 54.846 -6.845 21.719 1.00 0.00 C ATOM 236 CG ASN A 14 54.910 -7.827 20.547 1.00 0.00 C ATOM 237 OD1 ASN A 14 55.146 -7.459 19.408 1.00 0.00 O ATOM 238 ND2 ASN A 14 54.688 -9.092 20.889 1.00 0.00 N ATOM 0 H ASN A 14 56.066 -4.239 23.020 1.00 0.00 H new ATOM 0 HA ASN A 14 56.782 -6.152 21.085 1.00 0.00 H new ATOM 0 HB2 ASN A 14 55.006 -7.380 22.655 1.00 0.00 H new ATOM 0 HB3 ASN A 14 53.852 -6.400 21.771 1.00 0.00 H new ATOM 0 HD21 ASN A 14 54.709 -9.824 20.179 1.00 0.00 H new ATOM 0 HD22 ASN A 14 54.496 -9.331 21.862 1.00 0.00 H new ATOM 245 N PHE A 15 56.138 -3.957 19.969 1.00 0.00 N ATOM 246 CA PHE A 15 55.694 -2.860 19.125 1.00 0.00 C ATOM 247 C PHE A 15 56.674 -2.624 17.974 1.00 0.00 C ATOM 248 O PHE A 15 57.639 -1.876 18.119 1.00 0.00 O ATOM 249 CB PHE A 15 55.648 -1.609 20.004 1.00 0.00 C ATOM 250 CG PHE A 15 54.322 -1.417 20.742 1.00 0.00 C ATOM 251 CD1 PHE A 15 53.273 -0.822 20.113 1.00 0.00 C ATOM 252 CD2 PHE A 15 54.191 -1.840 22.028 1.00 0.00 C ATOM 253 CE1 PHE A 15 52.042 -0.643 20.798 1.00 0.00 C ATOM 254 CE2 PHE A 15 52.961 -1.661 22.713 1.00 0.00 C ATOM 255 CZ PHE A 15 51.912 -1.066 22.084 1.00 0.00 C ATOM 0 H PHE A 15 57.136 -4.162 19.913 1.00 0.00 H new ATOM 0 HA PHE A 15 54.719 -3.091 18.696 1.00 0.00 H new ATOM 0 HB2 PHE A 15 56.455 -1.661 20.735 1.00 0.00 H new ATOM 0 HB3 PHE A 15 55.837 -0.733 19.383 1.00 0.00 H new ATOM 0 HD1 PHE A 15 53.376 -0.485 19.092 1.00 0.00 H new ATOM 0 HD2 PHE A 15 55.024 -2.312 22.528 1.00 0.00 H new ATOM 0 HE1 PHE A 15 51.209 -0.171 20.298 1.00 0.00 H new ATOM 0 HE2 PHE A 15 52.858 -1.997 23.734 1.00 0.00 H new ATOM 0 HZ PHE A 15 50.976 -0.930 22.606 1.00 0.00 H new ATOM 265 N MET A 16 56.392 -3.276 16.855 1.00 0.00 N ATOM 266 CA MET A 16 57.236 -3.146 15.680 1.00 0.00 C ATOM 267 C MET A 16 56.730 -4.032 14.540 1.00 0.00 C ATOM 268 O MET A 16 56.815 -3.657 13.372 1.00 0.00 O ATOM 269 CB MET A 16 58.671 -3.542 16.035 1.00 0.00 C ATOM 270 CG MET A 16 58.695 -4.817 16.881 1.00 0.00 C ATOM 271 SD MET A 16 60.347 -5.490 16.925 1.00 0.00 S ATOM 272 CE MET A 16 61.140 -4.294 17.988 1.00 0.00 C ATOM 0 H MET A 16 55.590 -3.896 16.738 1.00 0.00 H new ATOM 0 HA MET A 16 57.207 -2.108 15.349 1.00 0.00 H new ATOM 0 HB2 MET A 16 59.246 -3.696 15.122 1.00 0.00 H new ATOM 0 HB3 MET A 16 59.152 -2.730 16.581 1.00 0.00 H new ATOM 0 HG2 MET A 16 58.356 -4.598 17.893 1.00 0.00 H new ATOM 0 HG3 MET A 16 58.005 -5.552 16.466 1.00 0.00 H new ATOM 0 HE1 MET A 16 61.904 -3.757 17.425 1.00 0.00 H new ATOM 0 HE2 MET A 16 60.397 -3.587 18.358 1.00 0.00 H new ATOM 0 HE3 MET A 16 61.604 -4.807 18.831 1.00 0.00 H new ATOM 282 N MET A 17 56.214 -5.192 14.920 1.00 0.00 N ATOM 283 CA MET A 17 55.694 -6.135 13.944 1.00 0.00 C ATOM 284 C MET A 17 54.202 -5.900 13.696 1.00 0.00 C ATOM 285 O MET A 17 53.758 -5.861 12.550 1.00 0.00 O ATOM 286 CB MET A 17 55.909 -7.563 14.448 1.00 0.00 C ATOM 287 CG MET A 17 57.361 -8.002 14.248 1.00 0.00 C ATOM 288 SD MET A 17 57.412 -9.655 13.578 1.00 0.00 S ATOM 289 CE MET A 17 58.607 -9.424 12.272 1.00 0.00 C ATOM 0 H MET A 17 56.145 -5.500 15.890 1.00 0.00 H new ATOM 0 HA MET A 17 56.227 -5.988 13.005 1.00 0.00 H new ATOM 0 HB2 MET A 17 55.650 -7.622 15.505 1.00 0.00 H new ATOM 0 HB3 MET A 17 55.243 -8.244 13.918 1.00 0.00 H new ATOM 0 HG2 MET A 17 57.869 -7.312 13.574 1.00 0.00 H new ATOM 0 HG3 MET A 17 57.894 -7.969 15.198 1.00 0.00 H new ATOM 0 HE1 MET A 17 58.759 -10.367 11.747 1.00 0.00 H new ATOM 0 HE2 MET A 17 58.240 -8.674 11.572 1.00 0.00 H new ATOM 0 HE3 MET A 17 59.553 -9.090 12.699 1.00 0.00 H new ATOM 299 N ASP A 18 53.470 -5.750 14.790 1.00 0.00 N ATOM 300 CA ASP A 18 52.037 -5.521 14.706 1.00 0.00 C ATOM 301 C ASP A 18 51.419 -5.669 16.097 1.00 0.00 C ATOM 302 O ASP A 18 51.401 -6.763 16.659 1.00 0.00 O ATOM 303 CB ASP A 18 51.370 -6.540 13.781 1.00 0.00 C ATOM 304 CG ASP A 18 50.492 -5.938 12.682 1.00 0.00 C ATOM 305 OD1 ASP A 18 49.925 -4.847 12.843 1.00 0.00 O ATOM 306 OD2 ASP A 18 50.399 -6.647 11.608 1.00 0.00 O ATOM 0 H ASP A 18 53.842 -5.782 15.739 1.00 0.00 H new ATOM 0 HA ASP A 18 51.878 -4.518 14.311 1.00 0.00 H new ATOM 0 HB2 ASP A 18 52.146 -7.147 13.314 1.00 0.00 H new ATOM 0 HB3 ASP A 18 50.760 -7.212 14.385 1.00 0.00 H new ATOM 312 N THR A 19 50.926 -4.552 16.613 1.00 0.00 N ATOM 313 CA THR A 19 50.309 -4.544 17.928 1.00 0.00 C ATOM 314 C THR A 19 49.205 -5.600 18.005 1.00 0.00 C ATOM 315 O THR A 19 49.034 -6.251 19.035 1.00 0.00 O ATOM 316 CB THR A 19 49.812 -3.124 18.208 1.00 0.00 C ATOM 317 OG1 THR A 19 48.812 -3.297 19.209 1.00 0.00 O ATOM 318 CG2 THR A 19 49.053 -2.525 17.022 1.00 0.00 C ATOM 0 H THR A 19 50.942 -3.647 16.144 1.00 0.00 H new ATOM 0 HA THR A 19 51.027 -4.812 18.704 1.00 0.00 H new ATOM 0 HB THR A 19 50.660 -2.485 18.456 1.00 0.00 H new ATOM 0 HG1 THR A 19 48.437 -2.425 19.451 1.00 0.00 H new ATOM 0 HG21 THR A 19 48.722 -1.517 17.273 1.00 0.00 H new ATOM 0 HG22 THR A 19 49.709 -2.485 16.153 1.00 0.00 H new ATOM 0 HG23 THR A 19 48.186 -3.145 16.794 1.00 0.00 H new ATOM 326 N GLN A 20 48.483 -5.737 16.902 1.00 0.00 N ATOM 327 CA GLN A 20 47.400 -6.703 16.832 1.00 0.00 C ATOM 328 C GLN A 20 46.782 -6.708 15.432 1.00 0.00 C ATOM 329 O GLN A 20 45.568 -6.840 15.286 1.00 0.00 O ATOM 330 CB GLN A 20 46.340 -6.418 17.898 1.00 0.00 C ATOM 331 CG GLN A 20 45.338 -7.570 17.998 1.00 0.00 C ATOM 332 CD GLN A 20 45.146 -8.005 19.452 1.00 0.00 C ATOM 333 OE1 GLN A 20 45.554 -9.078 19.865 1.00 0.00 O ATOM 334 NE2 GLN A 20 44.503 -7.115 20.203 1.00 0.00 N ATOM 0 H GLN A 20 48.627 -5.195 16.050 1.00 0.00 H new ATOM 0 HA GLN A 20 47.810 -7.693 17.030 1.00 0.00 H new ATOM 0 HB2 GLN A 20 46.822 -6.266 18.864 1.00 0.00 H new ATOM 0 HB3 GLN A 20 45.814 -5.494 17.655 1.00 0.00 H new ATOM 0 HG2 GLN A 20 44.381 -7.262 17.578 1.00 0.00 H new ATOM 0 HG3 GLN A 20 45.689 -8.415 17.405 1.00 0.00 H new ATOM 0 HE21 GLN A 20 44.188 -6.235 19.794 1.00 0.00 H new ATOM 0 HE22 GLN A 20 44.325 -7.312 21.188 1.00 0.00 H new ATOM 343 N LEU A 21 47.647 -6.562 14.439 1.00 0.00 N ATOM 344 CA LEU A 21 47.201 -6.547 13.056 1.00 0.00 C ATOM 345 C LEU A 21 45.901 -5.748 12.952 1.00 0.00 C ATOM 346 O LEU A 21 45.062 -6.029 12.097 1.00 0.00 O ATOM 347 CB LEU A 21 47.092 -7.973 12.513 1.00 0.00 C ATOM 348 CG LEU A 21 46.081 -8.883 13.215 1.00 0.00 C ATOM 349 CD1 LEU A 21 44.648 -8.516 12.822 1.00 0.00 C ATOM 350 CD2 LEU A 21 46.390 -10.357 12.946 1.00 0.00 C ATOM 0 H LEU A 21 48.653 -6.453 14.564 1.00 0.00 H new ATOM 0 HA LEU A 21 47.934 -6.045 12.425 1.00 0.00 H new ATOM 0 HB2 LEU A 21 46.830 -7.919 11.456 1.00 0.00 H new ATOM 0 HB3 LEU A 21 48.075 -8.440 12.574 1.00 0.00 H new ATOM 0 HG LEU A 21 46.170 -8.727 14.290 1.00 0.00 H new ATOM 0 HD11 LEU A 21 43.949 -9.177 13.334 1.00 0.00 H new ATOM 0 HD12 LEU A 21 44.446 -7.484 13.107 1.00 0.00 H new ATOM 0 HD13 LEU A 21 44.527 -8.625 11.744 1.00 0.00 H new ATOM 0 HD21 LEU A 21 45.657 -10.981 13.456 1.00 0.00 H new ATOM 0 HD22 LEU A 21 46.346 -10.548 11.874 1.00 0.00 H new ATOM 0 HD23 LEU A 21 47.388 -10.593 13.316 1.00 0.00 H new ATOM 362 N THR A 22 45.773 -4.768 13.834 1.00 0.00 N ATOM 363 CA THR A 22 44.589 -3.926 13.852 1.00 0.00 C ATOM 364 C THR A 22 44.679 -2.855 12.764 1.00 0.00 C ATOM 365 O THR A 22 45.132 -1.741 13.020 1.00 0.00 O ATOM 366 CB THR A 22 44.441 -3.349 15.262 1.00 0.00 C ATOM 367 OG1 THR A 22 43.912 -4.430 16.025 1.00 0.00 O ATOM 368 CG2 THR A 22 43.358 -2.271 15.342 1.00 0.00 C ATOM 0 H THR A 22 46.470 -4.538 14.542 1.00 0.00 H new ATOM 0 HA THR A 22 43.691 -4.501 13.624 1.00 0.00 H new ATOM 0 HB THR A 22 45.394 -2.931 15.586 1.00 0.00 H new ATOM 0 HG1 THR A 22 44.381 -5.257 15.789 1.00 0.00 H new ATOM 0 HG21 THR A 22 43.294 -1.895 16.363 1.00 0.00 H new ATOM 0 HG22 THR A 22 43.610 -1.452 14.669 1.00 0.00 H new ATOM 0 HG23 THR A 22 42.398 -2.697 15.051 1.00 0.00 H new ATOM 376 N LYS A 23 44.241 -3.231 11.571 1.00 0.00 N ATOM 377 CA LYS A 23 44.267 -2.317 10.442 1.00 0.00 C ATOM 378 C LYS A 23 43.039 -2.563 9.563 1.00 0.00 C ATOM 379 O LYS A 23 42.178 -3.372 9.907 1.00 0.00 O ATOM 380 CB LYS A 23 45.594 -2.431 9.690 1.00 0.00 C ATOM 381 CG LYS A 23 45.605 -3.661 8.780 1.00 0.00 C ATOM 382 CD LYS A 23 46.765 -4.594 9.133 1.00 0.00 C ATOM 383 CE LYS A 23 47.214 -5.397 7.910 1.00 0.00 C ATOM 384 NZ LYS A 23 46.222 -6.447 7.588 1.00 0.00 N ATOM 0 H LYS A 23 43.866 -4.156 11.362 1.00 0.00 H new ATOM 0 HA LYS A 23 44.211 -1.285 10.787 1.00 0.00 H new ATOM 0 HB2 LYS A 23 45.757 -1.533 9.095 1.00 0.00 H new ATOM 0 HB3 LYS A 23 46.416 -2.495 10.403 1.00 0.00 H new ATOM 0 HG2 LYS A 23 44.661 -4.197 8.876 1.00 0.00 H new ATOM 0 HG3 LYS A 23 45.690 -3.347 7.740 1.00 0.00 H new ATOM 0 HD2 LYS A 23 47.602 -4.011 9.517 1.00 0.00 H new ATOM 0 HD3 LYS A 23 46.460 -5.275 9.928 1.00 0.00 H new ATOM 0 HE2 LYS A 23 47.338 -4.731 7.056 1.00 0.00 H new ATOM 0 HE3 LYS A 23 48.185 -5.853 8.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 46.541 -6.983 6.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 46.124 -7.092 8.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 45.303 -6.005 7.383 1.00 0.00 H new ATOM 397 N ARG A 24 42.998 -1.852 8.446 1.00 0.00 N ATOM 398 CA ARG A 24 41.890 -1.984 7.516 1.00 0.00 C ATOM 399 C ARG A 24 42.202 -3.052 6.466 1.00 0.00 C ATOM 400 O ARG A 24 43.098 -3.873 6.658 1.00 0.00 O ATOM 401 CB ARG A 24 41.601 -0.656 6.812 1.00 0.00 C ATOM 402 CG ARG A 24 40.169 -0.192 7.084 1.00 0.00 C ATOM 403 CD ARG A 24 39.326 -0.237 5.808 1.00 0.00 C ATOM 404 NE ARG A 24 38.175 -1.149 5.994 1.00 0.00 N ATOM 405 CZ ARG A 24 37.216 -0.977 6.928 1.00 0.00 C ATOM 406 NH1 ARG A 24 37.262 0.076 7.772 1.00 0.00 N ATOM 407 NH2 ARG A 24 36.233 -1.854 7.005 1.00 0.00 N ATOM 0 H ARG A 24 43.714 -1.183 8.164 1.00 0.00 H new ATOM 0 HA ARG A 24 41.010 -2.278 8.088 1.00 0.00 H new ATOM 0 HB2 ARG A 24 42.304 0.103 7.156 1.00 0.00 H new ATOM 0 HB3 ARG A 24 41.753 -0.769 5.739 1.00 0.00 H new ATOM 0 HG2 ARG A 24 39.716 -0.826 7.846 1.00 0.00 H new ATOM 0 HG3 ARG A 24 40.181 0.823 7.480 1.00 0.00 H new ATOM 0 HD2 ARG A 24 38.971 0.764 5.561 1.00 0.00 H new ATOM 0 HD3 ARG A 24 39.937 -0.575 4.971 1.00 0.00 H new ATOM 0 HE ARG A 24 38.102 -1.958 5.378 1.00 0.00 H new ATOM 0 HH11 ARG A 24 38.026 0.749 7.707 1.00 0.00 H new ATOM 0 HH12 ARG A 24 36.533 0.198 8.475 1.00 0.00 H new ATOM 0 HH21 ARG A 24 36.206 -2.647 6.364 1.00 0.00 H new ATOM 0 HH22 ARG A 24 35.500 -1.739 7.705 1.00 0.00 H new ATOM 420 N VAL A 25 41.446 -3.008 5.379 1.00 0.00 N ATOM 421 CA VAL A 25 41.631 -3.962 4.299 1.00 0.00 C ATOM 422 C VAL A 25 42.721 -3.451 3.355 1.00 0.00 C ATOM 423 O VAL A 25 42.542 -3.449 2.138 1.00 0.00 O ATOM 424 CB VAL A 25 40.298 -4.216 3.591 1.00 0.00 C ATOM 425 CG1 VAL A 25 39.718 -2.916 3.031 1.00 0.00 C ATOM 426 CG2 VAL A 25 40.454 -5.267 2.490 1.00 0.00 C ATOM 0 H VAL A 25 40.704 -2.326 5.223 1.00 0.00 H new ATOM 0 HA VAL A 25 41.964 -4.923 4.691 1.00 0.00 H new ATOM 0 HB VAL A 25 39.596 -4.605 4.328 1.00 0.00 H new ATOM 0 HG11 VAL A 25 38.771 -3.125 2.533 1.00 0.00 H new ATOM 0 HG12 VAL A 25 39.552 -2.211 3.846 1.00 0.00 H new ATOM 0 HG13 VAL A 25 40.417 -2.485 2.315 1.00 0.00 H new ATOM 0 HG21 VAL A 25 39.493 -5.429 2.003 1.00 0.00 H new ATOM 0 HG22 VAL A 25 41.179 -4.919 1.755 1.00 0.00 H new ATOM 0 HG23 VAL A 25 40.801 -6.203 2.927 1.00 0.00 H new ATOM 436 N LYS A 26 43.827 -3.032 3.951 1.00 0.00 N ATOM 437 CA LYS A 26 44.947 -2.520 3.179 1.00 0.00 C ATOM 438 C LYS A 26 44.726 -1.034 2.892 1.00 0.00 C ATOM 439 O LYS A 26 44.819 -0.598 1.746 1.00 0.00 O ATOM 440 CB LYS A 26 45.159 -3.364 1.921 1.00 0.00 C ATOM 441 CG LYS A 26 46.592 -3.224 1.401 1.00 0.00 C ATOM 442 CD LYS A 26 47.607 -3.536 2.503 1.00 0.00 C ATOM 443 CE LYS A 26 48.843 -4.231 1.928 1.00 0.00 C ATOM 444 NZ LYS A 26 49.029 -5.559 2.554 1.00 0.00 N ATOM 0 H LYS A 26 43.972 -3.036 4.961 1.00 0.00 H new ATOM 0 HA LYS A 26 45.872 -2.600 3.750 1.00 0.00 H new ATOM 0 HB2 LYS A 26 44.949 -4.411 2.141 1.00 0.00 H new ATOM 0 HB3 LYS A 26 44.456 -3.054 1.148 1.00 0.00 H new ATOM 0 HG2 LYS A 26 46.745 -3.899 0.559 1.00 0.00 H new ATOM 0 HG3 LYS A 26 46.751 -2.211 1.031 1.00 0.00 H new ATOM 0 HD2 LYS A 26 47.903 -2.613 3.002 1.00 0.00 H new ATOM 0 HD3 LYS A 26 47.146 -4.172 3.258 1.00 0.00 H new ATOM 0 HE2 LYS A 26 48.736 -4.343 0.849 1.00 0.00 H new ATOM 0 HE3 LYS A 26 49.726 -3.615 2.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 49.872 -6.017 2.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 49.153 -5.445 3.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 48.193 -6.150 2.370 1.00 0.00 H new ATOM 457 N ASN A 27 44.437 -0.295 3.954 1.00 0.00 N ATOM 458 CA ASN A 27 44.203 1.133 3.831 1.00 0.00 C ATOM 459 C ASN A 27 43.399 1.406 2.558 1.00 0.00 C ATOM 460 O ASN A 27 43.542 2.462 1.944 1.00 0.00 O ATOM 461 CB ASN A 27 45.522 1.901 3.732 1.00 0.00 C ATOM 462 CG ASN A 27 45.273 3.408 3.632 1.00 0.00 C ATOM 463 OD1 ASN A 27 44.845 4.056 4.573 1.00 0.00 O ATOM 464 ND2 ASN A 27 45.564 3.927 2.443 1.00 0.00 N ATOM 0 H ASN A 27 44.360 -0.659 4.904 1.00 0.00 H new ATOM 0 HA ASN A 27 43.660 1.463 4.716 1.00 0.00 H new ATOM 0 HB2 ASN A 27 46.138 1.688 4.606 1.00 0.00 H new ATOM 0 HB3 ASN A 27 46.080 1.562 2.859 1.00 0.00 H new ATOM 0 HD21 ASN A 27 45.432 4.925 2.276 1.00 0.00 H new ATOM 0 HD22 ASN A 27 45.919 3.328 1.698 1.00 0.00 H new ATOM 471 N ALA A 28 42.572 0.435 2.199 1.00 0.00 N ATOM 472 CA ALA A 28 41.746 0.557 1.010 1.00 0.00 C ATOM 473 C ALA A 28 40.617 1.554 1.278 1.00 0.00 C ATOM 474 O ALA A 28 39.909 1.958 0.357 1.00 0.00 O ATOM 475 CB ALA A 28 41.222 -0.824 0.608 1.00 0.00 C ATOM 0 H ALA A 28 42.456 -0.440 2.711 1.00 0.00 H new ATOM 0 HA ALA A 28 42.331 0.940 0.174 1.00 0.00 H new ATOM 0 HB1 ALA A 28 40.602 -0.733 -0.284 1.00 0.00 H new ATOM 0 HB2 ALA A 28 42.063 -1.486 0.399 1.00 0.00 H new ATOM 0 HB3 ALA A 28 40.627 -1.239 1.422 1.00 0.00 H new ATOM 481 N ALA A 29 40.484 1.921 2.544 1.00 0.00 N ATOM 482 CA ALA A 29 39.453 2.863 2.946 1.00 0.00 C ATOM 483 C ALA A 29 39.949 3.674 4.145 1.00 0.00 C ATOM 484 O ALA A 29 39.894 4.903 4.132 1.00 0.00 O ATOM 485 CB ALA A 29 38.160 2.105 3.249 1.00 0.00 C ATOM 0 H ALA A 29 41.073 1.583 3.305 1.00 0.00 H new ATOM 0 HA ALA A 29 39.238 3.565 2.140 1.00 0.00 H new ATOM 0 HB1 ALA A 29 37.386 2.811 3.551 1.00 0.00 H new ATOM 0 HB2 ALA A 29 37.835 1.569 2.357 1.00 0.00 H new ATOM 0 HB3 ALA A 29 38.336 1.393 4.056 1.00 0.00 H new ATOM 491 N ALA A 30 40.421 2.954 5.151 1.00 0.00 N ATOM 492 CA ALA A 30 40.926 3.592 6.356 1.00 0.00 C ATOM 493 C ALA A 30 39.828 4.468 6.962 1.00 0.00 C ATOM 494 O ALA A 30 40.109 5.348 7.774 1.00 0.00 O ATOM 495 CB ALA A 30 42.189 4.387 6.021 1.00 0.00 C ATOM 0 H ALA A 30 40.465 1.935 5.157 1.00 0.00 H new ATOM 0 HA ALA A 30 41.200 2.845 7.101 1.00 0.00 H new ATOM 0 HB1 ALA A 30 42.568 4.866 6.924 1.00 0.00 H new ATOM 0 HB2 ALA A 30 42.947 3.714 5.621 1.00 0.00 H new ATOM 0 HB3 ALA A 30 41.953 5.149 5.278 1.00 0.00 H new ATOM 501 N ASN A 31 38.600 4.197 6.544 1.00 0.00 N ATOM 502 CA ASN A 31 37.459 4.950 7.035 1.00 0.00 C ATOM 503 C ASN A 31 37.277 6.207 6.182 1.00 0.00 C ATOM 504 O ASN A 31 36.469 7.074 6.512 1.00 0.00 O ATOM 505 CB ASN A 31 37.672 5.389 8.485 1.00 0.00 C ATOM 506 CG ASN A 31 38.305 4.267 9.311 1.00 0.00 C ATOM 507 OD1 ASN A 31 38.461 3.144 8.862 1.00 0.00 O ATOM 508 ND2 ASN A 31 38.659 4.633 10.539 1.00 0.00 N ATOM 0 H ASN A 31 38.371 3.466 5.871 1.00 0.00 H new ATOM 0 HA ASN A 31 36.581 4.307 6.978 1.00 0.00 H new ATOM 0 HB2 ASN A 31 38.313 6.270 8.511 1.00 0.00 H new ATOM 0 HB3 ASN A 31 36.717 5.676 8.926 1.00 0.00 H new ATOM 0 HD21 ASN A 31 39.090 3.956 11.169 1.00 0.00 H new ATOM 0 HD22 ASN A 31 38.500 5.591 10.852 1.00 0.00 H new ATOM 515 N VAL A 32 38.043 6.266 5.102 1.00 0.00 N ATOM 516 CA VAL A 32 37.976 7.403 4.199 1.00 0.00 C ATOM 517 C VAL A 32 37.823 8.688 5.015 1.00 0.00 C ATOM 518 O VAL A 32 37.217 9.653 4.552 1.00 0.00 O ATOM 519 CB VAL A 32 36.849 7.200 3.185 1.00 0.00 C ATOM 520 CG1 VAL A 32 36.733 8.403 2.247 1.00 0.00 C ATOM 521 CG2 VAL A 32 37.048 5.906 2.395 1.00 0.00 C ATOM 0 H VAL A 32 38.713 5.545 4.832 1.00 0.00 H new ATOM 0 HA VAL A 32 38.899 7.491 3.625 1.00 0.00 H new ATOM 0 HB VAL A 32 35.913 7.114 3.737 1.00 0.00 H new ATOM 0 HG11 VAL A 32 35.925 8.233 1.536 1.00 0.00 H new ATOM 0 HG12 VAL A 32 36.522 9.300 2.830 1.00 0.00 H new ATOM 0 HG13 VAL A 32 37.670 8.534 1.706 1.00 0.00 H new ATOM 0 HG21 VAL A 32 36.233 5.786 1.681 1.00 0.00 H new ATOM 0 HG22 VAL A 32 37.996 5.949 1.859 1.00 0.00 H new ATOM 0 HG23 VAL A 32 37.057 5.059 3.081 1.00 0.00 H new ATOM 531 N LEU A 33 38.383 8.660 6.215 1.00 0.00 N ATOM 532 CA LEU A 33 38.316 9.811 7.100 1.00 0.00 C ATOM 533 C LEU A 33 36.877 9.991 7.588 1.00 0.00 C ATOM 534 O LEU A 33 36.620 9.983 8.790 1.00 0.00 O ATOM 535 CB LEU A 33 38.892 11.050 6.411 1.00 0.00 C ATOM 536 CG LEU A 33 38.250 12.386 6.788 1.00 0.00 C ATOM 537 CD1 LEU A 33 39.316 13.437 7.104 1.00 0.00 C ATOM 538 CD2 LEU A 33 37.285 12.858 5.699 1.00 0.00 C ATOM 0 H LEU A 33 38.886 7.858 6.596 1.00 0.00 H new ATOM 0 HA LEU A 33 38.934 9.649 7.983 1.00 0.00 H new ATOM 0 HB2 LEU A 33 39.957 11.105 6.637 1.00 0.00 H new ATOM 0 HB3 LEU A 33 38.801 10.917 5.333 1.00 0.00 H new ATOM 0 HG LEU A 33 37.664 12.239 7.695 1.00 0.00 H new ATOM 0 HD11 LEU A 33 38.833 14.377 7.369 1.00 0.00 H new ATOM 0 HD12 LEU A 33 39.927 13.095 7.939 1.00 0.00 H new ATOM 0 HD13 LEU A 33 39.949 13.588 6.229 1.00 0.00 H new ATOM 0 HD21 LEU A 33 36.843 13.810 5.993 1.00 0.00 H new ATOM 0 HD22 LEU A 33 37.827 12.984 4.762 1.00 0.00 H new ATOM 0 HD23 LEU A 33 36.497 12.117 5.566 1.00 0.00 H new ATOM 550 N ARG A 34 35.977 10.149 6.628 1.00 0.00 N ATOM 551 CA ARG A 34 34.571 10.332 6.945 1.00 0.00 C ATOM 552 C ARG A 34 33.904 8.978 7.198 1.00 0.00 C ATOM 553 O ARG A 34 33.154 8.821 8.160 1.00 0.00 O ATOM 554 CB ARG A 34 33.839 11.049 5.809 1.00 0.00 C ATOM 555 CG ARG A 34 32.886 12.113 6.356 1.00 0.00 C ATOM 556 CD ARG A 34 32.459 13.086 5.255 1.00 0.00 C ATOM 557 NE ARG A 34 33.522 14.091 5.028 1.00 0.00 N ATOM 558 CZ ARG A 34 33.375 15.184 4.250 1.00 0.00 C ATOM 559 NH1 ARG A 34 32.207 15.423 3.617 1.00 0.00 N ATOM 560 NH2 ARG A 34 34.392 16.016 4.118 1.00 0.00 N ATOM 0 H ARG A 34 36.194 10.154 5.631 1.00 0.00 H new ATOM 0 HA ARG A 34 34.511 10.945 7.844 1.00 0.00 H new ATOM 0 HB2 ARG A 34 34.564 11.514 5.141 1.00 0.00 H new ATOM 0 HB3 ARG A 34 33.280 10.324 5.218 1.00 0.00 H new ATOM 0 HG2 ARG A 34 32.006 11.633 6.783 1.00 0.00 H new ATOM 0 HG3 ARG A 34 33.372 12.662 7.162 1.00 0.00 H new ATOM 0 HD2 ARG A 34 32.260 12.540 4.333 1.00 0.00 H new ATOM 0 HD3 ARG A 34 31.531 13.583 5.537 1.00 0.00 H new ATOM 0 HE ARG A 34 34.421 13.949 5.488 1.00 0.00 H new ATOM 0 HH11 ARG A 34 31.427 14.775 3.725 1.00 0.00 H new ATOM 0 HH12 ARG A 34 32.105 16.252 3.031 1.00 0.00 H new ATOM 0 HH21 ARG A 34 35.271 15.828 4.600 1.00 0.00 H new ATOM 0 HH22 ARG A 34 34.299 16.847 3.534 1.00 0.00 H new ATOM 573 N GLU A 35 34.202 8.034 6.317 1.00 0.00 N ATOM 574 CA GLU A 35 33.641 6.698 6.433 1.00 0.00 C ATOM 575 C GLU A 35 32.147 6.720 6.102 1.00 0.00 C ATOM 576 O GLU A 35 31.353 6.047 6.757 1.00 0.00 O ATOM 577 CB GLU A 35 33.885 6.120 7.828 1.00 0.00 C ATOM 578 CG GLU A 35 34.375 4.673 7.744 1.00 0.00 C ATOM 579 CD GLU A 35 33.278 3.697 8.175 1.00 0.00 C ATOM 580 OE1 GLU A 35 32.153 4.122 8.477 1.00 0.00 O ATOM 581 OE2 GLU A 35 33.628 2.455 8.188 1.00 0.00 O ATOM 0 H GLU A 35 34.824 8.168 5.520 1.00 0.00 H new ATOM 0 HA GLU A 35 34.143 6.050 5.715 1.00 0.00 H new ATOM 0 HB2 GLU A 35 34.622 6.727 8.353 1.00 0.00 H new ATOM 0 HB3 GLU A 35 32.964 6.163 8.409 1.00 0.00 H new ATOM 0 HG2 GLU A 35 34.686 4.449 6.723 1.00 0.00 H new ATOM 0 HG3 GLU A 35 35.251 4.544 8.379 1.00 0.00 H new ATOM 589 N THR A 36 31.810 7.500 5.085 1.00 0.00 N ATOM 590 CA THR A 36 30.426 7.618 4.659 1.00 0.00 C ATOM 591 C THR A 36 30.085 6.522 3.647 1.00 0.00 C ATOM 592 O THR A 36 29.395 6.776 2.661 1.00 0.00 O ATOM 593 CB THR A 36 30.217 9.033 4.116 1.00 0.00 C ATOM 594 OG1 THR A 36 31.043 9.848 4.944 1.00 0.00 O ATOM 595 CG2 THR A 36 28.802 9.555 4.372 1.00 0.00 C ATOM 0 H THR A 36 32.472 8.056 4.544 1.00 0.00 H new ATOM 0 HA THR A 36 29.741 7.471 5.494 1.00 0.00 H new ATOM 0 HB THR A 36 30.420 9.045 3.045 1.00 0.00 H new ATOM 0 HG1 THR A 36 30.969 10.783 4.660 1.00 0.00 H new ATOM 0 HG21 THR A 36 28.707 10.563 3.967 1.00 0.00 H new ATOM 0 HG22 THR A 36 28.079 8.899 3.887 1.00 0.00 H new ATOM 0 HG23 THR A 36 28.610 9.576 5.445 1.00 0.00 H new ATOM 603 N TRP A 37 30.583 5.327 3.927 1.00 0.00 N ATOM 604 CA TRP A 37 30.339 4.191 3.053 1.00 0.00 C ATOM 605 C TRP A 37 30.160 2.950 3.930 1.00 0.00 C ATOM 606 O TRP A 37 30.131 1.829 3.425 1.00 0.00 O ATOM 607 CB TRP A 37 31.462 4.040 2.025 1.00 0.00 C ATOM 608 CG TRP A 37 32.270 5.318 1.793 1.00 0.00 C ATOM 609 CD1 TRP A 37 33.373 5.724 2.436 1.00 0.00 C ATOM 610 CD2 TRP A 37 31.992 6.346 0.820 1.00 0.00 C ATOM 611 NE1 TRP A 37 33.825 6.935 1.950 1.00 0.00 N ATOM 612 CE2 TRP A 37 32.958 7.325 0.936 1.00 0.00 C ATOM 613 CE3 TRP A 37 30.958 6.447 -0.128 1.00 0.00 C ATOM 614 CZ2 TRP A 37 32.986 8.474 0.136 1.00 0.00 C ATOM 615 CZ3 TRP A 37 31.000 7.601 -0.920 1.00 0.00 C ATOM 616 CH2 TRP A 37 31.966 8.595 -0.815 1.00 0.00 C ATOM 0 H TRP A 37 31.154 5.120 4.746 1.00 0.00 H new ATOM 0 HA TRP A 37 29.430 4.340 2.471 1.00 0.00 H new ATOM 0 HB2 TRP A 37 32.137 3.250 2.354 1.00 0.00 H new ATOM 0 HB3 TRP A 37 31.032 3.717 1.077 1.00 0.00 H new ATOM 0 HD1 TRP A 37 33.849 5.173 3.234 1.00 0.00 H new ATOM 0 HE1 TRP A 37 34.644 7.449 2.275 1.00 0.00 H new ATOM 0 HE3 TRP A 37 30.192 5.694 -0.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 33.753 9.226 0.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 30.228 7.728 -1.664 1.00 0.00 H new ATOM 0 HH2 TRP A 37 31.930 9.457 -1.464 1.00 0.00 H new ATOM 627 N LEU A 38 30.044 3.193 5.227 1.00 0.00 N ATOM 628 CA LEU A 38 29.868 2.109 6.178 1.00 0.00 C ATOM 629 C LEU A 38 28.863 2.535 7.250 1.00 0.00 C ATOM 630 O LEU A 38 28.030 1.737 7.678 1.00 0.00 O ATOM 631 CB LEU A 38 31.219 1.668 6.744 1.00 0.00 C ATOM 632 CG LEU A 38 32.408 1.754 5.784 1.00 0.00 C ATOM 633 CD1 LEU A 38 32.191 0.860 4.561 1.00 0.00 C ATOM 634 CD2 LEU A 38 32.691 3.205 5.390 1.00 0.00 C ATOM 0 H LEU A 38 30.068 4.125 5.642 1.00 0.00 H new ATOM 0 HA LEU A 38 29.454 1.231 5.682 1.00 0.00 H new ATOM 0 HB2 LEU A 38 31.440 2.277 7.620 1.00 0.00 H new ATOM 0 HB3 LEU A 38 31.128 0.637 7.087 1.00 0.00 H new ATOM 0 HG LEU A 38 33.292 1.383 6.302 1.00 0.00 H new ATOM 0 HD11 LEU A 38 33.050 0.940 3.895 1.00 0.00 H new ATOM 0 HD12 LEU A 38 32.076 -0.175 4.883 1.00 0.00 H new ATOM 0 HD13 LEU A 38 31.292 1.178 4.033 1.00 0.00 H new ATOM 0 HD21 LEU A 38 33.540 3.238 4.708 1.00 0.00 H new ATOM 0 HD22 LEU A 38 31.814 3.626 4.898 1.00 0.00 H new ATOM 0 HD23 LEU A 38 32.921 3.786 6.283 1.00 0.00 H new ATOM 646 N ILE A 39 28.974 3.792 7.654 1.00 0.00 N ATOM 647 CA ILE A 39 28.085 4.334 8.668 1.00 0.00 C ATOM 648 C ILE A 39 26.905 5.029 7.987 1.00 0.00 C ATOM 649 O ILE A 39 25.885 5.293 8.622 1.00 0.00 O ATOM 650 CB ILE A 39 28.858 5.237 9.631 1.00 0.00 C ATOM 651 CG1 ILE A 39 29.776 6.194 8.868 1.00 0.00 C ATOM 652 CG2 ILE A 39 29.625 4.409 10.664 1.00 0.00 C ATOM 653 CD1 ILE A 39 29.778 7.582 9.511 1.00 0.00 C ATOM 0 H ILE A 39 29.666 4.451 7.297 1.00 0.00 H new ATOM 0 HA ILE A 39 27.673 3.532 9.281 1.00 0.00 H new ATOM 0 HB ILE A 39 28.139 5.847 10.178 1.00 0.00 H new ATOM 0 HG12 ILE A 39 30.790 5.795 8.852 1.00 0.00 H new ATOM 0 HG13 ILE A 39 29.447 6.270 7.832 1.00 0.00 H new ATOM 0 HG21 ILE A 39 30.166 5.076 11.336 1.00 0.00 H new ATOM 0 HG22 ILE A 39 28.924 3.805 11.239 1.00 0.00 H new ATOM 0 HG23 ILE A 39 30.333 3.756 10.154 1.00 0.00 H new ATOM 0 HD11 ILE A 39 30.438 8.242 8.949 1.00 0.00 H new ATOM 0 HD12 ILE A 39 28.766 7.988 9.503 1.00 0.00 H new ATOM 0 HD13 ILE A 39 30.131 7.506 10.540 1.00 0.00 H new ATOM 665 N TYR A 40 27.083 5.305 6.703 1.00 0.00 N ATOM 666 CA TYR A 40 26.045 5.964 5.929 1.00 0.00 C ATOM 667 C TYR A 40 24.740 5.167 5.970 1.00 0.00 C ATOM 668 O TYR A 40 24.631 4.185 6.704 1.00 0.00 O ATOM 669 CB TYR A 40 26.557 6.008 4.488 1.00 0.00 C ATOM 670 CG TYR A 40 26.328 4.712 3.707 1.00 0.00 C ATOM 671 CD1 TYR A 40 26.555 3.492 4.312 1.00 0.00 C ATOM 672 CD2 TYR A 40 25.895 4.762 2.398 1.00 0.00 C ATOM 673 CE1 TYR A 40 26.340 2.273 3.577 1.00 0.00 C ATOM 674 CE2 TYR A 40 25.679 3.543 1.663 1.00 0.00 C ATOM 675 CZ TYR A 40 25.913 2.358 2.289 1.00 0.00 C ATOM 676 OH TYR A 40 25.709 1.206 1.595 1.00 0.00 O ATOM 0 H TYR A 40 27.930 5.084 6.180 1.00 0.00 H new ATOM 0 HA TYR A 40 25.839 6.956 6.330 1.00 0.00 H new ATOM 0 HB2 TYR A 40 26.066 6.828 3.964 1.00 0.00 H new ATOM 0 HB3 TYR A 40 27.624 6.230 4.499 1.00 0.00 H new ATOM 0 HD1 TYR A 40 26.894 3.452 5.337 1.00 0.00 H new ATOM 0 HD2 TYR A 40 25.718 5.716 1.924 1.00 0.00 H new ATOM 0 HE1 TYR A 40 26.514 1.312 4.039 1.00 0.00 H new ATOM 0 HE2 TYR A 40 25.339 3.569 0.638 1.00 0.00 H new ATOM 0 HH TYR A 40 25.404 1.420 0.689 1.00 0.00 H new ATOM 686 N LYS A 41 23.782 5.618 5.173 1.00 0.00 N ATOM 687 CA LYS A 41 22.489 4.959 5.109 1.00 0.00 C ATOM 688 C LYS A 41 22.065 4.817 3.646 1.00 0.00 C ATOM 689 O LYS A 41 22.002 5.805 2.916 1.00 0.00 O ATOM 690 CB LYS A 41 21.468 5.697 5.977 1.00 0.00 C ATOM 691 CG LYS A 41 21.698 5.409 7.462 1.00 0.00 C ATOM 692 CD LYS A 41 22.611 6.464 8.090 1.00 0.00 C ATOM 693 CE LYS A 41 21.998 7.024 9.374 1.00 0.00 C ATOM 694 NZ LYS A 41 21.597 8.436 9.184 1.00 0.00 N ATOM 0 H LYS A 41 23.876 6.432 4.566 1.00 0.00 H new ATOM 0 HA LYS A 41 22.554 3.952 5.521 1.00 0.00 H new ATOM 0 HB2 LYS A 41 21.540 6.769 5.796 1.00 0.00 H new ATOM 0 HB3 LYS A 41 20.460 5.393 5.696 1.00 0.00 H new ATOM 0 HG2 LYS A 41 20.742 5.392 7.985 1.00 0.00 H new ATOM 0 HG3 LYS A 41 22.143 4.421 7.580 1.00 0.00 H new ATOM 0 HD2 LYS A 41 23.584 6.024 8.309 1.00 0.00 H new ATOM 0 HD3 LYS A 41 22.780 7.274 7.380 1.00 0.00 H new ATOM 0 HE2 LYS A 41 21.131 6.429 9.660 1.00 0.00 H new ATOM 0 HE3 LYS A 41 22.717 6.951 10.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 21.183 8.801 10.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 22.432 9.003 8.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 20.894 8.497 8.420 1.00 0.00 H new ATOM 707 N ASN A 42 21.786 3.580 3.261 1.00 0.00 N ATOM 708 CA ASN A 42 21.370 3.297 1.898 1.00 0.00 C ATOM 709 C ASN A 42 19.856 3.080 1.866 1.00 0.00 C ATOM 710 O ASN A 42 19.139 3.789 1.162 1.00 0.00 O ATOM 711 CB ASN A 42 22.041 2.027 1.371 1.00 0.00 C ATOM 712 CG ASN A 42 21.424 1.594 0.039 1.00 0.00 C ATOM 713 OD1 ASN A 42 20.384 0.959 -0.015 1.00 0.00 O ATOM 714 ND2 ASN A 42 22.122 1.971 -1.028 1.00 0.00 N ATOM 0 H ASN A 42 21.840 2.763 3.869 1.00 0.00 H new ATOM 0 HA ASN A 42 21.658 4.143 1.274 1.00 0.00 H new ATOM 0 HB2 ASN A 42 23.109 2.202 1.241 1.00 0.00 H new ATOM 0 HB3 ASN A 42 21.936 1.226 2.102 1.00 0.00 H new ATOM 0 HD21 ASN A 42 21.794 1.730 -1.963 1.00 0.00 H new ATOM 0 HD22 ASN A 42 22.985 2.501 -0.911 1.00 0.00 H new ATOM 721 N THR A 43 19.415 2.098 2.638 1.00 0.00 N ATOM 722 CA THR A 43 17.999 1.779 2.706 1.00 0.00 C ATOM 723 C THR A 43 17.163 3.060 2.696 1.00 0.00 C ATOM 724 O THR A 43 17.581 4.083 3.235 1.00 0.00 O ATOM 725 CB THR A 43 17.769 0.914 3.947 1.00 0.00 C ATOM 726 OG1 THR A 43 16.415 0.484 3.824 1.00 0.00 O ATOM 727 CG2 THR A 43 17.785 1.730 5.241 1.00 0.00 C ATOM 0 H THR A 43 20.013 1.513 3.222 1.00 0.00 H new ATOM 0 HA THR A 43 17.679 1.212 1.832 1.00 0.00 H new ATOM 0 HB THR A 43 18.535 0.140 3.997 1.00 0.00 H new ATOM 0 HG1 THR A 43 16.182 -0.085 4.587 1.00 0.00 H new ATOM 0 HG21 THR A 43 17.617 1.068 6.091 1.00 0.00 H new ATOM 0 HG22 THR A 43 18.752 2.221 5.349 1.00 0.00 H new ATOM 0 HG23 THR A 43 16.997 2.483 5.206 1.00 0.00 H new ATOM 735 N LYS A 44 15.996 2.962 2.076 1.00 0.00 N ATOM 736 CA LYS A 44 15.097 4.101 1.988 1.00 0.00 C ATOM 737 C LYS A 44 15.755 5.201 1.153 1.00 0.00 C ATOM 738 O LYS A 44 16.678 5.869 1.617 1.00 0.00 O ATOM 739 CB LYS A 44 14.674 4.559 3.385 1.00 0.00 C ATOM 740 CG LYS A 44 13.611 3.626 3.969 1.00 0.00 C ATOM 741 CD LYS A 44 12.235 4.295 3.969 1.00 0.00 C ATOM 742 CE LYS A 44 11.217 3.457 3.193 1.00 0.00 C ATOM 743 NZ LYS A 44 9.868 3.600 3.785 1.00 0.00 N ATOM 0 H LYS A 44 15.652 2.112 1.630 1.00 0.00 H new ATOM 0 HA LYS A 44 14.176 3.821 1.477 1.00 0.00 H new ATOM 0 HB2 LYS A 44 15.543 4.583 4.043 1.00 0.00 H new ATOM 0 HB3 LYS A 44 14.284 5.575 3.336 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.571 2.705 3.388 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.885 3.349 4.987 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.893 4.431 4.995 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.309 5.287 3.524 1.00 0.00 H new ATOM 0 HE2 LYS A 44 11.198 3.772 2.150 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.516 2.409 3.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.190 3.025 3.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.887 3.278 4.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.578 4.598 3.752 1.00 0.00 H new ATOM 756 N LEU A 45 15.255 5.356 -0.064 1.00 0.00 N ATOM 757 CA LEU A 45 15.782 6.365 -0.967 1.00 0.00 C ATOM 758 C LEU A 45 14.646 6.913 -1.832 1.00 0.00 C ATOM 759 O LEU A 45 14.680 6.795 -3.056 1.00 0.00 O ATOM 760 CB LEU A 45 16.953 5.800 -1.775 1.00 0.00 C ATOM 761 CG LEU A 45 16.594 4.756 -2.835 1.00 0.00 C ATOM 762 CD1 LEU A 45 16.642 5.361 -4.239 1.00 0.00 C ATOM 763 CD2 LEU A 45 17.489 3.521 -2.712 1.00 0.00 C ATOM 0 H LEU A 45 14.490 4.800 -0.446 1.00 0.00 H new ATOM 0 HA LEU A 45 16.188 7.206 -0.404 1.00 0.00 H new ATOM 0 HB2 LEU A 45 17.462 6.628 -2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 45 17.666 5.354 -1.081 1.00 0.00 H new ATOM 0 HG LEU A 45 15.569 4.430 -2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 45 16.383 4.598 -4.973 1.00 0.00 H new ATOM 0 HD12 LEU A 45 15.931 6.184 -4.305 1.00 0.00 H new ATOM 0 HD13 LEU A 45 17.647 5.732 -4.441 1.00 0.00 H new ATOM 0 HD21 LEU A 45 17.214 2.794 -3.476 1.00 0.00 H new ATOM 0 HD22 LEU A 45 18.531 3.812 -2.846 1.00 0.00 H new ATOM 0 HD23 LEU A 45 17.361 3.076 -1.725 1.00 0.00 H new ATOM 775 N VAL A 46 13.666 7.502 -1.162 1.00 0.00 N ATOM 776 CA VAL A 46 12.521 8.069 -1.854 1.00 0.00 C ATOM 777 C VAL A 46 12.155 9.409 -1.213 1.00 0.00 C ATOM 778 O VAL A 46 11.650 9.447 -0.092 1.00 0.00 O ATOM 779 CB VAL A 46 11.362 7.070 -1.855 1.00 0.00 C ATOM 780 CG1 VAL A 46 10.836 6.840 -0.436 1.00 0.00 C ATOM 781 CG2 VAL A 46 10.241 7.531 -2.788 1.00 0.00 C ATOM 0 H VAL A 46 13.641 7.599 -0.147 1.00 0.00 H new ATOM 0 HA VAL A 46 12.765 8.264 -2.898 1.00 0.00 H new ATOM 0 HB VAL A 46 11.739 6.119 -2.231 1.00 0.00 H new ATOM 0 HG11 VAL A 46 10.013 6.126 -0.464 1.00 0.00 H new ATOM 0 HG12 VAL A 46 11.637 6.446 0.189 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.483 7.784 -0.021 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.430 6.803 -2.770 1.00 0.00 H new ATOM 0 HG22 VAL A 46 9.867 8.499 -2.456 1.00 0.00 H new ATOM 0 HG23 VAL A 46 10.626 7.620 -3.804 1.00 0.00 H new ATOM 791 N LYS A 47 12.425 10.475 -1.951 1.00 0.00 N ATOM 792 CA LYS A 47 12.131 11.814 -1.468 1.00 0.00 C ATOM 793 C LYS A 47 10.728 12.219 -1.925 1.00 0.00 C ATOM 794 O LYS A 47 10.240 11.736 -2.945 1.00 0.00 O ATOM 795 CB LYS A 47 13.225 12.792 -1.901 1.00 0.00 C ATOM 796 CG LYS A 47 13.144 13.076 -3.402 1.00 0.00 C ATOM 797 CD LYS A 47 14.090 12.164 -4.185 1.00 0.00 C ATOM 798 CE LYS A 47 13.355 11.464 -5.330 1.00 0.00 C ATOM 799 NZ LYS A 47 14.113 10.277 -5.783 1.00 0.00 N ATOM 0 H LYS A 47 12.844 10.439 -2.880 1.00 0.00 H new ATOM 0 HA LYS A 47 12.131 11.835 -0.378 1.00 0.00 H new ATOM 0 HB2 LYS A 47 13.125 13.724 -1.345 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.204 12.379 -1.658 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.121 12.929 -3.749 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.398 14.119 -3.593 1.00 0.00 H new ATOM 0 HD2 LYS A 47 14.918 12.750 -4.584 1.00 0.00 H new ATOM 0 HD3 LYS A 47 14.520 11.419 -3.515 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.360 11.164 -5.002 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.221 12.156 -6.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.600 9.814 -6.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 15.053 10.572 -6.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.219 9.610 -4.992 1.00 0.00 H new ATOM 812 N LYS A 48 10.119 13.101 -1.147 1.00 0.00 N ATOM 813 CA LYS A 48 8.782 13.577 -1.458 1.00 0.00 C ATOM 814 C LYS A 48 8.785 14.220 -2.846 1.00 0.00 C ATOM 815 O LYS A 48 9.462 15.223 -3.069 1.00 0.00 O ATOM 816 CB LYS A 48 8.271 14.503 -0.352 1.00 0.00 C ATOM 817 CG LYS A 48 9.302 15.586 -0.025 1.00 0.00 C ATOM 818 CD LYS A 48 8.816 16.962 -0.484 1.00 0.00 C ATOM 819 CE LYS A 48 7.943 17.620 0.586 1.00 0.00 C ATOM 820 NZ LYS A 48 7.050 18.631 -0.024 1.00 0.00 N ATOM 0 H LYS A 48 10.527 13.499 -0.301 1.00 0.00 H new ATOM 0 HA LYS A 48 8.080 12.744 -1.493 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.336 14.968 -0.665 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.053 13.921 0.543 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.490 15.602 1.049 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.249 15.350 -0.511 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.672 17.600 -0.702 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.249 16.861 -1.410 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.349 16.862 1.096 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.574 18.091 1.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.464 19.068 0.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.622 19.363 -0.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.435 18.173 -0.726 1.00 0.00 H new ATOM 833 N ILE A 49 8.020 13.617 -3.744 1.00 0.00 N ATOM 834 CA ILE A 49 7.925 14.118 -5.105 1.00 0.00 C ATOM 835 C ILE A 49 7.500 15.588 -5.074 1.00 0.00 C ATOM 836 O ILE A 49 7.263 16.147 -4.004 1.00 0.00 O ATOM 837 CB ILE A 49 7.003 13.229 -5.941 1.00 0.00 C ATOM 838 CG1 ILE A 49 5.565 13.290 -5.423 1.00 0.00 C ATOM 839 CG2 ILE A 49 7.530 11.794 -6.000 1.00 0.00 C ATOM 840 CD1 ILE A 49 4.574 13.474 -6.574 1.00 0.00 C ATOM 0 H ILE A 49 7.460 12.786 -3.556 1.00 0.00 H new ATOM 0 HA ILE A 49 8.898 14.077 -5.595 1.00 0.00 H new ATOM 0 HB ILE A 49 6.994 13.611 -6.962 1.00 0.00 H new ATOM 0 HG12 ILE A 49 5.331 12.374 -4.880 1.00 0.00 H new ATOM 0 HG13 ILE A 49 5.464 14.114 -4.716 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.856 11.183 -6.600 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.522 11.789 -6.451 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.588 11.386 -4.991 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.559 13.514 -6.178 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.795 14.403 -7.100 1.00 0.00 H new ATOM 0 HD13 ILE A 49 4.660 12.636 -7.266 1.00 0.00 H new ATOM 852 N ASP A 50 7.417 16.172 -6.261 1.00 0.00 N ATOM 853 CA ASP A 50 7.025 17.565 -6.383 1.00 0.00 C ATOM 854 C ASP A 50 6.386 17.792 -7.754 1.00 0.00 C ATOM 855 O ASP A 50 5.165 17.728 -7.892 1.00 0.00 O ATOM 856 CB ASP A 50 8.238 18.491 -6.268 1.00 0.00 C ATOM 857 CG ASP A 50 8.473 19.080 -4.875 1.00 0.00 C ATOM 858 OD1 ASP A 50 8.062 20.213 -4.583 1.00 0.00 O ATOM 859 OD2 ASP A 50 9.116 18.313 -4.061 1.00 0.00 O ATOM 0 H ASP A 50 7.615 15.705 -7.146 1.00 0.00 H new ATOM 0 HA ASP A 50 6.323 17.789 -5.580 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.128 17.938 -6.567 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.119 19.310 -6.977 1.00 0.00 H new ATOM 865 N HIS A 51 7.239 18.053 -8.734 1.00 0.00 N ATOM 866 CA HIS A 51 6.772 18.290 -10.089 1.00 0.00 C ATOM 867 C HIS A 51 6.057 19.641 -10.157 1.00 0.00 C ATOM 868 O HIS A 51 4.834 19.706 -10.047 1.00 0.00 O ATOM 869 CB HIS A 51 5.898 17.131 -10.573 1.00 0.00 C ATOM 870 CG HIS A 51 6.578 16.223 -11.569 1.00 0.00 C ATOM 871 ND1 HIS A 51 6.515 16.429 -12.937 1.00 0.00 N ATOM 872 CD2 HIS A 51 7.337 15.105 -11.383 1.00 0.00 C ATOM 873 CE1 HIS A 51 7.206 15.472 -13.537 1.00 0.00 C ATOM 874 NE2 HIS A 51 7.715 14.652 -12.572 1.00 0.00 N ATOM 0 H HIS A 51 8.251 18.105 -8.616 1.00 0.00 H new ATOM 0 HA HIS A 51 7.623 18.335 -10.768 1.00 0.00 H new ATOM 0 HB2 HIS A 51 5.587 16.540 -9.712 1.00 0.00 H new ATOM 0 HB3 HIS A 51 4.993 17.536 -11.025 1.00 0.00 H new ATOM 0 HD2 HIS A 51 7.588 14.663 -10.430 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.343 15.360 -14.602 1.00 0.00 H new ATOM 0 HE2 HIS A 51 8.291 13.827 -12.737 1.00 0.00 H new ATOM 882 N ALA A 52 6.851 20.686 -10.338 1.00 0.00 N ATOM 883 CA ALA A 52 6.309 22.032 -10.422 1.00 0.00 C ATOM 884 C ALA A 52 7.454 23.026 -10.631 1.00 0.00 C ATOM 885 O ALA A 52 8.538 22.854 -10.077 1.00 0.00 O ATOM 886 CB ALA A 52 5.497 22.335 -9.161 1.00 0.00 C ATOM 0 H ALA A 52 7.865 20.628 -10.429 1.00 0.00 H new ATOM 0 HA ALA A 52 5.635 22.122 -11.274 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.090 23.344 -9.224 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.679 21.619 -9.074 1.00 0.00 H new ATOM 0 HB3 ALA A 52 6.142 22.257 -8.286 1.00 0.00 H new ATOM 892 N LYS A 53 7.172 24.043 -11.432 1.00 0.00 N ATOM 893 CA LYS A 53 8.165 25.064 -11.721 1.00 0.00 C ATOM 894 C LYS A 53 7.760 26.371 -11.036 1.00 0.00 C ATOM 895 O LYS A 53 8.612 27.107 -10.541 1.00 0.00 O ATOM 896 CB LYS A 53 8.370 25.200 -13.231 1.00 0.00 C ATOM 897 CG LYS A 53 7.028 25.263 -13.963 1.00 0.00 C ATOM 898 CD LYS A 53 6.596 23.873 -14.437 1.00 0.00 C ATOM 899 CE LYS A 53 5.142 23.884 -14.912 1.00 0.00 C ATOM 900 NZ LYS A 53 4.248 23.360 -13.855 1.00 0.00 N ATOM 0 H LYS A 53 6.271 24.182 -11.890 1.00 0.00 H new ATOM 0 HA LYS A 53 9.135 24.777 -11.315 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.947 26.100 -13.444 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.950 24.355 -13.600 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.268 25.678 -13.301 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.107 25.934 -14.818 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.245 23.543 -15.248 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.712 23.155 -13.625 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.847 24.900 -15.176 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.043 23.279 -15.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.265 23.374 -14.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.520 22.383 -13.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.330 23.954 -13.005 1.00 0.00 H new ATOM 913 N VAL A 54 6.458 26.620 -11.030 1.00 0.00 N ATOM 914 CA VAL A 54 5.930 27.825 -10.414 1.00 0.00 C ATOM 915 C VAL A 54 4.503 27.561 -9.929 1.00 0.00 C ATOM 916 O VAL A 54 3.715 28.493 -9.771 1.00 0.00 O ATOM 917 CB VAL A 54 6.021 28.997 -11.393 1.00 0.00 C ATOM 918 CG1 VAL A 54 4.901 28.931 -12.433 1.00 0.00 C ATOM 919 CG2 VAL A 54 6.002 30.335 -10.651 1.00 0.00 C ATOM 0 H VAL A 54 5.754 26.008 -11.442 1.00 0.00 H new ATOM 0 HA VAL A 54 6.524 28.100 -9.543 1.00 0.00 H new ATOM 0 HB VAL A 54 6.972 28.920 -11.920 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.989 29.776 -13.116 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.980 28.000 -12.994 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.935 28.970 -11.930 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.068 31.151 -11.371 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.075 30.424 -10.085 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.850 30.384 -9.968 1.00 0.00 H new ATOM 929 N ARG A 55 4.214 26.288 -9.706 1.00 0.00 N ATOM 930 CA ARG A 55 2.895 25.890 -9.243 1.00 0.00 C ATOM 931 C ARG A 55 1.851 26.145 -10.331 1.00 0.00 C ATOM 932 O ARG A 55 1.776 27.243 -10.879 1.00 0.00 O ATOM 933 CB ARG A 55 2.502 26.655 -7.978 1.00 0.00 C ATOM 934 CG ARG A 55 1.992 25.702 -6.896 1.00 0.00 C ATOM 935 CD ARG A 55 2.752 25.904 -5.584 1.00 0.00 C ATOM 936 NE ARG A 55 2.414 27.221 -5.000 1.00 0.00 N ATOM 937 CZ ARG A 55 1.325 27.454 -4.238 1.00 0.00 C ATOM 938 NH1 ARG A 55 0.458 26.458 -3.959 1.00 0.00 N ATOM 939 NH2 ARG A 55 1.120 28.671 -3.768 1.00 0.00 N ATOM 0 H ARG A 55 4.870 25.518 -9.837 1.00 0.00 H new ATOM 0 HA ARG A 55 2.931 24.825 -9.013 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.362 27.210 -7.603 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.730 27.386 -8.216 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.927 25.868 -6.733 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.106 24.671 -7.231 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.499 25.110 -4.882 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.825 25.841 -5.763 1.00 0.00 H new ATOM 0 HE ARG A 55 3.044 28.002 -5.185 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.623 25.520 -4.325 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -0.363 26.643 -3.382 1.00 0.00 H new ATOM 0 HH21 ARG A 55 1.780 29.418 -3.983 1.00 0.00 H new ATOM 0 HH22 ARG A 55 0.302 28.864 -3.191 1.00 0.00 H new ATOM 952 N LYS A 56 1.070 25.111 -10.611 1.00 0.00 N ATOM 953 CA LYS A 56 0.033 25.210 -11.624 1.00 0.00 C ATOM 954 C LYS A 56 -1.198 25.892 -11.023 1.00 0.00 C ATOM 955 O LYS A 56 -1.392 25.872 -9.809 1.00 0.00 O ATOM 956 CB LYS A 56 -0.260 23.834 -12.226 1.00 0.00 C ATOM 957 CG LYS A 56 -0.908 22.910 -11.194 1.00 0.00 C ATOM 958 CD LYS A 56 -2.189 22.283 -11.748 1.00 0.00 C ATOM 959 CE LYS A 56 -3.429 22.930 -11.127 1.00 0.00 C ATOM 960 NZ LYS A 56 -4.312 21.900 -10.536 1.00 0.00 N ATOM 0 H LYS A 56 1.135 24.201 -10.154 1.00 0.00 H new ATOM 0 HA LYS A 56 0.369 25.832 -12.454 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.920 23.943 -13.087 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.666 23.387 -12.589 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.207 22.125 -10.913 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.136 23.473 -10.289 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.217 22.401 -12.831 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.192 21.212 -11.544 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.128 23.643 -10.359 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.973 23.491 -11.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.148 22.357 -10.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.614 21.235 -11.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.795 21.383 -9.796 1.00 0.00 H new ATOM 973 N HIS A 57 -1.997 26.480 -11.901 1.00 0.00 N ATOM 974 CA HIS A 57 -3.203 27.167 -11.473 1.00 0.00 C ATOM 975 C HIS A 57 -3.937 27.725 -12.694 1.00 0.00 C ATOM 976 O HIS A 57 -3.749 28.884 -13.060 1.00 0.00 O ATOM 977 CB HIS A 57 -2.876 28.243 -10.435 1.00 0.00 C ATOM 978 CG HIS A 57 -1.706 29.121 -10.809 1.00 0.00 C ATOM 979 ND1 HIS A 57 -1.832 30.231 -11.626 1.00 0.00 N ATOM 980 CD2 HIS A 57 -0.387 29.042 -10.469 1.00 0.00 C ATOM 981 CE1 HIS A 57 -0.637 30.787 -11.765 1.00 0.00 C ATOM 982 NE2 HIS A 57 0.257 30.048 -11.048 1.00 0.00 N ATOM 0 H HIS A 57 -1.832 26.495 -12.908 1.00 0.00 H new ATOM 0 HA HIS A 57 -3.873 26.461 -10.981 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -3.755 28.870 -10.287 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.665 27.761 -9.481 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -2.698 30.565 -12.049 1.00 0.00 H new ATOM 0 HD2 HIS A 57 0.058 28.288 -9.836 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.411 31.670 -12.344 1.00 0.00 H new ATOM 990 N GLN A 58 -4.758 26.873 -13.290 1.00 0.00 N ATOM 991 CA GLN A 58 -5.522 27.266 -14.462 1.00 0.00 C ATOM 992 C GLN A 58 -6.900 27.787 -14.048 1.00 0.00 C ATOM 993 O GLN A 58 -7.279 27.690 -12.882 1.00 0.00 O ATOM 994 CB GLN A 58 -5.649 26.103 -15.449 1.00 0.00 C ATOM 995 CG GLN A 58 -4.333 25.868 -16.192 1.00 0.00 C ATOM 996 CD GLN A 58 -4.587 25.317 -17.596 1.00 0.00 C ATOM 997 OE1 GLN A 58 -5.619 24.734 -17.885 1.00 0.00 O ATOM 998 NE2 GLN A 58 -3.591 25.532 -18.451 1.00 0.00 N ATOM 0 H GLN A 58 -4.911 25.912 -12.983 1.00 0.00 H new ATOM 0 HA GLN A 58 -4.988 28.071 -14.966 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.936 25.197 -14.914 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -6.443 26.315 -16.166 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.777 26.803 -16.260 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.714 25.169 -15.630 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.754 26.027 -18.144 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.665 25.202 -19.413 1.00 0.00 H new ATOM 1007 N ARG A 59 -7.610 28.329 -15.026 1.00 0.00 N ATOM 1008 CA ARG A 59 -8.938 28.866 -14.778 1.00 0.00 C ATOM 1009 C ARG A 59 -9.907 28.411 -15.871 1.00 0.00 C ATOM 1010 O ARG A 59 -9.488 27.854 -16.885 1.00 0.00 O ATOM 1011 CB ARG A 59 -8.914 30.395 -14.731 1.00 0.00 C ATOM 1012 CG ARG A 59 -8.490 30.978 -16.080 1.00 0.00 C ATOM 1013 CD ARG A 59 -8.273 32.490 -15.980 1.00 0.00 C ATOM 1014 NE ARG A 59 -6.824 32.791 -15.940 1.00 0.00 N ATOM 1015 CZ ARG A 59 -6.059 32.978 -17.036 1.00 0.00 C ATOM 1016 NH1 ARG A 59 -6.599 32.896 -18.270 1.00 0.00 N ATOM 1017 NH2 ARG A 59 -4.775 33.243 -16.883 1.00 0.00 N ATOM 0 H ARG A 59 -7.291 28.408 -15.992 1.00 0.00 H new ATOM 0 HA ARG A 59 -9.273 28.490 -13.811 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -9.902 30.770 -14.463 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -8.225 30.728 -13.954 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.572 30.497 -16.416 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -9.253 30.765 -16.828 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.733 32.989 -16.833 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.758 32.877 -15.084 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.376 32.861 -15.027 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -7.592 32.691 -18.379 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.014 33.039 -19.093 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.375 33.304 -15.947 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.183 33.387 -17.701 1.00 0.00 H new ATOM 1030 N LYS A 60 -11.184 28.667 -15.629 1.00 0.00 N ATOM 1031 CA LYS A 60 -12.216 28.291 -16.580 1.00 0.00 C ATOM 1032 C LYS A 60 -13.359 29.306 -16.514 1.00 0.00 C ATOM 1033 O LYS A 60 -13.318 30.241 -15.716 1.00 0.00 O ATOM 1034 CB LYS A 60 -12.663 26.847 -16.343 1.00 0.00 C ATOM 1035 CG LYS A 60 -13.560 26.745 -15.108 1.00 0.00 C ATOM 1036 CD LYS A 60 -12.737 26.850 -13.823 1.00 0.00 C ATOM 1037 CE LYS A 60 -13.214 25.834 -12.783 1.00 0.00 C ATOM 1038 NZ LYS A 60 -12.803 26.252 -11.424 1.00 0.00 N ATOM 0 H LYS A 60 -11.528 29.130 -14.788 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.824 28.317 -17.597 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.200 26.481 -17.218 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.789 26.209 -16.215 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.308 27.538 -15.131 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.099 25.798 -15.123 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.684 26.680 -14.046 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.818 27.858 -13.416 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.299 25.740 -12.829 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.799 24.852 -13.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.135 25.552 -10.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.766 26.319 -11.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.219 27.180 -11.205 1.00 0.00 H new ATOM 1051 N PHE A 61 -14.351 29.088 -17.365 1.00 0.00 N ATOM 1052 CA PHE A 61 -15.503 29.973 -17.413 1.00 0.00 C ATOM 1053 C PHE A 61 -16.636 29.353 -18.233 1.00 0.00 C ATOM 1054 O PHE A 61 -16.546 29.267 -19.457 1.00 0.00 O ATOM 1055 CB PHE A 61 -15.046 31.266 -18.092 1.00 0.00 C ATOM 1056 CG PHE A 61 -14.250 32.200 -17.179 1.00 0.00 C ATOM 1057 CD1 PHE A 61 -14.879 32.867 -16.174 1.00 0.00 C ATOM 1058 CD2 PHE A 61 -12.914 32.364 -17.372 1.00 0.00 C ATOM 1059 CE1 PHE A 61 -14.140 33.735 -15.326 1.00 0.00 C ATOM 1060 CE2 PHE A 61 -12.175 33.232 -16.524 1.00 0.00 C ATOM 1061 CZ PHE A 61 -12.804 33.899 -15.519 1.00 0.00 C ATOM 0 H PHE A 61 -14.381 28.312 -18.026 1.00 0.00 H new ATOM 0 HA PHE A 61 -15.876 30.153 -16.405 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -14.434 31.013 -18.958 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -15.922 31.798 -18.464 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -15.940 32.737 -16.021 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -12.415 31.834 -18.170 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -14.639 34.265 -14.528 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -11.114 33.362 -16.677 1.00 0.00 H new ATOM 0 HZ PHE A 61 -12.242 34.559 -14.874 1.00 0.00 H new ATOM 1071 N LEU A 62 -17.677 28.938 -17.526 1.00 0.00 N ATOM 1072 CA LEU A 62 -18.826 28.329 -18.174 1.00 0.00 C ATOM 1073 C LEU A 62 -20.085 29.122 -17.819 1.00 0.00 C ATOM 1074 O LEU A 62 -20.025 30.075 -17.044 1.00 0.00 O ATOM 1075 CB LEU A 62 -18.916 26.843 -17.819 1.00 0.00 C ATOM 1076 CG LEU A 62 -18.981 26.512 -16.327 1.00 0.00 C ATOM 1077 CD1 LEU A 62 -19.747 25.210 -16.087 1.00 0.00 C ATOM 1078 CD2 LEU A 62 -17.580 26.474 -15.712 1.00 0.00 C ATOM 0 H LEU A 62 -17.749 29.012 -16.511 1.00 0.00 H new ATOM 0 HA LEU A 62 -18.718 28.369 -19.258 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -19.801 26.428 -18.302 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -18.051 26.335 -18.246 1.00 0.00 H new ATOM 0 HG LEU A 62 -19.532 27.307 -15.825 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -19.778 24.998 -15.018 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -20.764 25.311 -16.467 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -19.246 24.392 -16.605 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -17.655 26.237 -14.651 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -16.983 25.712 -16.213 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -17.103 27.446 -15.833 1.00 0.00 H new ATOM 1090 N GLN A 63 -21.196 28.700 -18.405 1.00 0.00 N ATOM 1091 CA GLN A 63 -22.468 29.359 -18.161 1.00 0.00 C ATOM 1092 C GLN A 63 -22.259 30.863 -17.975 1.00 0.00 C ATOM 1093 O GLN A 63 -22.105 31.338 -16.851 1.00 0.00 O ATOM 1094 CB GLN A 63 -23.177 28.751 -16.949 1.00 0.00 C ATOM 1095 CG GLN A 63 -22.790 27.282 -16.768 1.00 0.00 C ATOM 1096 CD GLN A 63 -23.521 26.666 -15.573 1.00 0.00 C ATOM 1097 OE1 GLN A 63 -24.717 26.425 -15.600 1.00 0.00 O ATOM 1098 NE2 GLN A 63 -22.737 26.424 -14.526 1.00 0.00 N ATOM 0 H GLN A 63 -21.242 27.910 -19.048 1.00 0.00 H new ATOM 0 HA GLN A 63 -23.107 29.205 -19.030 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -22.917 29.313 -16.052 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -24.257 28.834 -17.075 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -23.031 26.724 -17.673 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -21.713 27.201 -16.621 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -21.743 26.650 -14.570 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -23.130 26.012 -13.679 1.00 0.00 H new ATOM 1107 N ALA A 64 -22.260 31.571 -19.095 1.00 0.00 N ATOM 1108 CA ALA A 64 -22.072 33.012 -19.070 1.00 0.00 C ATOM 1109 C ALA A 64 -22.131 33.554 -20.500 1.00 0.00 C ATOM 1110 O ALA A 64 -21.126 33.553 -21.209 1.00 0.00 O ATOM 1111 CB ALA A 64 -20.750 33.343 -18.375 1.00 0.00 C ATOM 0 H ALA A 64 -22.388 31.174 -20.026 1.00 0.00 H new ATOM 0 HA ALA A 64 -22.868 33.493 -18.502 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -20.609 34.424 -18.356 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -20.770 32.962 -17.354 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -19.927 32.879 -18.919 1.00 0.00 H new ATOM 1117 N ILE A 65 -23.317 34.005 -20.880 1.00 0.00 N ATOM 1118 CA ILE A 65 -23.519 34.549 -22.212 1.00 0.00 C ATOM 1119 C ILE A 65 -24.262 35.883 -22.106 1.00 0.00 C ATOM 1120 O ILE A 65 -23.660 36.910 -21.796 1.00 0.00 O ATOM 1121 CB ILE A 65 -24.219 33.526 -23.108 1.00 0.00 C ATOM 1122 CG1 ILE A 65 -23.404 32.234 -23.204 1.00 0.00 C ATOM 1123 CG2 ILE A 65 -24.519 34.118 -24.487 1.00 0.00 C ATOM 1124 CD1 ILE A 65 -22.324 32.346 -24.282 1.00 0.00 C ATOM 0 H ILE A 65 -24.148 34.005 -20.289 1.00 0.00 H new ATOM 0 HA ILE A 65 -22.561 34.754 -22.689 1.00 0.00 H new ATOM 0 HB ILE A 65 -25.176 33.271 -22.653 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -22.941 32.020 -22.241 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -24.066 31.398 -23.432 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -25.017 33.370 -25.104 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -25.168 34.987 -24.377 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -23.587 34.420 -24.964 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -21.759 31.415 -24.330 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -22.792 32.536 -25.248 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -21.650 33.167 -24.038 1.00 0.00 H new ATOM 1136 N HIS A 66 -25.559 35.824 -22.369 1.00 0.00 N ATOM 1137 CA HIS A 66 -26.390 37.014 -22.307 1.00 0.00 C ATOM 1138 C HIS A 66 -27.649 36.719 -21.489 1.00 0.00 C ATOM 1139 O HIS A 66 -28.763 36.974 -21.944 1.00 0.00 O ATOM 1140 CB HIS A 66 -26.704 37.531 -23.713 1.00 0.00 C ATOM 1141 CG HIS A 66 -25.730 38.569 -24.217 1.00 0.00 C ATOM 1142 ND1 HIS A 66 -25.740 39.036 -25.520 1.00 0.00 N ATOM 1143 CD2 HIS A 66 -24.718 39.226 -23.580 1.00 0.00 C ATOM 1144 CE1 HIS A 66 -24.773 39.932 -25.650 1.00 0.00 C ATOM 1145 NE2 HIS A 66 -24.140 40.048 -24.447 1.00 0.00 N ATOM 0 H HIS A 66 -26.055 34.970 -22.626 1.00 0.00 H new ATOM 0 HA HIS A 66 -25.849 37.814 -21.801 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -26.712 36.689 -24.405 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -27.707 37.957 -23.717 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -24.435 39.099 -22.545 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -24.528 40.476 -26.551 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -23.353 40.665 -24.247 1.00 0.00 H new ATOM 1153 N GLN A 67 -27.429 36.187 -20.296 1.00 0.00 N ATOM 1154 CA GLN A 67 -28.532 35.855 -19.410 1.00 0.00 C ATOM 1155 C GLN A 67 -29.686 35.243 -20.206 1.00 0.00 C ATOM 1156 O GLN A 67 -30.585 35.956 -20.650 1.00 0.00 O ATOM 1157 CB GLN A 67 -28.996 37.084 -18.628 1.00 0.00 C ATOM 1158 CG GLN A 67 -28.948 36.826 -17.121 1.00 0.00 C ATOM 1159 CD GLN A 67 -28.490 38.075 -16.364 1.00 0.00 C ATOM 1160 OE1 GLN A 67 -27.355 38.511 -16.464 1.00 0.00 O ATOM 1161 NE2 GLN A 67 -29.434 38.624 -15.605 1.00 0.00 N ATOM 0 H GLN A 67 -26.503 35.978 -19.922 1.00 0.00 H new ATOM 0 HA GLN A 67 -28.183 35.117 -18.688 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -28.363 37.937 -18.875 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -30.012 37.345 -18.924 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -29.934 36.524 -16.769 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -28.268 36.000 -16.911 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -30.364 38.207 -15.567 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -29.228 39.462 -15.061 1.00 0.00 H new ATOM 1170 N LEU A 68 -29.624 33.929 -20.363 1.00 0.00 N ATOM 1171 CA LEU A 68 -30.653 33.213 -21.098 1.00 0.00 C ATOM 1172 C LEU A 68 -31.906 33.094 -20.228 1.00 0.00 C ATOM 1173 O LEU A 68 -31.822 32.712 -19.062 1.00 0.00 O ATOM 1174 CB LEU A 68 -30.120 31.868 -21.595 1.00 0.00 C ATOM 1175 CG LEU A 68 -29.043 31.933 -22.680 1.00 0.00 C ATOM 1176 CD1 LEU A 68 -28.224 30.641 -22.717 1.00 0.00 C ATOM 1177 CD2 LEU A 68 -29.657 32.262 -24.042 1.00 0.00 C ATOM 0 H LEU A 68 -28.877 33.341 -19.994 1.00 0.00 H new ATOM 0 HA LEU A 68 -30.937 33.767 -21.993 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -29.716 31.322 -20.742 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -30.959 31.286 -21.978 1.00 0.00 H new ATOM 0 HG LEU A 68 -28.356 32.742 -22.432 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -27.466 30.713 -23.497 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -27.740 30.490 -21.752 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -28.883 29.799 -22.928 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -28.870 32.302 -24.796 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -30.379 31.491 -24.312 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -30.160 33.228 -23.991 1.00 0.00 H new ATOM 1189 N ARG A 69 -33.039 33.430 -20.828 1.00 0.00 N ATOM 1190 CA ARG A 69 -34.307 33.366 -20.122 1.00 0.00 C ATOM 1191 C ARG A 69 -35.446 33.828 -21.034 1.00 0.00 C ATOM 1192 O ARG A 69 -35.239 34.657 -21.919 1.00 0.00 O ATOM 1193 CB ARG A 69 -34.283 34.238 -18.866 1.00 0.00 C ATOM 1194 CG ARG A 69 -34.094 35.713 -19.226 1.00 0.00 C ATOM 1195 CD ARG A 69 -34.090 36.588 -17.970 1.00 0.00 C ATOM 1196 NE ARG A 69 -33.244 37.782 -18.189 1.00 0.00 N ATOM 1197 CZ ARG A 69 -32.636 38.470 -17.199 1.00 0.00 C ATOM 1198 NH1 ARG A 69 -32.775 38.087 -15.912 1.00 0.00 N ATOM 1199 NH2 ARG A 69 -31.903 39.524 -17.508 1.00 0.00 N ATOM 0 H ARG A 69 -33.105 33.747 -21.795 1.00 0.00 H new ATOM 0 HA ARG A 69 -34.470 32.329 -19.827 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -35.214 34.111 -18.313 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -33.476 33.914 -18.209 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -33.156 35.842 -19.766 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -34.893 36.033 -19.894 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -35.108 36.893 -17.726 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -33.715 36.017 -17.120 1.00 0.00 H new ATOM 0 HE ARG A 69 -33.112 38.105 -19.147 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -33.343 37.272 -15.681 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -32.312 38.613 -15.171 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -31.803 39.807 -18.483 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -31.437 40.055 -16.772 1.00 0.00 H new ATOM 1212 N SER A 70 -36.622 33.272 -20.786 1.00 0.00 N ATOM 1213 CA SER A 70 -37.794 33.617 -21.574 1.00 0.00 C ATOM 1214 C SER A 70 -38.597 34.709 -20.865 1.00 0.00 C ATOM 1215 O SER A 70 -38.327 35.034 -19.710 1.00 0.00 O ATOM 1216 CB SER A 70 -38.672 32.388 -21.822 1.00 0.00 C ATOM 1217 OG SER A 70 -39.169 31.833 -20.608 1.00 0.00 O ATOM 0 H SER A 70 -36.789 32.585 -20.051 1.00 0.00 H new ATOM 0 HA SER A 70 -37.459 33.991 -22.541 1.00 0.00 H new ATOM 0 HB2 SER A 70 -39.509 32.664 -22.464 1.00 0.00 H new ATOM 0 HB3 SER A 70 -38.096 31.633 -22.357 1.00 0.00 H new ATOM 0 HG SER A 70 -39.726 31.052 -20.809 1.00 0.00 H new ATOM 1223 N VAL A 71 -39.570 35.246 -21.587 1.00 0.00 N ATOM 1224 CA VAL A 71 -40.415 36.295 -21.042 1.00 0.00 C ATOM 1225 C VAL A 71 -41.769 35.701 -20.650 1.00 0.00 C ATOM 1226 O VAL A 71 -42.735 36.433 -20.441 1.00 0.00 O ATOM 1227 CB VAL A 71 -40.534 37.444 -22.045 1.00 0.00 C ATOM 1228 CG1 VAL A 71 -41.387 37.036 -23.248 1.00 0.00 C ATOM 1229 CG2 VAL A 71 -41.096 38.700 -21.375 1.00 0.00 C ATOM 0 H VAL A 71 -39.792 34.974 -22.545 1.00 0.00 H new ATOM 0 HA VAL A 71 -39.970 36.714 -20.139 1.00 0.00 H new ATOM 0 HB VAL A 71 -39.533 37.677 -22.408 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -41.455 37.871 -23.945 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -40.928 36.183 -23.747 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -42.387 36.763 -22.910 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -41.171 39.502 -22.110 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -42.085 38.485 -20.971 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -40.433 39.009 -20.567 1.00 0.00 H new ATOM 1239 N LYS A 72 -41.797 34.379 -20.562 1.00 0.00 N ATOM 1240 CA LYS A 72 -43.016 33.678 -20.199 1.00 0.00 C ATOM 1241 C LYS A 72 -44.178 34.218 -21.035 1.00 0.00 C ATOM 1242 O LYS A 72 -44.867 35.148 -20.619 1.00 0.00 O ATOM 1243 CB LYS A 72 -43.254 33.762 -18.689 1.00 0.00 C ATOM 1244 CG LYS A 72 -42.795 32.481 -17.990 1.00 0.00 C ATOM 1245 CD LYS A 72 -43.983 31.562 -17.697 1.00 0.00 C ATOM 1246 CE LYS A 72 -43.814 30.861 -16.348 1.00 0.00 C ATOM 1247 NZ LYS A 72 -42.658 29.938 -16.384 1.00 0.00 N ATOM 0 H LYS A 72 -40.994 33.775 -20.736 1.00 0.00 H new ATOM 0 HA LYS A 72 -42.926 32.616 -20.426 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -42.716 34.617 -18.279 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -44.313 33.928 -18.493 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -42.072 31.959 -18.617 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -42.286 32.732 -17.059 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -44.905 32.143 -17.696 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -44.076 30.818 -18.488 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -43.670 31.602 -15.562 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -44.721 30.308 -16.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -42.589 29.433 -15.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -42.786 29.251 -17.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -41.786 30.480 -16.546 1.00 0.00 H new ATOM 1260 N MET A 73 -44.360 33.612 -22.199 1.00 0.00 N ATOM 1261 CA MET A 73 -45.426 34.020 -23.097 1.00 0.00 C ATOM 1262 C MET A 73 -46.676 33.162 -22.891 1.00 0.00 C ATOM 1263 O MET A 73 -46.581 31.942 -22.767 1.00 0.00 O ATOM 1264 CB MET A 73 -44.951 33.892 -24.546 1.00 0.00 C ATOM 1265 CG MET A 73 -43.922 34.972 -24.883 1.00 0.00 C ATOM 1266 SD MET A 73 -44.440 35.879 -26.330 1.00 0.00 S ATOM 1267 CE MET A 73 -44.461 34.559 -27.532 1.00 0.00 C ATOM 0 H MET A 73 -43.786 32.841 -22.541 1.00 0.00 H new ATOM 0 HA MET A 73 -45.681 35.057 -22.880 1.00 0.00 H new ATOM 0 HB2 MET A 73 -44.513 32.906 -24.703 1.00 0.00 H new ATOM 0 HB3 MET A 73 -45.803 33.974 -25.220 1.00 0.00 H new ATOM 0 HG2 MET A 73 -43.807 35.652 -24.039 1.00 0.00 H new ATOM 0 HG3 MET A 73 -42.948 34.515 -25.059 1.00 0.00 H new ATOM 0 HE1 MET A 73 -44.252 34.965 -28.522 1.00 0.00 H new ATOM 0 HE2 MET A 73 -43.702 33.821 -27.275 1.00 0.00 H new ATOM 0 HE3 MET A 73 -45.442 34.085 -27.534 1.00 0.00 H new ATOM 1277 N GLU A 74 -47.818 33.833 -22.860 1.00 0.00 N ATOM 1278 CA GLU A 74 -49.084 33.147 -22.671 1.00 0.00 C ATOM 1279 C GLU A 74 -50.244 34.043 -23.110 1.00 0.00 C ATOM 1280 O GLU A 74 -50.362 35.179 -22.654 1.00 0.00 O ATOM 1281 CB GLU A 74 -49.255 32.701 -21.218 1.00 0.00 C ATOM 1282 CG GLU A 74 -49.429 33.906 -20.291 1.00 0.00 C ATOM 1283 CD GLU A 74 -48.535 33.781 -19.056 1.00 0.00 C ATOM 1284 OE1 GLU A 74 -49.044 33.627 -17.936 1.00 0.00 O ATOM 1285 OE2 GLU A 74 -47.268 33.848 -19.290 1.00 0.00 O ATOM 0 H GLU A 74 -47.893 34.845 -22.963 1.00 0.00 H new ATOM 0 HA GLU A 74 -49.086 32.252 -23.293 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -50.122 32.046 -21.135 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -48.386 32.121 -20.907 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -49.185 34.822 -20.830 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -50.472 33.985 -19.983 1.00 0.00 H new ATOM 1293 N GLN A 75 -51.072 33.498 -23.989 1.00 0.00 N ATOM 1294 CA GLN A 75 -52.218 34.233 -24.494 1.00 0.00 C ATOM 1295 C GLN A 75 -53.037 34.802 -23.334 1.00 0.00 C ATOM 1296 O GLN A 75 -52.783 34.480 -22.174 1.00 0.00 O ATOM 1297 CB GLN A 75 -53.084 33.350 -25.395 1.00 0.00 C ATOM 1298 CG GLN A 75 -53.773 32.250 -24.584 1.00 0.00 C ATOM 1299 CD GLN A 75 -55.163 31.944 -25.147 1.00 0.00 C ATOM 1300 OE1 GLN A 75 -55.361 31.012 -25.909 1.00 0.00 O ATOM 1301 NE2 GLN A 75 -56.111 32.778 -24.729 1.00 0.00 N ATOM 0 H GLN A 75 -50.971 32.555 -24.364 1.00 0.00 H new ATOM 0 HA GLN A 75 -51.853 35.064 -25.098 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -53.834 33.961 -25.897 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -52.466 32.901 -26.173 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -53.164 31.346 -24.599 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -53.858 32.560 -23.543 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -55.876 33.538 -24.090 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -57.073 32.658 -25.047 1.00 0.00 H new ATOM 1310 N ARG A 76 -54.002 35.639 -23.686 1.00 0.00 N ATOM 1311 CA ARG A 76 -54.860 36.255 -22.689 1.00 0.00 C ATOM 1312 C ARG A 76 -56.247 36.525 -23.274 1.00 0.00 C ATOM 1313 O ARG A 76 -56.380 37.258 -24.253 1.00 0.00 O ATOM 1314 CB ARG A 76 -54.262 37.571 -22.186 1.00 0.00 C ATOM 1315 CG ARG A 76 -53.909 38.495 -23.354 1.00 0.00 C ATOM 1316 CD ARG A 76 -54.656 39.825 -23.245 1.00 0.00 C ATOM 1317 NE ARG A 76 -53.741 40.882 -22.758 1.00 0.00 N ATOM 1318 CZ ARG A 76 -54.146 42.097 -22.332 1.00 0.00 C ATOM 1319 NH1 ARG A 76 -55.456 42.421 -22.330 1.00 0.00 N ATOM 1320 NH2 ARG A 76 -53.241 42.964 -21.919 1.00 0.00 N ATOM 0 H ARG A 76 -54.208 35.905 -24.649 1.00 0.00 H new ATOM 0 HA ARG A 76 -54.944 35.562 -21.852 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -54.972 38.069 -21.526 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -53.368 37.367 -21.596 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -52.834 38.677 -23.366 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -54.161 38.008 -24.296 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -55.062 40.104 -24.217 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -55.501 39.722 -22.564 1.00 0.00 H new ATOM 0 HE ARG A 76 -52.741 40.679 -22.743 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -56.149 41.745 -22.652 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -55.753 43.341 -22.006 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -52.253 42.712 -21.925 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -53.530 43.887 -21.594 1.00 0.00 H new ATOM 1333 N LYS A 77 -57.246 35.917 -22.651 1.00 0.00 N ATOM 1334 CA LYS A 77 -58.618 36.082 -23.098 1.00 0.00 C ATOM 1335 C LYS A 77 -59.460 36.647 -21.951 1.00 0.00 C ATOM 1336 O LYS A 77 -59.266 36.276 -20.794 1.00 0.00 O ATOM 1337 CB LYS A 77 -59.158 34.769 -23.668 1.00 0.00 C ATOM 1338 CG LYS A 77 -60.666 34.855 -23.911 1.00 0.00 C ATOM 1339 CD LYS A 77 -61.053 34.154 -25.215 1.00 0.00 C ATOM 1340 CE LYS A 77 -60.712 35.023 -26.426 1.00 0.00 C ATOM 1341 NZ LYS A 77 -60.258 34.183 -27.556 1.00 0.00 N ATOM 0 H LYS A 77 -57.132 35.309 -21.840 1.00 0.00 H new ATOM 0 HA LYS A 77 -58.668 36.802 -23.915 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -58.648 34.538 -24.603 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -58.943 33.953 -22.978 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -61.199 34.399 -23.077 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -60.972 35.900 -23.951 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -60.530 33.200 -25.288 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -62.120 33.933 -25.210 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -61.587 35.601 -26.724 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -59.933 35.737 -26.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -60.031 34.789 -28.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -59.411 33.650 -27.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -61.013 33.518 -27.820 1.00 0.00 H new ATOM 1354 N LEU A 78 -60.376 37.533 -22.313 1.00 0.00 N ATOM 1355 CA LEU A 78 -61.247 38.152 -21.328 1.00 0.00 C ATOM 1356 C LEU A 78 -62.155 39.168 -22.024 1.00 0.00 C ATOM 1357 O LEU A 78 -63.325 39.306 -21.670 1.00 0.00 O ATOM 1358 CB LEU A 78 -60.425 38.746 -20.183 1.00 0.00 C ATOM 1359 CG LEU A 78 -59.202 39.570 -20.591 1.00 0.00 C ATOM 1360 CD1 LEU A 78 -59.333 41.018 -20.116 1.00 0.00 C ATOM 1361 CD2 LEU A 78 -57.910 38.917 -20.094 1.00 0.00 C ATOM 0 H LEU A 78 -60.534 37.837 -23.274 1.00 0.00 H new ATOM 0 HA LEU A 78 -61.895 37.405 -20.870 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -61.079 39.377 -19.582 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -60.091 37.931 -19.541 1.00 0.00 H new ATOM 0 HG LEU A 78 -59.153 39.592 -21.680 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -58.451 41.582 -20.419 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -60.221 41.468 -20.560 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -59.421 41.038 -19.030 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -57.056 39.523 -20.397 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -57.935 38.843 -19.007 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -57.818 37.919 -20.523 1.00 0.00 H new ATOM 1373 N ASN A 79 -61.581 39.853 -23.003 1.00 0.00 N ATOM 1374 CA ASN A 79 -62.324 40.852 -23.752 1.00 0.00 C ATOM 1375 C ASN A 79 -63.204 40.154 -24.791 1.00 0.00 C ATOM 1376 O ASN A 79 -63.113 40.447 -25.983 1.00 0.00 O ATOM 1377 CB ASN A 79 -61.379 41.801 -24.492 1.00 0.00 C ATOM 1378 CG ASN A 79 -61.980 43.204 -24.594 1.00 0.00 C ATOM 1379 OD1 ASN A 79 -63.115 43.450 -24.221 1.00 0.00 O ATOM 1380 ND2 ASN A 79 -61.158 44.108 -25.119 1.00 0.00 N ATOM 0 H ASN A 79 -60.611 39.736 -23.294 1.00 0.00 H new ATOM 0 HA ASN A 79 -62.928 41.423 -23.046 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -60.423 41.848 -23.970 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -61.178 41.414 -25.491 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -61.466 45.074 -25.230 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -60.220 43.835 -25.411 1.00 0.00 H new ATOM 1387 N ASP A 80 -64.035 39.245 -24.303 1.00 0.00 N ATOM 1388 CA ASP A 80 -64.930 38.504 -25.175 1.00 0.00 C ATOM 1389 C ASP A 80 -66.295 38.367 -24.499 1.00 0.00 C ATOM 1390 O ASP A 80 -67.312 38.773 -25.058 1.00 0.00 O ATOM 1391 CB ASP A 80 -64.393 37.097 -25.446 1.00 0.00 C ATOM 1392 CG ASP A 80 -65.380 36.150 -26.131 1.00 0.00 C ATOM 1393 OD1 ASP A 80 -65.548 36.180 -27.359 1.00 0.00 O ATOM 1394 OD2 ASP A 80 -66.001 35.344 -25.338 1.00 0.00 O ATOM 0 H ASP A 80 -64.107 39.005 -23.314 1.00 0.00 H new ATOM 0 HA ASP A 80 -65.011 39.047 -26.117 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -63.500 37.178 -26.066 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -64.084 36.653 -24.499 1.00 0.00 H new ATOM 1400 N GLN A 81 -66.274 37.793 -23.305 1.00 0.00 N ATOM 1401 CA GLN A 81 -67.498 37.597 -22.547 1.00 0.00 C ATOM 1402 C GLN A 81 -67.648 38.692 -21.489 1.00 0.00 C ATOM 1403 O GLN A 81 -66.918 38.707 -20.498 1.00 0.00 O ATOM 1404 CB GLN A 81 -67.530 36.208 -21.906 1.00 0.00 C ATOM 1405 CG GLN A 81 -68.151 35.181 -22.855 1.00 0.00 C ATOM 1406 CD GLN A 81 -67.519 33.801 -22.660 1.00 0.00 C ATOM 1407 OE1 GLN A 81 -66.423 33.660 -22.141 1.00 0.00 O ATOM 1408 NE2 GLN A 81 -68.267 32.795 -23.104 1.00 0.00 N ATOM 0 H GLN A 81 -65.428 37.457 -22.844 1.00 0.00 H new ATOM 0 HA GLN A 81 -68.342 37.664 -23.234 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -66.517 35.901 -21.644 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -68.102 36.244 -20.979 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -69.225 35.121 -22.679 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -68.014 35.505 -23.887 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -69.175 32.983 -23.528 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -67.932 31.835 -23.020 1.00 0.00 H new ATOM 1417 N ALA A 82 -68.599 39.581 -21.734 1.00 0.00 N ATOM 1418 CA ALA A 82 -68.854 40.677 -20.815 1.00 0.00 C ATOM 1419 C ALA A 82 -70.091 41.449 -21.279 1.00 0.00 C ATOM 1420 O ALA A 82 -70.033 42.662 -21.475 1.00 0.00 O ATOM 1421 CB ALA A 82 -67.612 41.567 -20.724 1.00 0.00 C ATOM 0 H ALA A 82 -69.203 39.565 -22.556 1.00 0.00 H new ATOM 0 HA ALA A 82 -69.058 40.298 -19.814 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -67.803 42.389 -20.035 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -66.769 40.979 -20.362 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -67.378 41.968 -21.710 1.00 0.00 H new ATOM 1427 N ASN A 83 -71.181 40.714 -21.441 1.00 0.00 N ATOM 1428 CA ASN A 83 -72.430 41.314 -21.878 1.00 0.00 C ATOM 1429 C ASN A 83 -73.350 41.505 -20.670 1.00 0.00 C ATOM 1430 O ASN A 83 -73.934 40.544 -20.173 1.00 0.00 O ATOM 1431 CB ASN A 83 -73.151 40.414 -22.884 1.00 0.00 C ATOM 1432 CG ASN A 83 -74.411 41.094 -23.423 1.00 0.00 C ATOM 1433 OD1 ASN A 83 -75.430 41.101 -22.569 1.00 0.00 O flip ATOM 1434 ND2 ASN A 83 -74.455 41.581 -24.541 1.00 0.00 N flip ATOM 0 H ASN A 83 -71.225 39.708 -21.277 1.00 0.00 H new ATOM 0 HA ASN A 83 -72.198 42.269 -22.350 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -72.481 40.175 -23.710 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -73.418 39.471 -22.407 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -73.636 41.541 -25.147 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -75.311 42.028 -24.869 1.00 0.00 H new ATOM 1441 N THR A 84 -73.449 42.752 -20.234 1.00 0.00 N ATOM 1442 CA THR A 84 -74.287 43.082 -19.094 1.00 0.00 C ATOM 1443 C THR A 84 -74.352 44.598 -18.900 1.00 0.00 C ATOM 1444 O THR A 84 -73.346 45.231 -18.587 1.00 0.00 O ATOM 1445 CB THR A 84 -73.741 42.337 -17.874 1.00 0.00 C ATOM 1446 OG1 THR A 84 -74.511 42.840 -16.786 1.00 0.00 O ATOM 1447 CG2 THR A 84 -72.305 42.743 -17.534 1.00 0.00 C ATOM 0 H THR A 84 -72.963 43.546 -20.650 1.00 0.00 H new ATOM 0 HA THR A 84 -75.316 42.762 -19.255 1.00 0.00 H new ATOM 0 HB THR A 84 -73.781 41.263 -18.057 1.00 0.00 H new ATOM 0 HG1 THR A 84 -74.223 42.408 -15.955 1.00 0.00 H new ATOM 0 HG21 THR A 84 -71.966 42.185 -16.661 1.00 0.00 H new ATOM 0 HG22 THR A 84 -71.654 42.523 -18.380 1.00 0.00 H new ATOM 0 HG23 THR A 84 -72.270 43.811 -17.318 1.00 0.00 H new ATOM 1455 N LEU A 85 -75.547 45.137 -19.096 1.00 0.00 N ATOM 1456 CA LEU A 85 -75.757 46.567 -18.947 1.00 0.00 C ATOM 1457 C LEU A 85 -77.243 46.882 -19.131 1.00 0.00 C ATOM 1458 O LEU A 85 -77.795 47.723 -18.425 1.00 0.00 O ATOM 1459 CB LEU A 85 -74.841 47.344 -19.894 1.00 0.00 C ATOM 1460 CG LEU A 85 -75.061 47.103 -21.388 1.00 0.00 C ATOM 1461 CD1 LEU A 85 -74.726 48.356 -22.201 1.00 0.00 C ATOM 1462 CD2 LEU A 85 -74.276 45.881 -21.869 1.00 0.00 C ATOM 0 H LEU A 85 -76.380 44.609 -19.357 1.00 0.00 H new ATOM 0 HA LEU A 85 -75.485 46.890 -17.942 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -74.966 48.409 -19.696 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -73.808 47.094 -19.654 1.00 0.00 H new ATOM 0 HG LEU A 85 -76.118 46.889 -21.547 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -74.891 48.157 -23.260 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -75.366 49.179 -21.882 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -73.682 48.625 -22.041 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -74.451 45.733 -22.935 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -73.212 46.040 -21.694 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -74.605 44.998 -21.321 1.00 0.00 H new ATOM 1474 N VAL A 86 -77.847 46.189 -20.086 1.00 0.00 N ATOM 1475 CA VAL A 86 -79.258 46.385 -20.372 1.00 0.00 C ATOM 1476 C VAL A 86 -79.588 47.877 -20.295 1.00 0.00 C ATOM 1477 O VAL A 86 -80.504 48.277 -19.578 1.00 0.00 O ATOM 1478 CB VAL A 86 -80.107 45.534 -19.425 1.00 0.00 C ATOM 1479 CG1 VAL A 86 -79.752 45.820 -17.965 1.00 0.00 C ATOM 1480 CG2 VAL A 86 -81.600 45.755 -19.680 1.00 0.00 C ATOM 0 H VAL A 86 -77.385 45.492 -20.671 1.00 0.00 H new ATOM 0 HA VAL A 86 -79.492 46.053 -21.383 1.00 0.00 H new ATOM 0 HB VAL A 86 -79.884 44.486 -19.625 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -80.369 45.202 -17.313 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -78.700 45.589 -17.794 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -79.933 46.872 -17.746 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -82.181 45.139 -18.994 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -81.845 46.805 -19.521 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -81.839 45.479 -20.707 1.00 0.00 H new ATOM 1490 N ASP A 87 -78.823 48.659 -21.042 1.00 0.00 N ATOM 1491 CA ASP A 87 -79.023 50.098 -21.067 1.00 0.00 C ATOM 1492 C ASP A 87 -77.965 50.740 -21.967 1.00 0.00 C ATOM 1493 O ASP A 87 -76.796 50.823 -21.595 1.00 0.00 O ATOM 1494 CB ASP A 87 -78.880 50.698 -19.667 1.00 0.00 C ATOM 1495 CG ASP A 87 -77.462 50.670 -19.093 1.00 0.00 C ATOM 1496 OD1 ASP A 87 -77.048 51.587 -18.367 1.00 0.00 O ATOM 1497 OD2 ASP A 87 -76.760 49.640 -19.425 1.00 0.00 O ATOM 0 H ASP A 87 -78.064 48.323 -21.635 1.00 0.00 H new ATOM 0 HA ASP A 87 -80.028 50.293 -21.442 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -79.224 51.732 -19.694 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -79.541 50.160 -18.988 1.00 0.00 H new ATOM 1503 N LEU A 88 -78.414 51.178 -23.134 1.00 0.00 N ATOM 1504 CA LEU A 88 -77.521 51.810 -24.090 1.00 0.00 C ATOM 1505 C LEU A 88 -77.479 53.316 -23.823 1.00 0.00 C ATOM 1506 O LEU A 88 -76.978 54.082 -24.645 1.00 0.00 O ATOM 1507 CB LEU A 88 -77.926 51.450 -25.520 1.00 0.00 C ATOM 1508 CG LEU A 88 -79.318 51.909 -25.960 1.00 0.00 C ATOM 1509 CD1 LEU A 88 -79.245 52.715 -27.258 1.00 0.00 C ATOM 1510 CD2 LEU A 88 -80.275 50.721 -26.076 1.00 0.00 C ATOM 0 H LEU A 88 -79.385 51.108 -23.439 1.00 0.00 H new ATOM 0 HA LEU A 88 -76.505 51.436 -23.968 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -77.192 51.878 -26.203 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -77.871 50.367 -25.630 1.00 0.00 H new ATOM 0 HG LEU A 88 -79.718 52.571 -25.192 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -80.248 53.029 -27.548 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -78.619 53.594 -27.105 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -78.816 52.097 -28.047 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -81.257 51.074 -26.390 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -79.891 50.015 -26.812 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -80.360 50.226 -25.108 1.00 0.00 H new ATOM 1522 N ALA A 89 -78.013 53.697 -22.672 1.00 0.00 N ATOM 1523 CA ALA A 89 -78.043 55.097 -22.287 1.00 0.00 C ATOM 1524 C ALA A 89 -79.209 55.791 -22.995 1.00 0.00 C ATOM 1525 O ALA A 89 -79.009 56.771 -23.712 1.00 0.00 O ATOM 1526 CB ALA A 89 -76.695 55.745 -22.611 1.00 0.00 C ATOM 0 H ALA A 89 -78.429 53.059 -21.993 1.00 0.00 H new ATOM 0 HA ALA A 89 -78.203 55.197 -21.213 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -76.718 56.796 -22.322 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -75.904 55.234 -22.061 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -76.502 55.667 -23.681 1.00 0.00 H new ATOM 1532 N LYS A 90 -80.400 55.256 -22.770 1.00 0.00 N ATOM 1533 CA LYS A 90 -81.597 55.812 -23.377 1.00 0.00 C ATOM 1534 C LYS A 90 -82.832 55.180 -22.731 1.00 0.00 C ATOM 1535 O LYS A 90 -83.151 54.022 -22.995 1.00 0.00 O ATOM 1536 CB LYS A 90 -81.549 55.653 -24.898 1.00 0.00 C ATOM 1537 CG LYS A 90 -82.292 56.797 -25.592 1.00 0.00 C ATOM 1538 CD LYS A 90 -81.517 58.109 -25.468 1.00 0.00 C ATOM 1539 CE LYS A 90 -81.429 58.825 -26.817 1.00 0.00 C ATOM 1540 NZ LYS A 90 -81.503 60.291 -26.633 1.00 0.00 N ATOM 0 H LYS A 90 -80.562 54.443 -22.175 1.00 0.00 H new ATOM 0 HA LYS A 90 -81.655 56.885 -23.193 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -80.512 55.632 -25.233 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -81.995 54.700 -25.182 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -82.438 56.555 -26.645 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -83.282 56.912 -25.151 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -82.006 58.757 -24.740 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -80.513 57.908 -25.093 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -80.495 58.562 -27.314 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -82.240 58.493 -27.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -81.442 60.761 -27.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -82.405 60.539 -26.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -80.714 60.606 -26.032 1.00 0.00 H new ATOM 1553 N THR A 91 -83.493 55.969 -21.897 1.00 0.00 N ATOM 1554 CA THR A 91 -84.685 55.502 -21.211 1.00 0.00 C ATOM 1555 C THR A 91 -85.794 56.553 -21.293 1.00 0.00 C ATOM 1556 O THR A 91 -85.930 57.387 -20.400 1.00 0.00 O ATOM 1557 CB THR A 91 -84.295 55.141 -19.776 1.00 0.00 C ATOM 1558 OG1 THR A 91 -83.725 56.340 -19.259 1.00 0.00 O ATOM 1559 CG2 THR A 91 -83.149 54.129 -19.718 1.00 0.00 C ATOM 0 H THR A 91 -83.225 56.929 -21.681 1.00 0.00 H new ATOM 0 HA THR A 91 -85.090 54.609 -21.687 1.00 0.00 H new ATOM 0 HB THR A 91 -85.163 54.737 -19.255 1.00 0.00 H new ATOM 0 HG1 THR A 91 -84.284 57.104 -19.513 1.00 0.00 H new ATOM 0 HG21 THR A 91 -82.912 53.907 -18.678 1.00 0.00 H new ATOM 0 HG22 THR A 91 -83.448 53.212 -20.225 1.00 0.00 H new ATOM 0 HG23 THR A 91 -82.270 54.546 -20.210 1.00 0.00 H new ATOM 1567 N GLN A 92 -86.558 56.477 -22.373 1.00 0.00 N ATOM 1568 CA GLN A 92 -87.651 57.412 -22.583 1.00 0.00 C ATOM 1569 C GLN A 92 -88.717 56.788 -23.486 1.00 0.00 C ATOM 1570 O GLN A 92 -88.887 57.204 -24.631 1.00 0.00 O ATOM 1571 CB GLN A 92 -87.140 58.730 -23.168 1.00 0.00 C ATOM 1572 CG GLN A 92 -86.652 59.668 -22.062 1.00 0.00 C ATOM 1573 CD GLN A 92 -87.207 61.081 -22.256 1.00 0.00 C ATOM 1574 OE1 GLN A 92 -86.635 61.911 -22.944 1.00 0.00 O ATOM 1575 NE2 GLN A 92 -88.349 61.306 -21.614 1.00 0.00 N ATOM 0 H GLN A 92 -86.442 55.783 -23.112 1.00 0.00 H new ATOM 0 HA GLN A 92 -88.105 57.633 -21.617 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -86.327 58.531 -23.866 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -87.936 59.213 -23.735 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -86.961 59.282 -21.091 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -85.562 59.698 -22.061 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -88.774 60.566 -21.055 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -88.800 62.218 -21.680 1.00 0.00 H new TER 1584 GLN A 92